A0A087XGP4_POEFO Loading...

CD74 molecule, major histocompatibility complex, class II invariant chain a

AlphaFold DB (A0A3B3VB22), UniProt , Accession A0A087XGP4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 285 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
1M34.2Very low37.3Very low230 Ų230139.3 Ų139.3100%1.13381%0.806SS**  0112.60-62.668.5175.700104.7
2A36.3Very low37.2Very low93 Ų93148.9 Ų148.977%0.76982%0.819SS**  62.413572.600000110.3
3D31.8Very low36.7Very low139 Ų139143.4 Ų143.474%0.74382%0.817SS**  cis-148.4142.51.9-131.9-130.6000105.2
4N35.4Very low36.4Very low130 Ų130141.1 Ų141.170%0.69582%0.815SS**  64.4152.484.1-136.89.3000116.5
5Q35.5Very low36.1Very low129 Ų129140.5 Ų140.560%0.60381%0.814SS**  trans77.5116.5169.5-122.263.121.200121.8
6E48.8Very low36Very low155 Ų155139.1 Ų139.172%0.72481%0.814SS**  trans10.1134.5139.7-52.6175.2107.300120.2
7D33.1Very low35.9Very low169 Ų169134.9 Ų134.990%0.90481%0.808SS**  -163.9144.2123.2-110.1-33.1000112.3
8A41.5Very low35.7Very low91 Ų91134.3 Ų134.375%0.75281%0.811SS**  trans-136.9132.3170.800000109.9
9P44.8Very low36Very low112 Ų112136.8 Ų136.873%0.72781%0.813SS**  trans-143.8132141.329.8-11.3000116
10L36.8Very low36.1Very low175 Ų175138.6 Ų138.692%0.91681%0.812SS**  44.9111.9129.7-62.5164.8000120.4
11A32.4Very low36.5Very low109 Ų109137.3 Ų137.390%0.90181%0.806SS**  trans-137140.6137.400000110.3
12R36Very low36.6Very low255 Ų255134.3 Ų134.396%0.96279%0.794SS**  trans-123.7119.6-168.4178.2-174.5-170.3146.9-0.2108.8
13G31.1Very low37Very low77 Ų77135.4 Ų135.479%0.79479%0.79SS**  trans176.991-179.100000116.5
14S31.6Very low37.4Very low112 Ų112136.1 Ų136.178%0.78379%0.794SS**  trans3132.8154.4-65.90000123
15V32.9Very low37.8Very low132 Ų132137 Ų13780%0.880%0.799SS**  69.8102.5121.9-177.20000119.4
16S34.5Very low38.1Very low118 Ų118135.8 Ų135.883%0.82581%0.811SS**  64.7112.8128.2-164.60000121
17G33.9Very low37.7Very low68 Ų68131.1 Ų131.170%0.70181%0.805SS**  trans106.6100.2130.300000116.8
18S31.8Very low38.6Very low124 Ų124128.8 Ų128.887%0.86780%0.799SS**  trans-168.6147.7135.6-81.70000110.9
19H42.6Very low38.9Very low182 Ų182136.4 Ų136.484%0.84381%0.808SS**  trans-59.8150.6158.2-78.7-145000108.7
20E36.2Very low39.4Very low171 Ų171135 Ų13580%0.79981%0.814SS**  -165.9154.765.6-89.9-160110.900113.9
21V45Very low40.2Very low112 Ų112129.4 Ų129.468%0.67980%0.798SS**  trans24.9111137.8-169.20000118.5
22L36.6Very low41.5Very low168 Ų168128.5 Ų128.588%0.8879%0.785SS**  trans-149.998.6130.7-112169.9000110
23V44.7Very low42.8Very low115 Ų115121.4 Ų121.470%0.69777%0.767SS**  trans-71.9130.9168.1172.40000108.1
24N40.8Very low44.4Very low154 Ų154120.4 Ų120.482%0.82475%0.748SS**  trans-150.8136.6147-118.4-17.6000114.2
25N43.2Very low46.2Very low148 Ų148124.2 Ų124.279%0.79175%0.745SS**  trans-57.6129.7-171.7-77.2-26.3000114.6
26A41.4Very low48Very low104 Ų104121 Ų12186%0.8673%0.732SS**  trans-104.3101.2142.500000107.9
27G41.2Very low50Low58 Ų58121.6 Ų121.660%0.59873%0.725SS**PPolyproline II helixtrans-65.8146.3-174.700000113.2R29G27-R29 PolarHBondContact O-N 3.15Å
28P51Low52.4Low119 Ų119124.8 Ų124.877%0.77372%0.72SS**PPolyproline II helixtrans-69120.8-179.928-33.5000110.8G30P28-G30 PolarHBondContact O-N 2.98Å
29R48.8Very low54.9Low251 Ų251124 Ų12495%0.94771%0.705SS**PPolyproline II helixtrans-62.6119.7170-76.5179.9170.6160.7-2.5109.1G27 G31G27-R29 PolarHBondContact O-N 3.15Å; R29-G31 PolarHBondContact O-N 3.07Å
30G54.4Low57Low82 Ų82117.6 Ų117.685%0.84568%0.684SS**  trans-63.7114.8-169.800000113.8P28P28-G30 PolarHBondContact O-N 2.98Å
31G53.4Low59.6Low58 Ų58111.3 Ų111.360%0.59867%0.665SS**SBendtrans-146.786.7172.700000111.4R29 N33R29-G31 PolarHBondContact O-N 3.07Å; G31-N33 PolarHBondContact O-N 3Å
32S59.4Low61.9Low90 Ų90111.5 Ų111.563%0.62966%0.661SS**  trans25.374.2175.1-158.50000116.7S34 R35S32-S34 PolarHBondContact O-N 3.42Å; S32-R35 PolarHBondContact O-N 3.06Å; S32-R35 VanDerWaalsContact O-N 3.12Å
33N63.7Low64.5Low106 Ų106107.1 Ų107.157%0.56764%0.642SS**THydrogen-bonded Turntrans-54-17.5-178.3-62.7-29.6000114.9G31 R35 A36 L37G31-N33 PolarHBondContact O-N 3Å; N33-R35 VanDerWaalsContact C-N 3.26Å; N33-R35 PolarHBondContact O-N 2.83Å; N33-A36 PolarHBondContact O-N 3.35Å; N33-L37 PolarHBondContact O-N 3.17Å; N33-L37 VanDerWaalsContact O-N 3.16Å
34S64.7Low66.8Low57 Ų57105.6 Ų105.640%0.39963%0.633SS.*Hα-helixtrans-56.8-36.2174.7-173.30000112.9S32 K38S32-S34 PolarHBondContact O-N 3.42Å; S34-K38 WeakPolarHBondContact O-CB 3.49Å; S34-K38 WeakPolarHBondContact O-CD 3.32Å; S34-K38 VanDerWaalsContact O-CG 3.23Å; S34-K38 WeakPolarHBondContact O-CG 3.1Å; S34-K38 PolarHBondContact O-N 3.41Å; S34-K38 VanDerWaalsContact O-N 3.09Å; S34-K38 WeakPolarHBondContact OG-CE 3.31Å; S34-K38 PolarHBondContact OG-NZ 3.03Å
35R69.8Low69.4Low192 Ų192103 Ų10373%0.72562%0.618SS**Hα-helixtrans-71.5-43.2-179.1-67.3-171.6179-1371.1111.9S32 N33 K38 I39S32-R35 PolarHBondContact O-N 3.06Å; S32-R35 VanDerWaalsContact O-N 3.12Å; N33-R35 VanDerWaalsContact C-N 3.26Å; N33-R35 PolarHBondContact O-N 2.83Å; R35-K38 PolarHBondContact O-N 3.01Å; R35-I39 WeakPolarHBondContact O-CD1 3.42Å; R35-I39 VanDerWaalsContact O-CG1 3.26Å; R35-I39 WeakPolarHBondContact O-CG1 3.41Å; R35-I39 PolarHBondContact O-N 3.39Å
36A71.2Confident71.8Confident65 Ų6598.1 Ų98.154%0.53760%0.599SS.*Hα-helixtrans-62.8-45.2177.600000112.1N33 K38 I39 A40N33-A36 PolarHBondContact O-N 3.35Å; A36-K38 PolarHBondContact O-N 3.1Å; A36-I39 PolarHBondContact O-N 2.95Å; A36-A40 WeakPolarHBondContact O-CB 3.23Å; A36-A40 PolarHBondContact O-N 3.04Å
37L76.6Confident74.4Confident129 Ų12997.1 Ų97.168%0.67559%0.585SS**Hα-helixtrans-62.3-40.7175.7-83.6157.6000112.7N33 A40 G41N33-L37 PolarHBondContact O-N 3.17Å; N33-L37 VanDerWaalsContact O-N 3.16Å; L37-A40 PolarHBondContact O-N 2.66Å; L37-G41 PolarHBondContact O-N 3.29Å
38K83.6Confident77Confident135 Ų135100 Ų10059%0.58759%0.585SS**Hα-helixtrans-63.8-41.8174.7-76.9168.1177.6168.20112.3S34 R35 A36 G41 L42S34-K38 WeakPolarHBondContact O-CB 3.49Å; S34-K38 WeakPolarHBondContact O-CD 3.32Å; S34-K38 VanDerWaalsContact O-CG 3.23Å; S34-K38 WeakPolarHBondContact O-CG 3.1Å; S34-K38 PolarHBondContact O-N 3.41Å; S34-K38 VanDerWaalsContact O-N 3.09Å; S34-K38 WeakPolarHBondContact OG-CE 3.31Å; S34-K38 PolarHBondContact OG-NZ 3.03Å; R35-K38 PolarHBondContact O-N 3.01Å; A36-K38 PolarHBondContact O-N 3.1Å; K38-G41 PolarHBondContact O-N 2.72Å; K38-L42 WeakPolarHBondContact O-CB 3.47Å; K38-L42 VanDerWaalsContact O-CG 3.3Å; K38-L42 WeakPolarHBondContact O-CG 3.28Å; K38-L42 PolarHBondContact O-N 2.68Å
39I83.9Confident79.1Confident107 Ų10799 Ų9955%0.54957%0.573SS.*Hα-helixtrans-65.2-47.4177.4-67.3162000110.2R35 A36 G41 L42 T43R35-I39 WeakPolarHBondContact O-CD1 3.42Å; R35-I39 VanDerWaalsContact O-CG1 3.26Å; R35-I39 WeakPolarHBondContact O-CG1 3.41Å; R35-I39 PolarHBondContact O-N 3.39Å; A36-I39 PolarHBondContact O-N 2.95Å; I39-G41 VanDerWaalsContact C-N 3.32Å; I39-G41 PolarHBondContact O-N 3.02Å; I39-L42 PolarHBondContact O-N 2.62Å; I39-L42 VanDerWaalsContact O-N 3.17Å; I39-T43 HydrophobicContact CG2-CG2 4.45Å; I39-T43 WeakPolarHBondContact O-CG2 3.44Å; I39-T43 PolarHBondContact O-N 2.84Å; I39-T43 PolarHBondContact O-OG1 3.08Å
40A86.8Confident81.4Confident49 Ų4992.2 Ų92.241%0.40556%0.555SS.*Hα-helixtrans-61.4-37.5177.100000113A36 L37 T43 T44A36-A40 WeakPolarHBondContact O-CB 3.23Å; A36-A40 PolarHBondContact O-N 3.04Å; L37-A40 PolarHBondContact O-N 2.66Å; A40-T43 WeakPolarHBondContact CA-OG1 3.25Å; A40-T43 PolarHBondContact O-OG1 3.23Å; A40-T44 WeakPolarHBondContact O-CB 3.37Å; A40-T44 WeakPolarHBondContact O-CG2 3.35Å; A40-T44 PolarHBondContact O-N 3.16Å; A40-T44 PolarHBondContact O-OG1 2.96Å
41G91.4Very high83.3Confident38 Ų3891.1 Ų91.139%0.39254%0.538SS..Hα-helixtrans-65.4-41.717300000113L37 K38 I39 T44 L45L37-G41 PolarHBondContact O-N 3.29Å; K38-G41 PolarHBondContact O-N 2.72Å; I39-G41 VanDerWaalsContact C-N 3.32Å; I39-G41 PolarHBondContact O-N 3.02Å; G41-T44 WeakPolarHBondContact CA-OG1 3.22Å; G41-T44 PolarHBondContact O-OG1 3.42Å; G41-L45 WeakPolarHBondContact O-CB 3.32Å; G41-L45 PolarHBondContact O-N 2.84Å
42L92.3Very high85.3Confident117 Ų11791.6 Ų91.661%0.61353%0.532SS*.Hα-helixtrans-70-37.9177.3-71.7169.7000112.5K38 I39 A46K38-L42 WeakPolarHBondContact O-CB 3.47Å; K38-L42 VanDerWaalsContact O-CG 3.3Å; K38-L42 WeakPolarHBondContact O-CG 3.28Å; K38-L42 PolarHBondContact O-N 2.68Å; I39-L42 PolarHBondContact O-N 2.62Å; I39-L42 VanDerWaalsContact O-N 3.17Å; L42-A46 WeakPolarHBondContact O-CB 3.34Å; L42-A46 PolarHBondContact O-N 3.42Å
43T92.8Very high86.9Confident76 Ų7693.7 Ų93.747%0.46653%0.532SS..Hα-helixtrans-68.4-41.1176.5530000111.9I39 A40 A46 C47I39-T43 HydrophobicContact CG2-CG2 4.45Å; I39-T43 WeakPolarHBondContact O-CG2 3.44Å; I39-T43 PolarHBondContact O-N 2.84Å; I39-T43 PolarHBondContact O-OG1 3.08Å; A40-T43 WeakPolarHBondContact CA-OG1 3.25Å; A40-T43 PolarHBondContact O-OG1 3.23Å; T43-A46 PolarHBondContact O-N 2.88Å; T43-C47 PolarHBondContact O-N 3.44Å; T43-C47 PolarHBondContact O-SG 2.92Å
44T93.3Very high88.4Confident83 Ų8393.7 Ų93.751%0.50954%0.536SS..Hα-helixtrans-66.2-41176.2470000111.7A40 G41 A46 C47 L48A40-T44 WeakPolarHBondContact O-CB 3.37Å; A40-T44 WeakPolarHBondContact O-CG2 3.35Å; A40-T44 PolarHBondContact O-N 3.16Å; A40-T44 PolarHBondContact O-OG1 2.96Å; G41-T44 WeakPolarHBondContact CA-OG1 3.22Å; G41-T44 PolarHBondContact O-OG1 3.42Å; T44-A46 PolarHBondContact O-N 3.04Å; T44-C47 PolarHBondContact O-N 3.43Å; T44-L48 WeakPolarHBondContact O-CG 3.38Å; T44-L48 PolarHBondContact O-N 2.88Å
45L93.9Very high89.8Confident98 Ų9896.9 Ų96.951%0.51354%0.542SS..Hα-helixtrans-58.4-47171.9-168.588.1000111.8G41 C47 L48 L49G41-L45 WeakPolarHBondContact O-CB 3.32Å; G41-L45 PolarHBondContact O-N 2.84Å; L45-C47 PolarHBondContact O-N 3.21Å; L45-L48 PolarHBondContact O-N 2.99Å; L45-L49 HydrophobicContact CD2-CD1 4.41Å; L45-L49 HydrophobicContact CG-CD1 4.29Å; L45-L49 WeakPolarHBondContact O-CG 3.49Å; L45-L49 PolarHBondContact O-N 3.11Å
46A94.8Very high90.8Very high47 Ų4791.8 Ų91.839%0.38853%0.533SS..Hα-helixtrans-61.8-42.6178.600000112.1L42 T43 T44 L49 L50L42-A46 WeakPolarHBondContact O-CB 3.34Å; L42-A46 PolarHBondContact O-N 3.42Å; T43-A46 PolarHBondContact O-N 2.88Å; T44-A46 PolarHBondContact O-N 3.04Å; A46-L49 PolarHBondContact O-N 3.09Å; A46-L50 WeakPolarHBondContact O-CG 3.39Å; A46-L50 PolarHBondContact O-N 3.29Å
47C95.1Very high91.8Very high83 Ų8391.7 Ų91.756%0.56153%0.532SS*.Hα-helixtrans-61.7-42.7174.7-70.10000112.4T43 T44 L45 L50 A51T43-C47 PolarHBondContact O-N 3.44Å; T43-C47 PolarHBondContact O-SG 2.92Å; T44-C47 PolarHBondContact O-N 3.43Å; L45-C47 PolarHBondContact O-N 3.21Å; C47-L50 PolarHBondContact O-N 2.97Å; C47-A51 WeakPolarHBondContact O-CB 3.49Å; C47-A51 PolarHBondContact O-N 2.84Å
48L96.1Very high92.4Very high117 Ų11792.7 Ų92.761%0.61353%0.528SS*.Hα-helixtrans-65.1-38.7177.2-71.1172.2000112.3T44 L45 S52T44-L48 WeakPolarHBondContact O-CG 3.38Å; T44-L48 PolarHBondContact O-N 2.88Å; L45-L48 PolarHBondContact O-N 2.99Å; L48-S52 WeakPolarHBondContact O-CB 3.38Å; L48-S52 PolarHBondContact O-N 3.22Å; L48-S52 PolarHBondContact O-OG 2.95Å
49L95.6Very high92.4Very high99 Ų9990.3 Ų90.352%0.51852%0.52SS..Hα-helixtrans-65.7-44.9175.5-70.9170.8000111.9L45 A46 S52 Q53L45-L49 HydrophobicContact CD2-CD1 4.41Å; L45-L49 HydrophobicContact CG-CD1 4.29Å; L45-L49 WeakPolarHBondContact O-CG 3.49Å; L45-L49 PolarHBondContact O-N 3.11Å; A46-L49 PolarHBondContact O-N 3.09Å; L49-S52 PolarHBondContact O-N 3.34Å; L49-Q53 WeakPolarHBondContact O-CG 3.43Å; L49-Q53 PolarHBondContact O-N 3.36Å
50L96.1Very high92.3Very high109 Ų10989.5 Ų89.557%0.57152%0.52SS*.Hα-helixtrans-63.2-44.9176.2-70.2171.7000111.8A46 C47 S52 Q53 V54A46-L50 WeakPolarHBondContact O-CG 3.39Å; A46-L50 PolarHBondContact O-N 3.29Å; C47-L50 PolarHBondContact O-N 2.97Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-S52 PolarHBondContact O-N 3.18Å; L50-Q53 PolarHBondContact O-N 3.26Å; L50-V54 WeakPolarHBondContact O-CG2 3.43Å; L50-V54 PolarHBondContact O-N 3.39Å
51A94.8Very high91.9Very high59 Ų5993.3 Ų93.349%0.48853%0.528SS..Hα-helixtrans-60.6-41175.900000112C47 Q53 V54 F55C47-A51 WeakPolarHBondContact O-CB 3.49Å; C47-A51 PolarHBondContact O-N 2.84Å; A51-Q53 PolarHBondContact O-N 3.34Å; A51-V54 PolarHBondContact O-N 3.22Å; A51-F55 WeakPolarHBondContact O-CB 3.37Å; A51-F55 PolarHBondContact O-N 3.48Å
52S94.6Very high90.9Very high68 Ų6895 Ų9548%0.47653%0.527SS..Hα-helixtrans-64.6-38.7177.3-58.40000112.6L48 L49 L50 T56L48-S52 WeakPolarHBondContact O-CB 3.38Å; L48-S52 PolarHBondContact O-N 3.22Å; L48-S52 PolarHBondContact O-OG 2.95Å; L49-S52 PolarHBondContact O-N 3.34Å; L50-S52 VanDerWaalsContact C-N 3.32Å; L50-S52 PolarHBondContact O-N 3.18Å; S52-T56 WeakPolarHBondContact O-CB 3.35Å; S52-T56 PolarHBondContact O-N 3.22Å; S52-T56 PolarHBondContact O-OG1 3.26Å
53Q93.2Very high89.4Confident134 Ų13495.2 Ų95.263%0.62653%0.525SS*.Hα-helixtrans-67.8-43.6175.5-72.5-178.5400111.9L49 L50 A51 T56 A57L49-Q53 WeakPolarHBondContact O-CG 3.43Å; L49-Q53 PolarHBondContact O-N 3.36Å; L50-Q53 PolarHBondContact O-N 3.26Å; A51-Q53 PolarHBondContact O-N 3.34Å; Q53-T56 PolarHBondContact O-N 3.42Å; Q53-A57 WeakPolarHBondContact O-CB 3.41Å; Q53-A57 PolarHBondContact O-N 3.36Å
54V95.9Very high88Confident105 Ų10597.3 Ų97.364%0.63653%0.528SS*.Hα-helixtrans-62.3-43.2175.6172.70000111.1L50 A51 A57 Y58L50-V54 WeakPolarHBondContact O-CG2 3.43Å; L50-V54 PolarHBondContact O-N 3.39Å; A51-V54 PolarHBondContact O-N 3.22Å; V54-A57 PolarHBondContact O-N 3.15Å; V54-Y58 WeakPolarHBondContact O-CB 3.45Å; V54-Y58 PolarHBondContact O-N 3.44Å
55F94.4Very high86.5Confident124 Ų12498.8 Ų98.854%0.54453%0.529SS..Hα-helixtrans-61.6-44.8175-178.1-100.7000112A51 A57 Y58 M59A51-F55 WeakPolarHBondContact O-CB 3.37Å; A51-F55 PolarHBondContact O-N 3.48Å; F55-A57 PolarHBondContact O-N 3.17Å; F55-Y58 WeakPolarHBondContact O-CB 3.2Å; F55-Y58 PolarHBondContact O-N 3.31Å; F55-M59 HydrophobicContact CD1-CG 4.14Å; F55-M59 HydrophobicContact CE1-CG 3.74Å; F55-M59 HydrophobicContact CE1-SD 4.39Å; F55-M59 HydrophobicContact CE2-CG 4.14Å; F55-M59 HydrophobicContact CE2-SD 4.18Å; F55-M59 HydrophobicContact CZ-CE 4.39Å; F55-M59 HydrophobicContact CZ-CG 3.74Å; F55-M59 HydrophobicContact CZ-SD 3.83Å; F55-M59 VanDerWaalsContact O-CG 3.28Å; F55-M59 WeakPolarHBondContact O-CG 3.27Å; F55-M59 PolarHBondContact O-N 3.48Å
56T91.1Very high84.8Confident85 Ų85100 Ų10052%0.52153%0.532SS..Hα-helixtrans-61.6-44.3176.7-54.80000111.4S52 Q53 Y58 M59 V60S52-T56 WeakPolarHBondContact O-CB 3.35Å; S52-T56 PolarHBondContact O-N 3.22Å; S52-T56 PolarHBondContact O-OG1 3.26Å; Q53-T56 PolarHBondContact O-N 3.42Å; T56-Y58 PolarHBondContact O-N 2.96Å; T56-M59 PolarHBondContact O-N 3.19Å; T56-V60 WeakPolarHBondContact O-CG2 3.43Å; T56-V60 PolarHBondContact O-N 2.99Å
57A91.3Very high83.2Confident63 Ų63103 Ų10352%0.52154%0.541SS..Hα-helixtrans-63.7-39.2176.500000112.5Q53 V54 F55 F61Q53-A57 WeakPolarHBondContact O-CB 3.41Å; Q53-A57 PolarHBondContact O-N 3.36Å; V54-A57 PolarHBondContact O-N 3.15Å; F55-A57 PolarHBondContact O-N 3.17Å; A57-F61 WeakPolarHBondContact O-CB 3.47Å; A57-F61 PolarHBondContact O-N 2.94Å
58Y89.4Confident81.4Confident150 Ų150104.9 Ų104.959%0.58854%0.541SS*.Hα-helixtrans-62.4-49.6174.7179.4-97.2000111.8V54 F55 T56 V60 F61 D62V54-Y58 WeakPolarHBondContact O-CB 3.45Å; V54-Y58 PolarHBondContact O-N 3.44Å; F55-Y58 WeakPolarHBondContact O-CB 3.2Å; F55-Y58 PolarHBondContact O-N 3.31Å; T56-Y58 PolarHBondContact O-N 2.96Å; Y58-V60 VanDerWaalsContact C-N 3.34Å; Y58-V60 PolarHBondContact O-N 3.19Å; Y58-F61 PolarHBondContact O-N 3.1Å; Y58-F61 VanDerWaalsContact O-N 3.12Å; Y58-D62 PolarHBondContact O-N 3.26Å
59M84.7Confident79.9Confident85 Ų85103.9 Ų103.942%0.41954%0.54SS..Hα-helixtrans-61.4-39.6178.7-67.2-67.7-76.100112.3F55 T56 D62 Q63F55-M59 HydrophobicContact CD1-CG 4.14Å; F55-M59 HydrophobicContact CE1-CG 3.74Å; F55-M59 HydrophobicContact CE1-SD 4.39Å; F55-M59 HydrophobicContact CE2-CG 4.14Å; F55-M59 HydrophobicContact CE2-SD 4.18Å; F55-M59 HydrophobicContact CZ-CE 4.39Å; F55-M59 HydrophobicContact CZ-CG 3.74Å; F55-M59 HydrophobicContact CZ-SD 3.83Å; F55-M59 VanDerWaalsContact O-CG 3.28Å; F55-M59 WeakPolarHBondContact O-CG 3.27Å; F55-M59 PolarHBondContact O-N 3.48Å; T56-M59 PolarHBondContact O-N 3.19Å; M59-D62 PolarHBondContact O-N 3Å; M59-Q63 WeakPolarHBondContact O-CG 3.4Å; M59-Q63 PolarHBondContact O-N 3.41Å
60V81.2Confident78.1Confident91 Ų91105.1 Ų105.155%0.55255%0.546SS*.Hα-helixtrans-67.4-35.8174.9170.50000111.9T56 Y58 K64T56-V60 WeakPolarHBondContact O-CG2 3.43Å; T56-V60 PolarHBondContact O-N 2.99Å; Y58-V60 VanDerWaalsContact C-N 3.34Å; Y58-V60 PolarHBondContact O-N 3.19Å; V60-K64 PolarHBondContact O-N 3.45Å
61F76.9Confident76.7Confident129 Ų129106.1 Ų106.157%0.56655%0.546SS*.Hα-helixtrans-71.7-36.5176.1-168.3-92.9000112.5A57 Y58 K64 Q65A57-F61 WeakPolarHBondContact O-CB 3.47Å; A57-F61 PolarHBondContact O-N 2.94Å; Y58-F61 PolarHBondContact O-N 3.1Å; Y58-F61 VanDerWaalsContact O-N 3.12Å; F61-K64 VanDerWaalsContact O-CB 3.27Å; F61-K64 WeakPolarHBondContact O-CB 3.29Å; F61-K64 PolarHBondContact O-N 2.87Å; F61-Q65 PolarHBondContact O-N 3.25Å
62D72.3Confident75.5Confident72 Ų72109.2 Ų109.239%0.38555%0.548SS..Hα-helixtrans-66.8-44.2175.6-16970.8000111.9Y58 M59 K64 Q65Y58-D62 PolarHBondContact O-N 3.26Å; M59-D62 PolarHBondContact O-N 3Å; D62-K64 PolarHBondContact O-N 2.86Å; D62-K64 VanDerWaalsContact O-N 3.13Å; D62-Q65 WeakPolarHBondContact O-CB 3.25Å; D62-Q65 PolarHBondContact O-N 3.08Å
63Q59.4Low74.6Confident123 Ų123109.1 Ų109.158%0.57555%0.548SS*.Hα-helixtrans-55.7-33.2172.2-75.3-175-1.400112.7M59 Q65 Q66 I67M59-Q63 WeakPolarHBondContact O-CG 3.4Å; M59-Q63 PolarHBondContact O-N 3.41Å; Q63-Q65 VanDerWaalsContact C-N 3.34Å; Q63-Q65 PolarHBondContact O-N 3.42Å; Q63-Q66 PolarHBondContact O-N 2.94Å; Q63-I67 WeakPolarHBondContact O-CG1 3.42Å; Q63-I67 PolarHBondContact O-N 2.78Å
64K64.4Low73.5Confident120 Ų120106.4 Ų106.452%0.52254%0.543SS..Hα-helixtrans-64.2-34.9176.8-163.5178.2178.7-179.80112.6V60 F61 D62 H68V60-K64 PolarHBondContact O-N 3.45Å; F61-K64 VanDerWaalsContact O-CB 3.27Å; F61-K64 WeakPolarHBondContact O-CB 3.29Å; F61-K64 PolarHBondContact O-N 2.87Å; D62-K64 PolarHBondContact O-N 2.86Å; D62-K64 VanDerWaalsContact O-N 3.13Å; K64-H68 PolarHBondContact O-CD2 3.39Å; K64-H68 VanDerWaalsContact O-CD2 3.25Å; K64-H68 PolarHBondContact O-N 2.98Å
65Q60.5Low72.3Confident114 Ų114105.7 Ų105.753%0.53353%0.533SS..Hα-helixtrans-63.1-43.5175.9-70.2-83.5-7.700111.6F61 D62 Q63 H68 T69F61-Q65 PolarHBondContact O-N 3.25Å; D62-Q65 WeakPolarHBondContact O-CB 3.25Å; D62-Q65 PolarHBondContact O-N 3.08Å; Q63-Q65 VanDerWaalsContact C-N 3.34Å; Q63-Q65 PolarHBondContact O-N 3.42Å; Q65-H68 PolarHBondContact O-N 2.79Å; Q65-T69 PolarHBondContact O-N 3.13Å; Q65-T69 PolarHBondContact O-OG1 3.28Å
66Q59.1Low71Confident124 Ų124107.7 Ų107.758%0.57954%0.537SS*.Hα-helixtrans-67.5-39.9-179.2-61.4-164.18.500112.4Q63 H68 T69 L70Q63-Q66 PolarHBondContact O-N 2.94Å; Q66-H68 VanDerWaalsContact C-N 3.31Å; Q66-H68 PolarHBondContact O-N 2.85Å; Q66-T69 WeakPolarHBondContact O-CB 3.49Å; Q66-T69 PolarHBondContact O-N 3.43Å; Q66-L70 PolarHBondContact O-N 3.37Å
67I60.9Low69.7Low110 Ų110109.7 Ų109.756%0.56454%0.542SS*.Hα-helixtrans-60-40.5176.7-66.6165.1000111.3Q63 T69 K71Q63-I67 WeakPolarHBondContact O-CG1 3.42Å; Q63-I67 PolarHBondContact O-N 2.78Å; I67-T69 VanDerWaalsContact C-N 3.3Å; I67-T69 PolarHBondContact O-N 3.03Å; I67-K71 VanDerWaalsContact O-CB 3.27Å; I67-K71 WeakPolarHBondContact O-CB 3.32Å; I67-K71 PolarHBondContact O-N 3.17Å
68H58.4Low68.3Low122 Ų122109.9 Ų109.957%0.56554%0.54SS*.Hα-helixtrans-63.4-35.1174.4-83.9-72.6000112.8K64 Q65 Q66 K72K64-H68 PolarHBondContact O-CD2 3.39Å; K64-H68 VanDerWaalsContact O-CD2 3.25Å; K64-H68 PolarHBondContact O-N 2.98Å; Q65-H68 PolarHBondContact O-N 2.79Å; Q66-H68 VanDerWaalsContact C-N 3.31Å; Q66-H68 PolarHBondContact O-N 2.85Å; H68-K72 WeakPolarHBondContact O-CB 3.41Å; H68-K72 PolarHBondContact O-N 3Å
69T63Low67.2Low95 Ų95109 Ų10958%0.58354%0.539SS*.Hα-helixtrans-71.2-45.1179.3-56.20000111.7Q65 Q66 I67 K72 S73Q65-T69 PolarHBondContact O-N 3.13Å; Q65-T69 PolarHBondContact O-OG1 3.28Å; Q66-T69 WeakPolarHBondContact O-CB 3.49Å; Q66-T69 PolarHBondContact O-N 3.43Å; I67-T69 VanDerWaalsContact C-N 3.3Å; I67-T69 PolarHBondContact O-N 3.03Å; T69-K72 PolarHBondContact O-N 2.97Å; T69-S73 PolarHBondContact O-N 3.37Å
70L57.9Low65.9Low125 Ų125112 Ų11265%0.65455%0.552SS**Hα-helixtrans-63.5-43.9175.2-69.5170.4000111.9Q66 K72 S73 S74Q66-L70 PolarHBondContact O-N 3.37Å; L70-K72 PolarHBondContact O-N 2.91Å; L70-S73 PolarHBondContact O-N 3.43Å; L70-S74 PolarHBondContact O-N 2.78Å
71K67.6Low64.8Low130 Ų130112.1 Ų112.157%0.56555%0.553SS**Hα-helixtrans-61.7-43.6175.9-172.6170.2-178.51740112.2I67 S73 S74 E75I67-K71 VanDerWaalsContact O-CB 3.27Å; I67-K71 WeakPolarHBondContact O-CB 3.32Å; I67-K71 PolarHBondContact O-N 3.17Å; K71-S73 VanDerWaalsContact C-N 3.32Å; K71-S73 PolarHBondContact O-N 3.25Å; K71-S74 PolarHBondContact O-N 2.88Å; K71-E75 VanDerWaalsContact CE-OE1 3.29Å; K71-E75 WeakPolarHBondContact CE-OE1 3.38Å; K71-E75 WeakPolarHBondContact O-CG 3.36Å; K71-E75 PolarHBondContact O-N 3.3Å
72K69.8Low63.9Low124 Ų124109.2 Ų109.254%0.53955%0.545SS..Hα-helixtrans-65.5-32176.7-172.1174.9-174.4176.10112.9H68 T69 L70 R76H68-K72 WeakPolarHBondContact O-CB 3.41Å; H68-K72 PolarHBondContact O-N 3Å; T69-K72 PolarHBondContact O-N 2.97Å; L70-K72 PolarHBondContact O-N 2.91Å; K72-R76 WeakPolarHBondContact O-CD 3.26Å; K72-R76 VanDerWaalsContact O-CG 3.29Å; K72-R76 WeakPolarHBondContact O-CG 3.48Å; K72-R76 PolarHBondContact O-N 2.81Å
73S74.3Confident63Low66 Ų66115.2 Ų115.246%0.46256%0.563SS.*Hα-helixtrans-69.4-48.1172.5-165.50000111.5T69 L70 K71 E75 R76 M77T69-S73 PolarHBondContact O-N 3.37Å; L70-S73 PolarHBondContact O-N 3.43Å; K71-S73 VanDerWaalsContact C-N 3.32Å; K71-S73 PolarHBondContact O-N 3.25Å; S73-E75 PolarHBondContact O-N 3.48Å; S73-R76 WeakPolarHBondContact O-CB 3.33Å; S73-R76 PolarHBondContact O-N 3.38Å; S73-R76 VanDerWaalsContact O-N 3.17Å; S73-M77 PolarHBondContact O-N 3.26Å
74S70.3Confident62.7Low77 Ų77115 Ų11554%0.53857%0.57SS.*Hα-helixtrans-59.2-44.8176.4-1790000112.6L70 K71 R76 M77 S78L70-S74 PolarHBondContact O-N 2.78Å; K71-S74 PolarHBondContact O-N 2.88Å; S74-R76 VanDerWaalsContact C-N 3.3Å; S74-R76 PolarHBondContact O-N 3.4Å; S74-M77 PolarHBondContact O-N 3.29Å; S74-S78 WeakPolarHBondContact O-CB 3.39Å; S74-S78 PolarHBondContact O-N 3.49Å
75E71.7Confident62Low91 Ų91113.7 Ų113.743%0.42558%0.576SS.*Hα-helixtrans-64.3-31.7176.8-75177.3-163.400113.2K71 S73 K79K71-E75 VanDerWaalsContact CE-OE1 3.29Å; K71-E75 WeakPolarHBondContact CE-OE1 3.38Å; K71-E75 WeakPolarHBondContact O-CG 3.36Å; K71-E75 PolarHBondContact O-N 3.3Å; S73-E75 PolarHBondContact O-N 3.48Å; E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 WeakPolarHBondContact O-CD 3.5Å; E75-K79 VanDerWaalsContact O-CG 3.25Å; E75-K79 WeakPolarHBondContact O-CG 3.47Å; E75-K79 PolarHBondContact O-N 3.35Å
76R66.2Low61.3Low165 Ų165115.8 Ų115.862%0.62359%0.585SS**Hα-helixtrans-71-44.6173.6-78170.3169.6176.2-7.7111.5K72 S73 S74 K79 Q80K72-R76 WeakPolarHBondContact O-CD 3.26Å; K72-R76 VanDerWaalsContact O-CG 3.29Å; K72-R76 WeakPolarHBondContact O-CG 3.48Å; K72-R76 PolarHBondContact O-N 2.81Å; S73-R76 WeakPolarHBondContact O-CB 3.33Å; S73-R76 PolarHBondContact O-N 3.38Å; S73-R76 VanDerWaalsContact O-N 3.17Å; S74-R76 VanDerWaalsContact C-N 3.3Å; S74-R76 PolarHBondContact O-N 3.4Å; R76-K79 PolarHBondContact O-N 3.2Å; R76-Q80 PolarHBondContact O-N 2.8Å; R76-Q80 VanDerWaalsContact O-N 3.15Å
77M63.9Low60.7Low128 Ų128112.4 Ų112.463%0.63158%0.584SS**Hα-helixtrans-63.8-43.4177.7-167.2175.8-69.600111.6S73 S74 K79 Q80 V81S73-M77 PolarHBondContact O-N 3.26Å; S74-M77 PolarHBondContact O-N 3.29Å; M77-K79 PolarHBondContact O-N 3.26Å; M77-Q80 WeakPolarHBondContact O-CB 3.42Å; M77-Q80 PolarHBondContact O-N 2.82Å; M77-Q80 VanDerWaalsContact O-N 3.1Å; M77-V81 PolarHBondContact O-N 2.92Å; M77-V81 VanDerWaalsContact O-N 3.09Å
78S63.3Low60.2Low67 Ų67111.1 Ų111.147%0.46960%0.598SS.*Hα-helixtrans-57.7-48173.9176.60000112S74 Q80 V81 T82S74-S78 WeakPolarHBondContact O-CB 3.39Å; S74-S78 PolarHBondContact O-N 3.49Å; S78-Q80 PolarHBondContact O-N 3.49Å; S78-V81 PolarHBondContact O-N 3.19Å; S78-V81 VanDerWaalsContact O-N 3.11Å; S78-T82 PolarHBondContact O-N 2.83Å; S78-T82 PolarHBondContact O-OG1 2.79Å
79K64.4Low59.8Low132 Ų132111.7 Ų111.757%0.57461%0.609SS**Hα-helixtrans-61.4-25.1176.1-74.9168.3-177.6169.70113.7E75 R76 M77 R83E75-K79 WeakPolarHBondContact O-CB 3.4Å; E75-K79 WeakPolarHBondContact O-CD 3.5Å; E75-K79 VanDerWaalsContact O-CG 3.25Å; E75-K79 WeakPolarHBondContact O-CG 3.47Å; E75-K79 PolarHBondContact O-N 3.35Å; R76-K79 PolarHBondContact O-N 3.2Å; M77-K79 PolarHBondContact O-N 3.26Å; K79-R83 WeakPolarHBondContact O-CG 3.44Å; K79-R83 PolarHBondContact O-N 3.4Å
80Q59.1Low58.9Low146 Ų146111.3 Ų111.368%0.68262%0.616SS**Hα-helixtrans-77-41.1175.2-162163.4-25.500111.2R76 M77 S78 R83 V84R76-Q80 PolarHBondContact O-N 2.8Å; R76-Q80 VanDerWaalsContact O-N 3.15Å; M77-Q80 WeakPolarHBondContact O-CB 3.42Å; M77-Q80 PolarHBondContact O-N 2.82Å; M77-Q80 VanDerWaalsContact O-N 3.1Å; S78-Q80 PolarHBondContact O-N 3.49Å; Q80-R83 PolarHBondContact O-N 3.29Å; Q80-V84 PolarHBondContact O-N 3.4Å
81V57.7Low58.2Low95 Ų95111.3 Ų111.358%0.57662%0.623SS**Hα-helixtrans-62.6-44.7172.2178.70000111.2M77 S78 R83 V84 S85M77-V81 PolarHBondContact O-N 2.92Å; M77-V81 VanDerWaalsContact O-N 3.09Å; S78-V81 PolarHBondContact O-N 3.19Å; S78-V81 VanDerWaalsContact O-N 3.11Å; V81-R83 VanDerWaalsContact C-N 3.3Å; V81-R83 PolarHBondContact O-N 2.87Å; V81-V84 PolarHBondContact O-N 3.05Å; V81-S85 PolarHBondContact O-N 3.1Å; V81-S85 PolarHBondContact O-OG 3.37Å
82T57.9Low57.2Low67 Ų67109.4 Ų109.441%0.41163%0.632SS.*Hα-helixtrans-65.1-30.9178.7-40.90000113.1S78 S85 Q86S78-T82 PolarHBondContact O-N 2.83Å; S78-T82 PolarHBondContact O-OG1 2.79Å; T82-S85 WeakPolarHBondContact O-CB 3.48Å; T82-S85 PolarHBondContact O-N 3.45Å; T82-Q86 PolarHBondContact O-N 3.29Å
83R52.8Low56.3Low199 Ų199115.3 Ų115.375%0.75165%0.651SS**Hα-helixtrans-70.4-33.5175.5-83.2178173.2170.3-3.1113K79 Q80 V81 S85 Q86K79-R83 WeakPolarHBondContact O-CG 3.44Å; K79-R83 PolarHBondContact O-N 3.4Å; Q80-R83 PolarHBondContact O-N 3.29Å; V81-R83 VanDerWaalsContact C-N 3.3Å; V81-R83 PolarHBondContact O-N 2.87Å; R83-S85 PolarHBondContact O-N 2.86Å; R83-Q86 PolarHBondContact O-N 3.48Å
84V53Low54.9Low119 Ų119120.7 Ų120.772%0.72167%0.671SS**Hα-helixtrans-63.7-30.5170.9175.10000110.8Q80 V81Q80-V84 PolarHBondContact O-N 3.4Å; V81-V84 PolarHBondContact O-N 3.05Å
85S50.8Low53.8Low92 Ų92121.5 Ų121.564%0.64368%0.682SS**THydrogen-bonded Turntrans-77.9-11176.9-41.70000115.5V81 T82 R83V81-S85 PolarHBondContact O-N 3.1Å; V81-S85 PolarHBondContact O-OG 3.37Å; T82-S85 WeakPolarHBondContact O-CB 3.48Å; T82-S85 PolarHBondContact O-N 3.45Å; R83-S85 PolarHBondContact O-N 2.86Å
86Q45.3Very low52.4Low157 Ų157125.1 Ų125.173%0.73470%0.701SS**THydrogen-bonded Turntrans-109.1-2.8-174.4-73.8-174.3-28.400114.4T82 R83T82-Q86 PolarHBondContact O-N 3.29Å; R83-Q86 PolarHBondContact O-N 3.48Å
87G47.1Very low51.2Low53 Ų53122.3 Ų122.355%0.54670%0.704SS.*SBendtrans-82.910716200000109.5V89G87-V89 PolarHBondContact O-N 3.11Å
88G50.3Low50.4Low84 Ų84125.2 Ų125.287%0.86672%0.718SS**  trans-67.188.5-171.900000114.8
89V48.5Very low49.5Very low133 Ų133129.1 Ų129.181%0.80673%0.734SS**  trans-133.5124.2159-176.20000107.3G87G87-V89 PolarHBondContact O-N 3.11Å
90A44.6Very low48.5Very low87 Ų87128.2 Ų128.272%0.71974%0.744SS**  trans-63.7140.3178.900000110.5A92A90-A92 PolarHBondContact O-N 3.24Å; A90-A92 VanDerWaalsContact O-N 3.08Å
91P42.8Very low47.8Very low125 Ų125129.3 Ų129.381%0.81275%0.754SS**  trans-66.7114.3176.427.5-32.9000109.1R93P91-R93 PolarHBondContact O-N 3.19Å
92A47.6Very low47Very low90 Ų90130.4 Ų130.474%0.74476%0.763SS**  trans-58132.9169.300000109A90 M94A90-A92 PolarHBondContact O-N 3.24Å; A90-A92 VanDerWaalsContact O-N 3.08Å; A92-M94 PolarHBondContact O-N 2.91Å
93R50Low46Very low249 Ų249134.9 Ų134.994%0.9478%0.784SS**  trans-64108.9173.6-77.4-175.7161.9139.6-2.2108.8P91 A95P91-R93 PolarHBondContact O-N 3.19Å; R93-A95 PolarHBondContact O-N 3.25Å
94M46.2Very low45.7Very low178 Ų178132.8 Ų132.888%0.87779%0.787SS**  trans-70.196.5167.5-75.3-174.1175.300109A92 M96A92-M94 PolarHBondContact O-N 2.91Å; M94-M96 PolarHBondContact O-N 3.09Å
95A46.7Very low44.8Very low94 Ų94131.6 Ų131.678%0.77779%0.789SS**  trans-75.3111.7163.800000108.3R93 P97R93-A95 PolarHBondContact O-N 3.25Å; A95-P97 WeakPolarHBondContact O-CD 3.39Å
96M41.7Very low43.9Very low168 Ų168133 Ų13383%0.82879%0.79SS**  trans-81.6119.7172.7-67.5-81-80.300108.6M94 M98M94-M96 PolarHBondContact O-N 3.09Å; M96-M98 PolarHBondContact O-N 2.93Å
97P40.6Very low43.1Very low105 Ų105135.5 Ų135.568%0.68280%0.799SS**  trans-73.9118.9175.129-32000110.2A95 N99A95-P97 WeakPolarHBondContact O-CD 3.39Å; P97-N99 VanDerWaalsContact C-N 3.26Å; P97-N99 PolarHBondContact O-N 3.32Å
98M48.6Very low42.4Very low189 Ų189138 Ų13893%0.93180%0.804SS**  trans-75.578.5166.8-81.9-71-67.500109.6M96M96-M98 PolarHBondContact O-N 2.93Å
99N44.1Very low41.8Very low149 Ų149142 Ų14280%0.79780%0.799SS**PPolyproline II helixtrans-90.2127.9168.3-84.331.8000110P97P97-N99 VanDerWaalsContact C-N 3.26Å; P97-N99 PolarHBondContact O-N 3.32Å
100S43.8Very low41.1Very low113 Ų113142.8 Ų142.879%0.7980%0.799SS**PPolyproline II helixtrans-63143.7-174.849.10000113.7P102S100-P102 WeakPolarHBondContact O-CD 3.37Å
101L43.4Very low40.6Very low170 Ų170144.4 Ų144.489%0.8980%0.796SS**PPolyproline II helixtrans-55.2126.8170.2-136.884.9000111.5
102P40.2Very low40Very low118 Ų118144.6 Ų144.677%0.76680%0.795SS**PPolyproline II helixtrans-88.8153.6155.133.9-28.1000110.6S100S100-P102 WeakPolarHBondContact O-CD 3.37Å
103L38.5Very low39.2Very low160 Ų160144.9 Ų144.984%0.83879%0.791SS**PPolyproline II helixtrans-93.9160.7-168.1-159.1133.7000112.6
104L45Very low38.4Very low155 Ų155137.5 Ų137.581%0.81278%0.778SS**  trans-30.9142-179.7-81.794.9000118.7
105A35Very low37.7Very low94 Ų94138.3 Ų138.378%0.77778%0.777SS**  -151.6108129.400000106.4
106D32.1Very low37Very low123 Ų123140.7 Ų140.766%0.65878%0.782SS**  84.8109.473.2-16519.6000112.7
107F27.5Very low36.7Very low209 Ų209138 Ų13892%0.91778%0.777SS**  trans-151.499.8160.5-83.8-67000107.7
108T32.8Very low36.3Very low106 Ų106141.1 Ų141.165%0.6579%0.787SS**  trans-60.1162.6152.855.50000109.3
109E38.3Very low35.9Very low166 Ų166138.2 Ų138.278%0.77678%0.78SS**  cis-148.1158.531.3-70.1170.913100112.4
110D34.1Very low35.5Very low150 Ų150139 Ų13980%0.80278%0.776SS**  trans52.7130.4148.8-57.9-13.4000122.4
111D32.9Very low35.1Very low121 Ų121139.9 Ų139.965%0.64778%0.776SS**  cis-154.1171.3-19.4-17129.6000106.3S113D111-S113 PolarHBondContact OD2-N 3.06Å; D111-S113 VanDerWaalsContact OD2-N 3.15Å
112T30.8Very low34.9Very low130 Ų130138.8 Ų138.880%0.79877%0.767SS**  -156.4137.587.9-16.10000114.2
113S31.5Very low34.9Very low95 Ų95140.6 Ų140.666%0.66477%0.77SS**  trans-37.5146.3157.3-920000115.3D111D111-S113 PolarHBondContact OD2-N 3.06Å; D111-S113 VanDerWaalsContact OD2-N 3.15Å
114S32.3Very low35.1Very low94 Ų94140.4 Ų140.466%0.65777%0.768SS**  cis-169.7139.7-5.9530000113.6
115K31.6Very low35.1Very low196 Ų196136.3 Ų136.385%0.85276%0.757SS**  trans52.8111.2140.5-62.6174.3-178.71720121
116T32.5Very low35.8Very low144 Ų144139.8 Ų139.888%0.88376%0.76SS**  -155.2158.7125.93.40000109
117P34.4Very low36.8Very low112 Ų112137.6 Ų137.673%0.72775%0.751SS**  trans-79.5149.9-155.231.4-36.5000114.2T119P117-T119 PolarHBondContact O-N 3.43Å
118L33.2Very low38.3Very low170 Ų170130 Ų13089%0.8972%0.724SS**  trans-7188.7174.2-168.376.6000110.3K120L118-K120 PolarHBondContact O-N 2.91Å
119T39.2Very low40.1Very low127 Ų127130 Ų13078%0.77972%0.724SS**  trans-62.2110.1152.219.90000106.7P117 V121P117-T119 PolarHBondContact O-N 3.43Å; T119-V121 PolarHBondContact O-N 3.27Å
120K35.5Very low41.5Very low167 Ų167128.6 Ų128.673%0.72672%0.717SS**  trans-43.2116.2168.4-170.1-178-175-170.60107.8L118 E122L118-K120 PolarHBondContact O-N 2.91Å; K120-E122 HydrophobicContact CD-CG 4.5Å; K120-E122 PolarHBondContact O-N 3.41Å
121V36.6Very low43.2Very low130 Ų130128.7 Ų128.779%0.78871%0.71SS**  trans-67.991162.71790000104.2T119 D123T119-V121 PolarHBondContact O-N 3.27Å; V121-D123 PolarHBondContact O-N 3.34Å
122E39.3Very low45Very low148 Ų148128.1 Ų128.169%0.69270%0.704SS**  trans-53.3135.3163.5-66.2-175.5136.500106.7K120 I124K120-E122 HydrophobicContact CD-CG 4.5Å; K120-E122 PolarHBondContact O-N 3.41Å; E122-I124 PolarHBondContact O-N 3.28Å
123D38.8Very low47Very low155 Ų155125.2 Ų125.283%0.82969%0.686SS**  trans-42.4128-180-61.4-75.7000108.6V121 A125V121-D123 PolarHBondContact O-N 3.34Å; D123-A125 WeakPolarHBondContact O-CA 3.44Å; D123-A125 PolarHBondContact O-N 3.38Å
124I44.2Very low48.7Very low157 Ų157125.7 Ų125.781%0.80568%0.679SS**  trans-54.1101.7176.4-65.3173.4000105.2E122 I126E122-I124 PolarHBondContact O-N 3.28Å; I124-I126 PolarHBondContact O-N 2.99Å; I124-I126 VanDerWaalsContact O-N 3.1Å
125A45.1Very low50.4Low69 Ų69125.6 Ų125.657%0.5767%0.671SS**  trans-58.1129.7-17200000105.1D123 V127D123-A125 WeakPolarHBondContact O-CA 3.44Å; D123-A125 PolarHBondContact O-N 3.38Å; A125-V127 HydrophobicContact CB-CG2 4.36Å; A125-V127 PolarHBondContact O-N 3.49Å
126I48.7Very low51.7Low166 Ų166123.4 Ų123.485%0.85167%0.666SS**  trans-65.284.8158.8-57.8173.9000103.5I124 S128I124-I126 PolarHBondContact O-N 2.99Å; I124-I126 VanDerWaalsContact O-N 3.1Å; I126-S128 VanDerWaalsContact C-N 3.27Å; I126-S128 PolarHBondContact O-N 3.13Å
127V53.2Low53.2Low77 Ų77120 Ų12047%0.46764%0.641SS.*  trans-58104.5169.1-179.30000102.4A125 V129 Q132A125-V127 HydrophobicContact CB-CG2 4.36Å; A125-V127 PolarHBondContact O-N 3.49Å; V127-V129 PolarHBondContact O-N 3.44Å; V127-Q132 HydrophobicContact CG1-CB 3.93Å
128S59.4Low54.4Low49 Ų49121.6 Ų121.634%0.34364%0.636SS.*  trans-48.6125.1-178.6-179.50000106.3I126 E130 K131 Q132I126-S128 VanDerWaalsContact C-N 3.27Å; I126-S128 PolarHBondContact O-N 3.13Å; S128-E130 CarbonylContact O-C 3.53Å; S128-E130 PolarHBondContact O-N 3.26Å; S128-K131 WeakPolarHBondContact O-CA 3.49Å; S128-K131 WeakPolarHBondContact O-CB 3.46Å; S128-K131 PolarHBondContact O-N 3.32Å; S128-Q132 PolarHBondContact O-N 3.23Å; S128-Q132 VanDerWaalsContact O-N 3.16Å
129V71.3Confident55.3Low108 Ų108121.4 Ų121.466%0.65564%0.636SS**Hα-helixtrans-53.4-34.5-173.1176.90000109.8V127 Q132 V133V127-V129 PolarHBondContact O-N 3.44Å; V129-Q132 PolarHBondContact O-N 3.07Å; V129-V133 HydrophobicContact CG1-CG2 4.16Å; V129-V133 WeakPolarHBondContact O-CB 3.48Å; V129-V133 VanDerWaalsContact O-CG2 3.23Å; V129-V133 WeakPolarHBondContact O-CG2 3.36Å; V129-V133 PolarHBondContact O-N 3Å
130E65.9Low56.5Low135 Ų135119.4 Ų119.463%0.63162%0.623SS**Hα-helixtrans-50.1-52.1167.1-177.6-178.1-153.500114.3S128 V133 M134S128-E130 CarbonylContact O-C 3.53Å; S128-E130 PolarHBondContact O-N 3.26Å; E130-V133 PolarHBondContact O-N 3.25Å; E130-M134 WeakPolarHBondContact O-CB 3.42Å; E130-M134 WeakPolarHBondContact O-CG 3.39Å; E130-M134 PolarHBondContact O-N 3.42Å
131K69.7Low57.8Low152 Ų152117.2 Ų117.266%0.66163%0.629SS**Hα-helixtrans-64.3-40.4177.5-71.7-173177.4-176.80111.7S128 D135S128-K131 WeakPolarHBondContact O-CA 3.49Å; S128-K131 WeakPolarHBondContact O-CB 3.46Å; S128-K131 PolarHBondContact O-N 3.32Å; K131-D135 VanDerWaalsContact O-CB 3.28Å; K131-D135 WeakPolarHBondContact O-CB 3.29Å; K131-D135 PolarHBondContact O-N 3.11Å
132Q71.6Confident59.2Low109 Ų109114.9 Ų114.951%0.50961%0.612SS.*Hα-helixtrans-68.6-39.6178.6-168.3171.4-2.500111.9V127 S128 V129 D135 M136V127-Q132 HydrophobicContact CG1-CB 3.93Å; S128-Q132 PolarHBondContact O-N 3.23Å; S128-Q132 VanDerWaalsContact O-N 3.16Å; V129-Q132 PolarHBondContact O-N 3.07Å; Q132-D135 PolarHBondContact O-N 3.46Å; Q132-M136 WeakPolarHBondContact O-CG 3.43Å; Q132-M136 PolarHBondContact O-N 2.92Å
133V73.5Confident60.7Low69 Ų69109.7 Ų109.742%0.41859%0.591SS.*Hα-helixtrans-66.1-45.5174.6168.70000110.8V129 E130 D135 M136 M137V129-V133 HydrophobicContact CG1-CG2 4.16Å; V129-V133 WeakPolarHBondContact O-CB 3.48Å; V129-V133 VanDerWaalsContact O-CG2 3.23Å; V129-V133 WeakPolarHBondContact O-CG2 3.36Å; V129-V133 PolarHBondContact O-N 3Å; E130-V133 PolarHBondContact O-N 3.25Å; V133-D135 VanDerWaalsContact C-N 3.32Å; V133-D135 PolarHBondContact O-N 3.32Å; V133-M136 CarbonylContact O-C 3.57Å; V133-M136 PolarHBondContact O-N 3.32Å; V133-M137 HydrophobicContact CG1-CG 4.41Å; V133-M137 HydrophobicContact CG1-SD 3.66Å; V133-M137 WeakPolarHBondContact O-CB 3.36Å; V133-M137 VanDerWaalsContact O-CG 3.25Å; V133-M137 WeakPolarHBondContact O-CG 3.28Å; V133-M137 PolarHBondContact O-N 2.78Å
134M66.9Low62.3Low105 Ų105110 Ų11052%0.51759%0.587SS.*Hα-helixtrans-63-36.2175-72.2-65.5-155.300112.5E130 M137 K138 L142E130-M134 WeakPolarHBondContact O-CB 3.42Å; E130-M134 WeakPolarHBondContact O-CG 3.39Å; E130-M134 PolarHBondContact O-N 3.42Å; M134-M137 PolarHBondContact O-N 2.89Å; M134-K138 PolarHBondContact O-N 2.85Å; M134-L142 HydrophobicContact CE-CD1 4.43Å; M134-L142 HydrophobicContact SD-CD1 4.18Å
135D68.7Low63.8Low93 Ų93106.9 Ų106.950%0.49757%0.568SS.*Hα-helixtrans-66.9-36.4175.6-157.381.3000112.2K131 Q132 V133 M137 K138K131-D135 VanDerWaalsContact O-CB 3.28Å; K131-D135 WeakPolarHBondContact O-CB 3.29Å; K131-D135 PolarHBondContact O-N 3.11Å; Q132-D135 PolarHBondContact O-N 3.46Å; V133-D135 VanDerWaalsContact C-N 3.32Å; V133-D135 PolarHBondContact O-N 3.32Å; D135-M137 VanDerWaalsContact C-N 3.32Å; D135-K138 VanDerWaalsContact O-CD 3.32Å; D135-K138 WeakPolarHBondContact O-CD 3.33Å; D135-K138 VanDerWaalsContact O-CG 3.31Å; D135-K138 WeakPolarHBondContact O-CG 3.06Å; D135-K138 WeakPolarHBondContact OD1-CE 3.24Å; D135-K138 IonicContact OD1-NZ 2.62Å; D135-K138 PolarHBondContact OD1-NZ 3.34Å; D135-K138 IonicContact OD2-NZ 2.95Å; D135-K138 PolarHBondContact OD2-NZ 3.02Å
136M57.8Low65.4Low150 Ų150109.7 Ų109.774%0.73957%0.574SS**Hα-helixtrans-76.5-14.6172.9-70.3-178.665.800114Q132 V133Q132-M136 WeakPolarHBondContact O-CG 3.43Å; Q132-M136 PolarHBondContact O-N 2.92Å; V133-M136 CarbonylContact O-C 3.57Å; V133-M136 PolarHBondContact O-N 3.32Å
137M64.3Low67Low73 Ų73108.3 Ų108.336%0.3656%0.563SS.*THydrogen-bonded Turntrans-102.915.9179.9-72.4-179.365.300113.4V133 M134 D135 D139 V140 L142V133-M137 HydrophobicContact CG1-CG 4.41Å; V133-M137 HydrophobicContact CG1-SD 3.66Å; V133-M137 WeakPolarHBondContact O-CB 3.36Å; V133-M137 VanDerWaalsContact O-CG 3.25Å; V133-M137 WeakPolarHBondContact O-CG 3.28Å; V133-M137 PolarHBondContact O-N 2.78Å; M134-M137 PolarHBondContact O-N 2.89Å; D135-M137 VanDerWaalsContact C-N 3.32Å; M137-D139 PolarHBondContact O-N 2.97Å; M137-V140 PolarHBondContact O-N 3.41Å; M137-L142 HydrophobicContact CE-CD1 4.07Å
138K59.1Low68.6Low144 Ų144109.1 Ų109.163%0.62657%0.569SS**THydrogen-bonded Turntrans-51.4-25.6-176.9-86.1170.7-179.3153.40115.8M134 D135 V140M134-K138 PolarHBondContact O-N 2.85Å; D135-K138 VanDerWaalsContact O-CD 3.32Å; D135-K138 WeakPolarHBondContact O-CD 3.33Å; D135-K138 VanDerWaalsContact O-CG 3.31Å; D135-K138 WeakPolarHBondContact O-CG 3.06Å; D135-K138 WeakPolarHBondContact OD1-CE 3.24Å; D135-K138 IonicContact OD1-NZ 2.62Å; D135-K138 PolarHBondContact OD1-NZ 3.34Å; D135-K138 IonicContact OD2-NZ 2.95Å; D135-K138 PolarHBondContact OD2-NZ 3.02Å; K138-V140 VanDerWaalsContact C-N 3.34Å
139D53.4Low70Confident166 Ų166113.7 Ų113.789%0.88858%0.583SS**THydrogen-bonded Turntrans-84.7-3.7-179.9-57.2-37.6000113.6M137M137-D139 PolarHBondContact O-N 2.97Å
140V63.6Low70.6Confident86 Ų86114.3 Ų114.352%0.52158%0.582SS.*  trans-111.3106-178-175.80000110.8M137 K138 L142M137-V140 PolarHBondContact O-N 3.41Å; K138-V140 VanDerWaalsContact C-N 3.34Å; V140-L142 HydrophobicContact CG1-CG 4.43Å; V140-L142 PolarHBondContact O-N 3.32Å
141S62.2Low71.5Confident121 Ų121109.2 Ų109.285%0.84656%0.563SS**  trans-73.687174.959.90000111.7
142L66.9Low72.3Confident80 Ų80103 Ų10342%0.41954%0.537SS..PPolyproline II helixtrans-66.3131.2173.2-74.9152000111M134 M137 V140 F145M134-L142 HydrophobicContact CE-CD1 4.43Å; M134-L142 HydrophobicContact SD-CD1 4.18Å; M137-L142 HydrophobicContact CE-CD1 4.07Å; V140-L142 HydrophobicContact CG1-CG 4.43Å; V140-L142 PolarHBondContact O-N 3.32Å; L142-F145 HydrophobicContact CD2-CE2 4.12Å; L142-F145 HydrophobicContact CD2-CZ 4.17Å
143P70.6Confident72.9Confident39 Ų3999.3 Ų99.325%0.25352%0.52SS..PPolyproline II helixtrans-71.5160.2174.130.2-34.3000111.5F145 L156P143-F145 HydrophobicContact CG-CE1 3.92Å; P143-F145 HydrophobicContact CG-CZ 4.09Å; P143-F145 PolarHBondContact O-N 2.92Å; P143-L156 HydrophobicContact CG-CD1 3.71Å
144Q71.3Confident73.5Confident161 Ų161103.5 Ų103.575%0.75253%0.529SS*.PPolyproline II helixtrans-71.9129.7176.6-72.2-163.11.100112N146Q144-N146 PolarHBondContact O-N 3.06Å; Q144-N146 PolarHBondContact OE1-ND2 2.69Å
145F77.2Confident74.4Confident92 Ų92100.9 Ų100.940%0.40452%0.521SS..  trans-100.665.5-176.5-61.4-55.8000111.8L142 P143 N152 L156L142-F145 HydrophobicContact CD2-CE2 4.12Å; L142-F145 HydrophobicContact CD2-CZ 4.17Å; P143-F145 HydrophobicContact CG-CE1 3.92Å; P143-F145 HydrophobicContact CG-CZ 4.09Å; P143-F145 PolarHBondContact O-N 2.92Å; F145-N152 WeakPolarHBondContact CA-OD1 3.45Å; F145-N152 HydrophobicContact CB-CB 4.47Å; F145-N152 HydrophobicContact CD1-CB 3.77Å; F145-L156 HydrophobicContact CE1-CD1 4.15Å; F145-L156 HydrophobicContact CE1-CD2 4.44Å; F145-L156 HydrophobicContact CZ-CD1 4.18Å; F145-L156 HydrophobicContact CZ-CD2 4.4Å
146N77.8Confident75.1Confident129 Ų12997.1 Ų97.169%0.6950%0.501SS*.  trans-89.1-7.5-174.2-61.9-19.4000113.7Q144Q144-N146 PolarHBondContact O-N 3.06Å; Q144-N146 PolarHBondContact OE1-ND2 2.69Å
147E81.9Confident76.4Confident136 Ų13694.8 Ų94.864%0.63649%0.488SS*.SBendtrans-99-175-178.9-74.4-68.7165.900112.6A151 N152E147-A151 HydrophobicContact CB-CB 3.86Å; E147-N152 WeakPolarHBondContact CB-OD1 3.29Å; E147-N152 PolarHBondContact N-OD1 2.8Å; E147-N152 PolarHBondContact O-ND2 2.88Å
148T88.5Confident77.3Confident95 Ų9598.7 Ų98.758%0.58351%0.505SS*.  trans-60.5150.4168.966.40000111.8L150 A151 N152T148-L150 VanDerWaalsContact C-N 3.26Å; T148-L150 PolarHBondContact O-N 3.45Å; T148-L150 VanDerWaalsContact O-N 3.13Å; T148-A151 PolarHBondContact O-N 2.93Å; T148-A151 WeakPolarHBondContact OG1-CB 3.31Å; T148-A151 PolarHBondContact OG1-N 3.12Å; T148-N152 PolarHBondContact O-N 2.93Å; T148-N152 PolarHBondContact O-ND2 3.12Å
149F86.9Confident78.4Confident144 Ų14497.5 Ų97.563%0.63250%0.502SS*.Hα-helixtrans-49.3-42.4179.4177-106.5000113.8L153F149-L153 HydrophobicContact CD1-CD1 3.96Å; F149-L153 HydrophobicContact CE1-CD1 3.39Å; F149-L153 HydrophobicContact CE1-CG 4.24Å; F149-L153 HydrophobicContact CE2-CD1 4.19Å; F149-L153 HydrophobicContact CE2-CG 4.24Å; F149-L153 HydrophobicContact CZ-CD1 3.53Å; F149-L153 HydrophobicContact CZ-CD2 4.44Å; F149-L153 HydrophobicContact CZ-CG 4.07Å; F149-L153 WeakPolarHBondContact O-CB 3.26Å; F149-L153 WeakPolarHBondContact O-CG 3.45Å; F149-L153 PolarHBondContact O-N 2.77Å
150L85.9Confident79.8Confident121 Ų12192.4 Ų92.463%0.63447%0.474SS*.Hα-helixtrans-71.8-32.8178.5-65.8178.2000113.3T148 R154T148-L150 VanDerWaalsContact C-N 3.26Å; T148-L150 PolarHBondContact O-N 3.45Å; T148-L150 VanDerWaalsContact O-N 3.13Å; L150-R154 WeakPolarHBondContact O-CB 3.22Å; L150-R154 PolarHBondContact O-N 2.93Å; L150-R154 VanDerWaalsContact O-N 3.09Å
151A83.4Confident80.9Confident29 Ų2993.4 Ų93.424%0.2448%0.477CS..Hα-helixtrans-72.1-42.6174.100000111.2E147 T148 R154 S155E147-A151 HydrophobicContact CB-CB 3.86Å; T148-A151 PolarHBondContact O-N 2.93Å; T148-A151 WeakPolarHBondContact OG1-CB 3.31Å; T148-A151 PolarHBondContact OG1-N 3.12Å; A151-R154 PolarHBondContact O-N 3.49Å; A151-S155 PolarHBondContact O-N 3.26Å
152N85.9Confident82Confident21 Ų2194.9 Ų94.911%0.11247%0.47CS..Hα-helixtrans-57.2-48.1171.9-71.9-29.7000111.5F145 E147 T148 R154 S155 L156F145-N152 WeakPolarHBondContact CA-OD1 3.45Å; F145-N152 HydrophobicContact CB-CB 4.47Å; F145-N152 HydrophobicContact CD1-CB 3.77Å; E147-N152 WeakPolarHBondContact CB-OD1 3.29Å; E147-N152 PolarHBondContact N-OD1 2.8Å; E147-N152 PolarHBondContact O-ND2 2.88Å; T148-N152 PolarHBondContact O-N 2.93Å; T148-N152 PolarHBondContact O-ND2 3.12Å; N152-R154 PolarHBondContact O-N 2.76Å; N152-S155 PolarHBondContact O-N 2.89Å; N152-L156 WeakPolarHBondContact O-CB 3.5Å; N152-L156 PolarHBondContact O-N 2.71Å
153L85.4Confident83Confident31 Ų3194.9 Ų94.916%0.16248%0.477CS..Hα-helixtrans-60.2-42.2175.6-79.5-179.9000112.7F149 S155 L156 Q157 W165 F168 M172F149-L153 HydrophobicContact CD1-CD1 3.96Å; F149-L153 HydrophobicContact CE1-CD1 3.39Å; F149-L153 HydrophobicContact CE1-CG 4.24Å; F149-L153 HydrophobicContact CE2-CD1 4.19Å; F149-L153 HydrophobicContact CE2-CG 4.24Å; F149-L153 HydrophobicContact CZ-CD1 3.53Å; F149-L153 HydrophobicContact CZ-CD2 4.44Å; F149-L153 HydrophobicContact CZ-CG 4.07Å; F149-L153 WeakPolarHBondContact O-CB 3.26Å; F149-L153 WeakPolarHBondContact O-CG 3.45Å; F149-L153 PolarHBondContact O-N 2.77Å; L153-S155 VanDerWaalsContact C-N 3.33Å; L153-L156 PolarHBondContact O-N 3.4Å; L153-Q157 WeakPolarHBondContact O-CB 3.39Å; L153-Q157 PolarHBondContact O-N 3.41Å; L153-W165 HydrophobicContact CD2-CH2 4.34Å; L153-W165 WeakPolarHBondContact O-CH2 3.5Å; L153-F168 HydrophobicContact CD2-CE1 3.73Å; L153-F168 HydrophobicContact CD2-CZ 4Å; L153-M172 HydrophobicContact CD2-CE 4.43Å; L153-M172 HydrophobicContact CD2-SD 4.06Å
154R85.4Confident83.6Confident158 Ų15897.8 Ų97.860%0.59649%0.487SS*.Hα-helixtrans-65.8-36.9177.3-170.5-174.6-62.7133.20.2112L150 A151 N152 Q158L150-R154 WeakPolarHBondContact O-CB 3.22Å; L150-R154 PolarHBondContact O-N 2.93Å; L150-R154 VanDerWaalsContact O-N 3.09Å; A151-R154 PolarHBondContact O-N 3.49Å; N152-R154 PolarHBondContact O-N 2.76Å; R154-Q158 WeakPolarHBondContact O-CG 3.44Å
155S85.4Confident84.4Confident50 Ų5091 Ų9135%0.3545%0.454SS..Hα-helixtrans-66.9-42.9174-162.30000111.2A151 N152 L153 Q157 Q158 Q159A151-S155 PolarHBondContact O-N 3.26Å; N152-S155 PolarHBondContact O-N 2.89Å; L153-S155 VanDerWaalsContact C-N 3.33Å; S155-Q157 VanDerWaalsContact C-N 3.34Å; S155-Q157 PolarHBondContact O-N 2.91Å; S155-Q158 PolarHBondContact O-N 3.02Å; S155-Q159 WeakPolarHBondContact O-CG 3.36Å; S155-Q159 PolarHBondContact O-N 2.89Å; S155-Q159 PolarHBondContact OG-NE2 3.31Å; S155-Q159 VanDerWaalsContact OG-NE2 3.08Å
156L83.8Confident84.9Confident14 Ų1491.3 Ų91.37%0.07346%0.456CS..Hα-helixtrans-62.7-39177.9-163.766.6000112.1P143 F145 N152 L153 Q158 Q159 I160 W165 F168P143-L156 HydrophobicContact CG-CD1 3.71Å; F145-L156 HydrophobicContact CE1-CD1 4.15Å; F145-L156 HydrophobicContact CE1-CD2 4.44Å; F145-L156 HydrophobicContact CZ-CD1 4.18Å; F145-L156 HydrophobicContact CZ-CD2 4.4Å; N152-L156 WeakPolarHBondContact O-CB 3.5Å; N152-L156 PolarHBondContact O-N 2.71Å; L153-L156 PolarHBondContact O-N 3.4Å; L156-Q158 PolarHBondContact O-N 3.47Å; L156-Q159 PolarHBondContact O-N 3.36Å; L156-I160 HydrophobicContact CD1-CD1 3.57Å; L156-I160 HydrophobicContact CD1-CG1 4.02Å; L156-I160 HydrophobicContact CD2-CD1 4.29Å; L156-I160 HydrophobicContact CG-CD1 3.68Å; L156-I160 HydrophobicContact CG-CG1 4.24Å; L156-I160 PolarHBondContact O-N 2.94Å; L156-I160 VanDerWaalsContact O-N 3.11Å; L156-W165 HydrophobicContact CB-CZ3 3.95Å; L156-W165 HydrophobicContact CD2-CZ3 4.08Å; L156-W165 HydrophobicContact CG-CZ3 3.95Å; L156-F168 HydrophobicContact CD2-CE1 3.98Å; L156-F168 HydrophobicContact CD2-CZ 4.18Å
157Q85.3Confident85.4Confident101 Ų10190.7 Ų90.747%0.47245%0.452SS..Hα-helixtrans-58.2-29.3173-175.5173.822.500113.3L153 S155 W165L153-Q157 WeakPolarHBondContact O-CB 3.39Å; L153-Q157 PolarHBondContact O-N 3.41Å; S155-Q157 VanDerWaalsContact C-N 3.34Å; S155-Q157 PolarHBondContact O-N 2.91Å; Q157-W165 HydrophobicContact CB-CD2 4.11Å; Q157-W165 HydrophobicContact CB-CE3 4.25Å; Q157-W165 HydrophobicContact CB-CH2 3.75Å; Q157-W165 HydrophobicContact CB-CZ2 3.6Å; Q157-W165 HydrophobicContact CB-CZ3 4.08Å; Q157-W165 HydrophobicContact CG-CD2 4.12Å; Q157-W165 HydrophobicContact CG-CZ2 3.88Å
158Q83.3Confident85.8Confident155 Ų15587 Ų8772%0.72443%0.434SS*.Hα-helixtrans-90.4-14.8-178.8-68177.5-23.100113.4R154 S155 L156R154-Q158 WeakPolarHBondContact O-CG 3.44Å; S155-Q158 PolarHBondContact O-N 3.02Å; L156-Q158 PolarHBondContact O-N 3.47Å
159Q82.4Confident85.8Confident118 Ų11885.5 Ų85.555%0.55142%0.421SS*.Hα-helixtrans-105.9-22.6-175.2-67.4178.230.400113.7S155 L156S155-Q159 WeakPolarHBondContact O-CG 3.36Å; S155-Q159 PolarHBondContact O-N 2.89Å; S155-Q159 PolarHBondContact OG-NE2 3.31Å; S155-Q159 VanDerWaalsContact OG-NE2 3.08Å; L156-Q159 PolarHBondContact O-N 3.36Å
160I82.8Confident86.1Confident59 Ų5981.3 Ų81.330%0.30341%0.409SS..SBendtrans-96.3148.9-178.7-67.4-169.8000110.9L156 E164 W165L156-I160 HydrophobicContact CD1-CD1 3.57Å; L156-I160 HydrophobicContact CD1-CG1 4.02Å; L156-I160 HydrophobicContact CD2-CD1 4.29Å; L156-I160 HydrophobicContact CG-CD1 3.68Å; L156-I160 HydrophobicContact CG-CG1 4.24Å; L156-I160 PolarHBondContact O-N 2.94Å; L156-I160 VanDerWaalsContact O-N 3.11Å; I160-E164 HydrophobicContact CG2-CB 3.41Å; I160-E164 VanDerWaalsContact CG2-CB 3.41Å; I160-W165 HydrophobicContact CG2-CB 4.27Å
161N86.2Confident86.4Confident108 Ų10882.8 Ų82.858%0.57841%0.407SS*.  trans-63.3145176.7-61.3-68.4000111.9S163 E164 W165N161-S163 VanDerWaalsContact C-N 3.26Å; N161-S163 PolarHBondContact O-N 2.75Å; N161-S163 VanDerWaalsContact O-N 3.1Å; N161-E164 HydrophobicContact CB-CG 4.39Å; N161-E164 WeakPolarHBondContact CB-OE2 3.38Å; N161-E164 PolarHBondContact ND2-OE2 3.03Å; N161-E164 PolarHBondContact O-N 2.67Å; N161-W165 WeakPolarHBondContact O-CB 3.35Å; N161-W165 PolarHBondContact O-N 2.93Å
162E86.4Confident86.7Confident151 Ų15183.2 Ų83.271%0.70640%0.404SS*.Hα-helixtrans-45.8-44.9178.9-82.9-89.5175.300113.6W165 K166E162-W165 PolarHBondContact O-N 3.43Å; E162-K166 WeakPolarHBondContact O-CB 3.32Å; E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 3Å
163S87.6Confident86.9Confident80 Ų8089.4 Ų89.456%0.55943%0.426SS*.Hα-helixtrans-66.1-44.1-179.949.80000113.3N161 K166 N167N161-S163 VanDerWaalsContact C-N 3.26Å; N161-S163 PolarHBondContact O-N 2.75Å; N161-S163 VanDerWaalsContact O-N 3.1Å; S163-K166 PolarHBondContact O-N 2.99Å; S163-N167 PolarHBondContact O-N 3.12Å; S163-N167 VanDerWaalsContact O-N 3.11Å; S163-N167 PolarHBondContact O-ND2 3.03Å
164E83.4Confident87.1Confident101 Ų10195 Ų9547%0.47245%0.446SS..Hα-helixtrans-68-40.1177.7-66.9171.9146.900110.6I160 N161 N167 F168I160-E164 HydrophobicContact CG2-CB 3.41Å; I160-E164 VanDerWaalsContact CG2-CB 3.41Å; N161-E164 HydrophobicContact CB-CG 4.39Å; N161-E164 WeakPolarHBondContact CB-OE2 3.38Å; N161-E164 PolarHBondContact ND2-OE2 3.03Å; N161-E164 PolarHBondContact O-N 2.67Å; E164-N167 WeakPolarHBondContact O-CB 3.27Å; E164-N167 PolarHBondContact O-N 2.79Å; E164-F168 WeakPolarHBondContact O-CB 3.4Å; E164-F168 PolarHBondContact O-N 3.42Å
165W88.3Confident87.4Confident18 Ų1893.1 Ų93.17%0.06844%0.439CS..Hα-helixtrans-62.5-42.3174-175.6-102.3000112.1L153 L156 Q157 I160 N161 E162 N167 F168 E169L153-W165 HydrophobicContact CD2-CH2 4.34Å; L153-W165 WeakPolarHBondContact O-CH2 3.5Å; L156-W165 HydrophobicContact CB-CZ3 3.95Å; L156-W165 HydrophobicContact CD2-CZ3 4.08Å; L156-W165 HydrophobicContact CG-CZ3 3.95Å; Q157-W165 HydrophobicContact CB-CD2 4.11Å; Q157-W165 HydrophobicContact CB-CE3 4.25Å; Q157-W165 HydrophobicContact CB-CH2 3.75Å; Q157-W165 HydrophobicContact CB-CZ2 3.6Å; Q157-W165 HydrophobicContact CB-CZ3 4.08Å; Q157-W165 HydrophobicContact CG-CD2 4.12Å; Q157-W165 HydrophobicContact CG-CZ2 3.88Å; I160-W165 HydrophobicContact CG2-CB 4.27Å; N161-W165 WeakPolarHBondContact O-CB 3.35Å; N161-W165 PolarHBondContact O-N 2.93Å; E162-W165 PolarHBondContact O-N 3.43Å; W165-N167 VanDerWaalsContact C-N 3.34Å; W165-N167 PolarHBondContact O-N 3.27Å; W165-F168 HydrophobicContact CD2-CD1 4.5Å; W165-F168 AromaticContact CE3-CD1 3.8Å; W165-F168 HydrophobicContact CE3-CD1 3.8Å; W165-F168 HydrophobicContact CE3-CE1 4.42Å; W165-F168 AromaticContact CH2-CD1 3.97Å; W165-F168 HydrophobicContact CH2-CD1 3.97Å; W165-F168 AromaticContact CH2-CE1 3.92Å; W165-F168 HydrophobicContact CH2-CE1 3.92Å; W165-F168 AromaticContact CZ3-CD1 3.51Å; W165-F168 HydrophobicContact CZ3-CD1 3.51Å; W165-F168 AromaticContact CZ3-CE1 3.67Å; W165-F168 HydrophobicContact CZ3-CE1 3.67Å; W165-F168 PolarHBondContact O-N 3.33Å; W165-E169 HydrophobicContact CZ2-CG 4.34Å; W165-E169 VanDerWaalsContact NE1-CD 3.27Å; W165-E169 PolarHBondContact NE1-OE1 3.01Å; W165-E169 PolarHBondContact O-N 3.5Å
166K87.9Confident87.6Confident98 Ų9895.4 Ų95.443%0.42645%0.447SS..Hα-helixtrans-65.4-34.6175.7-69.8-70.9155.3-152.30113E162 S163 E169 S170E162-K166 WeakPolarHBondContact O-CB 3.32Å; E162-K166 WeakPolarHBondContact O-CG 3.42Å; E162-K166 PolarHBondContact O-N 3Å; S163-K166 PolarHBondContact O-N 2.99Å; K166-E169 WeakPolarHBondContact CD-OE2 3.35Å; K166-E169 IonicContact NZ-OE1 2.69Å; K166-E169 IonicContact NZ-OE2 3.68Å; K166-E169 PolarHBondContact NZ-OE2 3.28Å; K166-S170 WeakPolarHBondContact O-CB 3.36Å; K166-S170 PolarHBondContact O-N 2.99Å; K166-S170 PolarHBondContact O-OG 3.03Å
167N88Confident87.9Confident116 Ų11699 Ų9962%0.6247%0.465SS*.Hα-helixtrans-65.9-43.1171.6-71.7-25.2000111.2S163 E164 W165 S170 W171S163-N167 PolarHBondContact O-N 3.12Å; S163-N167 VanDerWaalsContact O-N 3.11Å; S163-N167 PolarHBondContact O-ND2 3.03Å; E164-N167 WeakPolarHBondContact O-CB 3.27Å; E164-N167 PolarHBondContact O-N 2.79Å; W165-N167 VanDerWaalsContact C-N 3.34Å; W165-N167 PolarHBondContact O-N 3.27Å; N167-S170 PolarHBondContact O-N 3.36Å; N167-W171 WeakPolarHBondContact O-CB 3.35Å; N167-W171 PolarHBondContact O-N 3.49Å
168F89.6Confident88Confident58 Ų5899.7 Ų99.725%0.25447%0.467SS..Hα-helixtrans-65.8-45176.8178.1-114.1000113L153 L156 E164 W165 S170 W171 M172L153-F168 HydrophobicContact CD2-CE1 3.73Å; L153-F168 HydrophobicContact CD2-CZ 4Å; L156-F168 HydrophobicContact CD2-CE1 3.98Å; L156-F168 HydrophobicContact CD2-CZ 4.18Å; E164-F168 WeakPolarHBondContact O-CB 3.4Å; E164-F168 PolarHBondContact O-N 3.42Å; W165-F168 HydrophobicContact CD2-CD1 4.5Å; W165-F168 AromaticContact CE3-CD1 3.8Å; W165-F168 HydrophobicContact CE3-CD1 3.8Å; W165-F168 HydrophobicContact CE3-CE1 4.42Å; W165-F168 AromaticContact CH2-CD1 3.97Å; W165-F168 HydrophobicContact CH2-CD1 3.97Å; W165-F168 AromaticContact CH2-CE1 3.92Å; W165-F168 HydrophobicContact CH2-CE1 3.92Å; W165-F168 AromaticContact CZ3-CD1 3.51Å; W165-F168 HydrophobicContact CZ3-CD1 3.51Å; W165-F168 AromaticContact CZ3-CE1 3.67Å; W165-F168 HydrophobicContact CZ3-CE1 3.67Å; W165-F168 PolarHBondContact O-N 3.33Å; F168-S170 VanDerWaalsContact C-N 3.3Å; F168-S170 PolarHBondContact O-N 2.96Å; F168-W171 HydrophobicContact CD2-CE3 4.06Å; F168-W171 HydrophobicContact CD2-CZ3 4.45Å; F168-W171 HydrophobicContact CE2-CE3 4.05Å; F168-W171 AromaticContact CE2-CZ3 4Å; F168-W171 HydrophobicContact CE2-CZ3 4Å; F168-W171 PolarHBondContact O-N 3.38Å; F168-M172 HydrophobicContact CD1-CE 3.53Å; F168-M172 HydrophobicContact CD1-SD 4.19Å; F168-M172 HydrophobicContact CD2-CG 4.3Å; F168-M172 HydrophobicContact CE1-CE 3.3Å; F168-M172 HydrophobicContact CE1-CG 4.22Å; F168-M172 HydrophobicContact CE1-SD 3.48Å; F168-M172 WeakPolarHBondContact CE1-SD 3.45Å; F168-M172 HydrophobicContact CE2-CG 3.92Å; F168-M172 HydrophobicContact CE2-SD 4.1Å; F168-M172 HydrophobicContact CG-CE 4.31Å; F168-M172 HydrophobicContact CZ-CE 3.91Å; F168-M172 HydrophobicContact CZ-CG 3.88Å; F168-M172 HydrophobicContact CZ-SD 3.42Å; F168-M172 WeakPolarHBondContact CZ-SD 3.44Å; F168-M172 WeakPolarHBondContact O-CB 3.48Å; F168-M172 WeakPolarHBondContact O-CG 3.49Å; F168-M172 PolarHBondContact O-N 2.77Å
169E89.6Confident88.1Confident64 Ų6495.5 Ų95.530%0.29945%0.447SS..Hα-helixtrans-56-45171.7-78.3-177.3166.400111.6W165 K166 M172 R173W165-E169 HydrophobicContact CZ2-CG 4.34Å; W165-E169 VanDerWaalsContact NE1-CD 3.27Å; W165-E169 PolarHBondContact NE1-OE1 3.01Å; W165-E169 PolarHBondContact O-N 3.5Å; K166-E169 WeakPolarHBondContact CD-OE2 3.35Å; K166-E169 IonicContact NZ-OE1 2.69Å; K166-E169 IonicContact NZ-OE2 3.68Å; K166-E169 PolarHBondContact NZ-OE2 3.28Å; E169-M172 PolarHBondContact O-N 3.06Å; E169-R173 VanDerWaalsContact O-CB 3.31Å; E169-R173 WeakPolarHBondContact O-CB 3.49Å; E169-R173 PolarHBondContact O-N 2.76Å
170S91.8Very high87.9Confident57 Ų5795.9 Ų95.940%0.39945%0.451SS..Hα-helixtrans-64.3-46.7178.5-620000111.3K166 N167 F168 R173 Y174K166-S170 WeakPolarHBondContact O-CB 3.36Å; K166-S170 PolarHBondContact O-N 2.99Å; K166-S170 PolarHBondContact O-OG 3.03Å; N167-S170 PolarHBondContact O-N 3.36Å; F168-S170 VanDerWaalsContact C-N 3.3Å; F168-S170 PolarHBondContact O-N 2.96Å; S170-R173 PolarHBondContact O-N 3.04Å; S170-Y174 WeakPolarHBondContact O-CD2 3.42Å; S170-Y174 PolarHBondContact O-N 3.21Å
171W92.3Very high87.6Confident151 Ų15197 Ų9757%0.57247%0.468SS*.Hα-helixtrans-60.1-48.4175.8174.885.5000111.7N167 F168 R173 Y174 W175N167-W171 WeakPolarHBondContact O-CB 3.35Å; N167-W171 PolarHBondContact O-N 3.49Å; F168-W171 HydrophobicContact CD2-CE3 4.06Å; F168-W171 HydrophobicContact CD2-CZ3 4.45Å; F168-W171 HydrophobicContact CE2-CE3 4.05Å; F168-W171 AromaticContact CE2-CZ3 4Å; F168-W171 HydrophobicContact CE2-CZ3 4Å; F168-W171 PolarHBondContact O-N 3.38Å; W171-R173 VanDerWaalsContact C-N 3.33Å; W171-R173 PolarHBondContact O-N 2.98Å; W171-Y174 PolarHBondContact O-N 3.36Å; W171-W175 HydrophobicContact CZ2-CG 4.48Å; W171-W175 VanDerWaalsContact O-CB 3.26Å; W171-W175 WeakPolarHBondContact O-CB 3.46Å; W171-W175 PolarHBondContact O-N 3.39Å
172M89.2Confident87.3Confident39 Ų3997 Ų9719%0.19247%0.465CS..Hα-helixtrans-58.5-43.5175.8-76.7-166.7-65.300111.8L153 F168 E169 W175 L176L153-M172 HydrophobicContact CD2-CE 4.43Å; L153-M172 HydrophobicContact CD2-SD 4.06Å; F168-M172 HydrophobicContact CD1-CE 3.53Å; F168-M172 HydrophobicContact CD1-SD 4.19Å; F168-M172 HydrophobicContact CD2-CG 4.3Å; F168-M172 HydrophobicContact CE1-CE 3.3Å; F168-M172 HydrophobicContact CE1-CG 4.22Å; F168-M172 HydrophobicContact CE1-SD 3.48Å; F168-M172 WeakPolarHBondContact CE1-SD 3.45Å; F168-M172 HydrophobicContact CE2-CG 3.92Å; F168-M172 HydrophobicContact CE2-SD 4.1Å; F168-M172 HydrophobicContact CG-CE 4.31Å; F168-M172 HydrophobicContact CZ-CE 3.91Å; F168-M172 HydrophobicContact CZ-CG 3.88Å; F168-M172 HydrophobicContact CZ-SD 3.42Å; F168-M172 WeakPolarHBondContact CZ-SD 3.44Å; F168-M172 WeakPolarHBondContact O-CB 3.48Å; F168-M172 WeakPolarHBondContact O-CG 3.49Å; F168-M172 PolarHBondContact O-N 2.77Å; E169-M172 PolarHBondContact O-N 3.06Å; M172-W175 PolarHBondContact O-N 3.45Å; M172-L176 WeakPolarHBondContact O-CB 3.4Å; M172-L176 VanDerWaalsContact O-CG 3.29Å; M172-L176 WeakPolarHBondContact O-CG 3.36Å; M172-L176 PolarHBondContact O-N 3.06Å
173R90.3Very high86.5Confident150 Ų15095.2 Ų95.257%0.56646%0.457SS*.Hα-helixtrans-61.2-46.9177.4176.7175172.7-99.80.6111.5E169 S170 W171 L176 I177E169-R173 VanDerWaalsContact O-CB 3.31Å; E169-R173 WeakPolarHBondContact O-CB 3.49Å; E169-R173 PolarHBondContact O-N 2.76Å; S170-R173 PolarHBondContact O-N 3.04Å; W171-R173 VanDerWaalsContact C-N 3.33Å; W171-R173 PolarHBondContact O-N 2.98Å; R173-L176 PolarHBondContact O-N 2.98Å; R173-I177 HydrophobicContact CG-CD1 4.06Å; R173-I177 WeakPolarHBondContact O-CD1 3.39Å; R173-I177 VanDerWaalsContact O-CG1 3.26Å; R173-I177 WeakPolarHBondContact O-CG1 3.36Å; R173-I177 PolarHBondContact O-N 3.48Å
174Y91.3Very high85.3Confident148 Ų148100 Ų10058%0.5847%0.467SS*.Hα-helixtrans-68-37.6176.8-72.2-59.9000112.4S170 W171 I177 F178S170-Y174 WeakPolarHBondContact O-CD2 3.42Å; S170-Y174 PolarHBondContact O-N 3.21Å; W171-Y174 PolarHBondContact O-N 3.36Å; Y174-I177 HydrophobicContact CD1-CD1 4.49Å; Y174-I177 PolarHBondContact O-N 3.35Å; Y174-F178 VanDerWaalsContact O-CB 3.32Å; Y174-F178 WeakPolarHBondContact O-CB 3.5Å; Y174-F178 PolarHBondContact O-N 3.09Å
175W90.3Very high84.4Confident119 Ų119100.6 Ų100.645%0.45148%0.48SS..Hα-helixtrans-63.7-42.6175.3-17888.5000111.8W171 M172 F178 Q179W171-W175 HydrophobicContact CZ2-CG 4.48Å; W171-W175 VanDerWaalsContact O-CB 3.26Å; W171-W175 WeakPolarHBondContact O-CB 3.46Å; W171-W175 PolarHBondContact O-N 3.39Å; M172-W175 PolarHBondContact O-N 3.45Å; W175-F178 PolarHBondContact O-N 2.93Å; W175-Q179 HydrophobicContact CD2-CG 3.98Å; W175-Q179 HydrophobicContact CE3-CG 4.08Å; W175-Q179 HydrophobicContact CH2-CG 3.92Å; W175-Q179 HydrophobicContact CZ2-CG 3.81Å; W175-Q179 HydrophobicContact CZ3-CG 4.05Å; W175-Q179 WeakPolarHBondContact O-CB 3.48Å; W175-Q179 WeakPolarHBondContact O-CG 3.38Å; W175-Q179 PolarHBondContact O-N 2.97Å
176L91Very high82.7Confident98 Ų98104 Ų10451%0.51351%0.511SS..Hα-helixtrans-63.4-44.6173.4-73.9170.9000111.7M172 R173 F178 Q179 M180M172-L176 WeakPolarHBondContact O-CB 3.4Å; M172-L176 VanDerWaalsContact O-CG 3.29Å; M172-L176 WeakPolarHBondContact O-CG 3.36Å; M172-L176 PolarHBondContact O-N 3.06Å; R173-L176 PolarHBondContact O-N 2.98Å; L176-F178 VanDerWaalsContact C-N 3.29Å; L176-F178 PolarHBondContact O-N 3.49Å; L176-Q179 PolarHBondContact O-N 3.47Å; L176-M180 VanDerWaalsContact O-CG 3.24Å; L176-M180 WeakPolarHBondContact O-CG 3.3Å; L176-M180 PolarHBondContact O-N 2.96Å
177I88.3Confident81Confident90 Ų90101.9 Ų101.946%0.46252%0.518SS..Hα-helixtrans-59.5-42.7174.6-69.2163.5000110.7R173 Y174 M180 A181R173-I177 HydrophobicContact CG-CD1 4.06Å; R173-I177 WeakPolarHBondContact O-CD1 3.39Å; R173-I177 VanDerWaalsContact O-CG1 3.26Å; R173-I177 WeakPolarHBondContact O-CG1 3.36Å; R173-I177 PolarHBondContact O-N 3.48Å; Y174-I177 HydrophobicContact CD1-CD1 4.49Å; Y174-I177 PolarHBondContact O-N 3.35Å; I177-M180 PolarHBondContact O-N 3.49Å; I177-A181 WeakPolarHBondContact O-CB 3.35Å; I177-A181 PolarHBondContact O-N 3.03Å
178F88.3Confident79.1Confident116 Ų116102.3 Ų102.351%0.50953%0.527SS..Hα-helixtrans-65.4-41.4176.4178-115.8000112.3Y174 W175 L176 A181 Q182Y174-F178 VanDerWaalsContact O-CB 3.32Å; Y174-F178 WeakPolarHBondContact O-CB 3.5Å; Y174-F178 PolarHBondContact O-N 3.09Å; W175-F178 PolarHBondContact O-N 2.93Å; L176-F178 VanDerWaalsContact C-N 3.29Å; L176-F178 PolarHBondContact O-N 3.49Å; F178-A181 PolarHBondContact O-N 3.29Å; F178-Q182 HydrophobicContact CD1-CG 4.43Å; F178-Q182 HydrophobicContact CD2-CG 4.2Å; F178-Q182 HydrophobicContact CE1-CG 4.09Å; F178-Q182 HydrophobicContact CE2-CG 3.81Å; F178-Q182 HydrophobicContact CG-CG 4.49Å; F178-Q182 HydrophobicContact CZ-CG 3.75Å; F178-Q182 WeakPolarHBondContact O-CB 3.42Å; F178-Q182 WeakPolarHBondContact O-CG 3.48Å; F178-Q182 PolarHBondContact O-N 3.49Å
179Q86.1Confident77Confident66 Ų66103.7 Ų103.731%0.30854%0.54SS..Hα-helixtrans-60.1-44.1171.8-75.2-65.5-31.400111.7W175 L176 A181 Q182 Q183W175-Q179 HydrophobicContact CD2-CG 3.98Å; W175-Q179 HydrophobicContact CE3-CG 4.08Å; W175-Q179 HydrophobicContact CH2-CG 3.92Å; W175-Q179 HydrophobicContact CZ2-CG 3.81Å; W175-Q179 HydrophobicContact CZ3-CG 4.05Å; W175-Q179 WeakPolarHBondContact O-CB 3.48Å; W175-Q179 WeakPolarHBondContact O-CG 3.38Å; W175-Q179 PolarHBondContact O-N 2.97Å; L176-Q179 PolarHBondContact O-N 3.47Å; Q179-A181 VanDerWaalsContact C-N 3.28Å; Q179-A181 PolarHBondContact O-N 3.34Å; Q179-Q182 PolarHBondContact O-N 3.18Å; Q179-Q183 WeakPolarHBondContact O-CG 3.23Å; Q179-Q183 PolarHBondContact O-N 2.69Å
180M78.4Confident75.1Confident127 Ų127106.9 Ų106.963%0.62657%0.566SS**Hα-helixtrans-66.6-28.2176-64.9-65-71.400112.8L176 I177 Q183L176-M180 VanDerWaalsContact O-CG 3.24Å; L176-M180 WeakPolarHBondContact O-CG 3.3Å; L176-M180 PolarHBondContact O-N 2.96Å; I177-M180 PolarHBondContact O-N 3.49Å; M180-Q183 PolarHBondContact SD-NE2 3.16Å; M180-Q183 VanDerWaalsContact SD-NE2 3.45Å
181A75.8Confident72.9Confident81 Ų81110.9 Ų110.967%0.66958%0.579SS**Hα-helixtrans-81.2-31.1173.800000113.3I177 F178 Q179I177-A181 WeakPolarHBondContact O-CB 3.35Å; I177-A181 PolarHBondContact O-N 3.03Å; F178-A181 PolarHBondContact O-N 3.29Å; Q179-A181 VanDerWaalsContact C-N 3.28Å; Q179-A181 PolarHBondContact O-N 3.34Å
182Q79.1Confident71Confident109 Ų109109.4 Ų109.451%0.50959%0.589SS.*Hα-helixtrans-77.3-24.3173.5-76-165.7111.400113.1F178 Q179 K184F178-Q182 HydrophobicContact CD1-CG 4.43Å; F178-Q182 HydrophobicContact CD2-CG 4.2Å; F178-Q182 HydrophobicContact CE1-CG 4.09Å; F178-Q182 HydrophobicContact CE2-CG 3.81Å; F178-Q182 HydrophobicContact CG-CG 4.49Å; F178-Q182 HydrophobicContact CZ-CG 3.75Å; F178-Q182 WeakPolarHBondContact O-CB 3.42Å; F178-Q182 WeakPolarHBondContact O-CG 3.48Å; F178-Q182 PolarHBondContact O-N 3.49Å; Q179-Q182 PolarHBondContact O-N 3.18Å; Q182-K184 PolarHBondContact O-N 3.37Å
183Q70.8Confident69.2Low114 Ų114111.8 Ų111.853%0.53362%0.615SS.*SBendtrans-5995.1164.6-79.1174.747.900108.3Q179 M180Q179-Q183 WeakPolarHBondContact O-CG 3.23Å; Q179-Q183 PolarHBondContact O-N 2.69Å; M180-Q183 PolarHBondContact SD-NE2 3.16Å; M180-Q183 VanDerWaalsContact SD-NE2 3.45Å
184K61.7Low67.5Low180 Ų180109.4 Ų109.478%0.78362%0.621SS**  trans-43.4116.1166.3-179.6178.4-176.71780106.3Q182 A186Q182-K184 PolarHBondContact O-N 3.37Å; K184-A186 PolarHBondContact O-N 2.88Å; K184-A186 VanDerWaalsContact O-N 3.12Å
185P63.6Low66.2Low113 Ų113108.3 Ų108.373%0.73462%0.624SS**  trans-53.3128.3-173.221.8-33.5000106.9G187P185-G187 WeakPolarHBondContact O-CA 3.26Å; P185-G187 PolarHBondContact O-N 3.31Å
186A53.2Low65.4Low89 Ų89110 Ų11074%0.73664%0.641SS**  trans-42.3104.7-167.900000108.8K184 P188K184-A186 PolarHBondContact O-N 2.88Å; K184-A186 VanDerWaalsContact O-N 3.12Å; A186-P188 VanDerWaalsContact O-N 3.09Å
187G52.4Low65Low54 Ų54109.3 Ų109.356%0.55763%0.634SS**  trans-54.6124.5-170.200000106.2P185 T189P185-G187 WeakPolarHBondContact O-CA 3.26Å; P185-G187 PolarHBondContact O-N 3.31Å; G187-T189 PolarHBondContact O-N 3.26Å
188P47.9Very low65.1Low126 Ų126107 Ų10782%0.81862%0.624SS**  trans-46.7113.9-150.814.1-30.6000109A186A186-P188 VanDerWaalsContact O-N 3.09Å
189T46.4Very low65.2Low86 Ų86106.4 Ų106.453%0.52862%0.621SS.*  trans-49.6146.3171.7-14.40000106G187 Q191G187-T189 PolarHBondContact O-N 3.26Å; T189-Q191 PolarHBondContact O-N 3.12Å
190P48.4Very low65.5Low131 Ų131103.3 Ų103.385%0.85161%0.607SS**  trans-69.255.1167.129.8-35.3000110.9
191Q46.8Very low66.1Low141 Ų14199.4 Ų99.466%0.65959%0.587SS**  trans-53.6132.5141.9-57-174.713.900105.6T189 A193T189-Q191 PolarHBondContact O-N 3.12Å; Q191-A193 PolarHBondContact O-N 2.92Å; Q191-A193 VanDerWaalsContact O-N 3.12Å
192P52.3Low66.8Low121 Ų121101.1 Ų101.179%0.78658%0.582SS**SBendtrans-54.1126.7174.524.9-33.3000107.1S194P192-S194 PolarHBondContact O-N 3.17Å
193A50.6Low67.2Low89 Ų89100.5 Ų100.574%0.73658%0.58SS**  trans-35.9116.4-166.800000110.3Q191 L195Q191-A193 PolarHBondContact O-N 2.92Å; Q191-A193 VanDerWaalsContact O-N 3.12Å; A193-L195 WeakPolarHBondContact O-CA 3.39Å; A193-L195 PolarHBondContact O-N 2.89Å
194S55.8Low68Low100 Ų10095.8 Ų95.870%0.69956%0.56SS**  trans-53106.3-177.6440000107P192 I196P192-S194 PolarHBondContact O-N 3.17Å; S194-I196 VanDerWaalsContact C-N 3.35Å; S194-I196 WeakPolarHBondContact O-CG1 3.44Å; S194-I196 PolarHBondContact O-N 3.28Å
195L63.1Low69Low124 Ų12490 Ų9065%0.64954%0.54SS*.  trans-66.6100.1-160.6-174.377.9000106.3A193 K197A193-L195 WeakPolarHBondContact O-CA 3.39Å; A193-L195 PolarHBondContact O-N 2.89Å; L195-K197 HydrophobicContact CD2-CD 4.42Å; L195-K197 HydrophobicContact CD2-CG 3.7Å; L195-K197 HydrophobicContact CG-CG 4.01Å; L195-K197 PolarHBondContact O-N 3.28Å
196I73.5Confident69.3Low155 Ų15589.9 Ų89.980%0.79554%0.539SS*.  trans-68.881.4174.8-57.7-177.3000105.1S194 T198S194-I196 VanDerWaalsContact C-N 3.35Å; S194-I196 WeakPolarHBondContact O-CG1 3.44Å; S194-I196 PolarHBondContact O-N 3.28Å; I196-T198 PolarHBondContact O-N 2.98Å
197K83.1Confident69.9Low83 Ų8388.5 Ų88.536%0.36153%0.533SS..  trans-61.6122.7-177.7-78.2-174.4175.9-179.20107L195 Q201 M202 T205L195-K197 HydrophobicContact CD2-CD 4.42Å; L195-K197 HydrophobicContact CD2-CG 3.7Å; L195-K197 HydrophobicContact CG-CG 4.01Å; L195-K197 PolarHBondContact O-N 3.28Å; K197-Q201 HydrophobicContact CB-CB 3.97Å; K197-Q201 HydrophobicContact CG-CB 4.16Å; K197-M202 HydrophobicContact CB-CG 3.54Å; K197-M202 HydrophobicContact CD-CG 4.39Å; K197-T205 PolarHBondContact NZ-OG1 3.23Å
198T89.6Confident70.5Confident43 Ų4394 Ų9426%0.26456%0.556SS.*  trans-61.8165.5171.3640000110.5I196 C200 Q201 M202 G222I196-T198 PolarHBondContact O-N 2.98Å; T198-C200 VanDerWaalsContact C-N 3.28Å; T198-C200 PolarHBondContact O-N 2.78Å; T198-Q201 PolarHBondContact O-N 2.9Å; T198-Q201 VanDerWaalsContact OG1-CG 3.31Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.17Å; T198-Q201 PolarHBondContact OG1-N 2.72Å; T198-M202 WeakPolarHBondContact O-CG 3.41Å; T198-M202 PolarHBondContact O-N 2.55Å; T198-G222 WeakPolarHBondContact CB-O 3.46Å; T198-G222 VanDerWaalsContact OG1-C 3.3Å; T198-G222 VanDerWaalsContact OG1-CA 3.32Å; T198-G222 WeakPolarHBondContact OG1-CA 3.25Å; T198-G222 PolarHBondContact OG1-O 3.37Å
199K91Very high71.4Confident103 Ų10390.6 Ų90.645%0.44854%0.544SS..Hα-helixtrans-47.2-50.6174.5-172.4-166.4163.2-163.10111.9Q201 M202 E203 Y224 S242K199-Q201 PolarHBondContact O-N 3.25Å; K199-M202 PolarHBondContact O-N 3Å; K199-E203 WeakPolarHBondContact CE-OE1 3.14Å; K199-E203 WeakPolarHBondContact O-CG 3.44Å; K199-E203 PolarHBondContact O-N 2.88Å; K199-Y224 HydrophobicContact CD-CE2 4.21Å; K199-Y224 VanDerWaalsContact CD-OH 3.27Å; K199-Y224 WeakPolarHBondContact CD-OH 3.23Å; K199-Y224 WeakPolarHBondContact CE-OH 3.12Å; K199-Y224 WeakPolarHBondContact CG-OH 3.44Å; K199-S242 PolarHBondContact NZ-O 2.82Å
200C91.8Very high72.5Confident0 Ų095.6 Ų95.60%056%0.558CS.*Hα-helixtrans-60.7-44.7177.2-1750000112.3T198 M202 E203 A204 C218 G222 Y224T198-C200 VanDerWaalsContact C-N 3.28Å; T198-C200 PolarHBondContact O-N 2.78Å; C200-M202 VanDerWaalsContact C-N 3.32Å; C200-M202 PolarHBondContact O-N 3.25Å; C200-E203 PolarHBondContact O-N 2.86Å; C200-A204 WeakPolarHBondContact O-CB 3.46Å; C200-A204 PolarHBondContact O-N 3.3Å; C200-C218 HydrophobicContact CB-CB 4Å; C200-C218 WeakPolarHBondContact CB-SG 3.27Å; C200-C218 PolarHBondContact O-SG 3.3Å; C200-C218 WeakPolarHBondContact SG-CA 3.5Å; C200-C218 WeakPolarHBondContact SG-CB 3.28Å; C200-C218 CovalentContact SG-SG 2.04Å; C200-C218 PolarHBondContact SG-SG 3.32Å; C200-G222 WeakPolarHBondContact CB-O 3.44Å; C200-Y224 HydrophobicContact CB-CD1 3.86Å; C200-Y224 HydrophobicContact CB-CD2 4.06Å; C200-Y224 HydrophobicContact CB-CE1 3.7Å; C200-Y224 HydrophobicContact CB-CE2 3.89Å; C200-Y224 HydrophobicContact CB-CG 4.04Å; C200-Y224 VanDerWaalsContact SG-CD1 3.56Å
201Q91.8Very high73.9Confident46 Ų4698.1 Ų98.122%0.21556%0.563CS.*Hα-helixtrans-67.9-30.4-179.3-70.5170.8-8.200113K197 T198 K199 T205 G222K197-Q201 HydrophobicContact CB-CB 3.97Å; K197-Q201 HydrophobicContact CG-CB 4.16Å; T198-Q201 PolarHBondContact O-N 2.9Å; T198-Q201 VanDerWaalsContact OG1-CG 3.31Å; T198-Q201 WeakPolarHBondContact OG1-CG 3.17Å; T198-Q201 PolarHBondContact OG1-N 2.72Å; K199-Q201 PolarHBondContact O-N 3.25Å; Q201-T205 PolarHBondContact O-N 3.22Å; Q201-T205 PolarHBondContact O-OG1 2.91Å; Q201-G222 VanDerWaalsContact NE2-CA 3.3Å
202M90.1Very high75.5Confident116 Ų11693.2 Ų93.257%0.57155%0.55SS*.Hα-helixtrans-68.8-49.9171.2-67.7-169.1-70.600110.9K197 T198 K199 C200 A204 T205K197-M202 HydrophobicContact CB-CG 3.54Å; K197-M202 HydrophobicContact CD-CG 4.39Å; T198-M202 WeakPolarHBondContact O-CG 3.41Å; T198-M202 PolarHBondContact O-N 2.55Å; K199-M202 PolarHBondContact O-N 3Å; C200-M202 VanDerWaalsContact C-N 3.32Å; C200-M202 PolarHBondContact O-N 3.25Å; M202-A204 VanDerWaalsContact C-N 3.3Å; M202-A204 PolarHBondContact O-N 3.28Å; M202-T205 VanDerWaalsContact O-CB 3.23Å; M202-T205 WeakPolarHBondContact O-CB 3.39Å; M202-T205 PolarHBondContact O-N 3.21Å; M202-T205 VanDerWaalsContact O-N 3.1Å; M202-T205 PolarHBondContact O-OG1 3.15Å
203E88.4Confident77.1Confident97 Ų9790.3 Ų90.345%0.45354%0.536SS..Hα-helixtrans-64.8-30.3177.3-68.2171.6-175.200113.3K199 C200 T205 P216 Y224K199-E203 WeakPolarHBondContact CE-OE1 3.14Å; K199-E203 WeakPolarHBondContact O-CG 3.44Å; K199-E203 PolarHBondContact O-N 2.88Å; C200-E203 PolarHBondContact O-N 2.86Å; E203-T205 VanDerWaalsContact C-N 3.32Å; E203-P216 HydrophobicContact CB-CG 3.65Å; E203-Y224 PolarHBondContact OE1-OH 3.46Å; E203-Y224 WeakPolarHBondContact OE2-CE1 3.15Å; E203-Y224 PolarHBondContact OE2-OH 3.12Å
204A86.8Confident78.8Confident15 Ų1589.7 Ų89.712%0.12452%0.515CS..THydrogen-bonded Turntrans-81.7-8175.400000113.7C200 M202 K215 P216C200-A204 WeakPolarHBondContact O-CB 3.46Å; C200-A204 PolarHBondContact O-N 3.3Å; M202-A204 VanDerWaalsContact C-N 3.3Å; M202-A204 PolarHBondContact O-N 3.28Å; A204-K215 HydrophobicContact CB-CG 4.44Å; A204-K215 WeakPolarHBondContact O-CE 3.06Å; A204-K215 PolarHBondContact O-NZ 2.96Å; A204-K215 VanDerWaalsContact O-NZ 3.12Å; A204-P216 HydrophobicContact CB-CG 4.16Å; A204-P216 WeakPolarHBondContact CB-O 3.31Å
205T82.8Confident80.6Confident57 Ų5790.5 Ų90.535%0.3551%0.506SS..SBendtrans-67.2129.1173.8-64.60000108.2K197 Q201 M202 E203 G207K197-T205 PolarHBondContact NZ-OG1 3.23Å; Q201-T205 PolarHBondContact O-N 3.22Å; Q201-T205 PolarHBondContact O-OG1 2.91Å; M202-T205 VanDerWaalsContact O-CB 3.23Å; M202-T205 WeakPolarHBondContact O-CB 3.39Å; M202-T205 PolarHBondContact O-N 3.21Å; M202-T205 VanDerWaalsContact O-N 3.1Å; M202-T205 PolarHBondContact O-OG1 3.15Å; E203-T205 VanDerWaalsContact C-N 3.32Å; T205-G207 VanDerWaalsContact C-N 3.31Å; T205-G207 PolarHBondContact O-N 2.82Å
206P68.7Low82Confident112 Ų11284.9 Ų84.973%0.72748%0.477SS*.  trans-68.889.917728.9-33.9000109.8
207G66.4Low83Confident59 Ų5979.6 Ų79.661%0.60845%0.449SS*.  trans-71.7-174.8164.500000111.3T205 G209T205-G207 VanDerWaalsContact C-N 3.31Å; T205-G207 PolarHBondContact O-N 2.82Å; G207-G209 PolarHBondContact O-N 2.57Å
208V65.6Low83.5Confident169 Ų16976.8 Ų76.8100%1.02444%0.439SS*.SBendtrans-74.161.2172.5-169.10000109.7
209G65.8Low83.6Confident56 Ų5677 Ų7758%0.57744%0.439SS*.PPolyproline II helixtrans-93.5143.7-179.400000111.4G207G207-G209 PolarHBondContact O-N 2.57Å
210K69.8Low83.5Confident191 Ų19180.6 Ų80.683%0.8346%0.458SS*.PPolyproline II helixtrans-57.4140.2177.3-60.6-177.7-179.2-177.50110.4G212 A213K210-G212 PolarHBondContact O-N 3.25Å; K210-A213 WeakPolarHBondContact O-CB 3.32Å; K210-A213 PolarHBondContact O-N 2.8Å
211I77.8Confident83.3Confident183 Ų18386.4 Ų86.494%0.93849%0.485SS*.THydrogen-bonded Turntrans-54.6130.4175.2-61171.4000108.7
212G80.4Confident83.2Confident38 Ų3884.3 Ų84.339%0.39248%0.476SS..THydrogen-bonded Turntrans86.41.6-175.700000115.5K210 W230 A232K210-G212 PolarHBondContact O-N 3.25Å; G212-W230 PolarHBondContact O-NE1 3.22Å; G212-A232 VanDerWaalsContact O-CB 3.3Å; G212-A232 WeakPolarHBondContact O-CB 3.19Å
213A85.8Confident83.3Confident60 Ų6083.9 Ų83.950%0.49647%0.472SS..  trans-57.8152.5169.200000112.2K210K210-A213 WeakPolarHBondContact O-CB 3.32Å; K210-A213 PolarHBondContact O-N 2.8Å
214Y87.7Confident83.5Confident77 Ų7780.1 Ų80.130%0.30245%0.453SS..  trans-66.9135.2173.3169-107.4000110.6P216 Q228 W230 W237Y214-P216 HydrophobicContact CE1-CB 4.09Å; Y214-Q228 HydrophobicContact CE2-CB 4.41Å; Y214-Q228 WeakPolarHBondContact OH-CB 3.04Å; Y214-Q228 WeakPolarHBondContact OH-CG 3.36Å; Y214-Q228 PolarHBondContact OH-OE1 2.82Å; Y214-W230 HydrophobicContact CD2-CB 3.88Å; Y214-W230 HydrophobicContact CD2-CG 4.08Å; Y214-W237 AromaticContact CD2-CH2 3.75Å; Y214-W237 HydrophobicContact CD2-CH2 3.75Å; Y214-W237 HydrophobicContact CD2-CZ2 4.06Å; Y214-W237 HydrophobicContact CE1-CZ2 4.38Å; Y214-W237 AromaticContact CE2-CH2 3.58Å; Y214-W237 HydrophobicContact CE2-CH2 3.58Å; Y214-W237 AromaticContact CE2-CZ2 3.48Å; Y214-W237 HydrophobicContact CE2-CZ2 3.48Å; Y214-W237 VanDerWaalsContact CE2-CZ2 3.48Å; Y214-W237 HydrophobicContact CG-CH2 4.48Å; Y214-W237 AromaticContact CZ-CZ2 3.64Å
215K91.9Very high83.8Confident117 Ų11784.2 Ų84.251%0.50947%0.469SS..  trans-124.6119.3174.1171.7171.7171.3158.60108.3A204A204-K215 HydrophobicContact CB-CG 4.44Å; A204-K215 WeakPolarHBondContact O-CE 3.06Å; A204-K215 PolarHBondContact O-NZ 2.96Å; A204-K215 VanDerWaalsContact O-NZ 3.12Å
216P93.3Very high84.3Confident6 Ų685.2 Ų85.24%0.03948%0.476CS..  trans-68.1147.9179.625.5-31000112E203 A204 Y214 Y224 Q228E203-P216 HydrophobicContact CB-CG 3.65Å; A204-P216 HydrophobicContact CB-CG 4.16Å; A204-P216 WeakPolarHBondContact CB-O 3.31Å; Y214-P216 HydrophobicContact CE1-CB 4.09Å; P216-Y224 HydrophobicContact CB-CD1 4.09Å; P216-Y224 HydrophobicContact CB-CE1 3.93Å; P216-Y224 HydrophobicContact CG-CE1 4.44Å; P216-Q228 VanDerWaalsContact CA-OE1 3.25Å
217Q93.9Very high85.5Confident44 Ų4482.4 Ų82.421%0.20645%0.454CS..  trans-97.9115.5175.2-64.789.37.900110.5K225 Q228 C229 H231Q217-K225 HydrophobicContact CB-CD 4.15Å; Q217-K225 WeakPolarHBondContact O-CB 3.31Å; Q217-K225 PolarHBondContact O-N 2.82Å; Q217-Q228 PolarHBondContact O-NE2 2.95Å; Q217-C229 PolarHBondContact NE2-O 2.84Å; Q217-H231 PolarHBondContact NE2-NE2 2.04Å
218C94Very high86.9Confident23 Ų2379.6 Ų79.616%0.15543%0.425CS..BIsolated β-bridgetrans-97.1158.7178.1-40.10000112.3C200 H223 K225C200-C218 HydrophobicContact CB-CB 4Å; C200-C218 WeakPolarHBondContact CB-SG 3.27Å; C200-C218 PolarHBondContact O-SG 3.3Å; C200-C218 WeakPolarHBondContact SG-CA 3.5Å; C200-C218 WeakPolarHBondContact SG-CB 3.28Å; C200-C218 CovalentContact SG-SG 2.04Å; C200-C218 PolarHBondContact SG-SG 3.32Å; C218-H223 CarbonylContact C-O 3.54Å; C218-H223 WeakPolarHBondContact CA-O 3.07Å; C218-H223 WeakPolarHBondContact CB-O 3.44Å; C218-K225 WeakPolarHBondContact O-CD 3.42Å; C218-K225 WeakPolarHBondContact O-CE 3.42Å; C218-K225 PolarHBondContact O-NZ 2.93Å
219D91.1Very high88.2Confident47 Ų4772.2 Ų72.225%0.25138%0.381SS..  trans-80.7-177.7163.169.916.1000111.6Q221 G222 H223 K225D219-Q221 VanDerWaalsContact C-N 3.28Å; D219-Q221 VanDerWaalsContact CG-OE1 3.31Å; D219-Q221 PolarHBondContact O-N 3.31Å; D219-Q221 WeakPolarHBondContact OD1-CA 3.13Å; D219-Q221 PolarHBondContact OD1-N 3.46Å; D219-Q221 PolarHBondContact OD1-OE1 2.78Å; D219-G222 PolarHBondContact O-N 3.22Å; D219-G222 PolarHBondContact OD1-N 3.1Å; D219-H223 PolarHBondContact N-O 3.02Å; D219-H223 PolarHBondContact OD1-N 2.77Å; D219-H223 IonicContact OD1-ND1 3.51Å; D219-H223 WeakPolarHBondContact OD2-CB 3.33Å; D219-H223 IonicContact OD2-CG 2.93Å; D219-H223 IonicContact OD2-ND1 3.97Å; D219-H223 PolarHBondContact OD2-ND1 3.42Å; D219-K225 HydrophobicContact CB-CG 4.45Å
220E89.1Confident89.5Confident180 Ų18074 Ų7484%0.84137%0.37SS*.SBendtrans-69.7-28-179-63.1176.917300112.3G222E220-G222 VanDerWaalsContact C-N 3.31Å
221Q88.1Confident90.4Very high122 Ų12272.1 Ų72.157%0.5736%0.364SS*.SBendtrans-81.5-14.1177.6-60.872.723.900111.9D219D219-Q221 VanDerWaalsContact C-N 3.28Å; D219-Q221 VanDerWaalsContact CG-OE1 3.31Å; D219-Q221 PolarHBondContact O-N 3.31Å; D219-Q221 WeakPolarHBondContact OD1-CA 3.13Å; D219-Q221 PolarHBondContact OD1-N 3.46Å; D219-Q221 PolarHBondContact OD1-OE1 2.78Å
222G89.7Confident90.9Very high2 Ų266.6 Ų66.62%0.02135%0.346CS..SBendtrans90.811.3-179.500000115.3T198 C200 Q201 D219 E220T198-G222 WeakPolarHBondContact CB-O 3.46Å; T198-G222 VanDerWaalsContact OG1-C 3.3Å; T198-G222 VanDerWaalsContact OG1-CA 3.32Å; T198-G222 WeakPolarHBondContact OG1-CA 3.25Å; T198-G222 PolarHBondContact OG1-O 3.37Å; C200-G222 WeakPolarHBondContact CB-O 3.44Å; Q201-G222 VanDerWaalsContact NE2-CA 3.3Å; D219-G222 PolarHBondContact O-N 3.22Å; D219-G222 PolarHBondContact OD1-N 3.1Å; E220-G222 VanDerWaalsContact C-N 3.31Å
223H91.9Very high91.4Very high106 Ų10667 Ų6749%0.49134%0.341SS..PPolyproline II helixtrans-77.4164.8167.5-43.8102.4000110.6C218 D219C218-H223 CarbonylContact C-O 3.54Å; C218-H223 WeakPolarHBondContact CA-O 3.07Å; C218-H223 WeakPolarHBondContact CB-O 3.44Å; D219-H223 PolarHBondContact N-O 3.02Å; D219-H223 PolarHBondContact OD1-N 2.77Å; D219-H223 IonicContact OD1-ND1 3.51Å; D219-H223 WeakPolarHBondContact OD2-CB 3.33Å; D219-H223 IonicContact OD2-CG 2.93Å; D219-H223 IonicContact OD2-ND1 3.97Å; D219-H223 PolarHBondContact OD2-ND1 3.42Å
224Y93.3Very high91.6Very high18 Ų1865.8 Ų65.87%0.07133%0.334CS..BIsolated β-bridgetrans-70.1133.4171.3-61.9-92.9000109.8K199 C200 E203 P216 S242 G243K199-Y224 HydrophobicContact CD-CE2 4.21Å; K199-Y224 VanDerWaalsContact CD-OH 3.27Å; K199-Y224 WeakPolarHBondContact CD-OH 3.23Å; K199-Y224 WeakPolarHBondContact CE-OH 3.12Å; K199-Y224 WeakPolarHBondContact CG-OH 3.44Å; C200-Y224 HydrophobicContact CB-CD1 3.86Å; C200-Y224 HydrophobicContact CB-CD2 4.06Å; C200-Y224 HydrophobicContact CB-CE1 3.7Å; C200-Y224 HydrophobicContact CB-CE2 3.89Å; C200-Y224 HydrophobicContact CB-CG 4.04Å; C200-Y224 VanDerWaalsContact SG-CD1 3.56Å; E203-Y224 PolarHBondContact OE1-OH 3.46Å; E203-Y224 WeakPolarHBondContact OE2-CE1 3.15Å; E203-Y224 PolarHBondContact OE2-OH 3.12Å; P216-Y224 HydrophobicContact CB-CD1 4.09Å; P216-Y224 HydrophobicContact CB-CE1 3.93Å; P216-Y224 HydrophobicContact CG-CE1 4.44Å; Y224-S242 VanDerWaalsContact CE2-O 3.25Å; Y224-S242 WeakPolarHBondContact CE2-O 3.42Å; Y224-G243 VanDerWaalsContact CD2-CA 3.42Å; Y224-G243 VanDerWaalsContact CG-CA 3.48Å
225K93.6Very high91.8Very high102 Ų10265.6 Ų65.644%0.44334%0.335SS..PPolyproline II helixtrans-60.4138.8168.2-79.9171.8168.4145.10109.5Q217 C218 D219 M227 Q228 V239Q217-K225 HydrophobicContact CB-CD 4.15Å; Q217-K225 WeakPolarHBondContact O-CB 3.31Å; Q217-K225 PolarHBondContact O-N 2.82Å; C218-K225 WeakPolarHBondContact O-CD 3.42Å; C218-K225 WeakPolarHBondContact O-CE 3.42Å; C218-K225 PolarHBondContact O-NZ 2.93Å; D219-K225 HydrophobicContact CB-CG 4.45Å; K225-M227 CarbonylContact O-C 3.51Å; K225-M227 PolarHBondContact O-N 2.7Å; K225-Q228 PolarHBondContact O-NE2 3.33Å; K225-V239 WeakPolarHBondContact O-CG2 3.45Å
226P92.9Very high92Very high78 Ų7860.7 Ų60.751%0.50632%0.315SS..SBendtrans-55.3-24.9-177.4-28.735000114.6C238 V239 C257P226-C238 CarbonylContact O-C 3.53Å; P226-C238 WeakPolarHBondContact O-CA 3.33Å; P226-V239 PolarHBondContact O-N 2.94Å; P226-C257 HydrophobicContact CB-CB 4.08Å; P226-C257 PolarHBondContact O-SG 2.79Å
227M93.4Very high92.1Very high52 Ų5262 Ų6226%0.25632%0.319SS..EExtended strand (participates in β ladder)trans-111.3127.1171.1-178.1-176.275.200109.7K225 W237 R254 P255K225-M227 CarbonylContact O-C 3.51Å; K225-M227 PolarHBondContact O-N 2.7Å; M227-W237 WeakPolarHBondContact CA-O 3.04Å; M227-R254 HydrophobicContact CE-CG 4.02Å; M227-R254 HydrophobicContact SD-CB 4.41Å; M227-R254 HydrophobicContact SD-CG 3.4Å; M227-R254 WeakPolarHBondContact SD-CG 3.07Å; M227-P255 HydrophobicContact CG-CG 3.99Å; M227-P255 HydrophobicContact SD-CG 4.3Å
228Q94.9Very high92.1Very high0 Ų060.1 Ų60.10%031%0.311CS..EExtended strand (participates in β ladder)trans-112148.6172.2-61.6-65.4-61.600110Y214 P216 Q217 K225 C236 W237 V239Y214-Q228 HydrophobicContact CE2-CB 4.41Å; Y214-Q228 WeakPolarHBondContact OH-CB 3.04Å; Y214-Q228 WeakPolarHBondContact OH-CG 3.36Å; Y214-Q228 PolarHBondContact OH-OE1 2.82Å; P216-Q228 VanDerWaalsContact CA-OE1 3.25Å; Q217-Q228 PolarHBondContact O-NE2 2.95Å; K225-Q228 PolarHBondContact O-NE2 3.33Å; Q228-C236 CarbonylContact O-C 3.53Å; Q228-C236 WeakPolarHBondContact O-CA 3.19Å; Q228-C236 VanDerWaalsContact O-CB 3.24Å; Q228-C236 WeakPolarHBondContact O-CB 3.41Å; Q228-W237 HydrophobicContact CB-CZ2 4.24Å; Q228-W237 PolarHBondContact N-O 2.97Å; Q228-W237 PolarHBondContact O-N 2.89Å; Q228-V239 HydrophobicContact CB-CG1 4.24Å; Q228-V239 HydrophobicContact CG-CB 4.27Å; Q228-V239 HydrophobicContact CG-CG1 3.5Å; Q228-V239 HydrophobicContact CG-CG2 3.71Å
229C94.1Very high92.1Very high15 Ų1559.5 Ų59.510%0.10131%0.306CS..EExtended strand (participates in β ladder)trans-136.8126.5-178.8-73.80000111.9Q217 H231 C236Q217-C229 PolarHBondContact NE2-O 2.84Å; C229-H231 PolarHBondContact O-N 2.86Å; C229-C236 HydrophobicContact CB-CB 4.08Å; C229-C236 WeakPolarHBondContact CB-SG 3.4Å; C229-C236 WeakPolarHBondContact SG-CB 3.16Å; C229-C236 CovalentContact SG-SG 2.04Å; C229-C236 PolarHBondContact SG-SG 2.81Å
230W93Very high92Very high92 Ų9260.4 Ų60.435%0.34831%0.311SS..EExtended strand (participates in β ladder)trans-93.189.4169.2-1683.8000110.2G212 Y214 A232 T233 G234 F235 W237G212-W230 PolarHBondContact O-NE1 3.22Å; Y214-W230 HydrophobicContact CD2-CB 3.88Å; Y214-W230 HydrophobicContact CD2-CG 4.08Å; W230-A232 PolarHBondContact O-N 2.93Å; W230-A232 VanDerWaalsContact O-N 3.14Å; W230-T233 HydrophobicContact CD2-CG2 3.7Å; W230-T233 HydrophobicContact CE3-CG2 3.8Å; W230-T233 HydrophobicContact CG-CG2 4.29Å; W230-T233 HydrophobicContact CH2-CG2 4.05Å; W230-T233 HydrophobicContact CZ2-CG2 3.96Å; W230-T233 HydrophobicContact CZ3-CG2 3.98Å; W230-T233 PolarHBondContact O-N 3.34Å; W230-T233 VanDerWaalsContact O-N 3.08Å; W230-T233 PolarHBondContact O-OG1 3.18Å; W230-G234 PolarHBondContact O-N 3.48Å; W230-F235 PolarHBondContact N-O 2.88Å; W230-W237 HydrophobicContact CB-CH2 3.88Å; W230-W237 HydrophobicContact CB-CZ3 3.87Å
231H89Confident92Very high152 Ų15260.7 Ų60.770%0.70431%0.312SS*.THydrogen-bonded Turntrans-58.7-28.8-173.9-62.6-71.9000114.5Q217 C229 T233Q217-H231 PolarHBondContact NE2-NE2 2.04Å; C229-H231 PolarHBondContact O-N 2.86Å; H231-T233 VanDerWaalsContact C-N 3.34Å; H231-T233 PolarHBondContact O-N 2.04Å
232A88.4Confident92Very high67 Ų6758.1 Ų58.155%0.55431%0.308SS*.THydrogen-bonded Turntrans-70.2-27178.100000113.8G212 W230G212-A232 VanDerWaalsContact O-CB 3.3Å; G212-A232 WeakPolarHBondContact O-CB 3.19Å; W230-A232 PolarHBondContact O-N 2.93Å; W230-A232 VanDerWaalsContact O-N 3.14Å
233T89.8Confident92Very high48 Ų4858.7 Ų58.729%0.29431%0.314SS..THydrogen-bonded Turntrans-104.5-19.1177.761.10000112.7W230 H231 R252W230-T233 HydrophobicContact CD2-CG2 3.7Å; W230-T233 HydrophobicContact CE3-CG2 3.8Å; W230-T233 HydrophobicContact CG-CG2 4.29Å; W230-T233 HydrophobicContact CH2-CG2 4.05Å; W230-T233 HydrophobicContact CZ2-CG2 3.96Å; W230-T233 HydrophobicContact CZ3-CG2 3.98Å; W230-T233 PolarHBondContact O-N 3.34Å; W230-T233 VanDerWaalsContact O-N 3.08Å; W230-T233 PolarHBondContact O-OG1 3.18Å; H231-T233 VanDerWaalsContact C-N 3.34Å; H231-T233 PolarHBondContact O-N 2.04Å; T233-R252 PolarHBondContact O-NH1 3.42Å
234G90.2Very high92Very high34 Ų3457.6 Ų57.635%0.35131%0.312SS..THydrogen-bonded Turntrans81.514.4-179.600000114.4W230 R252W230-G234 PolarHBondContact O-N 3.48Å; G234-R252 WeakPolarHBondContact O-CA 3.36Å
235F93.1Very high91.9Very high73 Ų7360.2 Ų60.232%0.3233%0.331SS..EExtended strand (participates in β ladder)trans-98.5142.2175.9-71.1-87.5000111.7W230 T250 M251 R252W230-F235 PolarHBondContact N-O 2.88Å; F235-T250 HydrophobicContact CB-CG2 4.41Å; F235-T250 HydrophobicContact CD1-CG2 4.13Å; F235-M251 WeakPolarHBondContact CA-O 3.35Å; F235-R252 HydrophobicContact CD1-CG 3.92Å; F235-R252 HydrophobicContact CE1-CG 3.72Å; F235-R252 HydrophobicContact CE2-CG 4.46Å; F235-R252 HydrophobicContact CG-CG 4.38Å; F235-R252 HydrophobicContact CZ-CG 4.02Å
236C95.1Very high91.7Very high14 Ų1458.8 Ų58.810%0.09533%0.328CS..EExtended strand (participates in β ladder)trans-127.9156.3168.7-55.10000110.2Q228 C229 T250 M251 G253 P255Q228-C236 CarbonylContact O-C 3.53Å; Q228-C236 WeakPolarHBondContact O-CA 3.19Å; Q228-C236 VanDerWaalsContact O-CB 3.24Å; Q228-C236 WeakPolarHBondContact O-CB 3.41Å; C229-C236 HydrophobicContact CB-CB 4.08Å; C229-C236 WeakPolarHBondContact CB-SG 3.4Å; C229-C236 WeakPolarHBondContact SG-CB 3.16Å; C229-C236 CovalentContact SG-SG 2.04Å; C229-C236 PolarHBondContact SG-SG 2.81Å; C236-T250 WeakPolarHBondContact O-CA 3.01Å; C236-M251 PolarHBondContact N-O 3.08Å; C236-M251 PolarHBondContact O-N 3.06Å; C236-G253 VanDerWaalsContact CB-O 3.27Å; C236-G253 WeakPolarHBondContact CB-O 3.15Å; C236-G253 PolarHBondContact SG-O 3.39Å; C236-G253 VanDerWaalsContact SG-O 3.36Å; C236-P255 HydrophobicContact CB-CG 4.3Å
237W94.7Very high91.6Very high33 Ų3363.4 Ų63.413%0.12534%0.342CS..EExtended strand (participates in β ladder)trans-148.8165.217956.590.5000110Y214 M227 Q228 W230 P245 T250Y214-W237 AromaticContact CD2-CH2 3.75Å; Y214-W237 HydrophobicContact CD2-CH2 3.75Å; Y214-W237 HydrophobicContact CD2-CZ2 4.06Å; Y214-W237 HydrophobicContact CE1-CZ2 4.38Å; Y214-W237 AromaticContact CE2-CH2 3.58Å; Y214-W237 HydrophobicContact CE2-CH2 3.58Å; Y214-W237 AromaticContact CE2-CZ2 3.48Å; Y214-W237 HydrophobicContact CE2-CZ2 3.48Å; Y214-W237 VanDerWaalsContact CE2-CZ2 3.48Å; Y214-W237 HydrophobicContact CG-CH2 4.48Å; Y214-W237 AromaticContact CZ-CZ2 3.64Å; M227-W237 WeakPolarHBondContact CA-O 3.04Å; Q228-W237 HydrophobicContact CB-CZ2 4.24Å; Q228-W237 PolarHBondContact N-O 2.97Å; Q228-W237 PolarHBondContact O-N 2.89Å; W230-W237 HydrophobicContact CB-CH2 3.88Å; W230-W237 HydrophobicContact CB-CZ3 3.87Å; W237-P245 HydrophobicContact CG-CB 4.3Å; W237-T250 HydrophobicContact CE3-CG2 4.47Å
238C94.3Very high91.2Very high4 Ų464.8 Ų64.83%0.02737%0.37CS..EExtended strand (participates in β ladder)trans-89.8150.4170.7-55.70000110.7P226 P245 I246 T249 C257P226-C238 CarbonylContact O-C 3.53Å; P226-C238 WeakPolarHBondContact O-CA 3.33Å; C238-P245 WeakPolarHBondContact O-CA 3.48Å; C238-I246 HydrophobicContact CB-CB 4.36Å; C238-I246 HydrophobicContact CB-CD1 3.95Å; C238-I246 HydrophobicContact CB-CG1 4.4Å; C238-I246 PolarHBondContact O-N 2.95Å; C238-T249 HydrophobicContact CB-CG2 4.03Å; C238-T249 PolarHBondContact N-OG1 3.24Å; C238-C257 VanDerWaalsContact CA-SG 3.5Å; C238-C257 HydrophobicContact CB-CB 3.8Å; C238-C257 WeakPolarHBondContact CB-SG 3.3Å; C238-C257 WeakPolarHBondContact SG-CA 3.14Å; C238-C257 WeakPolarHBondContact SG-CB 3.05Å; C238-C257 CovalentContact SG-SG 2.04Å; C238-C257 PolarHBondContact SG-SG 2.96Å
239V93.7Very high91Very high10 Ų1066.2 Ų66.26%0.06138%0.379CS..BIsolated β-bridgetrans-127.2157.9177.4-64.60000112.9K225 P226 Q228 N244K225-V239 WeakPolarHBondContact O-CG2 3.45Å; P226-V239 PolarHBondContact O-N 2.94Å; Q228-V239 HydrophobicContact CB-CG1 4.24Å; Q228-V239 HydrophobicContact CG-CB 4.27Å; Q228-V239 HydrophobicContact CG-CG1 3.5Å; Q228-V239 HydrophobicContact CG-CG2 3.71Å; V239-N244 CarbonylContact C-O 3.47Å; V239-N244 WeakPolarHBondContact CA-O 3.4Å; V239-N244 WeakPolarHBondContact CB-O 3.38Å
240D90.4Very high90.8Very high66 Ų6669.1 Ų69.135%0.35340%0.396SS..  trans-77.6178.1166.773.913.3000112.7S242 G243 N244D240-S242 PolarHBondContact O-N 2.91Å; D240-S242 VanDerWaalsContact O-N 3.15Å; D240-S242 VanDerWaalsContact OD1-CA 3.28Å; D240-S242 WeakPolarHBondContact OD1-CA 3.49Å; D240-S242 WeakPolarHBondContact OD1-CB 3.41Å; D240-S242 PolarHBondContact OD1-N 3.24Å; D240-G243 PolarHBondContact O-N 2.91Å; D240-G243 PolarHBondContact OD1-N 3.33Å; D240-N244 PolarHBondContact N-O 2.8Å; D240-N244 PolarHBondContact OD1-N 2.76Å; D240-N244 PolarHBondContact OD1-ND2 2.93Å; D240-N244 WeakPolarHBondContact OD2-CB 3.48Å; D240-N244 PolarHBondContact OD2-ND2 2.68Å
241Q88.8Confident90.7Very high186 Ų18668.7 Ų68.787%0.86940%0.399SS*.THydrogen-bonded Turntrans-61.5-20.1178.4-63.7173.79.700113.7
242S87.4Confident90.7Very high68 Ų6869.6 Ų69.648%0.47640%0.396SS..THydrogen-bonded Turntrans-93.3-5178.5-63.30000113.2K199 Y224 D240K199-S242 PolarHBondContact NZ-O 2.82Å; Y224-S242 VanDerWaalsContact CE2-O 3.25Å; Y224-S242 WeakPolarHBondContact CE2-O 3.42Å; D240-S242 PolarHBondContact O-N 2.91Å; D240-S242 VanDerWaalsContact O-N 3.15Å; D240-S242 VanDerWaalsContact OD1-CA 3.28Å; D240-S242 WeakPolarHBondContact OD1-CA 3.49Å; D240-S242 WeakPolarHBondContact OD1-CB 3.41Å; D240-S242 PolarHBondContact OD1-N 3.24Å
243G90.1Very high90.6Very high15 Ų1568.2 Ų68.216%0.15539%0.388CS..SBendtrans91.67.6-178.800000114.9Y224 D240Y224-G243 VanDerWaalsContact CD2-CA 3.42Å; Y224-G243 VanDerWaalsContact CG-CA 3.48Å; D240-G243 PolarHBondContact O-N 2.91Å; D240-G243 PolarHBondContact OD1-N 3.33Å
244N91.4Very high90.4Very high82 Ų8275.8 Ų75.844%0.43941%0.411SS..PPolyproline II helixtrans-78.6136.9-178.9-52.7-58.6000111.1V239 D240V239-N244 CarbonylContact C-O 3.47Å; V239-N244 WeakPolarHBondContact CA-O 3.4Å; V239-N244 WeakPolarHBondContact CB-O 3.38Å; D240-N244 PolarHBondContact N-O 2.8Å; D240-N244 PolarHBondContact OD1-N 2.76Å; D240-N244 PolarHBondContact OD1-ND2 2.93Å; D240-N244 WeakPolarHBondContact OD2-CB 3.48Å; D240-N244 PolarHBondContact OD2-ND2 2.68Å
245P90.9Very high90.4Very high73 Ų7374.7 Ų74.747%0.47440%0.398SS..BIsolated β-bridgetrans-68133.1179.528-34.9000112.8W237 C238W237-P245 HydrophobicContact CG-CB 4.3Å; C238-P245 WeakPolarHBondContact O-CA 3.48Å
246I90.9Very high90.1Very high73 Ų7375.5 Ų75.537%0.37441%0.406SS..PPolyproline II helixtrans-79.3120.2174.2-57.5178.1000108.8C238 T249C238-I246 HydrophobicContact CB-CB 4.36Å; C238-I246 HydrophobicContact CB-CD1 3.95Å; C238-I246 HydrophobicContact CB-CG1 4.4Å; C238-I246 PolarHBondContact O-N 2.95Å; I246-T249 HydrophobicContact CB-CG2 3.91Å; I246-T249 HydrophobicContact CG2-CG2 3.78Å; I246-T249 WeakPolarHBondContact O-CB 3.37Å; I246-T249 PolarHBondContact O-N 3.36Å; I246-T249 PolarHBondContact O-OG1 2.91Å
247Q89.1Confident89.6Confident174 Ų17476.3 Ų76.381%0.81341%0.411SS*.THydrogen-bonded Turntrans-59138.5-177.2-61.9-66.33.900112.1T249Q247-T249 VanDerWaalsContact C-N 3.31Å; Q247-T249 PolarHBondContact O-N 2.04Å
248G85.9Confident88.9Confident81 Ų8181.9 Ų81.984%0.83544%0.444SS*.THydrogen-bonded Turntrans79.23-178.300000115.7
249T89.7Confident87.4Confident31 Ų3190.7 Ų90.719%0.1948%0.476CS..  trans-98.1-7.2176.868.30000114.3C238 I246 Q247 M251C238-T249 HydrophobicContact CB-CG2 4.03Å; C238-T249 PolarHBondContact N-OG1 3.24Å; I246-T249 HydrophobicContact CB-CG2 3.91Å; I246-T249 HydrophobicContact CG2-CG2 3.78Å; I246-T249 WeakPolarHBondContact O-CB 3.37Å; I246-T249 PolarHBondContact O-N 3.36Å; I246-T249 PolarHBondContact O-OG1 2.91Å; Q247-T249 VanDerWaalsContact C-N 3.31Å; Q247-T249 PolarHBondContact O-N 2.04Å; T249-M251 PolarHBondContact O-N 2.81Å
250T91.7Very high85.3Confident76 Ų7693 Ų9347%0.46650%0.502SS..  trans-73117.4-178.9-49.20000111.7F235 C236 W237F235-T250 HydrophobicContact CB-CG2 4.41Å; F235-T250 HydrophobicContact CD1-CG2 4.13Å; C236-T250 WeakPolarHBondContact O-CA 3.01Å; W237-T250 HydrophobicContact CE3-CG2 4.47Å
251M90.4Very high83.6Confident82 Ų8295.3 Ų95.340%0.40453%0.531SS..BIsolated β-bridgetrans-151.6162-179.261.2-172.9-123.800112.2F235 C236 T249 G253 R254 P255F235-M251 WeakPolarHBondContact CA-O 3.35Å; C236-M251 PolarHBondContact N-O 3.08Å; C236-M251 PolarHBondContact O-N 3.06Å; T249-M251 PolarHBondContact O-N 2.81Å; M251-G253 PolarHBondContact O-N 3.14Å; M251-R254 VanDerWaalsContact CE-C 3.44Å; M251-R254 WeakPolarHBondContact CE-O 3.27Å; M251-P255 HydrophobicContact CE-CB 4.32Å; M251-P255 HydrophobicContact CG-CB 4.29Å; M251-P255 HydrophobicContact SD-CB 3.99Å
252R89.5Confident81.9Confident172 Ų17288.9 Ų88.965%0.64951%0.514SS*.SBendtrans-81.3107.5166.9-67.4-177.5177.7-80.91.3108.4T233 G234 F235T233-R252 PolarHBondContact O-NH1 3.42Å; G234-R252 WeakPolarHBondContact O-CA 3.36Å; F235-R252 HydrophobicContact CD1-CG 3.92Å; F235-R252 HydrophobicContact CE1-CG 3.72Å; F235-R252 HydrophobicContact CE2-CG 4.46Å; F235-R252 HydrophobicContact CG-CG 4.38Å; F235-R252 HydrophobicContact CZ-CG 4.02Å
253G84.8Confident79.8Confident37 Ų3794.4 Ų94.438%0.38153%0.53SS..SBendtrans130.8-162.2-174.600000112.5C236 M251 P255C236-G253 VanDerWaalsContact CB-O 3.27Å; C236-G253 WeakPolarHBondContact CB-O 3.15Å; C236-G253 PolarHBondContact SG-O 3.39Å; C236-G253 VanDerWaalsContact SG-O 3.36Å; M251-G253 PolarHBondContact O-N 3.14Å; G253-P255 WeakPolarHBondContact O-CD 3.24Å
254R87.2Confident78Confident207 Ų207105 Ų10578%0.78157%0.565SS**  trans-105.3101.6-172.9-165.8-175.5179.1158.2-1.9111.6M227 M251M227-R254 HydrophobicContact CE-CG 4.02Å; M227-R254 HydrophobicContact SD-CB 4.41Å; M227-R254 HydrophobicContact SD-CG 3.4Å; M227-R254 WeakPolarHBondContact SD-CG 3.07Å; M251-R254 VanDerWaalsContact CE-C 3.44Å; M251-R254 WeakPolarHBondContact CE-O 3.27Å
255P88.8Confident75.8Confident12 Ų12112 Ų1128%0.07859%0.586CS.*  trans-70.8149.3-179.127.6-35.2000112.8M227 C236 M251 G253 C257M227-P255 HydrophobicContact CG-CG 3.99Å; M227-P255 HydrophobicContact SD-CG 4.3Å; C236-P255 HydrophobicContact CB-CG 4.3Å; M251-P255 HydrophobicContact CE-CB 4.32Å; M251-P255 HydrophobicContact CG-CB 4.29Å; M251-P255 HydrophobicContact SD-CB 3.99Å; G253-P255 WeakPolarHBondContact O-CD 3.24Å; P255-C257 PolarHBondContact O-N 3.48Å
256D87.1Confident73.7Confident90 Ų90116.1 Ų116.148%0.48160%0.6SS.*  trans-8389174.9179.37.5000110.4N258 R259D256-N258 VanDerWaalsContact C-N 3.29Å; D256-N258 PolarHBondContact O-N 3.29Å; D256-N258 PolarHBondContact OD1-N 2.91Å; D256-R259 WeakPolarHBondContact OD2-CD 3.46Å; D256-R259 WeakPolarHBondContact OD2-CG 3.2Å; D256-R259 IonicContact OD2-CZ 3.23Å; D256-R259 IonicContact OD2-NE 3.74Å; D256-R259 PolarHBondContact OD2-NE 3.48Å
257C85.5Confident71.7Confident31 Ų31121.3 Ų121.321%0.20963%0.625CS.*THydrogen-bonded Turntrans-83.41.3179.6-50.90000114.1P226 C238 P255P226-C257 HydrophobicContact CB-CB 4.08Å; P226-C257 PolarHBondContact O-SG 2.79Å; C238-C257 VanDerWaalsContact CA-SG 3.5Å; C238-C257 HydrophobicContact CB-CB 3.8Å; C238-C257 WeakPolarHBondContact CB-SG 3.3Å; C238-C257 WeakPolarHBondContact SG-CA 3.14Å; C238-C257 WeakPolarHBondContact SG-CB 3.05Å; C238-C257 CovalentContact SG-SG 2.04Å; C238-C257 PolarHBondContact SG-SG 2.96Å; P255-C257 PolarHBondContact O-N 3.48Å
258N79.6Confident69.8Low150 Ų150118.8 Ų118.880%0.80262%0.621SS**THydrogen-bonded Turntrans-86.7-18.6178.2-75.7-9000112.7D256 G260D256-N258 VanDerWaalsContact C-N 3.29Å; D256-N258 PolarHBondContact O-N 3.29Å; D256-N258 PolarHBondContact OD1-N 2.91Å; N258-G260 VanDerWaalsContact C-N 3.25Å; N258-G260 PolarHBondContact O-N 3.39Å
259R62.7Low67.7Low189 Ų189119.1 Ų119.171%0.71362%0.616SS**SBendtrans-74.180.9166.8-69.8-179.1-163.4-131.9-3.8109.9D256 A261D256-R259 WeakPolarHBondContact OD2-CD 3.46Å; D256-R259 WeakPolarHBondContact OD2-CG 3.2Å; D256-R259 IonicContact OD2-CZ 3.23Å; D256-R259 IonicContact OD2-NE 3.74Å; D256-R259 PolarHBondContact OD2-NE 3.48Å; R259-A261 PolarHBondContact O-N 2.89Å
260G50.1Low65.3Low59 Ų59123 Ų12361%0.60864%0.642SS**  trans-53.1128.9-177.300000113.1N258 G262N258-G260 VanDerWaalsContact C-N 3.25Å; N258-G260 PolarHBondContact O-N 3.39Å; G260-G262 VanDerWaalsContact O-CA 3.31Å; G260-G262 WeakPolarHBondContact O-CA 3.46Å; G260-G262 PolarHBondContact O-N 3.43Å
261A53.5Low63.4Low114 Ų114130.8 Ų130.894%0.94266%0.663SS**SBendtrans4315.4152.400000120R259R259-A261 PolarHBondContact O-N 2.89Å
262G52.7Low61.4Low51 Ų51134.9 Ų134.953%0.52668%0.683SS.*  trans-153.927.2-147.800000117.5G260G260-G262 VanDerWaalsContact O-CA 3.31Å; G260-G262 WeakPolarHBondContact O-CA 3.46Å; G260-G262 PolarHBondContact O-N 3.43Å
263F44.8Very low59.4Low183 Ų183135.4 Ų135.480%0.80370%0.695SS**  trans-134.3100.7159.4-88.2-73.8000113R265F263-R265 VanDerWaalsContact C-N 3.3Å; F263-R265 PolarHBondContact O-N 2.79Å
264R51.6Low57.4Low237 Ų237142.3 Ų142.389%0.89472%0.717SS**  trans-62.188.6158.9-69.8-178.4173-154-0.1109.5
265R46.2Very low55.3Low231 Ų231141.1 Ų141.187%0.87272%0.718SS**  trans-93.792.4148.5-85.1-169.4172.9-175.2-1.9107.9F263 M267F263-R265 VanDerWaalsContact C-N 3.3Å; F263-R265 PolarHBondContact O-N 2.79Å; R265-M267 VanDerWaalsContact C-N 3.27Å; R265-M267 PolarHBondContact O-N 2.9Å
266M46Very low53.2Low158 Ų158147.3 Ų147.378%0.77876%0.755SS**  trans-65.287.8171.4-178.7-178.8-8300108.8V268M266-V268 HydrophobicContact CG-CG2 3.94Å; M266-V268 HydrophobicContact SD-CG2 4.44Å
267M48Very low51.2Low183 Ų183152.6 Ų152.690%0.90178%0.775SS**  trans-85.8117.8159.7-70.3-97.9-99.900106.5R265R265-M267 VanDerWaalsContact C-N 3.27Å; R265-M267 PolarHBondContact O-N 2.9Å
268V49.8Very low49.3Very low120 Ų120158.8 Ų158.873%0.72781%0.805SS**  trans-83.8139.5-172.7171.50000110.7M266M266-V268 HydrophobicContact CG-CG2 3.94Å; M266-V268 HydrophobicContact SD-CG2 4.44Å
269A41.2Very low47.6Very low89 Ų89160.4 Ų160.474%0.73681%0.807SS**  trans73.7157.8164.300000118.5
270P40.7Very low46.5Very low112 Ų112160 Ų16073%0.72781%0.813SS**  cis-110.2162.2-1.437.9-27.4000115.1M272P270-M272 PolarHBondContact O-N 3.28Å
271R50.9Low46.1Very low240 Ų240164.4 Ų164.491%0.90682%0.818SS**  trans-67.3109.4168.1-81.3177.7158.2-159.7-3.2110.6
272M48.6Very low45.5Very low167 Ų167163 Ų16382%0.82382%0.816SS**  trans-158133.8153.7-58-63.3168.200106.4P270P270-M272 PolarHBondContact O-N 3.28Å
273M47.3Very low45Very low183 Ų183169 Ų16990%0.90183%0.827SS**  cis-127.4153.8-8.5-66.6-176.8120.100109.3
274Q44.1Very low45Very low182 Ų182166.7 Ų166.785%0.8583%0.827SS**  trans-115.4141.2164-173.2167.413.400108.3
275K42.4Very low44.5Very low183 Ų183166.3 Ų166.380%0.79684%0.843SS**  trans65.9112.9-177.2-64.4180174.5-174.60116.7
276T44Very low44.4Very low141 Ų141163.1 Ų163.187%0.86584%0.842SS**  -145.273.4120.9270000108.2
277F45.9Very low44.3Very low202 Ų202163.3 Ų163.389%0.88685%0.845SS**  trans-108.2137.6150.1-88.9-83.5000106.1
278L44.4Very low44.1Very low160 Ų160162.2 Ų162.284%0.83884%0.842SS**SBendtrans85.7141.2-171.2-51.5177.7000115.5
279E44.4Very low43.8Very low184 Ų184164.7 Ų164.786%0.8685%0.849SS**  trans72.784.1170.9-62.5175.7142.600117.6
280E40.1Very low43.9Very low180 Ų180169.4 Ų169.484%0.84186%0.856SS**  -139.893.4129.5-82.5-67.6132.500104.7
281E42.3Very low44.1Very low152 Ų152173.3 Ų173.371%0.7186%0.864SS**  85.982.797.5-82.1-68.897.700112.8
282G39.5Very low43.7Very low86 Ų86168.5 Ų168.589%0.88786%0.861SS**  trans-108.774.4164.600000110.4
283K42Very low43.3Very low177 Ų177168.6 Ų168.677%0.7786%0.864SS**  trans-142104.8167.7-156.3166.7-171.71750112.7
284V45.8Very low42.9Very low133 Ų133167.4 Ų167.481%0.80686%0.861SS**  trans-66.4134.4166.2169.10000109.7
285N40.5Very low42.8Very low229 Ų229166.1 Ų166.1100%1.22586%0.862SS**  trans-154.30142.8-100.2-5.5000108

Retrieved 285 of 285 residues in 64.6 ms (Link to these results)