A0A060WVH0_ONCMY Loading...

PABPN1 like, cytoplasmic

AlphaFold DB , UniProt , Accession A0A060WVH0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene pabpn1l, Length 250 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
1M38.2Very low48.3Very low249 Ų249173.3 Ų173.3100%1.22783%0.829SS**  0127.40-64-176-175.700107
2A43.4Very low47.9Very low87 Ų87164.1 Ų164.172%0.71981%0.814SS**  cis-157.9131.3-1500000103.5
3E54.1Low48Very low188 Ų188165.7 Ų165.788%0.87982%0.818SS**  trans-75.1121.5172.4-168.2177.3-179.600107.5
4Q54.5Low47.8Very low183 Ų183166.3 Ų166.386%0.85582%0.824SS**  trans-115.9102.4170.8-83.7-178.411.400109.4
5R57.6Low47.4Very low210 Ų210163.5 Ų163.579%0.79282%0.82SS**  trans-53.3142.1152.4-72.8175167.4-176.8-6.5110.4
6Q51.8Low47.4Very low188 Ų188157.6 Ų157.688%0.87981%0.814SS**  trans-151.284.9143.9-117.7163.512.500109.5
7D48.6Very low47Very low120 Ų120156.2 Ų156.264%0.64281%0.808SS**  42.598.1124.8-53.8-18.6000118.6Y9D7-Y9 PolarHBondContact O-N 3.38Å
8M43.3Very low47.2Very low159 Ų159155.4 Ų155.478%0.78380%0.799SS**  trans-34.4104.5146.9-167.3-167.584.700113.4I10M8-I10 HydrophobicContact CE-CD1 4.16Å; M8-I10 HydrophobicContact CG-CD1 4.05Å; M8-I10 HydrophobicContact CG-CG1 4.03Å; M8-I10 HydrophobicContact SD-CD1 3.98Å
9Y40.5Very low47.4Very low212 Ų212157.3 Ų157.383%0.83180%0.797SS**  trans-93.7103.9157.8-96.7-98.3000108.3D7D7-Y9 PolarHBondContact O-N 3.38Å
10I49Very low47.6Very low129 Ų129156.5 Ų156.566%0.66279%0.791SS**  trans-105.7108.9160.2-66.4173.3000105M8 G12M8-I10 HydrophobicContact CE-CD1 4.16Å; M8-I10 HydrophobicContact CG-CD1 4.05Å; M8-I10 HydrophobicContact CG-CG1 4.03Å; M8-I10 HydrophobicContact SD-CD1 3.98Å; I10-G12 VanDerWaalsContact C-N 3.33Å; I10-G12 PolarHBondContact O-N 3.26Å
11E50.2Low48Very low181 Ų181156.5 Ų156.585%0.84679%0.789SS**  trans-68.195.1167.7-68.7-177.7162.600107.6E13E11-E13 PolarHBondContact O-N 3.26Å
12G43.1Very low49.2Very low63 Ų63148.7 Ų148.765%0.64975%0.752SS**  trans-76.7112.6168.200000109I10 L14I10-G12 VanDerWaalsContact C-N 3.33Å; I10-G12 PolarHBondContact O-N 3.26Å; G12-L14 PolarHBondContact O-N 3.45Å
13E49.9Very low50.4Low185 Ų185149 Ų14986%0.86475%0.747SS**  trans-51.2122.3165.8-67.8-179.6148.900109.5E11 T15E11-E13 PolarHBondContact O-N 3.26Å; E13-T15 VanDerWaalsContact C-N 3.31Å; E13-T15 PolarHBondContact O-N 2.9Å
14L44.5Very low50.6Low174 Ų174146.8 Ų146.891%0.91174%0.736SS**  trans-64.692.3169.5-78.6155.8000108G12 G16G12-L14 PolarHBondContact O-N 3.45Å; L14-G16 PolarHBondContact O-N 3Å; L14-G16 VanDerWaalsContact O-N 3.07Å
15T42.6Very low50.7Low125 Ų125143.6 Ų143.677%0.76773%0.725SS**  trans-59.3111.3164.147.90000107.3E13 D17E13-T15 VanDerWaalsContact C-N 3.31Å; E13-T15 PolarHBondContact O-N 2.9Å; T15-D17 PolarHBondContact O-N 3.07Å
16G46.8Very low51.4Low69 Ų69139.6 Ų139.671%0.71172%0.715SS**  trans-51.7127.2176.400000110L14 H18L14-G16 PolarHBondContact O-N 3Å; L14-G16 VanDerWaalsContact O-N 3.07Å; G16-H18 VanDerWaalsContact C-N 3.25Å; G16-H18 PolarHBondContact O-N 3.26Å
17D41Very low52.5Low133 Ų133133.1 Ų133.171%0.71169%0.694SS**  trans-59.693.5169.9-66.7-46000108T15 Y19T15-D17 PolarHBondContact O-N 3.07Å; D17-Y19 HydrophobicContact CB-CD2 3.7Å; D17-Y19 HydrophobicContact CB-CE2 3.59Å; D17-Y19 PolarHBondContact O-N 3.27Å
18H49.8Very low53.8Low143 Ų143132.2 Ų132.266%0.66269%0.688SS**  trans-71.384160.6-163.3-22.8000105.3G16 M20G16-H18 VanDerWaalsContact C-N 3.25Å; G16-H18 PolarHBondContact O-N 3.26Å; H18-M20 PolarHBondContact CE1-SD 3.41Å; H18-M20 WeakPolarHBondContact NE2-CE 3.36Å; H18-M20 PolarHBondContact O-N 2.79Å
19Y52.2Low55.5Low191 Ų191131.7 Ų131.775%0.74968%0.681SS**  trans-57.989160.9-79.5-92.4000106.1D17 E21D17-Y19 HydrophobicContact CB-CD2 3.7Å; D17-Y19 HydrophobicContact CB-CE2 3.59Å; D17-Y19 PolarHBondContact O-N 3.27Å; Y19-E21 VanDerWaalsContact C-N 3.31Å; Y19-E21 PolarHBondContact O-N 2.76Å
20M51.3Low57.6Low140 Ų140123.9 Ų123.969%0.6966%0.661SS**  trans-64.1103.4161.6-69.5-70.3-174.100104.2H18 D22H18-M20 PolarHBondContact CE1-SD 3.41Å; H18-M20 WeakPolarHBondContact NE2-CE 3.36Å; H18-M20 PolarHBondContact O-N 2.79Å; M20-D22 VanDerWaalsContact C-N 3.35Å; M20-D22 PolarHBondContact O-N 2.9Å
21E55.1Low59Low158 Ų158127 Ų12774%0.73866%0.664SS**  trans-53.2106166.4-82168.9147.900106.5Y19 P23Y19-E21 VanDerWaalsContact C-N 3.31Å; Y19-E21 PolarHBondContact O-N 2.76Å; E21-P23 WeakPolarHBondContact O-CD 3.39Å
22D63.9Low60.7Low85 Ų85121.5 Ų121.546%0.45564%0.643SS.*  trans-59.6120.6-179.4-151.9-21.3000106.6M20 E24 L25 E26M20-D22 VanDerWaalsContact C-N 3.35Å; M20-D22 PolarHBondContact O-N 2.9Å; D22-E24 PolarHBondContact O-N 3.05Å; D22-L25 HydrophobicContact CB-CB 4.31Å; D22-L25 HydrophobicContact CB-CD1 3.8Å; D22-L25 HydrophobicContact CB-CG 4.25Å; D22-L25 WeakPolarHBondContact O-CA 3.4Å; D22-L25 WeakPolarHBondContact O-CB 3.18Å; D22-L25 PolarHBondContact O-N 2.9Å; D22-E26 PolarHBondContact O-N 3.41Å
23P69.4Low62.6Low94 Ų94123.5 Ų123.561%0.6164%0.635SS**Hα-helixtrans-57.6-21-175.719.7-32.8000112.7E21 A27E21-P23 WeakPolarHBondContact O-CD 3.39Å; P23-A27 WeakPolarHBondContact O-CB 3.47Å; P23-A27 PolarHBondContact O-N 2.91Å; P23-A27 VanDerWaalsContact O-N 3.09Å
24E57.3Low64.3Low140 Ų140121 Ų12165%0.65462%0.623SS**Hα-helixtrans-70.1-37.3170.1-72.8-167154.300113.5D22 A27 I28D22-E24 PolarHBondContact O-N 3.05Å; E24-A27 PolarHBondContact O-N 3.45Å; E24-I28 WeakPolarHBondContact O-CB 3.38Å; E24-I28 WeakPolarHBondContact O-CD1 3.38Å; E24-I28 WeakPolarHBondContact O-CG1 3.46Å; E24-I28 PolarHBondContact O-N 3.29Å
25L56.8Low65.8Low116 Ų116118 Ų11861%0.60761%0.606SS**Hα-helixtrans-67.6-37.8176.1-82.8160.3000111.3D22 I28 K29D22-L25 HydrophobicContact CB-CB 4.31Å; D22-L25 HydrophobicContact CB-CD1 3.8Å; D22-L25 HydrophobicContact CB-CG 4.25Å; D22-L25 WeakPolarHBondContact O-CA 3.4Å; D22-L25 WeakPolarHBondContact O-CB 3.18Å; D22-L25 PolarHBondContact O-N 2.9Å; L25-I28 PolarHBondContact O-N 2.78Å; L25-K29 VanDerWaalsContact O-CB 3.23Å; L25-K29 WeakPolarHBondContact O-CB 3.35Å; L25-K29 PolarHBondContact O-N 2.97Å
26E72.3Confident67.8Low126 Ų126117.3 Ų117.359%0.58959%0.594SS**Hα-helixtrans-68.3-40.6175.1-163.4173.5-167.200111.4D22 I28 K29 A30D22-E26 PolarHBondContact O-N 3.41Å; E26-I28 PolarHBondContact O-N 3.09Å; E26-K29 PolarHBondContact O-N 3.29Å; E26-A30 WeakPolarHBondContact O-CB 3.33Å; E26-A30 PolarHBondContact O-N 2.87Å
27A76.1Confident69.6Low53 Ų53119 Ų11944%0.43858%0.584SS.*Hα-helixtrans-63.8-39.7173.700000112.6P23 E24 R31P23-A27 WeakPolarHBondContact O-CB 3.47Å; P23-A27 PolarHBondContact O-N 2.91Å; P23-A27 VanDerWaalsContact O-N 3.09Å; E24-A27 PolarHBondContact O-N 3.45Å; A27-R31 WeakPolarHBondContact O-CG 3.23Å; A27-R31 PolarHBondContact O-N 3.34Å; A27-R31 VanDerWaalsContact O-N 3.14Å
28I74.6Confident71.4Confident100 Ų100119.1 Ų119.151%0.51358%0.58SS.*Hα-helixtrans-68.1-42.5176-68.9162.7000110.4E24 L25 E26 A30 R31 V32E24-I28 WeakPolarHBondContact O-CB 3.38Å; E24-I28 WeakPolarHBondContact O-CD1 3.38Å; E24-I28 WeakPolarHBondContact O-CG1 3.46Å; E24-I28 PolarHBondContact O-N 3.29Å; L25-I28 PolarHBondContact O-N 2.78Å; E26-I28 PolarHBondContact O-N 3.09Å; I28-A30 VanDerWaalsContact C-N 3.35Å; I28-A30 PolarHBondContact O-N 2.94Å; I28-R31 PolarHBondContact O-N 2.99Å; I28-V32 WeakPolarHBondContact O-CG2 3.35Å; I28-V32 PolarHBondContact O-N 2.91Å
29K79.9Confident73Confident149 Ų149118.4 Ų118.465%0.64858%0.577SS**Hα-helixtrans-63.8-40.2178.3-157.8177.4-174.4-175.30111.6L25 E26 V32 Q33L25-K29 VanDerWaalsContact O-CB 3.23Å; L25-K29 WeakPolarHBondContact O-CB 3.35Å; L25-K29 PolarHBondContact O-N 2.97Å; E26-K29 PolarHBondContact O-N 3.29Å; K29-V32 PolarHBondContact O-N 3.14Å; K29-Q33 VanDerWaalsContact O-CB 3.32Å; K29-Q33 WeakPolarHBondContact O-CB 3.32Å; K29-Q33 PolarHBondContact O-N 3.49Å
30A84.1Confident74.6Confident48 Ų48118.4 Ų118.440%0.39758%0.575SS.*Hα-helixtrans-62.8-42.8174.400000112.4E26 I28 Q33 E34E26-A30 WeakPolarHBondContact O-CB 3.33Å; E26-A30 PolarHBondContact O-N 2.87Å; I28-A30 VanDerWaalsContact C-N 3.35Å; I28-A30 PolarHBondContact O-N 2.94Å; A30-Q33 PolarHBondContact O-N 3.41Å; A30-E34 PolarHBondContact O-N 3.23Å
31R77.6Confident76Confident195 Ų195117 Ų11774%0.73657%0.57SS**Hα-helixtrans-68.7-34.4177.5-67.6-176.796.5-177.37.5113.3A27 I28 M35A27-R31 WeakPolarHBondContact O-CG 3.23Å; A27-R31 PolarHBondContact O-N 3.34Å; A27-R31 VanDerWaalsContact O-N 3.14Å; I28-R31 PolarHBondContact O-N 2.99Å; R31-M35 PolarHBondContact O-N 2.93Å
32V85.8Confident77.3Confident65 Ų65118.4 Ų118.439%0.39457%0.569SS.*Hα-helixtrans-67.1-42.21731710000110.3I28 K29 M35 E36I28-V32 WeakPolarHBondContact O-CG2 3.35Å; I28-V32 PolarHBondContact O-N 2.91Å; K29-V32 PolarHBondContact O-N 3.14Å; V32-M35 PolarHBondContact O-N 2.88Å; V32-E36 HydrophobicContact CG1-CG 4.43Å; V32-E36 WeakPolarHBondContact O-CG 3.42Å; V32-E36 PolarHBondContact O-N 3.5Å
33Q84.1Confident78.2Confident105 Ų105117.1 Ų117.149%0.49157%0.569SS.*Hα-helixtrans-67.5-39.8-179.8-164.9174.4-10.600112.4K29 A30 M35 E36 E37K29-Q33 VanDerWaalsContact O-CB 3.32Å; K29-Q33 WeakPolarHBondContact O-CB 3.32Å; K29-Q33 PolarHBondContact O-N 3.49Å; A30-Q33 PolarHBondContact O-N 3.41Å; Q33-M35 VanDerWaalsContact C-N 3.31Å; Q33-M35 PolarHBondContact O-N 3.35Å; Q33-E36 PolarHBondContact O-N 3.44Å; Q33-E37 WeakPolarHBondContact O-CB 3.35Å; Q33-E37 WeakPolarHBondContact O-CG 3.44Å; Q33-E37 PolarHBondContact O-N 3.26Å
34E85.2Confident79Confident133 Ų133117.1 Ų117.162%0.62157%0.568SS**Hα-helixtrans-59.8-41.7171.8-79.5-178.116000111.9A30 E37 E38A30-E34 PolarHBondContact O-N 3.23Å; E34-E37 PolarHBondContact O-N 2.86Å; E34-E38 WeakPolarHBondContact O-CB 3.44Å; E34-E38 PolarHBondContact O-N 2.9Å
35M75.6Confident79.6Confident110 Ų110116.7 Ų116.754%0.54257%0.566SS.*Hα-helixtrans-69.6-38.9178.8-160.61757200111.9R31 V32 Q33 E38 E39R31-M35 PolarHBondContact O-N 2.93Å; V32-M35 PolarHBondContact O-N 2.88Å; Q33-M35 VanDerWaalsContact C-N 3.31Å; Q33-M35 PolarHBondContact O-N 3.35Å; M35-E38 PolarHBondContact O-N 3.38Å; M35-E39 WeakPolarHBondContact O-CB 3.43Å; M35-E39 WeakPolarHBondContact O-CG 3.29Å; M35-E39 PolarHBondContact O-N 3.3Å
36E84.8Confident80.3Confident111 Ų111118 Ų11852%0.51956%0.563SS.*Hα-helixtrans-64.2-39.8172.5-76.6-176.5168.300111.7V32 Q33 E39 R40V32-E36 HydrophobicContact CG1-CG 4.43Å; V32-E36 WeakPolarHBondContact O-CG 3.42Å; V32-E36 PolarHBondContact O-N 3.5Å; Q33-E36 PolarHBondContact O-N 3.44Å; E36-E39 PolarHBondContact O-N 2.88Å; E36-R40 WeakPolarHBondContact O-CB 3.2Å; E36-R40 WeakPolarHBondContact O-CG 3.35Å; E36-R40 PolarHBondContact O-N 3.39Å
37E84.1Confident80.6Confident105 Ų105116.5 Ų116.549%0.49156%0.557SS.*Hα-helixtrans-67.1-40.5175.6-75.6179.6-173.100111.8Q33 E34 R40 L41Q33-E37 WeakPolarHBondContact O-CB 3.35Å; Q33-E37 WeakPolarHBondContact O-CG 3.44Å; Q33-E37 PolarHBondContact O-N 3.26Å; E34-E37 PolarHBondContact O-N 2.86Å; E37-R40 PolarHBondContact O-N 3.35Å; E37-L41 WeakPolarHBondContact O-CB 3.45Å; E37-L41 VanDerWaalsContact O-CG 3.29Å; E37-L41 WeakPolarHBondContact O-CG 3.3Å; E37-L41 PolarHBondContact O-N 3.42Å
38E79.1Confident80.5Confident135 Ų135116.5 Ų116.563%0.63156%0.557SS**Hα-helixtrans-64.5-43.2174.7-166.1-176.7171.300111.6E34 M35 L41 R42E34-E38 WeakPolarHBondContact O-CB 3.44Å; E34-E38 PolarHBondContact O-N 2.9Å; M35-E38 PolarHBondContact O-N 3.38Å; E38-L41 PolarHBondContact O-N 3.15Å; E38-R42 VanDerWaalsContact O-CB 3.26Å; E38-R42 WeakPolarHBondContact O-CB 3.43Å; E38-R42 PolarHBondContact O-N 2.86Å
39E83.8Confident80Confident128 Ų128114.6 Ų114.660%0.59855%0.55SS*.Hα-helixtrans-64.2-40174.4-79.7-168.5160.800112.1M35 E36 R42 A43M35-E39 WeakPolarHBondContact O-CB 3.43Å; M35-E39 WeakPolarHBondContact O-CG 3.29Å; M35-E39 PolarHBondContact O-N 3.3Å; E36-E39 PolarHBondContact O-N 2.88Å; E39-R42 PolarHBondContact O-N 3.38Å; E39-A43 VanDerWaalsContact O-CB 3.28Å; E39-A43 WeakPolarHBondContact O-CB 3.25Å; E39-A43 PolarHBondContact O-N 3.49Å
40R85.3Confident79.6Confident190 Ų190111.5 Ų111.572%0.71754%0.537SS*.Hα-helixtrans-64.7-44.5175-75.9179.878.7174.65.1111.6E36 E37 R42 A43 V44E36-R40 WeakPolarHBondContact O-CB 3.2Å; E36-R40 WeakPolarHBondContact O-CG 3.35Å; E36-R40 PolarHBondContact O-N 3.39Å; E37-R40 PolarHBondContact O-N 3.35Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 2.92Å; R40-A43 PolarHBondContact O-N 2.88Å; R40-V44 WeakPolarHBondContact O-CB 3.28Å; R40-V44 VanDerWaalsContact O-CG2 3.25Å; R40-V44 WeakPolarHBondContact O-CG2 3.26Å; R40-V44 PolarHBondContact O-N 2.89Å
41L81.1Confident79Confident112 Ų112116.7 Ų116.759%0.58655%0.547SS*.Hα-helixtrans-61.1-43.2174.9-75.3166.7000111.1E37 E38 V44 Q45E37-L41 WeakPolarHBondContact O-CB 3.45Å; E37-L41 VanDerWaalsContact O-CG 3.29Å; E37-L41 WeakPolarHBondContact O-CG 3.3Å; E37-L41 PolarHBondContact O-N 3.42Å; E38-L41 PolarHBondContact O-N 3.15Å; L41-V44 PolarHBondContact O-N 3.48Å; L41-Q45 WeakPolarHBondContact O-CB 3.47Å; L41-Q45 VanDerWaalsContact O-CG 3.3Å; L41-Q45 WeakPolarHBondContact O-CG 3.48Å; L41-Q45 PolarHBondContact O-N 3.36Å
42R82.1Confident78.3Confident187 Ų187114.3 Ų114.371%0.70654%0.544SS*.Hα-helixtrans-66.1-39.3177.6-171.3175-178.2-179.90.3112.5E38 E39 R40 Q45 Y46E38-R42 VanDerWaalsContact O-CB 3.26Å; E38-R42 WeakPolarHBondContact O-CB 3.43Å; E38-R42 PolarHBondContact O-N 2.86Å; E39-R42 PolarHBondContact O-N 3.38Å; R40-R42 VanDerWaalsContact C-N 3.32Å; R40-R42 PolarHBondContact O-N 2.92Å; R42-Q45 PolarHBondContact O-N 2.93Å; R42-Y46 WeakPolarHBondContact O-CB 3.4Å; R42-Y46 PolarHBondContact O-N 3.28Å
43A84.1Confident77.2Confident57 Ų57116.3 Ų116.347%0.47155%0.551SS.*Hα-helixtrans-65.6-43.117500000111.5E39 R40 Q45 Y46 E47E39-A43 VanDerWaalsContact O-CB 3.28Å; E39-A43 WeakPolarHBondContact O-CB 3.25Å; E39-A43 PolarHBondContact O-N 3.49Å; R40-A43 PolarHBondContact O-N 2.88Å; A43-Q45 PolarHBondContact O-N 3.36Å; A43-Y46 PolarHBondContact O-N 3.02Å; A43-E47 WeakPolarHBondContact O-CB 3.25Å; A43-E47 PolarHBondContact O-N 3.38Å
44V84.9Confident76.3Confident94 Ų94117.1 Ų117.157%0.5756%0.555SS**Hα-helixtrans-62.6-42.3175.5169.30000111.1R40 L41 A48R40-V44 WeakPolarHBondContact O-CB 3.28Å; R40-V44 VanDerWaalsContact O-CG2 3.25Å; R40-V44 WeakPolarHBondContact O-CG2 3.26Å; R40-V44 PolarHBondContact O-N 2.89Å; L41-V44 PolarHBondContact O-N 3.48Å; V44-A48 WeakPolarHBondContact O-CB 3.37Å; V44-A48 PolarHBondContact O-N 2.8Å
45Q71.5Confident75.2Confident131 Ų131113.5 Ų113.561%0.61255%0.548SS*.Hα-helixtrans-64.2-44.7174.8-73.4179.16.800111.7L41 R42 A43 A48 T49L41-Q45 WeakPolarHBondContact O-CB 3.47Å; L41-Q45 VanDerWaalsContact O-CG 3.3Å; L41-Q45 WeakPolarHBondContact O-CG 3.48Å; L41-Q45 PolarHBondContact O-N 3.36Å; R42-Q45 PolarHBondContact O-N 2.93Å; A43-Q45 PolarHBondContact O-N 3.36Å; Q45-A48 PolarHBondContact O-N 2.67Å; Q45-T49 WeakPolarHBondContact O-CG2 3.46Å; Q45-T49 PolarHBondContact O-N 2.8Å; Q45-T49 PolarHBondContact O-OG1 3.02Å
46Y70.2Confident74.4Confident143 Ų143109.6 Ų109.656%0.56153%0.533SS*.Hα-helixtrans-61.6-45.5177.7-173.5-102.1000111.4R42 A43 A48 T49 E50R42-Y46 WeakPolarHBondContact O-CB 3.4Å; R42-Y46 PolarHBondContact O-N 3.28Å; A43-Y46 PolarHBondContact O-N 3.02Å; Y46-A48 PolarHBondContact O-N 3.14Å; Y46-T49 WeakPolarHBondContact CA-OG1 2.91Å; Y46-T49 PolarHBondContact O-N 3.35Å; Y46-T49 PolarHBondContact O-OG1 3.25Å; Y46-E50 HydrophobicContact CD1-CG 4Å; Y46-E50 HydrophobicContact CE1-CG 3.53Å; Y46-E50 HydrophobicContact CE2-CG 4.49Å; Y46-E50 WeakPolarHBondContact O-CB 3.42Å; Y46-E50 WeakPolarHBondContact O-CG 3.48Å; Y46-E50 PolarHBondContact O-N 3.04Å; Y46-E50 PolarHBondContact OH-OE1 3.47Å
47E79.6Confident73.1Confident96 Ų96105.1 Ų105.145%0.44952%0.517SS..Hα-helixtrans-62.4-40.4176.5-171.1-179.8-172.700112.3A43 T49 E50 R51A43-E47 WeakPolarHBondContact O-CB 3.25Å; A43-E47 PolarHBondContact O-N 3.38Å; E47-T49 VanDerWaalsContact C-N 3.35Å; E47-E50 PolarHBondContact O-N 3.5Å; E47-R51 WeakPolarHBondContact O-CB 3.18Å; E47-R51 WeakPolarHBondContact O-CG 3.28Å; E47-R51 PolarHBondContact O-N 2.93Å; E47-R51 IonicContact OE1-CZ 3.66Å; E47-R51 VanDerWaalsContact OE1-CZ 3.32Å; E47-R51 IonicContact OE1-NE 2.74Å; E47-R51 IonicContact OE1-NH2 3.92Å; E47-R51 PolarHBondContact OE1-NH2 3.29Å; E47-R51 IonicContact OE2-NH2 2.67Å
48A73.3Confident71.8Confident53 Ų53104.9 Ų104.944%0.43852%0.517SS..Hα-helixtrans-62.9-41.2174.500000111.9V44 Q45 Y46 Q52V44-A48 WeakPolarHBondContact O-CB 3.37Å; V44-A48 PolarHBondContact O-N 2.8Å; Q45-A48 PolarHBondContact O-N 2.67Å; Y46-A48 PolarHBondContact O-N 3.14Å; A48-Q52 PolarHBondContact O-N 3.48Å
49T65.2Low70.7Confident60 Ų60101 Ų10137%0.36850%0.498SS..Hα-helixtrans-67.6-41.7175.861.50000112.2Q45 Y46 E47 Q52 I53Q45-T49 WeakPolarHBondContact O-CG2 3.46Å; Q45-T49 PolarHBondContact O-N 2.8Å; Q45-T49 PolarHBondContact O-OG1 3.02Å; Y46-T49 WeakPolarHBondContact CA-OG1 2.91Å; Y46-T49 PolarHBondContact O-N 3.35Å; Y46-T49 PolarHBondContact O-OG1 3.25Å; E47-T49 VanDerWaalsContact C-N 3.35Å; T49-Q52 WeakPolarHBondContact O-CB 3.21Å; T49-Q52 PolarHBondContact O-N 3.31Å; T49-I53 WeakPolarHBondContact O-CB 3.35Å; T49-I53 WeakPolarHBondContact O-CD1 3.48Å; T49-I53 WeakPolarHBondContact O-CG1 3.38Å; T49-I53 PolarHBondContact O-N 3.29Å
50E70.9Confident69.3Low83 Ų83101.8 Ų101.839%0.38850%0.497SS..Hα-helixtrans-59.7-47.6175.3-82.2-92.1152.800111Y46 E47 Q52 I53 Q54Y46-E50 HydrophobicContact CD1-CG 4Å; Y46-E50 HydrophobicContact CE1-CG 3.53Å; Y46-E50 HydrophobicContact CE2-CG 4.49Å; Y46-E50 WeakPolarHBondContact O-CB 3.42Å; Y46-E50 WeakPolarHBondContact O-CG 3.48Å; Y46-E50 PolarHBondContact O-N 3.04Å; Y46-E50 PolarHBondContact OH-OE1 3.47Å; E47-E50 PolarHBondContact O-N 3.5Å; E50-Q52 VanDerWaalsContact C-N 3.32Å; E50-Q52 PolarHBondContact O-N 2.97Å; E50-I53 CarbonylContact O-C 3.46Å; E50-I53 PolarHBondContact O-N 3.43Å; E50-I53 VanDerWaalsContact O-N 3.15Å; E50-Q54 VanDerWaalsContact O-CB 3.28Å; E50-Q54 WeakPolarHBondContact O-CB 3.15Å; E50-Q54 PolarHBondContact O-N 3.49Å
51R71.8Confident68.2Low158 Ų15897.9 Ų97.960%0.59649%0.494SS*.Hα-helixtrans-60.2-40.9176.1-73.1176.8-174173.51.2112E47 Q54 A55E47-R51 WeakPolarHBondContact O-CB 3.18Å; E47-R51 WeakPolarHBondContact O-CG 3.28Å; E47-R51 PolarHBondContact O-N 2.93Å; E47-R51 IonicContact OE1-CZ 3.66Å; E47-R51 VanDerWaalsContact OE1-CZ 3.32Å; E47-R51 IonicContact OE1-NE 2.74Å; E47-R51 IonicContact OE1-NH2 3.92Å; E47-R51 PolarHBondContact OE1-NH2 3.29Å; E47-R51 IonicContact OE2-NH2 2.67Å; R51-Q54 PolarHBondContact O-N 3.5Å; R51-A55 WeakPolarHBondContact O-CB 3.29Å; R51-A55 PolarHBondContact O-N 3.45Å
52Q61.7Low67.7Low145 Ų14596.1 Ų96.168%0.67848%0.484SS*.Hα-helixtrans-64.7-43.2173.4-97.7178.3-13.900112.5A48 T49 E50 Q54 A55 A56A48-Q52 PolarHBondContact O-N 3.48Å; T49-Q52 WeakPolarHBondContact O-CB 3.21Å; T49-Q52 PolarHBondContact O-N 3.31Å; E50-Q52 VanDerWaalsContact C-N 3.32Å; E50-Q52 PolarHBondContact O-N 2.97Å; Q52-Q54 VanDerWaalsContact C-N 3.31Å; Q52-Q54 PolarHBondContact O-N 3.44Å; Q52-A55 PolarHBondContact O-N 3.28Å; Q52-A56 WeakPolarHBondContact O-CB 3.42Å; Q52-A56 PolarHBondContact O-N 2.96Å
53I63Low67.7Low107 Ų10790.8 Ų90.855%0.54947%0.472SS..Hα-helixtrans-66.5-34.6178.2-69.9164.3000110.8T49 E50 G57T49-I53 WeakPolarHBondContact O-CB 3.35Å; T49-I53 WeakPolarHBondContact O-CD1 3.48Å; T49-I53 WeakPolarHBondContact O-CG1 3.38Å; T49-I53 PolarHBondContact O-N 3.29Å; E50-I53 CarbonylContact O-C 3.46Å; E50-I53 PolarHBondContact O-N 3.43Å; E50-I53 VanDerWaalsContact O-N 3.15Å; I53-G57 VanDerWaalsContact O-CA 3.24Å; I53-G57 WeakPolarHBondContact O-CA 3.33Å; I53-G57 PolarHBondContact O-N 3.39Å
54Q65.4Low67.4Low121 Ų12193.3 Ų93.357%0.56547%0.474SS*.Hα-helixtrans-75.1-38.6177.7-157.8171.639.800111.6E50 R51 Q52 G57 M58E50-Q54 VanDerWaalsContact O-CB 3.28Å; E50-Q54 WeakPolarHBondContact O-CB 3.15Å; E50-Q54 PolarHBondContact O-N 3.49Å; R51-Q54 PolarHBondContact O-N 3.5Å; Q52-Q54 VanDerWaalsContact C-N 3.31Å; Q52-Q54 PolarHBondContact O-N 3.44Å; Q54-G57 CarbonylContact O-C 3.55Å; Q54-G57 VanDerWaalsContact O-CA 3.23Å; Q54-G57 WeakPolarHBondContact O-CA 3.37Å; Q54-G57 PolarHBondContact O-N 3.27Å; Q54-G57 VanDerWaalsContact O-N 3.15Å; Q54-M58 PolarHBondContact O-N 2.74Å
55A61.7Low67.2Low58 Ų5896.2 Ų96.248%0.47948%0.481SS..Hα-helixtrans-65.1-40.3171.400000112.2R51 Q52 G57R51-A55 WeakPolarHBondContact O-CB 3.29Å; R51-A55 PolarHBondContact O-N 3.45Å; Q52-A55 PolarHBondContact O-N 3.28Å; A55-G57 VanDerWaalsContact C-N 3.35Å
56A58.6Low67.8Low27 Ų2794.4 Ų94.422%0.22347%0.473CS..Hα-helixtrans-67.6-39.7169.100000110.7Q52 M58 F59 Y60Q52-A56 WeakPolarHBondContact O-CB 3.42Å; Q52-A56 PolarHBondContact O-N 2.96Å; A56-M58 PolarHBondContact O-N 3.48Å; A56-F59 VanDerWaalsContact O-CB 3.25Å; A56-F59 WeakPolarHBondContact O-CB 3.48Å; A56-F59 PolarHBondContact O-N 2.88Å; A56-Y60 VanDerWaalsContact C-CE1 3.42Å; A56-Y60 HydrophobicContact CB-CE1 4.12Å; A56-Y60 WeakPolarHBondContact CB-OH 3.49Å; A56-Y60 VanDerWaalsContact O-CD1 3.26Å; A56-Y60 WeakPolarHBondContact O-CD1 3.49Å; A56-Y60 WeakPolarHBondContact O-CE1 3.34Å; A56-Y60 PolarHBondContact O-OH 2.86Å
57G57.2Low68.4Low18 Ų1892.2 Ų92.219%0.18646%0.464CS..Hα-helixtrans-38.4-59.4169.700000114I53 Q54 A55 F59 Y60 T61I53-G57 VanDerWaalsContact O-CA 3.24Å; I53-G57 WeakPolarHBondContact O-CA 3.33Å; I53-G57 PolarHBondContact O-N 3.39Å; Q54-G57 CarbonylContact O-C 3.55Å; Q54-G57 VanDerWaalsContact O-CA 3.23Å; Q54-G57 WeakPolarHBondContact O-CA 3.37Å; Q54-G57 PolarHBondContact O-N 3.27Å; Q54-G57 VanDerWaalsContact O-N 3.15Å; A55-G57 VanDerWaalsContact C-N 3.35Å; G57-F59 PolarHBondContact O-N 3.35Å; G57-Y60 VanDerWaalsContact N-CZ 3.28Å; G57-Y60 PolarHBondContact N-OH 3.36Å; G57-Y60 WeakPolarHBondContact O-CD2 3.28Å; G57-Y60 PolarHBondContact O-N 3.5Å; G57-Y60 VanDerWaalsContact O-N 3.17Å; G57-T61 PolarHBondContact O-N 3.33Å
58M57.1Low68.6Low99 Ų9989.6 Ų89.649%0.48845%0.452SS..Hα-helixtrans-55.6-36.3179.2-116.183.575.200112.1Q54 A56 Y60 T61 M62Q54-M58 PolarHBondContact O-N 2.74Å; A56-M58 PolarHBondContact O-N 3.48Å; M58-Y60 VanDerWaalsContact C-N 3.32Å; M58-Y60 PolarHBondContact O-N 2.8Å; M58-T61 WeakPolarHBondContact CA-OG1 3.49Å; M58-T61 PolarHBondContact O-N 2.96Å; M58-T61 PolarHBondContact O-OG1 3.2Å; M58-M62 HydrophobicContact CB-CE 4.1Å; M58-M62 HydrophobicContact CG-CE 3.92Å; M58-M62 VanDerWaalsContact O-CG 3.26Å; M58-M62 WeakPolarHBondContact O-CG 3.19Å; M58-M62 PolarHBondContact O-N 3.45Å; M58-M62 VanDerWaalsContact O-N 3.1Å
59F56.1Low69.3Low54 Ų5489.2 Ų89.224%0.23744%0.443CS..Hα-helixtrans-67.9-29.5-177.3-177.5-105.5000113.4A56 G57A56-F59 VanDerWaalsContact O-CB 3.25Å; A56-F59 WeakPolarHBondContact O-CB 3.48Å; A56-F59 PolarHBondContact O-N 2.88Å; G57-F59 PolarHBondContact O-N 3.35Å
60Y54.8Low70.4Confident145 Ų14586.8 Ų86.857%0.56943%0.429SS*.Hα-helixtrans-86.7-161761.9-77.6000113.1A56 G57 M58A56-Y60 VanDerWaalsContact C-CE1 3.42Å; A56-Y60 HydrophobicContact CB-CE1 4.12Å; A56-Y60 WeakPolarHBondContact CB-OH 3.49Å; A56-Y60 VanDerWaalsContact O-CD1 3.26Å; A56-Y60 WeakPolarHBondContact O-CD1 3.49Å; A56-Y60 WeakPolarHBondContact O-CE1 3.34Å; A56-Y60 PolarHBondContact O-OH 2.86Å; G57-Y60 VanDerWaalsContact N-CZ 3.28Å; G57-Y60 PolarHBondContact N-OH 3.36Å; G57-Y60 WeakPolarHBondContact O-CD2 3.28Å; G57-Y60 PolarHBondContact O-N 3.5Å; G57-Y60 VanDerWaalsContact O-N 3.17Å; M58-Y60 VanDerWaalsContact C-N 3.32Å; M58-Y60 PolarHBondContact O-N 2.8Å
61T62.9Low71.3Confident108 Ų10883.9 Ų83.966%0.66342%0.416SS*.Hα-helixtrans-89.7-11.3172.759.20000113.3G57 M58G57-T61 PolarHBondContact O-N 3.33Å; M58-T61 WeakPolarHBondContact CA-OG1 3.49Å; M58-T61 PolarHBondContact O-N 2.96Å; M58-T61 PolarHBondContact O-OG1 3.2Å
62M70.8Confident72.2Confident74 Ų7479.4 Ų79.437%0.36540%0.404SS..SBendtrans-64.7142.1176.8-70.4-45.4168.200112.1M58 E66 R67M58-M62 HydrophobicContact CB-CE 4.1Å; M58-M62 HydrophobicContact CG-CE 3.92Å; M58-M62 VanDerWaalsContact O-CG 3.26Å; M58-M62 WeakPolarHBondContact O-CG 3.19Å; M58-M62 PolarHBondContact O-N 3.45Å; M58-M62 VanDerWaalsContact O-N 3.1Å; M62-E66 HydrophobicContact CB-CB 4.1Å; M62-E66 HydrophobicContact CG-CB 4.39Å; M62-E66 HydrophobicContact SD-CB 4.49Å; M62-R67 HydrophobicContact CB-CG 3.88Å
63T80.3Confident73.7Confident75 Ų7575 Ų7546%0.4638%0.381SS..  trans-62.4158.7171.465.20000110.8E65 E66 R67T63-E65 PolarHBondContact O-N 3.15Å; T63-E66 WeakPolarHBondContact CB-OE2 3.48Å; T63-E66 PolarHBondContact N-OE2 2.63Å; T63-E66 PolarHBondContact O-N 3.37Å; T63-E66 VanDerWaalsContact OG1-CG 3.31Å; T63-E66 WeakPolarHBondContact OG1-CG 3.41Å; T63-E66 PolarHBondContact OG1-N 3.39Å; T63-E66 PolarHBondContact OG1-OE2 2.96Å; T63-R67 WeakPolarHBondContact O-CG 3.43Å; T63-R67 PolarHBondContact O-N 3.3Å
64H78.4Confident75.2Confident110 Ų11070 Ų7051%0.50936%0.355SS..Hα-helixtrans-58.1-34.5178.8-178.5-101.2000112.5R67 I68H64-R67 PolarHBondContact O-N 3.2Å; H64-I68 WeakPolarHBondContact CE1-CD1 3.32Å; H64-I68 WeakPolarHBondContact ND1-CD1 3.32Å; H64-I68 WeakPolarHBondContact O-CG1 3.43Å; H64-I68 PolarHBondContact O-N 2.81Å; H64-I68 VanDerWaalsContact O-N 3.1Å
65E80.6Confident76.6Confident155 Ų15564.2 Ų64.272%0.72433%0.329SS*.Hα-helixtrans-67.9-44.6179.6-67173.2-176.500111.8T63 R67 I68 D69T63-E65 PolarHBondContact O-N 3.15Å; E65-R67 VanDerWaalsContact C-N 3.3Å; E65-R67 PolarHBondContact O-N 3.39Å; E65-I68 PolarHBondContact O-N 3.24Å; E65-D69 PolarHBondContact O-N 3.03Å
66E83.3Confident78.3Confident94 Ų9464.1 Ų64.144%0.43932%0.316SS..Hα-helixtrans-63.7-36.3176.8-70.6161.8146.800111.9M62 T63 D69 A70M62-E66 HydrophobicContact CB-CB 4.1Å; M62-E66 HydrophobicContact CG-CB 4.39Å; M62-E66 HydrophobicContact SD-CB 4.49Å; T63-E66 WeakPolarHBondContact CB-OE2 3.48Å; T63-E66 PolarHBondContact N-OE2 2.63Å; T63-E66 PolarHBondContact O-N 3.37Å; T63-E66 VanDerWaalsContact OG1-CG 3.31Å; T63-E66 WeakPolarHBondContact OG1-CG 3.41Å; T63-E66 PolarHBondContact OG1-N 3.39Å; T63-E66 PolarHBondContact OG1-OE2 2.96Å; E66-D69 PolarHBondContact O-N 2.93Å; E66-A70 WeakPolarHBondContact O-CB 3.35Å; E66-A70 PolarHBondContact O-N 3.07Å
67R83.3Confident80Confident97 Ų9762.9 Ų62.937%0.36631%0.306SS..Hα-helixtrans-68.4-38.8176.3-63.8178.682.4167.59.6112M62 T63 H64 E65 D69 D71M62-R67 HydrophobicContact CB-CG 3.88Å; T63-R67 WeakPolarHBondContact O-CG 3.43Å; T63-R67 PolarHBondContact O-N 3.3Å; H64-R67 PolarHBondContact O-N 3.2Å; E65-R67 VanDerWaalsContact C-N 3.3Å; E65-R67 PolarHBondContact O-N 3.39Å; R67-D69 VanDerWaalsContact C-N 3.35Å; R67-D71 WeakPolarHBondContact O-CB 3.24Å; R67-D71 VanDerWaalsContact O-CG 3.22Å; R67-D71 PolarHBondContact O-N 3.38Å
68I85.1Confident81.8Confident40 Ų4062 Ų6221%0.20530%0.297CS..Hα-helixtrans-63.8-44172.9-70.8165.3000110.2H64 E65 D71 N72 T150 M152H64-I68 WeakPolarHBondContact CE1-CD1 3.32Å; H64-I68 WeakPolarHBondContact ND1-CD1 3.32Å; H64-I68 WeakPolarHBondContact O-CG1 3.43Å; H64-I68 PolarHBondContact O-N 2.81Å; H64-I68 VanDerWaalsContact O-N 3.1Å; E65-I68 PolarHBondContact O-N 3.24Å; I68-D71 PolarHBondContact O-N 3.25Å; I68-N72 WeakPolarHBondContact CG2-ND2 3.18Å; I68-N72 WeakPolarHBondContact O-CB 3.1Å; I68-N72 PolarHBondContact O-N 3.4Å; I68-N72 PolarHBondContact O-ND2 3.18Å; I68-N72 VanDerWaalsContact O-ND2 3.1Å; I68-T150 HydrophobicContact CG2-CG2 4.29Å; I68-M152 HydrophobicContact CD1-SD 4.13Å
69D87.9Confident83.6Confident45 Ų4560.6 Ų60.624%0.24129%0.291CS..Hα-helixtrans-65-43179.4-176.571000112.4E65 E66 R67 D71 N72 R73 R124E65-D69 PolarHBondContact O-N 3.03Å; E66-D69 PolarHBondContact O-N 2.93Å; R67-D69 VanDerWaalsContact C-N 3.35Å; D69-D71 VanDerWaalsContact C-N 3.32Å; D69-D71 PolarHBondContact O-N 2.93Å; D69-N72 WeakPolarHBondContact O-CB 3.4Å; D69-N72 PolarHBondContact O-N 2.84Å; D69-R73 PolarHBondContact O-N 2.71Å; D69-R73 IonicContact OD2-CZ 3.81Å; D69-R73 IonicContact OD2-NE 3.98Å; D69-R73 PolarHBondContact OD2-NE 3.09Å; D69-R73 IonicContact OD2-NH2 2.63Å; D69-R73 PolarHBondContact OD2-NH2 2.87Å; D69-R124 IonicContact OD1-CZ 3.51Å; D69-R124 IonicContact OD1-NE 2.72Å; D69-R124 PolarHBondContact OD1-NE 3.14Å; D69-R124 IonicContact OD1-NH2 3.09Å; D69-R124 PolarHBondContact OD1-NH2 3.11Å
70A88.2Confident85.4Confident9 Ų958.1 Ų58.17%0.07428%0.281CS..Hα-helixtrans-60.5-42172.200000111.5E66 N72 R73 S74E66-A70 WeakPolarHBondContact O-CB 3.35Å; E66-A70 PolarHBondContact O-N 3.07Å; A70-N72 VanDerWaalsContact C-N 3.33Å; A70-N72 PolarHBondContact O-N 2.8Å; A70-R73 CarbonylContact O-C 3.56Å; A70-R73 PolarHBondContact O-N 2.73Å; A70-S74 WeakPolarHBondContact O-CB 3.34Å; A70-S74 PolarHBondContact O-N 2.76Å; A70-S74 VanDerWaalsContact O-N 3.11Å; A70-S74 PolarHBondContact O-OG 3.39Å
71D89.1Confident87.3Confident23 Ų2353.9 Ų53.912%0.12327%0.266CS..Hα-helixtrans-63-38.7175.2-78.3-4.9000112.1R67 I68 D69 R73 S74 K148 T150R67-D71 WeakPolarHBondContact O-CB 3.24Å; R67-D71 VanDerWaalsContact O-CG 3.22Å; R67-D71 PolarHBondContact O-N 3.38Å; I68-D71 PolarHBondContact O-N 3.25Å; D69-D71 VanDerWaalsContact C-N 3.32Å; D69-D71 PolarHBondContact O-N 2.93Å; D71-R73 VanDerWaalsContact C-N 3.29Å; D71-R73 PolarHBondContact O-N 3.39Å; D71-S74 WeakPolarHBondContact O-CB 3.06Å; D71-S74 PolarHBondContact O-N 2.97Å; D71-S74 VanDerWaalsContact O-N 3.14Å; D71-K148 HydrophobicContact CB-CD 4.36Å; D71-K148 WeakPolarHBondContact OD1-CE 3.42Å; D71-K148 IonicContact OD1-NZ 3.32Å; D71-K148 PolarHBondContact OD1-NZ 2.79Å; D71-T150 HydrophobicContact CB-CG2 3.66Å
72N91.1Very high88.6Confident64 Ų6455.3 Ų55.334%0.34226%0.261SS..Hα-helixtrans-67.9-27.8175.9-70.8-36.3000113I68 D69 A70 S74 T150I68-N72 WeakPolarHBondContact CG2-ND2 3.18Å; I68-N72 WeakPolarHBondContact O-CB 3.1Å; I68-N72 PolarHBondContact O-N 3.4Å; I68-N72 PolarHBondContact O-ND2 3.18Å; I68-N72 VanDerWaalsContact O-ND2 3.1Å; D69-N72 WeakPolarHBondContact O-CB 3.4Å; D69-N72 PolarHBondContact O-N 2.84Å; A70-N72 VanDerWaalsContact C-N 3.33Å; A70-N72 PolarHBondContact O-N 2.8Å; N72-S74 VanDerWaalsContact C-N 3.31Å; N72-T150 VanDerWaalsContact OD1-CG2 3.3Å; N72-T150 WeakPolarHBondContact OD1-CG2 3.41Å
73R93.3Very high89.6Confident51 Ų5153.8 Ų53.819%0.19226%0.263CS..THydrogen-bonded Turntrans-88.94.5173.3-71.3-174.7-76.5153.92.9113.4D69 A70 D71 F121 H122 R124 V127D69-R73 PolarHBondContact O-N 2.71Å; D69-R73 IonicContact OD2-CZ 3.81Å; D69-R73 IonicContact OD2-NE 3.98Å; D69-R73 PolarHBondContact OD2-NE 3.09Å; D69-R73 IonicContact OD2-NH2 2.63Å; D69-R73 PolarHBondContact OD2-NH2 2.87Å; A70-R73 CarbonylContact O-C 3.56Å; A70-R73 PolarHBondContact O-N 2.73Å; D71-R73 VanDerWaalsContact C-N 3.29Å; D71-R73 PolarHBondContact O-N 3.39Å; R73-F121 PolarHBondContact O-N 2.95Å; R73-H122 WeakPolarHBondContact CD-O 3.24Å; R73-H122 PolarHBondContact NH1-O 2.81Å; R73-R124 HydrophobicContact CG-CB 4.36Å; R73-R124 HydrophobicContact CG-CG 3.39Å; R73-V127 VanDerWaalsContact C-CG2 3.47Å; R73-V127 WeakPolarHBondContact O-CG2 3.43Å
74S94.2Very high90.1Very high2 Ų250.8 Ų50.81%0.01425%0.246CC..EExtended strand (participates in β ladder)trans-107.5147.9-176.7-65.30000113.1A70 D71 N72 I119 K148A70-S74 WeakPolarHBondContact O-CB 3.34Å; A70-S74 PolarHBondContact O-N 2.76Å; A70-S74 VanDerWaalsContact O-N 3.11Å; A70-S74 PolarHBondContact O-OG 3.39Å; D71-S74 WeakPolarHBondContact O-CB 3.06Å; D71-S74 PolarHBondContact O-N 2.97Å; D71-S74 VanDerWaalsContact O-N 3.14Å; N72-S74 VanDerWaalsContact C-N 3.31Å; S74-I119 CarbonylContact C-O 3.5Å; S74-I119 WeakPolarHBondContact CA-O 3.23Å; S74-K148 VanDerWaalsContact O-CB 3.22Å; S74-K148 WeakPolarHBondContact O-CB 3.4Å; S74-K148 PolarHBondContact O-N 2.74Å
75V95.6Very high90.8Very high0 Ų048.4 Ų48.40%024%0.24CC..EExtended strand (participates in β ladder)trans-110.9147.9168.3-65.40000111.2V77 Y118 I119 F121 V127 A130 V145 L146V75-V77 HydrophobicContact CG2-CG2 4.23Å; V75-Y118 WeakPolarHBondContact O-CA 3.37Å; V75-I119 HydrophobicContact CG2-CB 3.77Å; V75-I119 PolarHBondContact N-O 2.8Å; V75-I119 PolarHBondContact O-N 2.86Å; V75-F121 HydrophobicContact CB-CE2 4.39Å; V75-F121 HydrophobicContact CG1-CE2 3.96Å; V75-F121 HydrophobicContact CG2-CD2 4.48Å; V75-F121 HydrophobicContact CG2-CE2 3.57Å; V75-F121 HydrophobicContact CG2-CZ 4.24Å; V75-V127 HydrophobicContact CG1-CB 4.27Å; V75-V127 HydrophobicContact CG1-CG1 3.74Å; V75-V127 HydrophobicContact CG1-CG2 4.43Å; V75-A130 HydrophobicContact CG1-CB 4.08Å; V75-V145 HydrophobicContact CB-CG1 4.21Å; V75-V145 HydrophobicContact CG1-CG1 4.43Å; V75-L146 CarbonylContact C-O 3.55Å; V75-L146 WeakPolarHBondContact CA-O 3.15Å
76Y95.9Very high91.3Very high57 Ų5743 Ų4322%0.22422%0.221CC..EExtended strand (participates in β ladder)trans-91.4127.2164.5166.3-95.8000109.1F116 Y118 V145 L146Y76-F116 HydrophobicContact CE1-CD1 4.46Å; Y76-F116 HydrophobicContact CE2-CB 3.97Å; Y76-F116 AromaticContact CE2-CD1 3.67Å; Y76-F116 HydrophobicContact CE2-CD1 3.67Å; Y76-F116 HydrophobicContact CE2-CG 4.01Å; Y76-F116 AromaticContact CZ-CD1 3.42Å; Y76-F116 VanDerWaalsContact CZ-CD1 3.42Å; Y76-F116 AromaticContact CZ-CE1 3.91Å; Y76-F116 WeakPolarHBondContact OH-CD1 3.49Å; Y76-F116 WeakPolarHBondContact OH-CE1 3.44Å; Y76-Y118 HydrophobicContact CD2-CD1 4.41Å; Y76-Y118 AromaticContact CD2-CE1 3.77Å; Y76-Y118 HydrophobicContact CD2-CE1 3.77Å; Y76-Y118 HydrophobicContact CG-CE1 4.44Å; Y76-V145 WeakPolarHBondContact O-CA 3.33Å; Y76-L146 HydrophobicContact CD1-CB 4.03Å; Y76-L146 HydrophobicContact CD1-CD1 4.17Å; Y76-L146 HydrophobicContact CD1-CG 4.37Å; Y76-L146 HydrophobicContact CE1-CD1 4.35Å; Y76-L146 PolarHBondContact N-O 3.38Å; Y76-L146 PolarHBondContact O-N 2.66Å
77V95.4Very high91.8Very high0 Ų043.6 Ų43.60%023%0.228CC..EExtended strand (participates in β ladder)trans-115.1124172.9-169.30000108.2V75 V80 F93 F116 A117 I119 I143 K144V75-V77 HydrophobicContact CG2-CG2 4.23Å; V77-V80 HydrophobicContact CB-CG2 4.13Å; V77-V80 HydrophobicContact CG1-CG2 3.6Å; V77-F93 HydrophobicContact CG1-CE2 4.31Å; V77-F93 HydrophobicContact CG1-CZ 4.23Å; V77-F93 HydrophobicContact CG2-CE2 3.9Å; V77-F93 HydrophobicContact CG2-CZ 3.77Å; V77-F116 CarbonylContact O-C 3.57Å; V77-F116 VanDerWaalsContact O-CA 3.3Å; V77-F116 WeakPolarHBondContact O-CA 3.25Å; V77-A117 PolarHBondContact N-O 2.81Å; V77-A117 PolarHBondContact O-N 3.34Å; V77-I119 HydrophobicContact CG2-CD1 3.75Å; V77-I119 HydrophobicContact CG2-CG1 4.17Å; V77-I143 HydrophobicContact CG1-CB 4.18Å; V77-I143 HydrophobicContact CG1-CD1 4.14Å; V77-I143 HydrophobicContact CG1-CG2 4.43Å; V77-K144 CarbonylContact C-O 3.56Å; V77-K144 WeakPolarHBondContact CA-O 3.36Å
78G95.1Very high92.4Very high1 Ų142 Ų421%0.0123%0.225CC..EExtended strand (participates in β ladder)trans-121.9166.2179.700000114.5V80 I143 K144G78-V80 PolarHBondContact O-N 3.08Å; G78-I143 WeakPolarHBondContact O-CA 3.3Å; G78-K144 PolarHBondContact N-O 3.36Å; G78-K144 PolarHBondContact O-N 2.63Å
79N94.7Very high92.8Very high68 Ų6840.1 Ų40.136%0.36422%0.215SC..SBendtrans59.927.5-170.9-161.543.4000113.6G115 R141 V142N79-G115 PolarHBondContact N-O 2.87Å; N79-R141 PolarHBondContact O-NE 3.22Å; N79-R141 PolarHBondContact OD1-NH2 2.65Å; N79-V142 PolarHBondContact ND2-O 3.1Å
80V93.9Very high93.1Very high3 Ų342 Ų422%0.01822%0.222CC..  trans-67.4144.5176.6-173.30000109.6V77 G78 A84 L89 G115 F138V77-V80 HydrophobicContact CB-CG2 4.13Å; V77-V80 HydrophobicContact CG1-CG2 3.6Å; G78-V80 PolarHBondContact O-N 3.08Å; V80-A84 HydrophobicContact CG1-CB 3.53Å; V80-L89 HydrophobicContact CG1-CD1 4.4Å; V80-L89 HydrophobicContact CG1-CD2 4.14Å; V80-G115 PolarHBondContact N-O 3.31Å; V80-G115 WeakPolarHBondContact O-CA 3.15Å; V80-F138 HydrophobicContact CG1-CE1 4.2Å
81E93.9Very high93.4Very high55 Ų5547.9 Ų47.926%0.25725%0.251SS..  trans-62.6145.6175.2-158.6-164.5141.700111.8G83 A84 R139E81-G83 VanDerWaalsContact C-N 3.27Å; E81-G83 PolarHBondContact O-N 3.08Å; E81-A84 HydrophobicContact CB-CB 4.45Å; E81-A84 WeakPolarHBondContact O-CB 3.34Å; E81-A84 PolarHBondContact O-N 3.46Å; E81-R139 HydrophobicContact CB-CB 4.5Å; E81-R139 IonicContact OE1-CZ 3.97Å; E81-R139 IonicContact OE1-NE 3.02Å; E81-R139 IonicContact OE1-NH2 3.82Å; E81-R139 PolarHBondContact OE1-NH2 2.86Å; E81-R139 WeakPolarHBondContact OE2-CB 3.31Å; E81-R139 WeakPolarHBondContact OE2-CD 3.41Å; E81-R139 IonicContact OE2-CZ 3.02Å; E81-R139 VanDerWaalsContact OE2-CZ 3.31Å; E81-R139 IonicContact OE2-NE 3.25Å; E81-R139 PolarHBondContact OE2-NE 3.28Å; E81-R139 IonicContact OE2-NH2 3.31Å; E81-R139 PolarHBondContact OE2-NH2 2.91Å
82Y91.3Very high93.6Very high139 Ų13949.5 Ų49.555%0.54526%0.257SS..THydrogen-bonded Turntrans-65-29.9178.7-61.7-62000113.3A84 P113Y82-A84 VanDerWaalsContact C-N 3.32Å; Y82-P113 HydrophobicContact CD1-CB 4.15Å; Y82-P113 HydrophobicContact CD1-CG 3.9Å; Y82-P113 WeakPolarHBondContact CD1-O 3.24Å; Y82-P113 WeakPolarHBondContact CE1-O 3.34Å; Y82-P113 HydrophobicContact CG-CG 4.36Å; Y82-P113 WeakPolarHBondContact O-CG 3.24Å
83G90.4Very high93.7Very high41 Ų4146.4 Ų46.442%0.42324%0.241SC..THydrogen-bonded Turntrans-87.65.3176.400000114.6E81 R139E81-G83 VanDerWaalsContact C-N 3.27Å; E81-G83 PolarHBondContact O-N 3.08Å; G83-R139 PolarHBondContact O-NH1 2.91Å
84A90.9Very high93.7Very high12 Ų1248.9 Ų48.910%0.09926%0.258CS..  trans-68.5134.8-177.900000111.3V80 E81 Y82 I104 F138V80-A84 HydrophobicContact CG1-CB 3.53Å; E81-A84 HydrophobicContact CB-CB 4.45Å; E81-A84 WeakPolarHBondContact O-CB 3.34Å; E81-A84 PolarHBondContact O-N 3.46Å; Y82-A84 VanDerWaalsContact C-N 3.32Å; A84-I104 WeakPolarHBondContact O-CD1 3.28Å; A84-F138 HydrophobicContact CB-CE1 3.7Å; A84-F138 HydrophobicContact CB-CZ 4.13Å
85T93.3Very high93.5Very high61 Ų6152.6 Ų52.637%0.37430%0.296SS..  trans-95.4162.1174.363.60000111.2D87 E88 L89T85-D87 VanDerWaalsContact C-N 3.29Å; T85-D87 PolarHBondContact O-N 2.8Å; T85-E88 PolarHBondContact N-OE2 3.4Å; T85-E88 PolarHBondContact O-N 2.97Å; T85-E88 VanDerWaalsContact OG1-CG 3.28Å; T85-E88 WeakPolarHBondContact OG1-CG 3.36Å; T85-E88 PolarHBondContact OG1-N 3.39Å; T85-L89 PolarHBondContact O-N 3.46Å
86A91.8Very high93.4Very high41 Ų4153.6 Ų53.634%0.33930%0.303SS..Hα-helixtrans-62.5-40175.300000111.2E88 L89 E90 V102A86-E88 PolarHBondContact O-N 3.22Å; A86-L89 PolarHBondContact O-N 3.33Å; A86-E90 PolarHBondContact O-N 2.88Å; A86-V102 HydrophobicContact CB-CB 4.18Å; A86-V102 HydrophobicContact CB-CG1 4.12Å
87D94.1Very high93.3Very high107 Ų10751.4 Ų51.457%0.57230%0.298SS*.Hα-helixtrans-60.7-41.7178.9-53.4-94000112.4T85 L89 E90 I91T85-D87 VanDerWaalsContact C-N 3.29Å; T85-D87 PolarHBondContact O-N 2.8Å; D87-L89 PolarHBondContact O-N 3.33Å; D87-E90 PolarHBondContact O-N 2.78Å; D87-I91 WeakPolarHBondContact O-CD1 3.34Å; D87-I91 VanDerWaalsContact O-CG1 3.25Å; D87-I91 WeakPolarHBondContact O-CG1 3.41Å; D87-I91 PolarHBondContact O-N 3.15Å
88E94.4Very high93.2Very high64 Ų6454.6 Ų54.630%0.29932%0.319SS..Hα-helixtrans-65-40.1178.2-74.5172.2173.500112.3T85 A86 H92 F138 R139T85-E88 PolarHBondContact N-OE2 3.4Å; T85-E88 PolarHBondContact O-N 2.97Å; T85-E88 VanDerWaalsContact OG1-CG 3.28Å; T85-E88 WeakPolarHBondContact OG1-CG 3.36Å; T85-E88 PolarHBondContact OG1-N 3.39Å; A86-E88 PolarHBondContact O-N 3.22Å; E88-H92 WeakPolarHBondContact O-CB 3.36Å; E88-H92 PolarHBondContact O-N 3.15Å; E88-F138 HydrophobicContact CB-CE2 4.15Å; E88-F138 HydrophobicContact CB-CZ 3.9Å; E88-R139 VanDerWaalsContact CD-NH1 3.28Å; E88-R139 IonicContact OE1-CZ 2.82Å; E88-R139 IonicContact OE1-NH1 2.63Å; E88-R139 PolarHBondContact OE1-NH1 2.98Å; E88-R139 WeakPolarHBondContact OE2-CD 3.46Å; E88-R139 IonicContact OE2-CZ 3.43Å; E88-R139 IonicContact OE2-NE 3.38Å; E88-R139 IonicContact OE2-NH1 2.66Å; E88-R139 PolarHBondContact OE2-NH1 2.95Å
89L93.6Very high93.2Very high0 Ų055.8 Ų55.80%033%0.326CS..Hα-helixtrans-66.7-41.7175.2-70.8173000110.6V80 T85 A86 D87 I91 H92 F93 V102 I104 A117 I119 F138V80-L89 HydrophobicContact CG1-CD1 4.4Å; V80-L89 HydrophobicContact CG1-CD2 4.14Å; T85-L89 PolarHBondContact O-N 3.46Å; A86-L89 PolarHBondContact O-N 3.33Å; D87-L89 PolarHBondContact O-N 3.33Å; L89-I91 PolarHBondContact O-N 2.8Å; L89-H92 PolarHBondContact O-N 2.89Å; L89-F93 HydrophobicContact CD2-CE2 4.43Å; L89-F93 VanDerWaalsContact O-CD2 3.28Å; L89-F93 WeakPolarHBondContact O-CD2 3.34Å; L89-F93 PolarHBondContact O-N 3.46Å; L89-V102 HydrophobicContact CB-CG1 4.21Å; L89-V102 HydrophobicContact CD1-CG1 3.97Å; L89-I104 HydrophobicContact CD1-CD1 4.1Å; L89-I104 HydrophobicContact CD1-CG1 4.02Å; L89-A117 HydrophobicContact CD1-CB 3.76Å; L89-I119 HydrophobicContact CB-CD1 4.33Å; L89-F138 HydrophobicContact CD2-CE1 4.25Å; L89-F138 HydrophobicContact CD2-CE2 4.28Å; L89-F138 HydrophobicContact CD2-CZ 4.02Å; L89-F138 HydrophobicContact CG-CZ 4.44Å
90E94.4Very high93.1Very high85 Ų8556.9 Ų56.940%0.39733%0.332SS..Hα-helixtrans-58.8-49.2176-173174.6169.900111.2A86 D87 H92 F93 N94 V99 V102A86-E90 PolarHBondContact O-N 2.88Å; D87-E90 PolarHBondContact O-N 2.78Å; E90-H92 VanDerWaalsContact C-N 3.31Å; E90-H92 PolarHBondContact O-N 3.48Å; E90-F93 CarbonylContact O-C 3.55Å; E90-F93 PolarHBondContact O-N 2.77Å; E90-N94 VanDerWaalsContact O-CB 3.29Å; E90-N94 WeakPolarHBondContact O-CB 3.32Å; E90-N94 PolarHBondContact O-N 2.71Å; E90-V99 HydrophobicContact CG-CB 4.08Å; E90-V99 HydrophobicContact CG-CG1 4.38Å; E90-V99 HydrophobicContact CG-CG2 4.22Å; E90-V102 HydrophobicContact CB-CG2 4.36Å
91I94Very high92.9Very high132 Ų13260.6 Ų60.668%0.67735%0.345SS*.Hα-helixtrans-59-42.9177.6-67.4162.9000111.3D87 L89 F93 N94D87-I91 WeakPolarHBondContact O-CD1 3.34Å; D87-I91 VanDerWaalsContact O-CG1 3.25Å; D87-I91 WeakPolarHBondContact O-CG1 3.41Å; D87-I91 PolarHBondContact O-N 3.15Å; L89-I91 PolarHBondContact O-N 2.8Å; I91-F93 PolarHBondContact O-N 3.43Å; I91-N94 PolarHBondContact O-N 2.93Å
92H93.4Very high92.9Very high56 Ų5659.2 Ų59.226%0.25934%0.341SS..Hα-helixtrans-63.7-40.1-179.7-17279000112.5E88 L89 E90 F138E88-H92 WeakPolarHBondContact O-CB 3.36Å; E88-H92 PolarHBondContact O-N 3.15Å; L89-H92 PolarHBondContact O-N 2.89Å; E90-H92 VanDerWaalsContact C-N 3.31Å; E90-H92 PolarHBondContact O-N 3.48Å; H92-F138 HydrophobicContact CB-CD2 4.34Å; H92-F138 HydrophobicContact CB-CE2 4.39Å
93F94.3Very high93Very high0 Ų054.6 Ų54.60%033%0.327CS..Hα-helixtrans-93.6-5.8-177.9-73.5-79.8000114.3V77 L89 E90 I91 G95 C96 I119 F121 A130 L133 I143 V145V77-F93 HydrophobicContact CG1-CE2 4.31Å; V77-F93 HydrophobicContact CG1-CZ 4.23Å; V77-F93 HydrophobicContact CG2-CE2 3.9Å; V77-F93 HydrophobicContact CG2-CZ 3.77Å; L89-F93 HydrophobicContact CD2-CE2 4.43Å; L89-F93 VanDerWaalsContact O-CD2 3.28Å; L89-F93 WeakPolarHBondContact O-CD2 3.34Å; L89-F93 PolarHBondContact O-N 3.46Å; E90-F93 CarbonylContact O-C 3.55Å; E90-F93 PolarHBondContact O-N 2.77Å; I91-F93 PolarHBondContact O-N 3.43Å; F93-G95 PolarHBondContact O-N 3.28Å; F93-C96 WeakPolarHBondContact O-CB 3.3Å; F93-C96 PolarHBondContact O-N 3.44Å; F93-I119 HydrophobicContact CB-CD1 4.33Å; F93-I119 HydrophobicContact CD2-CD1 3.17Å; F93-I119 HydrophobicContact CE2-CD1 3.49Å; F93-I119 VanDerWaalsContact CE2-CD1 3.49Å; F93-I119 HydrophobicContact CG-CD1 3.78Å; F93-I119 HydrophobicContact CZ-CD1 4.31Å; F93-F121 HydrophobicContact CB-CE1 4.19Å; F93-F121 HydrophobicContact CB-CZ 4.09Å; F93-F121 HydrophobicContact CD1-CZ 4.28Å; F93-F121 HydrophobicContact CG-CZ 4.46Å; F93-A130 HydrophobicContact CD1-CB 4.05Å; F93-A130 HydrophobicContact CE1-CB 4.25Å; F93-L133 HydrophobicContact CD1-CD1 4.11Å; F93-L133 HydrophobicContact CE1-CB 4.44Å; F93-L133 HydrophobicContact CE1-CD1 4.2Å; F93-I143 HydrophobicContact CE2-CD1 4.32Å; F93-I143 HydrophobicContact CZ-CD1 3.9Å; F93-V145 HydrophobicContact CE1-CG1 4.34Å; F93-V145 HydrophobicContact CE1-CG2 4.05Å; F93-V145 HydrophobicContact CZ-CG2 3.84Å
94N92.9Very high93.1Very high103 Ų10355.2 Ų55.255%0.55132%0.32SS*.THydrogen-bonded Turntrans-59.6-29.9178.6-174.456.3000112.8E90 I91 C96 G97E90-N94 VanDerWaalsContact O-CB 3.29Å; E90-N94 WeakPolarHBondContact O-CB 3.32Å; E90-N94 PolarHBondContact O-N 2.71Å; I91-N94 PolarHBondContact O-N 2.93Å; N94-C96 PolarHBondContact O-N 3Å; N94-G97 PolarHBondContact O-N 3.22Å
95G91.1Very high93Very high79 Ų7957.9 Ų57.981%0.81433%0.332SS*.THydrogen-bonded Turntrans-67.1-18.317500000114.4F93F93-G95 PolarHBondContact O-N 3.28Å
96C92.3Very high92.8Very high21 Ų2158.2 Ų58.214%0.14234%0.336CS..THydrogen-bonded Turntrans-89.4-29177.8-61.40000112.6F93 N94 T129 A130 L133F93-C96 WeakPolarHBondContact O-CB 3.3Å; F93-C96 PolarHBondContact O-N 3.44Å; N94-C96 PolarHBondContact O-N 3Å; C96-T129 PolarHBondContact O-OG1 3.19Å; C96-T129 VanDerWaalsContact O-OG1 3.08Å; C96-A130 HydrophobicContact CB-CB 4.23Å; C96-L133 WeakPolarHBondContact SG-CD1 3.48Å
97G93.5Very high92.7Very high12 Ų1259.2 Ų59.212%0.12434%0.336CS..SBendtrans160.6172.1178.300000113N94 V99N94-G97 PolarHBondContact O-N 3.22Å; G97-V99 PolarHBondContact O-N 2.98Å
98P94.4Very high92.2Very high67 Ų6763.7 Ų63.744%0.43535%0.35SS..  trans-65.3124.2-179.525.7-33.4000111.3H122P98-H122 HydrophobicContact CB-CB 4.33Å; P98-H122 HydrophobicContact CG-CB 3.87Å; P98-H122 PolarHBondContact O-N 2.8Å
99V94.9Very high91.7Very high25 Ų2570 Ų7015%0.15238%0.377CS..EExtended strand (participates in β ladder)trans-84.9129.7178.2179.10000109.2E90 G97 V102 I119 F121E90-V99 HydrophobicContact CG-CB 4.08Å; E90-V99 HydrophobicContact CG-CG1 4.38Å; E90-V99 HydrophobicContact CG-CG2 4.22Å; G97-V99 PolarHBondContact O-N 2.98Å; V99-V102 HydrophobicContact CG1-CG2 3.76Å; V99-I119 HydrophobicContact CG1-CG2 3.79Å; V99-I119 HydrophobicContact CG2-CG2 4.15Å; V99-F121 HydrophobicContact CG2-CD1 4.02Å; V99-F121 HydrophobicContact CG2-CE1 3.78Å
100N92.1Very high91.4Very high92 Ų9272.9 Ų72.949%0.49240%0.397SS..EExtended strand (participates in β ladder)trans-87.8-43.7174-169.417.3000110.8E120N100-E120 HydrophobicContact CB-CG 4.27Å; N100-E120 WeakPolarHBondContact CB-O 2.89Å; N100-E120 PolarHBondContact N-O 2.84Å; N100-E120 PolarHBondContact ND2-OE1 2.77Å
101R90.3Very high90.8Very high80 Ų8071.3 Ų71.330%0.30240%0.404SS..EExtended strand (participates in β ladder)trans-157.4138.2-175.6178.8178162.5169.9-1.1112.8T103 E120R101-T103 PolarHBondContact NE-OG1 2.9Å; R101-T103 VanDerWaalsContact NE-OG1 3.1Å; R101-E120 HydrophobicContact CB-CB 4.19Å; R101-E120 PolarHBondContact N-O 3.49Å; R101-E120 VanDerWaalsContact N-O 3.15Å; R101-E120 PolarHBondContact O-N 2.76Å
102V93.9Very high90.3Very high27 Ų2771.3 Ų71.316%0.16440%0.401CS..EExtended strand (participates in β ladder)trans-109.9134.9169.2-176.60000109.7A86 L89 E90 V99 I104 I119A86-V102 HydrophobicContact CB-CB 4.18Å; A86-V102 HydrophobicContact CB-CG1 4.12Å; L89-V102 HydrophobicContact CB-CG1 4.21Å; L89-V102 HydrophobicContact CD1-CG1 3.97Å; E90-V102 HydrophobicContact CB-CG2 4.36Å; V99-V102 HydrophobicContact CG1-CG2 3.76Å; V102-I104 HydrophobicContact CG1-CG1 4.47Å; V102-I119 HydrophobicContact CG1-CG1 4.35Å; V102-I119 HydrophobicContact CG2-CG1 4.4Å; V102-I119 HydrophobicContact CG2-CG2 4.41Å
103T92.3Very high90.1Very high41 Ų4170.2 Ų70.225%0.25240%0.399SS..EExtended strand (participates in β ladder)trans-132.9105.8177.5-58.20000110.2R101 L105 A117 Y118R101-T103 PolarHBondContact NE-OG1 2.9Å; R101-T103 VanDerWaalsContact NE-OG1 3.1Å; T103-L105 HydrophobicContact CG2-CD1 4.34Å; T103-A117 CarbonylContact O-C 3.49Å; T103-A117 VanDerWaalsContact O-CA 3.32Å; T103-A117 WeakPolarHBondContact O-CA 3.25Å; T103-Y118 PolarHBondContact N-O 3.18Å; T103-Y118 PolarHBondContact O-N 3Å
104I92.9Very high89.8Confident55 Ų5576.3 Ų76.328%0.28243%0.425SS..EExtended strand (participates in β ladder)trans-84.9126.5174.3-59.3173.6000108.6A84 L89 V102 A117A84-I104 WeakPolarHBondContact O-CD1 3.28Å; L89-I104 HydrophobicContact CD1-CD1 4.1Å; L89-I104 HydrophobicContact CD1-CG1 4.02Å; V102-I104 HydrophobicContact CG1-CG1 4.47Å; I104-A117 HydrophobicContact CG1-CB 4.17Å
105L89.9Confident89.7Confident68 Ų6871.7 Ų71.736%0.35640%0.401SS..EExtended strand (participates in β ladder)trans-89.9114.7-177.2-128.673.2000110.7T103 K114 F116 Y118T103-L105 HydrophobicContact CG2-CD1 4.34Å; L105-K114 VanDerWaalsContact O-CB 3.27Å; L105-K114 WeakPolarHBondContact O-CB 3.27Å; L105-K114 PolarHBondContact O-N 3.22Å; L105-F116 PolarHBondContact N-O 3.28Å; L105-Y118 HydrophobicContact CD1-CD2 4.23Å; L105-Y118 HydrophobicContact CD1-CE2 4.08Å; L105-Y118 HydrophobicContact CD2-CE2 4.26Å
106C89.1Confident89.9Confident67 Ų6771 Ų7145%0.45338%0.376SS..EExtended strand (participates in β ladder)trans-99.5148.6172.4-56.80000111.2
107D88.5Confident90Very high63 Ų6370 Ų7034%0.33737%0.37SS..  trans-67.5131.9170.9175.633.6000110.1F109 S110 G111 H112D107-F109 VanDerWaalsContact C-N 3.28Å; D107-F109 PolarHBondContact O-N 2.84Å; D107-S110 WeakPolarHBondContact CB-OG 3.22Å; D107-S110 WeakPolarHBondContact OD2-CB 2.83Å; D107-S110 PolarHBondContact OD2-N 2.85Å; D107-S110 PolarHBondContact OD2-OG 2.99Å; D107-G111 WeakPolarHBondContact O-CA 3.25Å; D107-G111 PolarHBondContact O-N 3.01Å; D107-H112 PolarHBondContact N-O 3.36Å
108K84.4Confident90.1Very high201 Ų20173 Ų7387%0.87438%0.377SS*.THydrogen-bonded Turntrans-72.4-23.4-172.4-59.7-176.6-179-167.80112.9
109F84.1Confident90.1Very high197 Ų19769.8 Ų69.886%0.86436%0.357SS*.THydrogen-bonded Turntrans-92.6-43.5-176-57.9-77.9000112D107D107-F109 VanDerWaalsContact C-N 3.28Å; D107-F109 PolarHBondContact O-N 2.84Å
110S85.7Confident90.1Very high60 Ų6069.8 Ų69.842%0.4236%0.355SS..THydrogen-bonded Turntrans-94-15.6-179.163.80000113.7D107 H112D107-S110 WeakPolarHBondContact CB-OG 3.22Å; D107-S110 WeakPolarHBondContact OD2-CB 2.83Å; D107-S110 PolarHBondContact OD2-N 2.85Å; D107-S110 PolarHBondContact OD2-OG 2.99Å; S110-H112 PolarHBondContact O-N 2.89Å; S110-H112 VanDerWaalsContact O-N 3.08Å; S110-H112 PolarHBondContact O-ND1 2.84Å; S110-H112 PolarHBondContact OG-N 3.45Å
111G83Confident90.3Very high52 Ų5265.4 Ų65.454%0.53633%0.332SS..  trans68.5-3.8-170.700000113.8D107D107-G111 WeakPolarHBondContact O-CA 3.25Å; D107-G111 PolarHBondContact O-N 3.01Å
112H83.8Confident90.4Very high131 Ų13166.8 Ų66.861%0.60634%0.341SS*.  trans-75.1137.5-176.3-71.463.3000110D107 S110 K114D107-H112 PolarHBondContact N-O 3.36Å; S110-H112 PolarHBondContact O-N 2.89Å; S110-H112 VanDerWaalsContact O-N 3.08Å; S110-H112 PolarHBondContact O-ND1 2.84Å; S110-H112 PolarHBondContact OG-N 3.45Å; H112-K114 PolarHBondContact O-N 3.37Å
113P88.3Confident90.4Very high33 Ų3368.8 Ų68.821%0.21435%0.351CS..EExtended strand (participates in β ladder)trans-60.7138176.413.1-16.8000110Y82 G115Y82-P113 HydrophobicContact CD1-CB 4.15Å; Y82-P113 HydrophobicContact CD1-CG 3.9Å; Y82-P113 WeakPolarHBondContact CD1-O 3.24Å; Y82-P113 WeakPolarHBondContact CE1-O 3.34Å; Y82-P113 HydrophobicContact CG-CG 4.36Å; Y82-P113 WeakPolarHBondContact O-CG 3.24Å; P113-G115 PolarHBondContact O-N 3.35Å
114K88.2Confident90.3Very high129 Ų12973.3 Ų73.356%0.56136%0.364SS*.EExtended strand (participates in β ladder)trans-80.5-7.7-176.7-157.4176.4176.5176.60112.6L105 H112 F116L105-K114 VanDerWaalsContact O-CB 3.27Å; L105-K114 WeakPolarHBondContact O-CB 3.27Å; L105-K114 PolarHBondContact O-N 3.22Å; H112-K114 PolarHBondContact O-N 3.37Å; K114-F116 HydrophobicContact CB-CD2 4Å; K114-F116 HydrophobicContact CD-CD2 4.12Å; K114-F116 HydrophobicContact CD-CE2 4.48Å; K114-F116 HydrophobicContact CG-CD2 3.77Å; K114-F116 HydrophobicContact CG-CE2 4.01Å; K114-F116 VanDerWaalsContact O-CD2 3.25Å; K114-F116 WeakPolarHBondContact O-CD2 3.33Å; K114-F116 VanDerWaalsContact O-CE2 3.22Å; K114-F116 WeakPolarHBondContact O-CE2 3.15Å
115G91.6Very high90.4Very high5 Ų576.9 Ų76.95%0.05238%0.384CS..EExtended strand (participates in β ladder)trans79.225.3-174.100000113.5N79 V80 P113N79-G115 PolarHBondContact N-O 2.87Å; V80-G115 PolarHBondContact N-O 3.31Å; V80-G115 WeakPolarHBondContact O-CA 3.15Å; P113-G115 PolarHBondContact O-N 3.35Å
116F93.8Very high90.6Very high66 Ų6674 Ų7429%0.28937%0.369SS..EExtended strand (participates in β ladder)trans-136.7142.2178.3-53.6-70.8000110.6Y76 V77 L105 K114Y76-F116 HydrophobicContact CE1-CD1 4.46Å; Y76-F116 HydrophobicContact CE2-CB 3.97Å; Y76-F116 AromaticContact CE2-CD1 3.67Å; Y76-F116 HydrophobicContact CE2-CD1 3.67Å; Y76-F116 HydrophobicContact CE2-CG 4.01Å; Y76-F116 AromaticContact CZ-CD1 3.42Å; Y76-F116 VanDerWaalsContact CZ-CD1 3.42Å; Y76-F116 AromaticContact CZ-CE1 3.91Å; Y76-F116 WeakPolarHBondContact OH-CD1 3.49Å; Y76-F116 WeakPolarHBondContact OH-CE1 3.44Å; V77-F116 CarbonylContact O-C 3.57Å; V77-F116 VanDerWaalsContact O-CA 3.3Å; V77-F116 WeakPolarHBondContact O-CA 3.25Å; L105-F116 PolarHBondContact N-O 3.28Å; K114-F116 HydrophobicContact CB-CD2 4Å; K114-F116 HydrophobicContact CD-CD2 4.12Å; K114-F116 HydrophobicContact CD-CE2 4.48Å; K114-F116 HydrophobicContact CG-CD2 3.77Å; K114-F116 HydrophobicContact CG-CE2 4.01Å; K114-F116 VanDerWaalsContact O-CD2 3.25Å; K114-F116 WeakPolarHBondContact O-CD2 3.33Å; K114-F116 VanDerWaalsContact O-CE2 3.22Å; K114-F116 WeakPolarHBondContact O-CE2 3.15Å
117A94.8Very high90.8Very high0 Ų071.5 Ų71.50%035%0.352CS..EExtended strand (participates in β ladder)trans-133.9155176.600000110.9V77 L89 T103 I104V77-A117 PolarHBondContact N-O 2.81Å; V77-A117 PolarHBondContact O-N 3.34Å; L89-A117 HydrophobicContact CD1-CB 3.76Å; T103-A117 CarbonylContact O-C 3.49Å; T103-A117 VanDerWaalsContact O-CA 3.32Å; T103-A117 WeakPolarHBondContact O-CA 3.25Å; I104-A117 HydrophobicContact CG1-CB 4.17Å
118Y95.1Very high91.1Very high73 Ų7375.6 Ų75.629%0.28637%0.369SS..EExtended strand (participates in β ladder)trans-113.2135.4166.6-62.4-72.1000109.1V75 Y76 T103 L105 K148V75-Y118 WeakPolarHBondContact O-CA 3.37Å; Y76-Y118 HydrophobicContact CD2-CD1 4.41Å; Y76-Y118 AromaticContact CD2-CE1 3.77Å; Y76-Y118 HydrophobicContact CD2-CE1 3.77Å; Y76-Y118 HydrophobicContact CG-CE1 4.44Å; T103-Y118 PolarHBondContact N-O 3.18Å; T103-Y118 PolarHBondContact O-N 3Å; L105-Y118 HydrophobicContact CD1-CD2 4.23Å; L105-Y118 HydrophobicContact CD1-CE2 4.08Å; L105-Y118 HydrophobicContact CD2-CE2 4.26Å; Y118-K148 HydrophobicContact CD1-CB 4.48Å; Y118-K148 HydrophobicContact CD1-CD 3.84Å; Y118-K148 HydrophobicContact CD1-CG 3.84Å; Y118-K148 HydrophobicContact CE1-CD 4.3Å; Y118-K148 HydrophobicContact CE1-CG 3.92Å; Y118-K148 HydrophobicContact CG-CD 4.43Å
119I95.3Very high91.5Very high0 Ų069.1 Ų69.10%035%0.346CS..EExtended strand (participates in β ladder)trans-121.5119.8176.7-56.3177.8000106.8S74 V75 V77 L89 F93 V99 V102 F121S74-I119 CarbonylContact C-O 3.5Å; S74-I119 WeakPolarHBondContact CA-O 3.23Å; V75-I119 HydrophobicContact CG2-CB 3.77Å; V75-I119 PolarHBondContact N-O 2.8Å; V75-I119 PolarHBondContact O-N 2.86Å; V77-I119 HydrophobicContact CG2-CD1 3.75Å; V77-I119 HydrophobicContact CG2-CG1 4.17Å; L89-I119 HydrophobicContact CB-CD1 4.33Å; F93-I119 HydrophobicContact CB-CD1 4.33Å; F93-I119 HydrophobicContact CD2-CD1 3.17Å; F93-I119 HydrophobicContact CE2-CD1 3.49Å; F93-I119 VanDerWaalsContact CE2-CD1 3.49Å; F93-I119 HydrophobicContact CG-CD1 3.78Å; F93-I119 HydrophobicContact CZ-CD1 4.31Å; V99-I119 HydrophobicContact CG1-CG2 3.79Å; V99-I119 HydrophobicContact CG2-CG2 4.15Å; V102-I119 HydrophobicContact CG1-CG1 4.35Å; V102-I119 HydrophobicContact CG2-CG1 4.4Å; V102-I119 HydrophobicContact CG2-CG2 4.41Å; I119-F121 HydrophobicContact CG2-CE1 4.12Å; I119-F121 HydrophobicContact CG2-CE2 4.21Å; I119-F121 HydrophobicContact CG2-CZ 3.91Å
120E94.5Very high92.1Very high25 Ų2559.7 Ų59.712%0.11731%0.305CS..EExtended strand (participates in β ladder)trans-95.9124.2174.4-174.1-174.6144.900108.5N100 R101N100-E120 HydrophobicContact CB-CG 4.27Å; N100-E120 WeakPolarHBondContact CB-O 2.89Å; N100-E120 PolarHBondContact N-O 2.84Å; N100-E120 PolarHBondContact ND2-OE1 2.77Å; R101-E120 HydrophobicContact CB-CB 4.19Å; R101-E120 PolarHBondContact N-O 3.49Å; R101-E120 VanDerWaalsContact N-O 3.15Å; R101-E120 PolarHBondContact O-N 2.76Å
121F95.9Very high92.5Very high0 Ų060.8 Ų60.80%030%0.304CS..EExtended strand (participates in β ladder)trans-95.5160.7174.8-65.2-76.4000111.3R73 V75 F93 V99 I119 D123 V127 A130R73-F121 PolarHBondContact O-N 2.95Å; V75-F121 HydrophobicContact CB-CE2 4.39Å; V75-F121 HydrophobicContact CG1-CE2 3.96Å; V75-F121 HydrophobicContact CG2-CD2 4.48Å; V75-F121 HydrophobicContact CG2-CE2 3.57Å; V75-F121 HydrophobicContact CG2-CZ 4.24Å; F93-F121 HydrophobicContact CB-CE1 4.19Å; F93-F121 HydrophobicContact CB-CZ 4.09Å; F93-F121 HydrophobicContact CD1-CZ 4.28Å; F93-F121 HydrophobicContact CG-CZ 4.46Å; V99-F121 HydrophobicContact CG2-CD1 4.02Å; V99-F121 HydrophobicContact CG2-CE1 3.78Å; I119-F121 HydrophobicContact CG2-CE1 4.12Å; I119-F121 HydrophobicContact CG2-CE2 4.21Å; I119-F121 HydrophobicContact CG2-CZ 3.91Å; F121-D123 VanDerWaalsContact C-N 3.35Å; F121-V127 HydrophobicContact CD2-CG2 4.2Å; F121-A130 HydrophobicContact CE2-CB 3.75Å; F121-A130 HydrophobicContact CZ-CB 3.76Å
122H93.3Very high93Very high109 Ų10962.9 Ų62.951%0.50531%0.311SS..SBendtrans-67.4-39.4171.5-164.5-83.3000111.7R73 P98R73-H122 WeakPolarHBondContact CD-O 3.24Å; R73-H122 PolarHBondContact NH1-O 2.81Å; P98-H122 HydrophobicContact CB-CB 4.33Å; P98-H122 HydrophobicContact CG-CB 3.87Å; P98-H122 PolarHBondContact O-N 2.8Å
123D93.4Very high93.4Very high70 Ų7058.9 Ų58.937%0.37429%0.293SS..SBendtrans-115.1151.1-173-54.2-41.3000111.8F121F121-D123 VanDerWaalsContact C-N 3.35Å
124R91.7Very high93.7Very high135 Ų13560 Ų6051%0.50930%0.298SS..SBendtrans-71.7-32177.3-71.8-175.3-179.7-161.84.7112.5D69 R73 S126 V127D69-R124 IonicContact OD1-CZ 3.51Å; D69-R124 IonicContact OD1-NE 2.72Å; D69-R124 PolarHBondContact OD1-NE 3.14Å; D69-R124 IonicContact OD1-NH2 3.09Å; D69-R124 PolarHBondContact OD1-NH2 3.11Å; R73-R124 HydrophobicContact CG-CB 4.36Å; R73-R124 HydrophobicContact CG-CG 3.39Å; R124-S126 PolarHBondContact O-N 3.15Å; R124-V127 VanDerWaalsContact O-CB 3.27Å; R124-V127 WeakPolarHBondContact O-CB 3.26Å; R124-V127 PolarHBondContact O-N 2.66Å; R124-V127 VanDerWaalsContact O-N 3.16Å
125D93.3Very high94Very high131 Ų13161 Ų6170%0.70130%0.304SS*.Hα-helixtrans-65.3-32.4-178.8-61.8-32.9000111.6V127 Q128 T129D125-V127 PolarHBondContact O-N 3.1Å; D125-Q128 PolarHBondContact O-N 3.4Å; D125-T129 PolarHBondContact O-N 2.89Å; D125-T129 PolarHBondContact O-OG1 2.97Å
126S94.6Very high94.1Very high8 Ų862.5 Ų62.56%0.05631%0.312CS..Hα-helixtrans-57-31.1175.5-52.10000112.9R124 Q128 T129 A130R124-S126 PolarHBondContact O-N 3.15Å; S126-Q128 VanDerWaalsContact C-N 3.34Å; S126-Q128 PolarHBondContact O-N 2.66Å; S126-T129 VanDerWaalsContact C-OG1 3.29Å; S126-T129 VanDerWaalsContact CA-OG1 3.25Å; S126-T129 WeakPolarHBondContact CA-OG1 3.22Å; S126-T129 PolarHBondContact O-OG1 3.5Å; S126-A130 VanDerWaalsContact O-CB 3.24Å; S126-A130 WeakPolarHBondContact O-CB 3.05Å; S126-A130 PolarHBondContact O-N 2.72Å
127V93.9Very high94.1Very high14 Ų1463.9 Ų63.99%0.08533%0.326CS..Hα-helixtrans-62.4-43.1176.2177.10000110.4R73 V75 F121 R124 D125 A130 M131 P147R73-V127 VanDerWaalsContact C-CG2 3.47Å; R73-V127 WeakPolarHBondContact O-CG2 3.43Å; V75-V127 HydrophobicContact CG1-CB 4.27Å; V75-V127 HydrophobicContact CG1-CG1 3.74Å; V75-V127 HydrophobicContact CG1-CG2 4.43Å; F121-V127 HydrophobicContact CD2-CG2 4.2Å; R124-V127 VanDerWaalsContact O-CB 3.27Å; R124-V127 WeakPolarHBondContact O-CB 3.26Å; R124-V127 PolarHBondContact O-N 2.66Å; R124-V127 VanDerWaalsContact O-N 3.16Å; D125-V127 PolarHBondContact O-N 3.1Å; V127-A130 PolarHBondContact O-N 3.5Å; V127-M131 WeakPolarHBondContact O-CG 2.9Å; V127-M131 PolarHBondContact O-N 2.94Å; V127-P147 HydrophobicContact CG1-CB 4.44Å
128Q93.7Very high94Very high148 Ų14864.6 Ų64.669%0.69233%0.329SS*.Hα-helixtrans-72.4-36.8-176.9-172.5151.4-100112D125 S126 M131 S132D125-Q128 PolarHBondContact O-N 3.4Å; S126-Q128 VanDerWaalsContact C-N 3.34Å; S126-Q128 PolarHBondContact O-N 2.66Å; Q128-M131 PolarHBondContact O-N 2.86Å; Q128-S132 PolarHBondContact O-OG 2.82Å
129T94.5Very high93.7Very high65 Ų6565.4 Ų65.440%0.39933%0.332SS..Hα-helixtrans-66.3-40.5170.643.80000111.9C96 D125 S126 M131 S132C96-T129 PolarHBondContact O-OG1 3.19Å; C96-T129 VanDerWaalsContact O-OG1 3.08Å; D125-T129 PolarHBondContact O-N 2.89Å; D125-T129 PolarHBondContact O-OG1 2.97Å; S126-T129 VanDerWaalsContact C-OG1 3.29Å; S126-T129 VanDerWaalsContact CA-OG1 3.25Å; S126-T129 WeakPolarHBondContact CA-OG1 3.22Å; S126-T129 PolarHBondContact O-OG1 3.5Å; T129-M131 VanDerWaalsContact C-N 3.3Å; T129-M131 PolarHBondContact O-N 3.13Å; T129-S132 VanDerWaalsContact O-CB 3.24Å; T129-S132 WeakPolarHBondContact O-CB 3.48Å; T129-S132 PolarHBondContact O-N 3.16Å
130A94.8Very high93.5Very high0 Ų073 Ų730%037%0.373CS..Hα-helixtrans-64.4-3517700000112.2V75 F93 C96 F121 S126 V127 S132 L133 V145V75-A130 HydrophobicContact CG1-CB 4.08Å; F93-A130 HydrophobicContact CD1-CB 4.05Å; F93-A130 HydrophobicContact CE1-CB 4.25Å; C96-A130 HydrophobicContact CB-CB 4.23Å; F121-A130 HydrophobicContact CE2-CB 3.75Å; F121-A130 HydrophobicContact CZ-CB 3.76Å; S126-A130 VanDerWaalsContact O-CB 3.24Å; S126-A130 WeakPolarHBondContact O-CB 3.05Å; S126-A130 PolarHBondContact O-N 2.72Å; V127-A130 PolarHBondContact O-N 3.5Å; A130-S132 PolarHBondContact O-N 2.72Å; A130-L133 WeakPolarHBondContact O-CB 3.38Å; A130-L133 PolarHBondContact O-N 3.45Å; A130-V145 WeakPolarHBondContact O-CG1 3.4Å
131M94.8Very high93.4Very high82 Ų8274.9 Ų74.940%0.40438%0.379SS..Hα-helixtrans-61.6-22.8171.6-73.9-179.166.600113.4V127 Q128 T129 L133 D134 P147V127-M131 WeakPolarHBondContact O-CG 2.9Å; V127-M131 PolarHBondContact O-N 2.94Å; Q128-M131 PolarHBondContact O-N 2.86Å; T129-M131 VanDerWaalsContact C-N 3.3Å; T129-M131 PolarHBondContact O-N 3.13Å; M131-L133 PolarHBondContact O-N 3.21Å; M131-D134 WeakPolarHBondContact O-CB 3.27Å; M131-D134 PolarHBondContact O-N 3.46Å; M131-P147 HydrophobicContact CE-CG 4.47Å; M131-P147 HydrophobicContact SD-CB 4.44Å; M131-P147 HydrophobicContact SD-CG 4.2Å
132S94.5Very high93.4Very high96 Ų9678.5 Ų78.567%0.67140%0.4SS*.THydrogen-bonded Turntrans-75.2-13.8175.1-53.30000112.6Q128 T129 A130 D134Q128-S132 PolarHBondContact O-OG 2.82Å; T129-S132 VanDerWaalsContact O-CB 3.24Å; T129-S132 WeakPolarHBondContact O-CB 3.48Å; T129-S132 PolarHBondContact O-N 3.16Å; A130-S132 PolarHBondContact O-N 2.72Å; S132-D134 VanDerWaalsContact C-N 3.29Å
133L92.3Very high93.6Very high47 Ų4773.4 Ų73.425%0.24638%0.377CS..THydrogen-bonded Turntrans-90.412.9171.2-59.9-177.4000112.8F93 C96 A130 M131 T136F93-L133 HydrophobicContact CD1-CD1 4.11Å; F93-L133 HydrophobicContact CE1-CB 4.44Å; F93-L133 HydrophobicContact CE1-CD1 4.2Å; C96-L133 WeakPolarHBondContact SG-CD1 3.48Å; A130-L133 WeakPolarHBondContact O-CB 3.38Å; A130-L133 PolarHBondContact O-N 3.45Å; M131-L133 PolarHBondContact O-N 3.21Å; L133-T136 HydrophobicContact CB-CG2 4.08Å; L133-T136 HydrophobicContact CD2-CG2 4.19Å; L133-T136 WeakPolarHBondContact O-CB 3.26Å; L133-T136 VanDerWaalsContact O-CG2 3.24Å; L133-T136 WeakPolarHBondContact O-CG2 3.11Å; L133-T136 PolarHBondContact O-N 3.02Å; L133-T136 PolarHBondContact O-OG1 2.87Å
134D94.5Very high93.7Very high57 Ų5775.3 Ų75.331%0.30538%0.382SS..THydrogen-bonded Turntrans-59.7143.5169.9-169.242.4000110.5M131 S132 T136 K144 V145M131-D134 WeakPolarHBondContact O-CB 3.27Å; M131-D134 PolarHBondContact O-N 3.46Å; S132-D134 VanDerWaalsContact C-N 3.29Å; D134-T136 PolarHBondContact O-N 3.2Å; D134-K144 WeakPolarHBondContact OD1-CA 3.48Å; D134-V145 HydrophobicContact CB-CB 4.34Å; D134-V145 PolarHBondContact OD1-N 3.27Å
135E93.8Very high93.9Very high149 Ų14969 Ų6970%0.69636%0.358SS*.THydrogen-bonded Turntrans62.218.7-177.9-51.8-172.9156.500115.7V142 I143E135-V142 HydrophobicContact CB-CG1 4.1Å; E135-I143 VanDerWaalsContact CA-O 3.32Å; E135-I143 WeakPolarHBondContact CA-O 3.35Å; E135-I143 PolarHBondContact N-O 3.48Å; E135-I143 VanDerWaalsContact N-O 3.09Å
136T93.7Very high93.9Very high37 Ų3766 Ų6623%0.22734%0.342CS..  trans-77.5157.5171.257.40000112L133 D134 V142 I143L133-T136 HydrophobicContact CB-CG2 4.08Å; L133-T136 HydrophobicContact CD2-CG2 4.19Å; L133-T136 WeakPolarHBondContact O-CB 3.26Å; L133-T136 VanDerWaalsContact O-CG2 3.24Å; L133-T136 WeakPolarHBondContact O-CG2 3.11Å; L133-T136 PolarHBondContact O-N 3.02Å; L133-T136 PolarHBondContact O-OG1 2.87Å; D134-T136 PolarHBondContact O-N 3.2Å; T136-V142 CarbonylContact O-C 3.59Å; T136-V142 WeakPolarHBondContact O-CA 3.1Å; T136-I143 VanDerWaalsContact O-CG1 3.32Å; T136-I143 WeakPolarHBondContact O-CG1 3.5Å; T136-I143 PolarHBondContact O-N 3.42Å
137V93.7Very high93.9Very high96 Ų9668.7 Ų68.758%0.58236%0.359SS*.EExtended strand (participates in β ladder)trans-89.7125.2178.3-176.60000109.6V142V137-V142 HydrophobicContact CG2-CG2 4.24Å
138F93.1Very high93.8Very high14 Ų1470.1 Ų70.16%0.06136%0.364CS..EExtended strand (participates in β ladder)trans-127.8118.9172.9175.9-93.5000109V80 A84 E88 L89 H92 D140 R141 I143V80-F138 HydrophobicContact CG1-CE1 4.2Å; A84-F138 HydrophobicContact CB-CE1 3.7Å; A84-F138 HydrophobicContact CB-CZ 4.13Å; E88-F138 HydrophobicContact CB-CE2 4.15Å; E88-F138 HydrophobicContact CB-CZ 3.9Å; L89-F138 HydrophobicContact CD2-CE1 4.25Å; L89-F138 HydrophobicContact CD2-CE2 4.28Å; L89-F138 HydrophobicContact CD2-CZ 4.02Å; L89-F138 HydrophobicContact CG-CZ 4.44Å; H92-F138 HydrophobicContact CB-CD2 4.34Å; H92-F138 HydrophobicContact CB-CE2 4.39Å; F138-D140 VanDerWaalsContact C-N 3.31Å; F138-D140 PolarHBondContact O-N 3.22Å; F138-R141 PolarHBondContact N-O 3.37Å; F138-R141 PolarHBondContact O-N 3.47Å; F138-I143 HydrophobicContact CB-CD1 4.34Å; F138-I143 HydrophobicContact CB-CG1 4.37Å; F138-I143 HydrophobicContact CB-CG2 3.7Å; F138-I143 HydrophobicContact CD1-CG2 4.42Å; F138-I143 HydrophobicContact CG-CG2 4.38Å
139R88.3Confident93.2Very high90 Ų9071.1 Ų71.134%0.3436%0.362SS..THydrogen-bonded Turntrans43.555.5-177.9-57.8179.750165.5-8.2112.8E81 G83 E88 R141E81-R139 HydrophobicContact CB-CB 4.5Å; E81-R139 IonicContact OE1-CZ 3.97Å; E81-R139 IonicContact OE1-NE 3.02Å; E81-R139 IonicContact OE1-NH2 3.82Å; E81-R139 PolarHBondContact OE1-NH2 2.86Å; E81-R139 WeakPolarHBondContact OE2-CB 3.31Å; E81-R139 WeakPolarHBondContact OE2-CD 3.41Å; E81-R139 IonicContact OE2-CZ 3.02Å; E81-R139 VanDerWaalsContact OE2-CZ 3.31Å; E81-R139 IonicContact OE2-NE 3.25Å; E81-R139 PolarHBondContact OE2-NE 3.28Å; E81-R139 IonicContact OE2-NH2 3.31Å; E81-R139 PolarHBondContact OE2-NH2 2.91Å; G83-R139 PolarHBondContact O-NH1 2.91Å; E88-R139 VanDerWaalsContact CD-NH1 3.28Å; E88-R139 IonicContact OE1-CZ 2.82Å; E88-R139 IonicContact OE1-NH1 2.63Å; E88-R139 PolarHBondContact OE1-NH1 2.98Å; E88-R139 WeakPolarHBondContact OE2-CD 3.46Å; E88-R139 IonicContact OE2-CZ 3.43Å; E88-R139 IonicContact OE2-NE 3.38Å; E88-R139 IonicContact OE2-NH1 2.66Å; E88-R139 PolarHBondContact OE2-NH1 2.95Å; R139-R141 PolarHBondContact O-N 3.35Å; R139-R141 VanDerWaalsContact O-N 3.15Å
140D91.6Very high92.4Very high161 Ų16169.5 Ų69.586%0.86135%0.352SS*.THydrogen-bonded Turntrans65.89179.8-52.7-40000116.5F138F138-D140 VanDerWaalsContact C-N 3.31Å; F138-D140 PolarHBondContact O-N 3.22Å
141R92.9Very high91Very high64 Ų6476.6 Ų76.624%0.24239%0.39CS..EExtended strand (participates in β ladder)trans-119.4136.8175.1-63.5178.369.3164.90.3110.6N79 F138 R139 I143N79-R141 PolarHBondContact O-NE 3.22Å; N79-R141 PolarHBondContact OD1-NH2 2.65Å; F138-R141 PolarHBondContact N-O 3.37Å; F138-R141 PolarHBondContact O-N 3.47Å; R139-R141 PolarHBondContact O-N 3.35Å; R139-R141 VanDerWaalsContact O-N 3.15Å; R141-I143 PolarHBondContact O-N 3.17Å
142V95.7Very high89.3Confident75 Ų7576.5 Ų76.546%0.45539%0.389SS..EExtended strand (participates in β ladder)trans-74.2116.9172.4178.40000108.6N79 E135 T136 V137N79-V142 PolarHBondContact ND2-O 3.1Å; E135-V142 HydrophobicContact CB-CG1 4.1Å; T136-V142 CarbonylContact O-C 3.59Å; T136-V142 WeakPolarHBondContact O-CA 3.1Å; V137-V142 HydrophobicContact CG2-CG2 4.24Å
143I95.9Very high87.4Confident2 Ų277 Ų771%0.0139%0.39CS..  trans-85.3154.6178.355.2164.9000111V77 G78 F93 E135 T136 F138 R141 V145V77-I143 HydrophobicContact CG1-CB 4.18Å; V77-I143 HydrophobicContact CG1-CD1 4.14Å; V77-I143 HydrophobicContact CG1-CG2 4.43Å; G78-I143 WeakPolarHBondContact O-CA 3.3Å; F93-I143 HydrophobicContact CE2-CD1 4.32Å; F93-I143 HydrophobicContact CZ-CD1 3.9Å; E135-I143 VanDerWaalsContact CA-O 3.32Å; E135-I143 WeakPolarHBondContact CA-O 3.35Å; E135-I143 PolarHBondContact N-O 3.48Å; E135-I143 VanDerWaalsContact N-O 3.09Å; T136-I143 VanDerWaalsContact O-CG1 3.32Å; T136-I143 WeakPolarHBondContact O-CG1 3.5Å; T136-I143 PolarHBondContact O-N 3.42Å; F138-I143 HydrophobicContact CB-CD1 4.34Å; F138-I143 HydrophobicContact CB-CG1 4.37Å; F138-I143 HydrophobicContact CB-CG2 3.7Å; F138-I143 HydrophobicContact CD1-CG2 4.42Å; F138-I143 HydrophobicContact CG-CG2 4.38Å; R141-I143 PolarHBondContact O-N 3.17Å; I143-V145 HydrophobicContact CD1-CG2 4.1Å
144K95.8Very high85.8Confident111 Ų11178.6 Ų78.648%0.48342%0.418SS..EExtended strand (participates in β ladder)trans-114.6121.5175-176169.3-169.6167.90110V77 G78 D134 L146V77-K144 CarbonylContact C-O 3.56Å; V77-K144 WeakPolarHBondContact CA-O 3.36Å; G78-K144 PolarHBondContact N-O 3.36Å; G78-K144 PolarHBondContact O-N 2.63Å; D134-K144 WeakPolarHBondContact OD1-CA 3.48Å; K144-L146 HydrophobicContact CD-CD1 4.49Å; K144-L146 HydrophobicContact CG-CG 4.34Å
145V95.8Very high84.1Confident2 Ų281.2 Ų81.21%0.01243%0.431CS..EExtended strand (participates in β ladder)trans-111.9122.3-178.3-170.80000109.5V75 Y76 F93 A130 D134 I143V75-V145 HydrophobicContact CB-CG1 4.21Å; V75-V145 HydrophobicContact CG1-CG1 4.43Å; Y76-V145 WeakPolarHBondContact O-CA 3.33Å; F93-V145 HydrophobicContact CE1-CG1 4.34Å; F93-V145 HydrophobicContact CE1-CG2 4.05Å; F93-V145 HydrophobicContact CZ-CG2 3.84Å; A130-V145 WeakPolarHBondContact O-CG1 3.4Å; D134-V145 HydrophobicContact CB-CB 4.34Å; D134-V145 PolarHBondContact OD1-N 3.27Å; I143-V145 HydrophobicContact CD1-CG2 4.1Å
146L94.8Very high82.2Confident68 Ų6878.5 Ų78.536%0.35643%0.428SS..EExtended strand (participates in β ladder)trans-133155.1177-64.3174.8000109.7V75 Y76 K144 K148V75-L146 CarbonylContact C-O 3.55Å; V75-L146 WeakPolarHBondContact CA-O 3.15Å; Y76-L146 HydrophobicContact CD1-CB 4.03Å; Y76-L146 HydrophobicContact CD1-CD1 4.17Å; Y76-L146 HydrophobicContact CD1-CG 4.37Å; Y76-L146 HydrophobicContact CE1-CD1 4.35Å; Y76-L146 PolarHBondContact N-O 3.38Å; Y76-L146 PolarHBondContact O-N 2.66Å; K144-L146 HydrophobicContact CD-CD1 4.49Å; K144-L146 HydrophobicContact CG-CG 4.34Å; L146-K148 PolarHBondContact O-N 3.28Å
147P93.2Very high80.4Confident64 Ų6480.4 Ų80.442%0.41644%0.44SS..EExtended strand (participates in β ladder)trans-61.5140.6168.626.1-32.8000110.1V127 M131 R149V127-P147 HydrophobicContact CG1-CB 4.44Å; M131-P147 HydrophobicContact CE-CG 4.47Å; M131-P147 HydrophobicContact SD-CB 4.44Å; M131-P147 HydrophobicContact SD-CG 4.2Å; P147-R149 PolarHBondContact O-N 3.43Å
148K91.7Very high78.6Confident44 Ų4479.1 Ų79.119%0.19143%0.432CS..PPolyproline II helixtrans-64.8137.2176.6-174.3-179.1-178.1-1700109D71 S74 Y118 L146 T150D71-K148 HydrophobicContact CB-CD 4.36Å; D71-K148 WeakPolarHBondContact OD1-CE 3.42Å; D71-K148 IonicContact OD1-NZ 3.32Å; D71-K148 PolarHBondContact OD1-NZ 2.79Å; S74-K148 VanDerWaalsContact O-CB 3.22Å; S74-K148 WeakPolarHBondContact O-CB 3.4Å; S74-K148 PolarHBondContact O-N 2.74Å; Y118-K148 HydrophobicContact CD1-CB 4.48Å; Y118-K148 HydrophobicContact CD1-CD 3.84Å; Y118-K148 HydrophobicContact CD1-CG 3.84Å; Y118-K148 HydrophobicContact CE1-CD 4.3Å; Y118-K148 HydrophobicContact CE1-CG 3.92Å; Y118-K148 HydrophobicContact CG-CD 4.43Å; L146-K148 PolarHBondContact O-N 3.28Å; K148-T150 PolarHBondContact O-N 2.72Å
149R82.9Confident76.8Confident170 Ų17084.8 Ų84.864%0.64246%0.463SS*.PPolyproline II helixtrans-80.1118.1176-67.9-178.5175.2-155.2-6.4109.3P147 N151P147-R149 PolarHBondContact O-N 3.43Å; R149-N151 PolarHBondContact O-N 3.1Å
150T77.1Confident75.2Confident30 Ų3091.4 Ų91.418%0.18449%0.488CS..PPolyproline II helixtrans-62.8122.616750.90000109.1I68 D71 N72 K148 M152I68-T150 HydrophobicContact CG2-CG2 4.29Å; D71-T150 HydrophobicContact CB-CG2 3.66Å; N72-T150 VanDerWaalsContact OD1-CG2 3.3Å; N72-T150 WeakPolarHBondContact OD1-CG2 3.41Å; K148-T150 PolarHBondContact O-N 2.72Å; T150-M152 PolarHBondContact O-N 3.34Å
151N64Low73Confident149 Ų14985.3 Ų85.380%0.79746%0.464SS*.  trans-80.967.6175.9-157.18.4000109.6R149 P153R149-N151 PolarHBondContact O-N 3.1Å; N151-P153 VanDerWaalsContact O-CD 3.31Å; N151-P153 WeakPolarHBondContact O-CD 3.27Å
152M59.9Low71Confident80 Ų8090 Ų9039%0.39449%0.491SS..  trans-70.4115.9176.5-73.9-115.4-83.300109I68 T150 G154 I155I68-M152 HydrophobicContact CD1-SD 4.13Å; T150-M152 PolarHBondContact O-N 3.34Å; M152-G154 PolarHBondContact O-N 2.92Å; M152-G154 VanDerWaalsContact O-N 3.11Å; M152-I155 PolarHBondContact O-N 3.24Å
153P55.4Low68.8Low106 Ų10694.8 Ų94.869%0.68851%0.509SS*.THydrogen-bonded Turntrans-61.7119178.124.6-31.9000109.5N151N151-P153 VanDerWaalsContact O-CD 3.31Å; N151-P153 WeakPolarHBondContact O-CD 3.27Å
154G58.2Low66.6Low81 Ų81106.4 Ų106.484%0.83555%0.552SS**THydrogen-bonded Turntrans103.7-12.717600000116.3M152M152-G154 PolarHBondContact O-N 2.92Å; M152-G154 VanDerWaalsContact O-N 3.11Å
155I58.8Low64.4Low113 Ų113104.4 Ų104.458%0.57956%0.563SS**  trans-127.987.4174.8-57.3167000107.5M152 T157M152-I155 PolarHBondContact O-N 3.24Å; I155-T157 PolarHBondContact O-N 3.1Å; I155-T157 VanDerWaalsContact O-N 3.13Å
156S54Low62Low91 Ų91108.8 Ų108.864%0.63660%0.599SS**  trans-72106.3170.5-176.60000108.4T158S156-T158 PolarHBondContact O-N 3.47Å; S156-T158 WeakPolarHBondContact OG-CB 3.31Å; S156-T158 PolarHBondContact OG-N 3.17Å; S156-T158 PolarHBondContact OG-OG1 2.92Å
157T56.1Low59.8Low77 Ų77116.8 Ų116.847%0.47263%0.625SS.*  trans-65.417.9164.5-38.80000111.9I155 D159I155-T157 PolarHBondContact O-N 3.1Å; I155-T157 VanDerWaalsContact O-N 3.13Å; T157-D159 PolarHBondContact O-N 3.4Å
158T55.9Low57.6Low69 Ų69118.9 Ų118.942%0.42364%0.641SS.*  trans-72.170.4158.8-49.50000107.4S156 R160S156-T158 PolarHBondContact O-N 3.47Å; S156-T158 WeakPolarHBondContact OG-CB 3.31Å; S156-T158 PolarHBondContact OG-N 3.17Å; S156-T158 PolarHBondContact OG-OG1 2.92Å; T158-R160 HydrophobicContact CG2-CB 4.24Å; T158-R160 HydrophobicContact CG2-CG 3.83Å; T158-R160 PolarHBondContact O-N 3.24Å
159D55.4Low55.4Low134 Ų134128.2 Ų128.272%0.71768%0.675SS**  trans-65.469.6153.8-94.2-53.2000108.5T157T157-D159 PolarHBondContact O-N 3.4Å
160R53.4Low53.5Low229 Ų229123.8 Ų123.886%0.86468%0.682SS**SBendtrans-87.447.9141-67.3-170.3-158.9159.34.8108.1T158T158-R160 HydrophobicContact CG2-CB 4.24Å; T158-R160 HydrophobicContact CG2-CG 3.83Å; T158-R160 PolarHBondContact O-N 3.24Å
161G45.5Very low52Low33 Ų33134.1 Ų134.134%0.3472%0.718SS.*  trans49.3111.9166.900000115.5H163G161-H163 PolarHBondContact O-N 2.82Å
162I50.8Low51Low161 Ų161130.5 Ų130.583%0.82672%0.716SS**THydrogen-bonded Turntrans-61.625.2148.2-69.1171.6000111.2
163H51Low50.2Low176 Ų176135.6 Ų135.682%0.81574%0.736SS**THydrogen-bonded Turntrans-132.740.6179.7-60.6-47.1000111.8G161G161-H163 PolarHBondContact O-N 2.82Å
164R49.8Very low49.5Very low247 Ų247139.2 Ų139.293%0.93274%0.744SS**SBendtrans-136.680.7159.5-137.9-174.6-85.9-170.1-3.1110.9
165G47.7Very low48.9Very low69 Ų69139.6 Ų139.671%0.71173%0.732SS**  trans11416.3150.600000118.8R167G165-R167 PolarHBondContact O-N 2.86Å
166A46.7Very low48.3Very low93 Ų93140.5 Ų140.577%0.76975%0.745SS**  trans-74.973.6167.500000110.6S168A166-S168 PolarHBondContact O-N 3.34Å
167R48.8Very low47.9Very low236 Ų236147.8 Ų147.889%0.89176%0.758SS**  trans-68.364.8153.6-64.9179.2-175.9169.60.9107.8G165 R169G165-R167 PolarHBondContact O-N 2.86Å; R167-R169 PolarHBondContact O-N 3.11Å
168S45.5Very low46.8Very low109 Ų109154.8 Ų154.876%0.76278%0.777SS**  trans-69.192.8161.8-890000106.2A166 G170A166-S168 PolarHBondContact O-N 3.34Å; S168-G170 VanDerWaalsContact C-N 3.35Å; S168-G170 PolarHBondContact O-N 2.87Å
169R46.8Very low46Very low239 Ų239158.3 Ų158.390%0.90279%0.794SS**  trans-50.6105.3162.1-75.2-179.7172.5152.8-3.2106.8R167 R171R167-R169 PolarHBondContact O-N 3.11Å; R169-R171 PolarHBondContact O-N 3.13Å
170G42.3Very low44.9Very low77 Ų77154.4 Ų154.479%0.79479%0.785SS**  trans-50.4112.5179.100000110.5S168S168-G170 VanDerWaalsContact C-N 3.35Å; S168-G170 PolarHBondContact O-N 2.87Å
171R45.7Very low44.2Very low248 Ų248153.8 Ų153.894%0.93678%0.784SS**  trans-80.2120.6149.4-93.9-175.2171.2-160.7-1.9106R169R169-R171 PolarHBondContact O-N 3.13Å
172G42.8Very low43.9Very low73 Ų73160.3 Ų160.375%0.75381%0.806SS**  trans-54.3136.9-168.400000113.7
173F42.8Very low43.3Very low187 Ų187161 Ų16182%0.8281%0.806SS**  trans-111.896.9155.7-170-101.4000106.3P175F173-P175 WeakPolarHBondContact O-CD 3.33Å
174H41.3Very low42.5Very low181 Ų181155.8 Ų155.884%0.83880%0.799SS**  trans-85.7113.7168-78.7-40.9000108
175P46.3Very low41.8Very low90 Ų90155.9 Ų155.958%0.58480%0.8SS**PPolyproline II helixtrans-70.3143.9164.827.9-30.7000109.7F173 R177F173-P175 WeakPolarHBondContact O-CD 3.33Å; P175-R177 PolarHBondContact O-N 3.33Å
176P45.5Very low41Very low131 Ų131161.8 Ų161.885%0.85181%0.806SS**PPolyproline II helixtrans-67.6129-176.125.4-31.3000110.9Y178P176-Y178 PolarHBondContact O-N 3.11Å
177R45.2Very low40.5Very low245 Ų245167.9 Ų167.993%0.92581%0.81SS**PPolyproline II helixtrans-71.3124171.4-68.9-164.5-175.4-120.25.1109.6P175P175-R177 PolarHBondContact O-N 3.33Å
178Y32.5Very low39.8Very low223 Ų223165.7 Ų165.788%0.87580%0.802SS**  trans-128.3116.3155.8-140.8-99.5000110P176P176-Y178 PolarHBondContact O-N 3.11Å
179N39.4Very low39.5Very low144 Ų144167.6 Ų167.677%0.7780%0.804SS**  trans73134.2149.3-142.936.4000122.6
180G33.6Very low39Very low52 Ų52163 Ų16354%0.53680%0.803SS.*  11495.3129.800000118.2
181Y37.3Very low38.6Very low215 Ų215162.2 Ų162.284%0.84379%0.794SS**  trans36.4115.3141.6-61.2-85.5000120.2
182Q39.1Very low39Very low170 Ų170156.6 Ų156.679%0.79479%0.79SS**  160.3129.2113.5-92.8170.429.900113.4
183Q38.3Very low38.5Very low176 Ų176157.8 Ų157.882%0.82279%0.793SS**  trans62.9105.5147.2-48.9-77.311.400116
184G34.9Very low38.4Very low66 Ų66160.4 Ų160.468%0.6880%0.797SS**  87.582.951.600000110.6
185R35.2Very low38.4Very low249 Ų249157.7 Ų157.794%0.9480%0.799SS**  trans-150.6114.2149-85.8-152.7179.8-96.1-0.7111.5
186F31.3Very low38.1Very low194 Ų194159.1 Ų159.185%0.85181%0.806SS**  trans-56.7136.2162.8-77-102000111.4
187R35.3Very low37.8Very low221 Ų221158 Ų15883%0.83480%0.801SS**  trans-135.6144.8139.8-90.3-158.5-172.5-162.34.1109.8
188Y35.6Very low38Very low189 Ų189151.2 Ų151.274%0.74179%0.789SS**  trans-77.3138.4-159.3-10-85.7000111.8
189N39Very low38.3Very low150 Ų150149.2 Ų149.280%0.80279%0.787SS**  trans-21.4125.8154.1-160.732.3000116.9
190T36.6Very low39.1Very low143 Ų143146.8 Ų146.888%0.87778%0.779SS**  trans-150.896.5137.9180000108.6
191G33.7Very low39.5Very low59 Ų59155.4 Ų155.461%0.60880%0.797SS**  trans-86.1-170.3150.900000110
192P52.5Low39.6Very low130 Ų130148.3 Ų148.384%0.84479%0.789SS**  cis-130.6171.34.439.1-20.1000112.3
193A33.2Very low40.4Very low99 Ų99146.3 Ų146.382%0.81879%0.791SS**  -169.5134.791.500000111.4
194R41Very low40.8Very low242 Ų242144 Ų14491%0.91379%0.791SS**  trans-92.1138162.3-71.5173.1172.1-110.70.7108
195S40.3Very low41.3Very low124 Ų124145.9 Ų145.987%0.86780%0.8SS**  trans-139.2143.5148.658.20000108.9
196V40.3Very low41.8Very low120 Ų120137.7 Ų137.773%0.72779%0.794SS**  trans-110.4128.4-158.2169.20000110
197S39.9Very low42.2Very low107 Ų107138.6 Ų138.675%0.74880%0.797SS**  trans59.2173.7148.6-55.20000120.4
198P49.1Very low42.5Very low103 Ų103139 Ų13967%0.66980%0.799SS**  cis-137.2151.5-31.921.52.2000117.1
199H39.2Very low42.9Very low180 Ų180137.9 Ų137.983%0.83380%0.8SS**  trans61.1174.9148-64.593000121
200P55.6Low43Very low94 Ų94142.1 Ų142.161%0.6181%0.805SS**  -130.5174-55.934-15.6000113.3
201Y42.4Very low43.1Very low233 Ų233138.1 Ų138.191%0.91479%0.791SS**  trans82.1101.7171-57.2-78.3000119.4
202G40Very low43.9Very low66 Ų66141.8 Ų141.868%0.6880%0.802SS**  trans178.6103.2156.700000110.7
203P54.6Low43.7Very low127 Ų127141.4 Ų141.483%0.82580%0.799SS**PPolyproline II helixtrans-76.8131.3175.229.6-29.7000109.8
204P47.7Very low44.2Very low128 Ų128145.1 Ų145.183%0.83180%0.8SS**PPolyproline II helixtrans-73.7137.9168.927.8-30.3000110.8
205A45.8Very low44.7Very low106 Ų106142.8 Ų142.888%0.87680%0.799SS**PPolyproline II helixtrans-58.5153-176.600000114.5
206G43.9Very low44.8Very low77 Ų77148.2 Ų148.279%0.79480%0.8SS**  trans117.265.7152.700000116.3
207K40.6Very low44.8Very low213 Ų213151.4 Ų151.493%0.92681%0.807SS**  trans-99.8111.2156.1-66.9-173.3-178.9-174.80108.3H209K207-H209 PolarHBondContact O-N 2.74Å
208R42.3Very low45.2Very low230 Ų230156 Ų15687%0.86882%0.817SS**PPolyproline II helixtrans-67.3121.3166.3-62.7177.6-142.3-107-1107.3
209H42.2Very low44.9Very low165 Ų165154.1 Ų154.176%0.76482%0.816SS**PPolyproline II helixtrans-68.8131170.878.997.7000108.2K207K207-H209 PolarHBondContact O-N 2.74Å
210W41.5Very low45.5Very low239 Ų239151.3 Ų151.391%0.90581%0.814SS**PPolyproline II helixtrans-99.6122.6156.8-72.798.2000105.7
211G39.2Very low45.7Very low58 Ų58156.2 Ų156.260%0.59883%0.825SS**PPolyproline II helixtrans-55.2141.3-173.600000112.9
212V50.2Low45.8Very low136 Ų136156.3 Ų156.382%0.82482%0.824SS**PPolyproline II helixtrans-66.8131166.6-179.80000108.4
213P47.8Very low46.3Very low122 Ų122161.3 Ų161.379%0.79283%0.83SS**  trans-85.1113157.8-0.119000108.7
214E43.8Very low46.1Very low178 Ų178160.7 Ų160.783%0.83283%0.825SS**  trans-37.1133.4166.6-169.3168.6-169.900114.4R216E214-R216 PolarHBondContact O-N 2.76Å; E214-R216 VanDerWaalsContact O-N 3.11Å
215H51.2Low45.7Very low192 Ų192159.6 Ų159.689%0.88982%0.82SS**  trans-58.8108.9167.2-93.4-102.8000109.2
216R43Very low46Very low239 Ų239162.4 Ų162.490%0.90282%0.819SS**  trans-101.1122.3167.3-165.9167.2176.7165.8-2110.3E214E214-R216 PolarHBondContact O-N 2.76Å; E214-R216 VanDerWaalsContact O-N 3.11Å
217E41.7Very low46.2Very low186 Ų186166.8 Ų166.887%0.86982%0.824SS**  trans-52.3139.8-173.8-58.9178.313100113.9G219E217-G219 PolarHBondContact O-N 3.4Å
218Q47.7Very low46.7Very low205 Ų205163.9 Ų163.996%0.95882%0.817SS**  trans-77.8100.4172.4-80.71573.200109.7
219G42.3Very low46.8Very low63 Ų63160.8 Ų160.865%0.64982%0.816SS**  trans-77.7157.5163.400000112.2E217E217-G219 PolarHBondContact O-N 3.4Å
220P52Low47.5Very low121 Ų121158.8 Ų158.879%0.78682%0.816SS**  trans-76.9144.5-15730.5-34.5000113.6R222P220-R222 PolarHBondContact O-N 2.83Å; P220-R222 VanDerWaalsContact O-N 3.13Å
221K59.7Low48.6Very low196 Ų196152.1 Ų152.185%0.85280%0.803SS**  trans-54.3110.3172.8-62.6175-179.5177.80110.1
222R44.3Very low49.7Very low235 Ų235155.7 Ų155.789%0.88782%0.816SS**  trans-90.499.9165.7-70-174.9168.4-160.9-3.5108.6P220P220-R222 PolarHBondContact O-N 2.83Å; P220-R222 VanDerWaalsContact O-N 3.13Å
223H50.9Low50.1Low172 Ų172155 Ų15580%0.79681%0.812SS**  trans-73.3132.9139.4-59.9-78.5000105.5
224P50.5Low50.5Low113 Ų113156.3 Ų156.373%0.73481%0.813SS**  -154.7-174.685.537.4-13000110.2
225C39.5Very low50.9Low105 Ų105155.9 Ų155.971%0.70981%0.81SS**  cis-151.714919.8-60.80000108.6L227C225-L227 PolarHBondContact O-N 2.84Å
226L51.7Low50.8Low166 Ų166151.9 Ų151.987%0.86980%0.804SS**  trans-39121.1141.9-72.7148.4000110.6
227L48.9Very low50.9Low169 Ų169144 Ų14489%0.88580%0.796SS**  trans-111.6117.7155.8-88.7169.4000107.8C225C225-L227 PolarHBondContact O-N 2.84Å
228L49.6Very low51.8Low151 Ų151141.5 Ų141.579%0.79180%0.797SS**  trans-61.9133.4-177.8-65.3155.8000109.4T230L228-T230 PolarHBondContact O-N 2.94Å; L228-T230 VanDerWaalsContact O-N 3.14Å
229I46Very low51.6Low165 Ų165134.8 Ų134.885%0.84678%0.782SS**  trans-66.5105.4162.9-61.3164.4000106.2
230T55.8Low51.8Low123 Ų123140.9 Ų140.976%0.75579%0.793SS**  trans-81.6122.7160.346.50000107.8L228L228-T230 PolarHBondContact O-N 2.94Å; L228-T230 VanDerWaalsContact O-N 3.14Å
231P64.3Low51.9Low100 Ų100140.3 Ų140.365%0.64979%0.793SS**  trans-68.4149.8174.429.4-33.9000110.3T233P231-T233 PolarHBondContact O-N 2.91Å; P231-T233 VanDerWaalsContact O-N 3.15Å
232P63.6Low51.1Low132 Ų132134.5 Ų134.586%0.85779%0.788SS**  trans-65.7115.9172.127.1-31.2000109.1D234P232-D234 PolarHBondContact O-N 3.04Å
233T57.4Low51.6Low121 Ų121132.5 Ų132.574%0.74279%0.788SS**  trans-70.5117.5168.138.30000109.5P231P231-T233 PolarHBondContact O-N 2.91Å; P231-T233 VanDerWaalsContact O-N 3.15Å
234D57Low51.8Low151 Ų151133 Ų13381%0.80779%0.793SS**  trans-57.7123.8162.3-152.41.4000109.5P232P232-D234 PolarHBondContact O-N 3.04Å
235H52.3Low52.5Low169 Ų169136.1 Ų136.178%0.78280%0.797SS**  trans-134.391.7165.9-98.2-57.2000109.4
236S48.8Very low53.8Low108 Ų108136.5 Ų136.576%0.75580%0.799SS**  trans-44.7134.8144.642.90000112.1
237G45.7Very low54Low72 Ų72136.9 Ų136.974%0.74280%0.796SS**  trans174.5134.316500000113.8
238P59.1Low54.3Low135 Ų135137.8 Ų137.888%0.87780%0.796SS**  trans-106.7160.4-150.338.6-30000115.8
239G43.5Very low54.6Low64 Ų64138.2 Ų138.266%0.6679%0.794SS**  trans97.6119.8144.500000117.2
240H46.8Very low55Low190 Ų190144.8 Ų144.888%0.8881%0.81SS**  -171.5136.7101.3-104.668.5000111.4
241S53.9Low55Low110 Ų110145.9 Ų145.977%0.76981%0.812SS**  trans-54133.4175.849.70000114.1
242G44.4Very low54.5Low73 Ų73148.3 Ų148.375%0.75382%0.821SS**  trans-138.981.4162.900000110.1M244G242-M244 PolarHBondContact O-N 3.41Å
243H53.2Low54Low194 Ų194149.2 Ų149.290%0.89882%0.819SS**  trans-60.1114.7165.1-103.343.6000109
244M54.9Low53.8Low181 Ų181150.8 Ų150.889%0.89282%0.824SS**  trans-106.9111.3161.6-78.2-174.177.400108.8G242G242-M244 PolarHBondContact O-N 3.41Å
245H65.6Low53.6Low179 Ų179150.8 Ų150.883%0.82983%0.825SS**PPolyproline II helixtrans-54.6138.9163-90153.6000111
246P67.8Low53.6Low114 Ų114149.6 Ų149.674%0.7483%0.827SS**PPolyproline II helixtrans-87.1116.3154.830.3-25.8000110Q248P246-Q248 PolarHBondContact O-N 3.46Å
247Q55Low54Low174 Ų174152.6 Ų152.681%0.81383%0.833SS**PPolyproline II helixtrans-68.5116158.6-87.8178.9-42.100108.3
248Q55.3Low54.6Low188 Ų188158.8 Ų158.888%0.87984%0.839SS**PPolyproline II helixtrans-76118.3159.5-67.3-178.30.700107.7P246P246-Q248 PolarHBondContact O-N 3.46Å
249H56.5Low54.3Low160 Ų160160.8 Ų160.874%0.74184%0.836SS**PPolyproline II helixtrans-89.7138.3161.6-99.4-95.1000108.6
250Y54.3Low55.2Low302 Ų302169.5 Ų169.5100%1.18485%0.852SS**  trans-22.40171.7-81.7-98000117.8

Retrieved 250 of 250 residues in 404.9 ms (Link to these results)