A0A096NN88_PAPAN Loading...

Mesoderm posterior bHLH transcription factor 2

AlphaFold DB , UniProt , Accession A0A096NN88, Species PAPAN (Papio anubis, Olive baboon), Gene MESP2, Length 373 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M40.7Very low44.3Very low250 Ų250145 Ų145100%1.23283%0.829SS**  01220-82.8173.3158.100107.8
2A45.8Very low44.2Very low88 Ų88137.8 Ų137.873%0.72781%0.81SS**  trans-72157.7-17900000111.7
3Q43.5Very low43.5Very low201 Ų201139.2 Ų139.294%0.93980%0.803SS**  trans-157.9101138.9-105.9167.551.200109.1
4S47.7Very low43Very low107 Ų107137.5 Ų137.575%0.74879%0.79SS**PPolyproline II helixtrans-72149.5167-54.40000110.1
5P58.2Low42.6Very low118 Ų118139.3 Ų139.377%0.76679%0.788SS**PPolyproline II helixtrans-71.5150.7170.329.6-32.4000111.1
6P49.8Very low43Very low114 Ų114142 Ų14274%0.7478%0.782SS**PPolyproline II helixtrans-75.2151.4-172.231-34.6000112.4
7P42.7Very low42.9Very low122 Ų122140.2 Ų140.279%0.79277%0.77SS**PPolyproline II helixtrans-71.1130.9173.529.3-32.3000110.1S9P7-S9 PolarHBondContact O-N 3.33Å; P7-S9 VanDerWaalsContact O-N 3.07Å
8Q42.3Very low42.3Very low196 Ų196142.2 Ų142.292%0.91677%0.77SS**  trans-67109.2167.6-66.4-152.9-0.400108.7L10Q8-L10 PolarHBondContact O-N 3.07Å; Q8-L10 VanDerWaalsContact O-N 3.08Å
9S36.8Very low42.2Very low95 Ų95139.5 Ų139.566%0.66477%0.768SS**  trans-59.3106.1173.6178.40000109.8P7 L11P7-S9 PolarHBondContact O-N 3.33Å; P7-S9 VanDerWaalsContact O-N 3.07Å; S9-L11 PolarHBondContact O-N 3.39Å
10L39.7Very low41.9Very low178 Ų178141.5 Ų141.593%0.93277%0.772SS**  trans-6082153-90.8157.4000108Q8 G12Q8-L10 PolarHBondContact O-N 3.07Å; Q8-L10 VanDerWaalsContact O-N 3.08Å; L10-G12 PolarHBondContact O-N 3.11Å
11L40.6Very low41.5Very low126 Ų126137.7 Ų137.766%0.6677%0.766SS**  trans-91.199.5168-160.470.3000107.8S9 H13S9-L11 PolarHBondContact O-N 3.39Å; L11-H13 PolarHBondContact O-N 2.87Å; L11-H13 PolarHBondContact O-ND1 3.48Å
12G43.2Very low41.6Very low58 Ų58137.7 Ų137.760%0.59875%0.752SS**  trans-52.6127.2173.600000111.3L10L10-G12 PolarHBondContact O-N 3.11Å
13H34.8Very low41.2Very low157 Ų157136.2 Ų136.273%0.72775%0.746SS**  trans-115.880.6156.4-69.792.1000106.5L11 H15L11-H13 PolarHBondContact O-N 2.87Å; L11-H13 PolarHBondContact O-ND1 3.48Å; H13-H15 PolarHBondContact O-N 3.41Å
14D36.7Very low41.2Very low115 Ų115137.4 Ų137.462%0.61574%0.742SS**  trans-63.677.1163.9-72.3-59.1000109W16D14-W16 PolarHBondContact O-N 3.08Å; D14-W16 VanDerWaalsContact OD1-CD1 3.24Å; D14-W16 PolarHBondContact OD1-NE1 3.42Å
15H37.4Very low40.7Very low165 Ų165135.8 Ų135.876%0.76474%0.735SS**G310 helixtrans-77.20.1172.875.1-86.7000112.3H13 I17H13-H15 PolarHBondContact O-N 3.41Å; H15-I17 PolarHBondContact O-N 3.38Å
16W48.9Very low40.2Very low182 Ų182134 Ų13469%0.68974%0.738SS**G310 helixtrans-82.8-7.2-169.766.5-92.7000114.5D14D14-W16 PolarHBondContact O-N 3.08Å; D14-W16 VanDerWaalsContact OD1-CD1 3.24Å; D14-W16 PolarHBondContact OD1-NE1 3.42Å
17I41.4Very low39.5Very low112 Ų112135.8 Ų135.857%0.57474%0.736SS**G310 helixtrans-85.6-8.6-178.1-64.1179.1000113.1H15H15-I17 PolarHBondContact O-N 3.38Å
18F31.6Very low39.8Very low176 Ų176135.3 Ų135.377%0.77274%0.736SS**  trans-11575.3171.9-65.4-77.2000110.9Q20F18-Q20 HydrophobicContact CB-CG 4.38Å; F18-Q20 PolarHBondContact O-N 3.02Å
19A39.7Very low39.5Very low90 Ų90132.9 Ų132.974%0.74473%0.729SS**  trans-61.582.9146.100000106.9G21A19-G21 PolarHBondContact O-N 3.42Å; A19-G21 VanDerWaalsContact O-N 3.08Å
20Q36.9Very low40Very low179 Ų179133.8 Ų133.884%0.83674%0.735SS**  trans-54.6117171.7-73.5-153.160.200108F18F18-Q20 HydrophobicContact CB-CG 4.38Å; F18-Q20 PolarHBondContact O-N 3.02Å
21G33.7Very low40.2Very low63 Ų63131.7 Ų131.765%0.64973%0.73SS**  trans69.9108.5159.600000114.1A19 G23A19-G21 PolarHBondContact O-N 3.42Å; A19-G21 VanDerWaalsContact O-N 3.08Å; G21-G23 PolarHBondContact O-N 3.18Å
22W43.3Very low40.2Very low249 Ų249131.3 Ų131.394%0.94374%0.738SS**  trans-65.161.9138.7-65.964.4000107.9
23G36.3Very low40.4Very low57 Ų57134.6 Ų134.659%0.58875%0.748SS**  trans-91.7103.1-17700000107G21 A25G21-G23 PolarHBondContact O-N 3.18Å; G23-A25 PolarHBondContact O-N 3.48Å
24W44.3Very low41Very low226 Ų226132.3 Ų132.386%0.85676%0.757SS**  trans-64.874.1160.8-62.787.9000108.4G26W24-G26 PolarHBondContact O-N 3.39Å
25A37.5Very low41.1Very low73 Ų73132.3 Ų132.360%0.60377%0.766SS**  trans-83.588.716700000106.7G23 H27G23-A25 PolarHBondContact O-N 3.48Å; A25-H27 PolarHBondContact O-CE1 2.76Å; A25-H27 PolarHBondContact O-N 3.3Å; A25-H27 PolarHBondContact O-ND1 3.35Å
26G46.1Very low41.2Very low80 Ų80129.2 Ų129.283%0.82576%0.763SS**  trans-60106.3166.200000109.4W24W24-G26 PolarHBondContact O-N 3.39Å
27H36.4Very low41.1Very low153 Ų153126.4 Ų126.471%0.70877%0.771SS**  trans-103102.9162.535.9-77.6000107A25 D29A25-H27 PolarHBondContact O-CE1 2.76Å; A25-H27 PolarHBondContact O-N 3.3Å; A25-H27 PolarHBondContact O-ND1 3.35Å; H27-D29 PolarHBondContact O-N 2.82Å
28S49Very low41.2Very low112 Ų112127.2 Ų127.278%0.78378%0.777SS**  trans-76.296.5163.3-680000107.9
29D36.1Very low41.6Very low145 Ų145124.7 Ų124.778%0.77578%0.781SS**  trans-11198.5161.2-72-40.4000108.7H27 T31H27-D29 PolarHBondContact O-N 2.82Å; D29-T31 PolarHBondContact O-N 3.22Å
30S46.3Very low42.1Very low114 Ų114126.3 Ų126.380%0.79779%0.787SS**  trans-76.9107.8170.9-65.40000109.8
31T43.9Very low42Very low134 Ų134121.2 Ų121.282%0.82278%0.782SS**  trans-14795.4149.650.50000108.6D29D29-T31 PolarHBondContact O-N 3.22Å
32S40.3Very low42.4Very low118 Ų118123.7 Ų123.783%0.82579%0.789SS**  trans-105.6133.9161.2-630000108.2
33P48.6Very low42.4Very low126 Ų126117.6 Ų117.682%0.81878%0.784SS**  trans-72.9148.9171.931.7-31000109.6
34A46.4Very low42.9Very low110 Ų110120.6 Ų120.691%0.90979%0.793SS**  trans-54.3132.6-179.100000112.4
35S39.8Very low42.6Very low115 Ų115115 Ų11580%0.80479%0.787SS**  trans-113.9120.9163.8-1620000108.5
36S38.6Very low42.8Very low100 Ų100119.5 Ų119.570%0.69980%0.801SS**  trans-57.4141.6177.840.90000112.2
37S47.5Very low42.3Very low122 Ų122119.4 Ų119.485%0.85380%0.8SS**  trans-98.999.1176.9-76.50000109.6
38D43.9Very low42.3Very low130 Ų130117 Ų11770%0.69581%0.807SS**  trans-137.1125.9175-49.927.1000108.7
39S38.8Very low41.9Very low123 Ų123123.9 Ų123.986%0.8682%0.815SS**  trans104.3100.5157.7-53.80000118.1
40S51.3Low41.6Very low124 Ų124120.7 Ų120.787%0.86782%0.816SS**  trans-46.2129.3165.2-46.50000114.3
41G35Very low41.3Very low72 Ų72122.5 Ų122.574%0.74282%0.816SS**  trans-114.9100160.400000109.2
42S42.2Very low41.3Very low115 Ų115122 Ų12280%0.80482%0.816SS**  trans-73.5120.2171.6-53.50000109.2
43C41.9Very low41.4Very low121 Ų121123.1 Ų123.182%0.81881%0.808SS**  trans-94.3119.8168.4-63.80000109.3
44P47.8Very low41Very low120 Ų120123 Ų12378%0.77981%0.807SS**  trans-98.4107171.333.6-22.6000109.1
45C37Very low40.7Very low109 Ų109121.4 Ų121.474%0.73679%0.794SS**  trans-144.1104164-52.50000108.6
46D41.5Very low41.1Very low167 Ų167121.8 Ų121.889%0.89379%0.793SS**  -168.4115.9119.8-90.9-26.8000111.9
47G35.8Very low40.9Very low78 Ų78122.1 Ų122.180%0.80480%0.803SS**  63.893.8120.400000118.5
48A37.4Very low40.1Very low103 Ų103120.1 Ų120.185%0.85180%0.801SS**  trans-53.1132.4164.700000114
49R39.7Very low39.5Very low255 Ų255120.3 Ų120.396%0.96281%0.811SS**  trans-163.7118.9134.3-109.4-171.4-162.4-125.65.3111.3
50G30.7Very low39.3Very low78 Ų78119.5 Ų119.580%0.80481%0.805SS**  trans9890.2148.200000117.5
51L38.5Very low38.5Very low152 Ų152119 Ų11980%0.79680%0.802SS**  trans-101.9147.1140.7-129.479.5000106.7Q53L51-Q53 HydrophobicContact CD2-CG 4.28Å
52P44.3Very low38.6Very low125 Ų125127.2 Ų127.281%0.81281%0.811SS**  -133.1150.165.426.1-5.7000115.4
53Q41.8Very low38.2Very low141 Ų141126.3 Ų126.366%0.65981%0.81SS**  trans-42.4153.5157.6-80.7-80.7-21.600112.5L51L51-Q53 HydrophobicContact CD2-CG 4.28Å
54P40.9Very low38Very low124 Ų124124.9 Ų124.981%0.80581%0.807SS**  -143.6150.862.334.8-13.9000117.5
55A39.5Very low37.4Very low75 Ų75128 Ų12862%0.6281%0.811SS**  trans-68.1172.1158.800000111.2
56P49.2Very low37.7Very low123 Ų123126.8 Ų126.880%0.79981%0.809SS**  cis-144.6-173.520.440.9-19.1000116.8
57A34.7Very low37.9Very low108 Ų108124.5 Ų124.589%0.89380%0.803SS**  trans104.4122.7158.300000117.2
58G31Very low38.4Very low80 Ų80125.3 Ų125.383%0.82580%0.802SS**  trans15873.816900000113.9
59C31.4Very low38.9Very low133 Ų133126.9 Ų126.990%0.89980%0.802SS**  trans-64.8158.6169.7-172.70000112
60S33.2Very low39.6Very low106 Ų106120.2 Ų120.274%0.74179%0.789SS**  trans98.8108156.6-155.40000117.5
61S35.5Very low40.5Very low115 Ų115122.5 Ų122.580%0.80479%0.79SS**  171.1147.183.547.40000110.9
62R36.6Very low41Very low243 Ų243125.4 Ų125.492%0.91779%0.79SS**  trans-75.9158.5-176.7-69.9167.1140.2176.1-6.1112.4
63A33.6Very low41.3Very low96 Ų96130.5 Ų130.579%0.79379%0.793SS**  120.8142.912000000117.7
64A38.3Very low41.9Very low92 Ų92127.9 Ų127.976%0.7680%0.796SS**  trans81.2100.8160.100000116.3
65E36Very low42.5Very low185 Ų185132.8 Ų132.886%0.86480%0.798SS**  77.5104.685.7-88.6-109.5104.100113.2
66A42.4Very low43.2Very low84 Ų84134.9 Ų134.969%0.69481%0.808SS**  trans34.1148.6133.500000120.9
67P46Very low43.4Very low118 Ų118131.3 Ų131.377%0.76679%0.794SS**  cis-138.9160.835.934.9-13.7000117.4T69P67-T69 PolarHBondContact O-N 3.37Å
68A47Very low44.3Very low95 Ų95133.1 Ų133.179%0.78580%0.797SS**  trans-51114.5170.600000112.3T70A68-T70 PolarHBondContact O-N 2.79Å
69T46Very low45.5Very low136 Ų136134 Ų13483%0.83480%0.796SS**  trans-82.195.5159.349.20000107.4P67P67-T69 PolarHBondContact O-N 3.37Å
70T56.1Low46.2Very low115 Ų115130.8 Ų130.871%0.70679%0.785SS**  trans-48.2128.4168.752.90000109.7A68 R72A68-T70 PolarHBondContact O-N 2.79Å; T70-R72 VanDerWaalsContact C-N 3.33Å; T70-R72 PolarHBondContact O-N 3.45Å
71P48.6Very low47.5Very low126 Ų126128.9 Ų128.982%0.81878%0.782SS**  trans-66.6102.7165.226.9-30000106.4R73P71-R73 PolarHBondContact O-N 3.23Å
72R49.9Very low49.1Very low213 Ų213131.6 Ų131.680%0.80478%0.782SS**  trans-49.9102173.3175.4174.9155.9-175.7-5.2107.5T70 A74T70-R72 VanDerWaalsContact C-N 3.33Å; T70-R72 PolarHBondContact O-N 3.45Å; R72-A74 PolarHBondContact O-N 3.26Å
73R50.8Low51Low232 Ų232131.2 Ų131.288%0.87578%0.781SS**  trans-43.6102.4170.4-167.1177-131.5-127.51.8107.4P71 R75P71-R73 PolarHBondContact O-N 3.23Å; R73-R75 PolarHBondContact O-N 3.26Å
74A53.1Low53.4Low86 Ų86130.1 Ų130.171%0.71176%0.759SS**  trans-56.7115.9172.900000105.8R72 S76R72-A74 PolarHBondContact O-N 3.26Å; A74-S76 VanDerWaalsContact C-N 3.34Å; A74-S76 PolarHBondContact O-N 3.08Å
75R53.8Low56Low227 Ų227128.3 Ų128.386%0.85774%0.741SS**  trans-56.6101.7173-86.7175.5-95.3-167.3-6.9106.8R73 G77R73-R75 PolarHBondContact O-N 3.26Å; R75-G77 VanDerWaalsContact C-N 3.27Å; R75-G77 PolarHBondContact O-N 3.34Å
76S55.3Low58.8Low119 Ų119123.6 Ų123.683%0.83273%0.734SS**  trans-63.494.5162.947.10000106.6A74A74-S76 VanDerWaalsContact C-N 3.34Å; A74-S76 PolarHBondContact O-N 3.08Å
77G52.3Low61.3Low48 Ų48123.8 Ų123.850%0.49573%0.73SS.*  trans-60.3151.6171.600000110.4R75 A79R75-G77 VanDerWaalsContact C-N 3.27Å; R75-G77 PolarHBondContact O-N 3.34Å; G77-A79 PolarHBondContact O-N 2.94Å
78P53.9Low63.7Low147 Ų147121.9 Ų121.996%0.95571%0.711SS**THydrogen-bonded Turntrans-75.419.5-173.832.5-35.3000114
79A55.3Low66Low98 Ų98124.7 Ų124.781%0.8170%0.701SS**THydrogen-bonded Turntrans-121.423.3-177.500000112.6G77 G81G77-A79 PolarHBondContact O-N 2.94Å; A79-G81 PolarHBondContact O-N 2.85Å
80G47.1Very low68.5Low65 Ų65122 Ų12267%0.6768%0.679SS**  trans-85.183.817100000109.7Q82G80-Q82 PolarHBondContact O-N 3.13Å
81G59.7Low70.5Confident66 Ų66123.2 Ų123.268%0.6868%0.675SS**  trans-49.1113.216300000107.6A79 R83A79-G81 PolarHBondContact O-N 2.85Å; G81-R83 PolarHBondContact O-N 3.47Å
82Q69.4Low72.8Confident172 Ų172120.4 Ų120.480%0.80465%0.653SS**  trans-58.3103.6-171.6-166.9157.911.700107G80 Q84G80-Q82 PolarHBondContact O-N 3.13Å; Q82-Q84 PolarHBondContact O-N 3.03Å
83R77Confident75.1Confident236 Ų236117 Ų11789%0.89164%0.64SS**  trans-65.692.6177.3-74.9-178.4178.1-115.60.7105.7G81 S85G81-R83 PolarHBondContact O-N 3.47Å; R83-S85 PolarHBondContact O-N 3.36Å
84Q83.3Confident77.3Confident72 Ų72109.5 Ų109.534%0.33662%0.616SS.*  trans-52.2128174.7-67.8-179.7-9.500107.9Q82 E88 R89Q82-Q84 PolarHBondContact O-N 3.03Å; Q84-E88 WeakPolarHBondContact CA-OE2 3.24Å; Q84-E88 HydrophobicContact CB-CB 4.35Å; Q84-E88 HydrophobicContact CB-CG 4.35Å; Q84-E88 WeakPolarHBondContact CB-OE2 3.4Å; Q84-E88 HydrophobicContact CG-CG 4.41Å; Q84-R89 HydrophobicContact CB-CG 3.9Å; Q84-R89 PolarHBondContact O-NE 2.99Å
85S92.7Very high79.5Confident54 Ų54113 Ų11338%0.37861%0.61SS.*  trans-59.8158.4175.767.80000109.6R83 S87 E88 R89R83-S85 PolarHBondContact O-N 3.36Å; S85-S87 PolarHBondContact O-N 3.38Å; S85-S87 PolarHBondContact OG-OG 2.95Å; S85-E88 PolarHBondContact O-N 2.88Å; S85-E88 VanDerWaalsContact O-N 3.16Å; S85-E88 WeakPolarHBondContact OG-CB 3.38Å; S85-E88 PolarHBondContact OG-N 3.36Å; S85-E88 VanDerWaalsContact OG-N 3.08Å; S85-R89 WeakPolarHBondContact O-CG 3.39Å; S85-R89 PolarHBondContact O-N 3.42Å; S85-R89 VanDerWaalsContact O-N 3.1Å
86A94.7Very high81.6Confident86 Ų86105.6 Ų105.671%0.71159%0.591SS**Hα-helixtrans-55.2-37173.400000111.8R89 E90A86-R89 PolarHBondContact O-N 2.93Å; A86-E90 PolarHBondContact O-N 3.27Å
87S95.3Very high83.6Confident89 Ų89104.5 Ų104.562%0.62258%0.575SS**Hα-helixtrans-67.3-38.3177.756.50000113.5S85 E90 K91S85-S87 PolarHBondContact O-N 3.38Å; S85-S87 PolarHBondContact OG-OG 2.95Å; S87-E90 PolarHBondContact O-N 3.21Å; S87-K91 PolarHBondContact O-N 3.31Å
88E96.6Very high85.8Confident77 Ų77104.9 Ų104.936%0.3657%0.573SS.*Hα-helixtrans-66.4-42.3176.2-174.9-178.9-179.900111.4Q84 S85 E90 K91 L92Q84-E88 WeakPolarHBondContact CA-OE2 3.24Å; Q84-E88 HydrophobicContact CB-CB 4.35Å; Q84-E88 HydrophobicContact CB-CG 4.35Å; Q84-E88 WeakPolarHBondContact CB-OE2 3.4Å; Q84-E88 HydrophobicContact CG-CG 4.41Å; S85-E88 PolarHBondContact O-N 2.88Å; S85-E88 VanDerWaalsContact O-N 3.16Å; S85-E88 WeakPolarHBondContact OG-CB 3.38Å; S85-E88 PolarHBondContact OG-N 3.36Å; S85-E88 VanDerWaalsContact OG-N 3.08Å; E88-E90 PolarHBondContact O-N 3.27Å; E88-K91 WeakPolarHBondContact O-CB 3.38Å; E88-K91 PolarHBondContact O-N 3.49Å; E88-L92 WeakPolarHBondContact O-CG 3.36Å; E88-L92 PolarHBondContact O-N 3.25Å
89R96.4Very high87.8Confident154 Ų154101.6 Ų101.658%0.58155%0.554SS**Hα-helixtrans-60.5-44.4175.3-67.5174.3-178.4-115.4-2111.7Q84 S85 A86 K91 L92 R93Q84-R89 HydrophobicContact CB-CG 3.9Å; Q84-R89 PolarHBondContact O-NE 2.99Å; S85-R89 WeakPolarHBondContact O-CG 3.39Å; S85-R89 PolarHBondContact O-N 3.42Å; S85-R89 VanDerWaalsContact O-N 3.1Å; A86-R89 PolarHBondContact O-N 2.93Å; R89-K91 VanDerWaalsContact C-N 3.34Å; R89-K91 PolarHBondContact O-N 2.96Å; R89-L92 PolarHBondContact O-N 3.2Å; R89-R93 PolarHBondContact O-N 3.35Å
90E97.4Very high89.9Confident80 Ų8099.8 Ų99.837%0.37454%0.539SS..Hα-helixtrans-66.1-37.1177.6-177.858.6-166.400112A86 S87 E88 L92 R93 M94A86-E90 PolarHBondContact O-N 3.27Å; S87-E90 PolarHBondContact O-N 3.21Å; E88-E90 PolarHBondContact O-N 3.27Å; E90-L92 PolarHBondContact O-N 2.82Å; E90-R93 WeakPolarHBondContact O-CB 3.13Å; E90-R93 PolarHBondContact O-N 3.41Å; E90-R93 IonicContact OE1-CZ 3.95Å; E90-R93 IonicContact OE1-NH1 2.78Å; E90-R93 PolarHBondContact OE1-NH1 2.88Å; E90-R93 WeakPolarHBondContact OE2-CD 3.35Å; E90-R93 IonicContact OE2-CZ 3.85Å; E90-R93 IonicContact OE2-NH1 2.88Å; E90-R93 PolarHBondContact OE2-NH1 3.47Å; E90-M94 WeakPolarHBondContact O-CG 3.42Å; E90-M94 PolarHBondContact O-N 2.94Å; E90-M94 WeakPolarHBondContact OE1-CE 3.39Å
91K97.4Very high92.2Very high141 Ų14198.1 Ų98.161%0.61352%0.515SS*.Hα-helixtrans-59.6-45.4172.1-176.7179.5-179.71790111.4S87 E88 R89 M94 R95S87-K91 PolarHBondContact O-N 3.31Å; E88-K91 WeakPolarHBondContact O-CB 3.38Å; E88-K91 PolarHBondContact O-N 3.49Å; R89-K91 VanDerWaalsContact C-N 3.34Å; R89-K91 PolarHBondContact O-N 2.96Å; K91-M94 PolarHBondContact O-N 3.24Å; K91-R95 VanDerWaalsContact O-CG 3.31Å; K91-R95 WeakPolarHBondContact O-CG 3.32Å; K91-R95 PolarHBondContact O-N 3.39Å
92L97.1Very high93.8Very high67 Ų67101 Ų10135%0.35151%0.51SS..Hα-helixtrans-64.2-39.5175.9-69.1174.7000111.9E88 R89 E90 R95 T96E88-L92 WeakPolarHBondContact O-CG 3.36Å; E88-L92 PolarHBondContact O-N 3.25Å; R89-L92 PolarHBondContact O-N 3.2Å; E90-L92 PolarHBondContact O-N 2.82Å; L92-R95 PolarHBondContact O-N 2.75Å; L92-T96 PolarHBondContact O-N 3.44Å; L92-T96 PolarHBondContact O-OG1 2.76Å
93R98Very high95.1Very high141 Ų14197.2 Ų97.253%0.53249%0.492SS..Hα-helixtrans-59.2-48.3173.3179173.9162.8-107.4-1.4111.4R89 E90 R95 T96 L97R89-R93 PolarHBondContact O-N 3.35Å; E90-R93 WeakPolarHBondContact O-CB 3.13Å; E90-R93 PolarHBondContact O-N 3.41Å; E90-R93 IonicContact OE1-CZ 3.95Å; E90-R93 IonicContact OE1-NH1 2.78Å; E90-R93 PolarHBondContact OE1-NH1 2.88Å; E90-R93 WeakPolarHBondContact OE2-CD 3.35Å; E90-R93 IonicContact OE2-CZ 3.85Å; E90-R93 IonicContact OE2-NH1 2.88Å; E90-R93 PolarHBondContact OE2-NH1 3.47Å; R93-R95 PolarHBondContact O-N 3.37Å; R93-T96 WeakPolarHBondContact O-CB 3.33Å; R93-T96 PolarHBondContact O-N 2.87Å; R93-L97 WeakPolarHBondContact O-CG 3.49Å; R93-L97 PolarHBondContact O-N 2.74Å
94M98.6Very high96Very high75 Ų7588.6 Ų88.637%0.36946%0.464SS..Hα-helixtrans-64.6-38.4177.9-73.7-60.2103.600113.2E90 K91 T96 L97 A98E90-M94 WeakPolarHBondContact O-CG 3.42Å; E90-M94 PolarHBondContact O-N 2.94Å; E90-M94 WeakPolarHBondContact OE1-CE 3.39Å; K91-M94 PolarHBondContact O-N 3.24Å; M94-T96 VanDerWaalsContact C-N 3.34Å; M94-L97 HydrophobicContact CE-CD1 3.32Å; M94-L97 HydrophobicContact CE-CG 4.31Å; M94-L97 PolarHBondContact O-N 2.7Å; M94-L97 HydrophobicContact SD-CD1 4.26Å; M94-A98 WeakPolarHBondContact O-CB 3.16Å; M94-A98 PolarHBondContact O-N 3.38Å
95R98.1Very high96.6Very high159 Ų15988.3 Ų88.360%0.646%0.459SS*.Hα-helixtrans-60.5-45173.4-72.9176.175.2168.35.9111.3K91 L92 R93 L97 A98 S99K91-R95 VanDerWaalsContact O-CG 3.31Å; K91-R95 WeakPolarHBondContact O-CG 3.32Å; K91-R95 PolarHBondContact O-N 3.39Å; L92-R95 PolarHBondContact O-N 2.75Å; R93-R95 PolarHBondContact O-N 3.37Å; R95-L97 PolarHBondContact O-N 2.74Å; R95-A98 PolarHBondContact O-N 3.11Å; R95-S99 PolarHBondContact O-N 3.37Å; R95-S99 PolarHBondContact O-OG 2.91Å
96T98.3Very high96.7Very high72 Ų7295.2 Ų95.244%0.44248%0.477SS..Hα-helixtrans-60.4-44.8177.5-53.40000111.4L92 R93 M94 A98 S99 A100L92-T96 PolarHBondContact O-N 3.44Å; L92-T96 PolarHBondContact O-OG1 2.76Å; R93-T96 WeakPolarHBondContact O-CB 3.33Å; R93-T96 PolarHBondContact O-N 2.87Å; M94-T96 VanDerWaalsContact C-N 3.34Å; T96-A98 VanDerWaalsContact C-N 3.35Å; T96-A98 PolarHBondContact O-N 3.47Å; T96-S99 PolarHBondContact O-N 3.11Å; T96-A100 WeakPolarHBondContact O-CB 3.29Å; T96-A100 PolarHBondContact O-N 3.01Å
97L98.2Very high96.7Very high95 Ų9597.6 Ų97.650%0.49747%0.472SS..Hα-helixtrans-63.1-39.8175.7-66.5-175.8000112.5R93 M94 R95 A100 L101R93-L97 WeakPolarHBondContact O-CG 3.49Å; R93-L97 PolarHBondContact O-N 2.74Å; M94-L97 HydrophobicContact CE-CD1 3.32Å; M94-L97 HydrophobicContact CE-CG 4.31Å; M94-L97 PolarHBondContact O-N 2.7Å; M94-L97 HydrophobicContact SD-CD1 4.26Å; R95-L97 PolarHBondContact O-N 2.74Å; L97-A100 PolarHBondContact O-N 3.41Å; L97-L101 WeakPolarHBondContact O-CB 3.11Å; L97-L101 PolarHBondContact O-N 2.84Å
98A96.9Very high96.7Very high56 Ų5694 Ų9446%0.46345%0.445SS..Hα-helixtrans-65.3-43177.200000111.8M94 R95 T96 L101 H102M94-A98 WeakPolarHBondContact O-CB 3.16Å; M94-A98 PolarHBondContact O-N 3.38Å; R95-A98 PolarHBondContact O-N 3.11Å; T96-A98 VanDerWaalsContact C-N 3.35Å; T96-A98 PolarHBondContact O-N 3.47Å; A98-L101 PolarHBondContact O-N 2.96Å; A98-H102 PolarHBondContact O-N 3.39Å
99S97Very high96.5Very high79 Ų7991.5 Ų91.555%0.55244%0.436SS*.Hα-helixtrans-61.3-46.6174.1-66.30000111.7R95 T96 L101 H102 E103R95-S99 PolarHBondContact O-N 3.37Å; R95-S99 PolarHBondContact O-OG 2.91Å; T96-S99 PolarHBondContact O-N 3.11Å; S99-L101 VanDerWaalsContact C-N 3.31Å; S99-L101 PolarHBondContact O-N 3.42Å; S99-H102 PolarHBondContact O-N 3.33Å; S99-H102 VanDerWaalsContact O-N 3.14Å; S99-E103 PolarHBondContact O-N 3.42Å
100A97.9Very high96.2Very high59 Ų5989.2 Ų89.249%0.48844%0.441SS..Hα-helixtrans-61.6-37.8177.400000112.6T96 L97 E103 L104T96-A100 WeakPolarHBondContact O-CB 3.29Å; T96-A100 PolarHBondContact O-N 3.01Å; L97-A100 PolarHBondContact O-N 3.41Å; A100-E103 PolarHBondContact O-N 3.24Å; A100-L104 WeakPolarHBondContact O-CB 3.33Å; A100-L104 PolarHBondContact O-N 3.23Å
101L96.3Very high95.8Very high31 Ų3190 Ų9016%0.16246%0.455CS..Hα-helixtrans-68.9-35175.7-169.3113.6000112.1L97 A98 S99 R105 K121 T124L97-L101 WeakPolarHBondContact O-CB 3.11Å; L97-L101 PolarHBondContact O-N 2.84Å; A98-L101 PolarHBondContact O-N 2.96Å; S99-L101 VanDerWaalsContact C-N 3.31Å; S99-L101 PolarHBondContact O-N 3.42Å; L101-R105 VanDerWaalsContact CD2-NH2 3.28Å; L101-R105 PolarHBondContact O-N 3.25Å; L101-K121 HydrophobicContact CD1-CB 4.15Å; L101-K121 HydrophobicContact CD1-CG 4.09Å; L101-K121 HydrophobicContact CD2-CB 4.49Å; L101-K121 HydrophobicContact CD2-CG 3.85Å; L101-T124 HydrophobicContact CG-CG2 4.39Å
102H94.4Very high95.3Very high126 Ų12685.6 Ų85.658%0.58344%0.438SS*.Hα-helixtrans-67.8-42.7172.9-173.472.3000111.5A98 S99 L104 R105 R106A98-H102 PolarHBondContact O-N 3.39Å; S99-H102 PolarHBondContact O-N 3.33Å; S99-H102 VanDerWaalsContact O-N 3.14Å; H102-L104 VanDerWaalsContact C-N 3.3Å; H102-L104 PolarHBondContact O-N 3.32Å; H102-R105 WeakPolarHBondContact O-CB 3.26Å; H102-R105 PolarHBondContact O-N 2.89Å; H102-R105 VanDerWaalsContact O-N 3.09Å; H102-R106 PolarHBondContact O-N 3.07Å
103E95.7Very high94.8Very high93 Ų9383.2 Ų83.244%0.43543%0.429SS..Hα-helixtrans-59.4-42.5174.6-161.667.8-162.500111.1S99 A100 R105 R106 F107S99-E103 PolarHBondContact O-N 3.42Å; A100-E103 PolarHBondContact O-N 3.24Å; E103-R105 PolarHBondContact O-N 3.1Å; E103-R106 VanDerWaalsContact O-CB 3.24Å; E103-R106 WeakPolarHBondContact O-CB 3.24Å; E103-R106 PolarHBondContact O-N 3.07Å; E103-F107 HydrophobicContact CG-CE2 4.11Å; E103-F107 VanDerWaalsContact O-CD2 3.29Å; E103-F107 WeakPolarHBondContact O-CD2 3.36Å
104L96.5Very high94.1Very high55 Ų5579.3 Ų79.329%0.28842%0.421SS..Hα-helixtrans-56.5-37.6175.1-179.459.6000112.5A100 H102 R106 F107 T124 L125 A128A100-L104 WeakPolarHBondContact O-CB 3.33Å; A100-L104 PolarHBondContact O-N 3.23Å; H102-L104 VanDerWaalsContact C-N 3.3Å; H102-L104 PolarHBondContact O-N 3.32Å; L104-R106 VanDerWaalsContact C-N 3.26Å; L104-R106 PolarHBondContact O-N 3.38Å; L104-F107 PolarHBondContact O-N 3.01Å; L104-T124 HydrophobicContact CD2-CG2 4.01Å; L104-T124 HydrophobicContact CG-CG2 4.14Å; L104-L125 HydrophobicContact CD2-CD2 4.11Å; L104-A128 HydrophobicContact CD1-CB 3.98Å; L104-A128 HydrophobicContact CD2-CB 4.07Å; L104-A128 HydrophobicContact CG-CB 4.25Å
105R95.1Very high92.9Very high65 Ų6581 Ų8125%0.24545%0.447CS..Hα-helixtrans-65.6-30.5177.5-69173.1-178.7156.1-0.2112.7L101 H102 E103 F107 L108 L119 T120 T124L101-R105 VanDerWaalsContact CD2-NH2 3.28Å; L101-R105 PolarHBondContact O-N 3.25Å; H102-R105 WeakPolarHBondContact O-CB 3.26Å; H102-R105 PolarHBondContact O-N 2.89Å; H102-R105 VanDerWaalsContact O-N 3.09Å; E103-R105 PolarHBondContact O-N 3.1Å; R105-F107 PolarHBondContact O-N 3.22Å; R105-L108 WeakPolarHBondContact O-CB 3.49Å; R105-L108 PolarHBondContact O-N 3.31Å; R105-L108 VanDerWaalsContact O-N 3.1Å; R105-L119 VanDerWaalsContact CZ-O 3.31Å; R105-L119 PolarHBondContact NH2-O 2.86Å; R105-T120 PolarHBondContact NH2-O 2.94Å; R105-T124 HydrophobicContact CG-CG2 3.52Å; R105-T124 PolarHBondContact NE-OG1 3.28Å; R105-T124 PolarHBondContact NH2-OG1 2.86Å; R105-T124 VanDerWaalsContact NH2-OG1 3.11Å
106R94.1Very high91.8Very high200 Ų20077.5 Ų77.576%0.75546%0.46SS*.Hα-helixtrans-64.5-27177.7-170.3177.2-179.7153.71.9112.4H102 E103 L104H102-R106 PolarHBondContact O-N 3.07Å; E103-R106 VanDerWaalsContact O-CB 3.24Å; E103-R106 WeakPolarHBondContact O-CB 3.24Å; E103-R106 PolarHBondContact O-N 3.07Å; L104-R106 VanDerWaalsContact C-N 3.26Å; L104-R106 PolarHBondContact O-N 3.38Å
107F94.9Very high91Very high136 Ų13680 Ų8060%0.59647%0.467SS*.THydrogen-bonded Turntrans-84.2-9.8175.9-64.1-70000113.7E103 L104 R105 Y131E103-F107 HydrophobicContact CG-CE2 4.11Å; E103-F107 VanDerWaalsContact O-CD2 3.29Å; E103-F107 WeakPolarHBondContact O-CD2 3.36Å; L104-F107 PolarHBondContact O-N 3.01Å; R105-F107 PolarHBondContact O-N 3.22Å; F107-Y131 VanDerWaalsContact O-CE1 3.32Å; F107-Y131 WeakPolarHBondContact O-CE1 3.3Å
108L95.3Very high90.2Very high12 Ų1280.7 Ų80.76%0.06348%0.48CS..SBendtrans-79.4138.4176.3-65.6177.1000110.1R105 A113 L119 T124 L127 A128R105-L108 WeakPolarHBondContact O-CB 3.49Å; R105-L108 PolarHBondContact O-N 3.31Å; R105-L108 VanDerWaalsContact O-N 3.1Å; L108-A113 HydrophobicContact CB-CB 3.84Å; L108-A113 HydrophobicContact CD1-CB 4.26Å; L108-L119 HydrophobicContact CD1-CD1 4.44Å; L108-T124 HydrophobicContact CD1-CG2 4.29Å; L108-L127 HydrophobicContact CD1-CB 3.9Å; L108-L127 HydrophobicContact CD1-CD1 4.3Å; L108-L127 HydrophobicContact CD2-CB 4.13Å; L108-A128 HydrophobicContact CD2-CB 4.26Å
109P93.8Very high89.9Confident25 Ų2578.9 Ų78.916%0.16246%0.462CS..  trans-51.2140.3172.4-28.733.1000112.3S111 L112 A113 Y131P109-S111 PolarHBondContact O-N 3.16Å; P109-L112 HydrophobicContact CB-CD1 4.3Å; P109-L112 HydrophobicContact CB-CG 4.32Å; P109-L112 HydrophobicContact CG-CD1 3.99Å; P109-L112 WeakPolarHBondContact O-CA 3.48Å; P109-L112 PolarHBondContact O-N 3.09Å; P109-A113 PolarHBondContact O-N 2.83Å; P109-Y131 HydrophobicContact CG-CD2 3.71Å; P109-Y131 HydrophobicContact CG-CE1 4.41Å; P109-Y131 HydrophobicContact CG-CE2 3.41Å; P109-Y131 VanDerWaalsContact CG-CE2 3.41Å; P109-Y131 HydrophobicContact CG-CG 4.35Å
110P89.9Confident89.9Confident107 Ų10778.3 Ų78.370%0.69546%0.456SS*.THydrogen-bonded Turntrans-58.6-23.3178-2634.2000114.3L112 A113 P114P110-L112 VanDerWaalsContact C-N 3.29Å; P110-A113 CarbonylContact O-C 3.42Å; P110-P114 WeakPolarHBondContact O-CA 3.36Å; P110-P114 VanDerWaalsContact O-N 3.17Å
111S89.1Confident89.8Confident96 Ų9682.3 Ų82.367%0.67146%0.462SS*.THydrogen-bonded Turntrans-68.8-26.517352.50000113.4P109P109-S111 PolarHBondContact O-N 3.16Å
112L87.2Confident89.8Confident48 Ų4885.2 Ų85.225%0.25148%0.477SS..THydrogen-bonded Turntrans-100.1-26.2179.7-60.7177.1000111.9P109 P110 L127P109-L112 HydrophobicContact CB-CD1 4.3Å; P109-L112 HydrophobicContact CB-CG 4.32Å; P109-L112 HydrophobicContact CG-CD1 3.99Å; P109-L112 WeakPolarHBondContact O-CA 3.48Å; P109-L112 PolarHBondContact O-N 3.09Å; P110-L112 VanDerWaalsContact C-N 3.29Å; L112-L127 HydrophobicContact CB-CD1 4.45Å; L112-L127 HydrophobicContact CB-CD2 4.27Å; L112-L127 HydrophobicContact CD2-CD2 4.26Å; L112-L127 WeakPolarHBondContact O-CD1 3.38Å
113A85.3Confident89.9Confident18 Ų1883.3 Ų83.315%0.14947%0.468CS..SBendtrans-137.277.6178.200000110.4L108 P109 P110 A115 L119L108-A113 HydrophobicContact CB-CB 3.84Å; L108-A113 HydrophobicContact CD1-CB 4.26Å; P109-A113 PolarHBondContact O-N 2.83Å; P110-A113 CarbonylContact O-C 3.42Å; A113-A115 PolarHBondContact O-N 2.84Å; A113-L119 HydrophobicContact CB-CD1 3.63Å
114P83Confident90Very high58 Ų5878.9 Ų78.938%0.37745%0.448SS..  trans-55.9133.8176.2-25.134.2000111.5P110 G116 Q117P110-P114 WeakPolarHBondContact O-CA 3.36Å; P110-P114 VanDerWaalsContact O-N 3.17Å; P114-G116 PolarHBondContact O-N 2.99Å; P114-Q117 HydrophobicContact CB-CB 4.36Å; P114-Q117 PolarHBondContact O-N 3.14Å
115A73.5Confident90.1Very high110 Ų11080.2 Ų80.291%0.90946%0.455SS*.THydrogen-bonded Turntrans-60.5114.717700000109.5A113A113-A115 PolarHBondContact O-N 2.84Å
116G75.6Confident90.2Very high86 Ų8685.1 Ų85.189%0.88747%0.473SS*.THydrogen-bonded Turntrans108-12.9-177.300000115P114P114-G116 PolarHBondContact O-N 2.99Å
117Q80.7Confident90.3Very high124 Ų12476.9 Ų76.958%0.57944%0.444SS*.  trans-81.7127.4170.9-170.8175.45.400110.5P114 L119P114-Q117 HydrophobicContact CB-CB 4.36Å; P114-Q117 PolarHBondContact O-N 3.14Å; Q117-L119 PolarHBondContact O-N 2.87Å; Q117-L119 VanDerWaalsContact O-N 3.14Å
118S82.7Confident90.4Very high110 Ų11070.9 Ų70.977%0.76942%0.42SS*.  trans-78.797.2174.1610000110.3
119L90.5Very high90.5Very high18 Ų1876.2 Ų76.29%0.09445%0.447CS..  trans-71.9145166.9-64.1176000110.2R105 L108 A113 Q117 E123 L127R105-L119 VanDerWaalsContact CZ-O 3.31Å; R105-L119 PolarHBondContact NH2-O 2.86Å; L108-L119 HydrophobicContact CD1-CD1 4.44Å; A113-L119 HydrophobicContact CB-CD1 3.63Å; Q117-L119 PolarHBondContact O-N 2.87Å; Q117-L119 VanDerWaalsContact O-N 3.14Å; L119-E123 HydrophobicContact CD2-CB 4.46Å; L119-L127 HydrophobicContact CD1-CD1 3.94Å; L119-L127 HydrophobicContact CD2-CD1 4.37Å
120T95.7Very high90.6Very high67 Ų6783.5 Ų83.541%0.41147%0.471SS..  trans-74.4167.5167.5650000110.9R105 I122 E123 T124R105-T120 PolarHBondContact NH2-O 2.94Å; T120-I122 VanDerWaalsContact C-N 3.34Å; T120-I122 WeakPolarHBondContact OG1-CG2 3.19Å; T120-E123 WeakPolarHBondContact CB-OE2 3.25Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.36Å; T120-E123 PolarHBondContact N-OE2 3.31Å; T120-E123 WeakPolarHBondContact OG1-CB 3.26Å; T120-E123 WeakPolarHBondContact OG1-CG 3.22Å; T120-E123 PolarHBondContact OG1-N 2.91Å; T120-E123 PolarHBondContact OG1-OE2 3.13Å; T120-T124 PolarHBondContact O-N 2.79Å; T120-T124 VanDerWaalsContact O-N 3.12Å; T120-T124 PolarHBondContact O-OG1 2.78Å
121K96.6Very high90.9Very high143 Ų14381.6 Ų81.662%0.62245%0.45SS*.Hα-helixtrans-60-44.8175.6-67.3-178.2179.5177.10111.3L101 T124 L125L101-K121 HydrophobicContact CD1-CB 4.15Å; L101-K121 HydrophobicContact CD1-CG 4.09Å; L101-K121 HydrophobicContact CD2-CB 4.49Å; L101-K121 HydrophobicContact CD2-CG 3.85Å; K121-T124 PolarHBondContact O-N 3.41Å; K121-L125 VanDerWaalsContact O-CG 3.31Å; K121-L125 WeakPolarHBondContact O-CG 3.13Å; K121-L125 PolarHBondContact O-N 3.25Å; K121-L125 VanDerWaalsContact O-N 3.12Å
122I97.3Very high91.3Very high93 Ų9382.1 Ų82.148%0.47744%0.444SS..Hα-helixtrans-68.2-40.6-176.6-168.566.2000111.8T120 L125 R126T120-I122 VanDerWaalsContact C-N 3.34Å; T120-I122 WeakPolarHBondContact OG1-CG2 3.19Å; I122-L125 PolarHBondContact O-N 2.82Å; I122-R126 HydrophobicContact CG1-CG 4.49Å; I122-R126 WeakPolarHBondContact O-CB 3.31Å; I122-R126 VanDerWaalsContact O-CG 3.29Å; I122-R126 WeakPolarHBondContact O-CG 3.17Å; I122-R126 PolarHBondContact O-N 2.76Å
123E96.1Very high91.6Very high85 Ų8581.7 Ų81.740%0.39745%0.452SS..Hα-helixtrans-62.9-44.4175.7-72.2162.7156.600111.3L119 T120 L125 R126 L127L119-E123 HydrophobicContact CD2-CB 4.46Å; T120-E123 WeakPolarHBondContact CB-OE2 3.25Å; T120-E123 WeakPolarHBondContact CG2-OE2 3.36Å; T120-E123 PolarHBondContact N-OE2 3.31Å; T120-E123 WeakPolarHBondContact OG1-CB 3.26Å; T120-E123 WeakPolarHBondContact OG1-CG 3.22Å; T120-E123 PolarHBondContact OG1-N 2.91Å; T120-E123 PolarHBondContact OG1-OE2 3.13Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 2.84Å; E123-R126 PolarHBondContact O-N 3.22Å; E123-L127 WeakPolarHBondContact O-CB 3.44Å; E123-L127 VanDerWaalsContact O-CG 3.3Å; E123-L127 WeakPolarHBondContact O-CG 3.48Å; E123-L127 PolarHBondContact O-N 3.33Å
124T96.8Very high92.1Very high0 Ų083.7 Ų83.70%046%0.458CS..Hα-helixtrans-57.5-46.1177.9-540000110.9L101 L104 R105 L108 T120 K121 A128L101-T124 HydrophobicContact CG-CG2 4.39Å; L104-T124 HydrophobicContact CD2-CG2 4.01Å; L104-T124 HydrophobicContact CG-CG2 4.14Å; R105-T124 HydrophobicContact CG-CG2 3.52Å; R105-T124 PolarHBondContact NE-OG1 3.28Å; R105-T124 PolarHBondContact NH2-OG1 2.86Å; R105-T124 VanDerWaalsContact NH2-OG1 3.11Å; L108-T124 HydrophobicContact CD1-CG2 4.29Å; T120-T124 PolarHBondContact O-N 2.79Å; T120-T124 VanDerWaalsContact O-N 3.12Å; T120-T124 PolarHBondContact O-OG1 2.78Å; K121-T124 PolarHBondContact O-N 3.41Å; T124-A128 WeakPolarHBondContact O-CB 3.4Å; T124-A128 PolarHBondContact O-N 2.78Å
125L98.1Very high92.7Very high83 Ų8384.2 Ų84.244%0.43546%0.457SS..Hα-helixtrans-66.4-43.7179.3-66.1175000111.9L104 K121 I122 E123 A128 I129L104-L125 HydrophobicContact CD2-CD2 4.11Å; K121-L125 VanDerWaalsContact O-CG 3.31Å; K121-L125 WeakPolarHBondContact O-CG 3.13Å; K121-L125 PolarHBondContact O-N 3.25Å; K121-L125 VanDerWaalsContact O-N 3.12Å; I122-L125 PolarHBondContact O-N 2.82Å; E123-L125 VanDerWaalsContact C-N 3.31Å; E123-L125 PolarHBondContact O-N 2.84Å; L125-A128 PolarHBondContact O-N 2.92Å; L125-I129 VanDerWaalsContact O-CG1 3.31Å; L125-I129 WeakPolarHBondContact O-CG1 3.36Å; L125-I129 PolarHBondContact O-N 3.41Å
126R97Very high93.8Very high168 Ų16880.1 Ų80.163%0.63442%0.422SS*.Hα-helixtrans-61.9-44.9177.5-74.1175.8175.4-174.3-1.4111.9I122 E123 I129 R130I122-R126 HydrophobicContact CG1-CG 4.49Å; I122-R126 WeakPolarHBondContact O-CB 3.31Å; I122-R126 VanDerWaalsContact O-CG 3.29Å; I122-R126 WeakPolarHBondContact O-CG 3.17Å; I122-R126 PolarHBondContact O-N 2.76Å; E123-R126 PolarHBondContact O-N 3.22Å; R126-I129 PolarHBondContact O-N 3.48Å; R126-R130 WeakPolarHBondContact O-CG 3.49Å; R126-R130 PolarHBondContact O-N 2.88Å; R126-R130 VanDerWaalsContact O-N 3.1Å
127L96.9Very high94.5Very high28 Ų2879.4 Ų79.415%0.14741%0.408CS..Hα-helixtrans-64.2-41.6177-71.7173.2000111.9L108 L112 L119 E123 I129 R130 Y131L108-L127 HydrophobicContact CD1-CB 3.9Å; L108-L127 HydrophobicContact CD1-CD1 4.3Å; L108-L127 HydrophobicContact CD2-CB 4.13Å; L112-L127 HydrophobicContact CB-CD1 4.45Å; L112-L127 HydrophobicContact CB-CD2 4.27Å; L112-L127 HydrophobicContact CD2-CD2 4.26Å; L112-L127 WeakPolarHBondContact O-CD1 3.38Å; L119-L127 HydrophobicContact CD1-CD1 3.94Å; L119-L127 HydrophobicContact CD2-CD1 4.37Å; E123-L127 WeakPolarHBondContact O-CB 3.44Å; E123-L127 VanDerWaalsContact O-CG 3.3Å; E123-L127 WeakPolarHBondContact O-CG 3.48Å; E123-L127 PolarHBondContact O-N 3.33Å; L127-I129 PolarHBondContact O-N 3.22Å; L127-R130 PolarHBondContact O-N 3.04Å; L127-Y131 WeakPolarHBondContact O-CB 3.37Å; L127-Y131 PolarHBondContact O-N 3.14Å
128A97.7Very high95.2Very high10 Ų1078.3 Ų78.38%0.08341%0.41CS..Hα-helixtrans-60.9-44.1176.800000112L104 L108 T124 L125 R130 Y131 I132L104-A128 HydrophobicContact CD1-CB 3.98Å; L104-A128 HydrophobicContact CD2-CB 4.07Å; L104-A128 HydrophobicContact CG-CB 4.25Å; L108-A128 HydrophobicContact CD2-CB 4.26Å; T124-A128 WeakPolarHBondContact O-CB 3.4Å; T124-A128 PolarHBondContact O-N 2.78Å; L125-A128 PolarHBondContact O-N 2.92Å; A128-R130 PolarHBondContact O-N 3.47Å; A128-Y131 PolarHBondContact O-N 3.09Å; A128-I132 VanDerWaalsContact O-CG1 3.26Å; A128-I132 WeakPolarHBondContact O-CG1 3.38Å; A128-I132 PolarHBondContact O-N 3.33Å
129I96.9Very high95.8Very high123 Ų12379.1 Ų79.163%0.63140%0.404SS*.Hα-helixtrans-59.9-48.1176.1-67163.4000110.5L125 R126 L127 Y131 I132 G133L125-I129 VanDerWaalsContact O-CG1 3.31Å; L125-I129 WeakPolarHBondContact O-CG1 3.36Å; L125-I129 PolarHBondContact O-N 3.41Å; R126-I129 PolarHBondContact O-N 3.48Å; L127-I129 PolarHBondContact O-N 3.22Å; I129-Y131 VanDerWaalsContact C-N 3.31Å; I129-Y131 PolarHBondContact O-N 3.37Å; I129-I132 PolarHBondContact O-N 3.42Å; I129-G133 PolarHBondContact O-N 2.92Å
130R95.9Very high95.8Very high178 Ų17880.9 Ų80.967%0.67243%0.427SS*.Hα-helixtrans-60.6-41.2177.5-73.9-176.562.6176.4-1.6112.2R126 L127 A128 G133 H134R126-R130 WeakPolarHBondContact O-CG 3.49Å; R126-R130 PolarHBondContact O-N 2.88Å; R126-R130 VanDerWaalsContact O-N 3.1Å; L127-R130 PolarHBondContact O-N 3.04Å; A128-R130 PolarHBondContact O-N 3.47Å; R130-G133 PolarHBondContact O-N 3.41Å; R130-H134 PolarHBondContact O-N 2.99Å
131Y97Very high95.3Very high67 Ų6780.8 Ų80.826%0.26342%0.424SS..Hα-helixtrans-69-42.7-179-175.8-126.6000112.1F107 P109 L127 A128 I129 G133 H134 L135F107-Y131 VanDerWaalsContact O-CE1 3.32Å; F107-Y131 WeakPolarHBondContact O-CE1 3.3Å; P109-Y131 HydrophobicContact CG-CD2 3.71Å; P109-Y131 HydrophobicContact CG-CE1 4.41Å; P109-Y131 HydrophobicContact CG-CE2 3.41Å; P109-Y131 VanDerWaalsContact CG-CE2 3.41Å; P109-Y131 HydrophobicContact CG-CG 4.35Å; L127-Y131 WeakPolarHBondContact O-CB 3.37Å; L127-Y131 PolarHBondContact O-N 3.14Å; A128-Y131 PolarHBondContact O-N 3.09Å; I129-Y131 VanDerWaalsContact C-N 3.31Å; I129-Y131 PolarHBondContact O-N 3.37Å; Y131-G133 VanDerWaalsContact C-N 3.29Å; Y131-G133 PolarHBondContact O-N 3Å; Y131-H134 PolarHBondContact O-N 3.47Å; Y131-L135 HydrophobicContact CD1-CD1 4.11Å; Y131-L135 HydrophobicContact CD2-CG 4.31Å; Y131-L135 HydrophobicContact CE1-CD1 3.63Å; Y131-L135 HydrophobicContact CE1-CG 4.35Å; Y131-L135 HydrophobicContact CE2-CD1 4.11Å; Y131-L135 HydrophobicContact CE2-CD2 4.03Å; Y131-L135 HydrophobicContact CE2-CG 3.92Å; Y131-L135 WeakPolarHBondContact O-CG 3.47Å; Y131-L135 PolarHBondContact O-N 3.49Å
132I96.3Very high94.4Very high107 Ų10776.2 Ų76.255%0.54941%0.41SS..Hα-helixtrans-58.7-44171.9-67.1164.5000110.2A128 I129 L135 S136A128-I132 VanDerWaalsContact O-CG1 3.26Å; A128-I132 WeakPolarHBondContact O-CG1 3.38Å; A128-I132 PolarHBondContact O-N 3.33Å; I129-I132 PolarHBondContact O-N 3.42Å; I132-L135 PolarHBondContact O-N 3.36Å; I132-S136 WeakPolarHBondContact O-CB 3.41Å; I132-S136 PolarHBondContact O-N 2.89Å; I132-S136 PolarHBondContact O-OG 3.26Å
133G94.8Very high93.5Very high40 Ų4076.8 Ų76.841%0.41241%0.41SS..Hα-helixtrans-60.1-45.4176.300000112.7I129 R130 Y131 S136 A137I129-G133 PolarHBondContact O-N 2.92Å; R130-G133 PolarHBondContact O-N 3.41Å; Y131-G133 VanDerWaalsContact C-N 3.29Å; Y131-G133 PolarHBondContact O-N 3Å; G133-S136 PolarHBondContact O-N 3.14Å; G133-A137 PolarHBondContact O-N 3.03Å
134H95Very high92.5Very high59 Ų5978.8 Ų78.827%0.27342%0.42SS..Hα-helixtrans-60.8-49.7176.3174.968.2000112.1R130 Y131 S136 A137 V138 F372R130-H134 PolarHBondContact O-N 2.99Å; Y131-H134 PolarHBondContact O-N 3.47Å; H134-S136 VanDerWaalsContact C-N 3.28Å; H134-S136 PolarHBondContact O-N 2.84Å; H134-A137 PolarHBondContact O-N 3.06Å; H134-V138 WeakPolarHBondContact O-CG2 3.47Å; H134-V138 PolarHBondContact O-N 3.42Å; H134-F372 AromaticContact CE1-CD1 3.36Å; H134-F372 WeakPolarHBondContact CE1-CD1 3.31Å; H134-F372 AromaticContact CE1-CE1 3.69Å; H134-F372 AromaticContact CE1-CG 3.75Å; H134-F372 AromaticContact ND1-CD1 3.99Å; H134-F372 AromaticContact ND1-CG 3.95Å; H134-F372 AromaticContact NE2-CD1 3.74Å; H134-F372 AromaticContact NE2-CE1 3.58Å
135L96.3Very high91.5Very high69 Ų6981.7 Ų81.736%0.36144%0.44SS..Hα-helixtrans-61.5-38.3177.3-69178.4000112Y131 I132 A137 V138 L139Y131-L135 HydrophobicContact CD1-CD1 4.11Å; Y131-L135 HydrophobicContact CD2-CG 4.31Å; Y131-L135 HydrophobicContact CE1-CD1 3.63Å; Y131-L135 HydrophobicContact CE1-CG 4.35Å; Y131-L135 HydrophobicContact CE2-CD1 4.11Å; Y131-L135 HydrophobicContact CE2-CD2 4.03Å; Y131-L135 HydrophobicContact CE2-CG 3.92Å; Y131-L135 WeakPolarHBondContact O-CG 3.47Å; Y131-L135 PolarHBondContact O-N 3.49Å; I132-L135 PolarHBondContact O-N 3.36Å; L135-A137 VanDerWaalsContact C-N 3.34Å; L135-A137 PolarHBondContact O-N 3.29Å; L135-V138 PolarHBondContact O-N 2.86Å; L135-L139 WeakPolarHBondContact O-CB 3.31Å; L135-L139 VanDerWaalsContact O-CG 3.24Å; L135-L139 WeakPolarHBondContact O-CG 3.29Å; L135-L139 PolarHBondContact O-N 3.1Å
136S95.3Very high90.5Very high24 Ų2480.5 Ų80.517%0.16843%0.434CS..Hα-helixtrans-62.9-42.1176.9-57.30000111.2I132 G133 H134 L139 G140 L141I132-S136 WeakPolarHBondContact O-CB 3.41Å; I132-S136 PolarHBondContact O-N 2.89Å; I132-S136 PolarHBondContact O-OG 3.26Å; G133-S136 PolarHBondContact O-N 3.14Å; H134-S136 VanDerWaalsContact C-N 3.28Å; H134-S136 PolarHBondContact O-N 2.84Å; S136-L139 CarbonylContact O-C 3.59Å; S136-L139 PolarHBondContact O-N 2.98Å; S136-G140 PolarHBondContact O-N 3.37Å; S136-G140 VanDerWaalsContact O-N 3.13Å; S136-L141 PolarHBondContact O-N 3.19Å
137A92Very high89.6Confident72 Ų7276.4 Ų76.460%0.59542%0.422SS*.Hα-helixtrans-64.6-44.7175.400000112.2G133 H134 L135 L139 G140G133-A137 PolarHBondContact O-N 3.03Å; H134-A137 PolarHBondContact O-N 3.06Å; L135-A137 VanDerWaalsContact C-N 3.34Å; L135-A137 PolarHBondContact O-N 3.29Å; A137-L139 VanDerWaalsContact C-N 3.26Å; A137-L139 PolarHBondContact O-N 3.36Å; A137-G140 PolarHBondContact O-N 3.47Å
138V95.4Very high88.6Confident101 Ų10182.1 Ų82.161%0.61244%0.442SS*.Hα-helixtrans-59.9-37.4176.1171.40000111.5H134 L135 G140H134-V138 WeakPolarHBondContact O-CG2 3.47Å; H134-V138 PolarHBondContact O-N 3.42Å; L135-V138 PolarHBondContact O-N 2.86Å; V138-G140 VanDerWaalsContact C-N 3.28Å; V138-G140 PolarHBondContact O-N 2.9Å
139L95.4Very high87.6Confident126 Ų12689 Ų8966%0.6647%0.466SS*.THydrogen-bonded Turntrans-82.5-0.6177.5-65.8173.1000113.8L135 S136 A137 L141L135-L139 WeakPolarHBondContact O-CB 3.31Å; L135-L139 VanDerWaalsContact O-CG 3.24Å; L135-L139 WeakPolarHBondContact O-CG 3.29Å; L135-L139 PolarHBondContact O-N 3.1Å; S136-L139 CarbonylContact O-C 3.59Å; S136-L139 PolarHBondContact O-N 2.98Å; A137-L139 VanDerWaalsContact C-N 3.26Å; A137-L139 PolarHBondContact O-N 3.36Å; L139-L141 HydrophobicContact CB-CD1 4.2Å; L139-L141 HydrophobicContact CB-CG 4.01Å; L139-L141 HydrophobicContact CD1-CD1 4.27Å; L139-L141 PolarHBondContact O-N 3.46Å
140G88.8Confident86.8Confident55 Ų5592 Ų9257%0.56747%0.47SS*.THydrogen-bonded Turntrans65.516.8-175.900000114S136 A137 V138 S142S136-G140 PolarHBondContact O-N 3.37Å; S136-G140 VanDerWaalsContact O-N 3.13Å; A137-G140 PolarHBondContact O-N 3.47Å; V138-G140 VanDerWaalsContact C-N 3.28Å; V138-G140 PolarHBondContact O-N 2.9Å; G140-S142 PolarHBondContact O-N 3.36Å
141L85.6Confident86.1Confident66 Ų6692.5 Ų92.535%0.34647%0.471SS..  trans-8067.8172.8-61177.2000108.5S136 L139S136-L141 PolarHBondContact O-N 3.19Å; L139-L141 HydrophobicContact CB-CD1 4.2Å; L139-L141 HydrophobicContact CB-CG 4.01Å; L139-L141 HydrophobicContact CD1-CD1 4.27Å; L139-L141 PolarHBondContact O-N 3.46Å
142S78Confident85Confident46 Ų4694 Ų9432%0.32248%0.481SS..  trans-57.6148.1179.590.10000109.9G140 E144 S145 L146G140-S142 PolarHBondContact O-N 3.36Å; S142-E144 WeakPolarHBondContact CB-OE2 3.44Å; S142-E144 PolarHBondContact O-N 2.94Å; S142-E144 VanDerWaalsContact O-N 3.11Å; S142-E144 PolarHBondContact OG-N 2.99Å; S142-E144 PolarHBondContact OG-OE2 3.12Å; S142-S145 WeakPolarHBondContact O-CA 3.45Å; S142-S145 WeakPolarHBondContact O-CB 3.44Å; S142-S145 PolarHBondContact O-N 3.36Å; S142-S145 PolarHBondContact OG-N 3.36Å; S142-S145 PolarHBondContact OG-OG 3.26Å; S142-L146 PolarHBondContact O-N 2.93Å; S142-L146 VanDerWaalsContact O-N 3.11Å
143E77.7Confident83.7Confident105 Ų10598.8 Ų98.849%0.49149%0.492SS..Hα-helixtrans-54-33.8178.6-179.760.9-151.600110.2S145 L146 Q147E143-S145 PolarHBondContact O-N 3.4Å; E143-L146 PolarHBondContact O-N 2.65Å; E143-Q147 HydrophobicContact CG-CG 4.19Å; E143-Q147 WeakPolarHBondContact O-CB 3.46Å; E143-Q147 WeakPolarHBondContact O-CG 3.39Å; E143-Q147 PolarHBondContact O-N 3.11Å; E143-Q147 VanDerWaalsContact OE1-CG 3.31Å; E143-Q147 WeakPolarHBondContact OE1-CG 3.37Å; E143-Q147 PolarHBondContact OE1-NE2 3.36Å
144E74.9Confident82.4Confident128 Ų12899.9 Ų99.960%0.59850%0.503SS*.Hα-helixtrans-62.9-38.8174.6-59.771.1-153.500112.6S142 Y148S142-E144 WeakPolarHBondContact CB-OE2 3.44Å; S142-E144 PolarHBondContact O-N 2.94Å; S142-E144 VanDerWaalsContact O-N 3.11Å; S142-E144 PolarHBondContact OG-N 2.99Å; S142-E144 PolarHBondContact OG-OE2 3.12Å; E144-Y148 WeakPolarHBondContact O-CB 3.5Å; E144-Y148 PolarHBondContact O-N 2.78Å
145S76.9Confident80.7Confident60 Ų60104.1 Ų104.142%0.4253%0.528SS..Hα-helixtrans-71.7-38.9178.6-59.20000111.8S142 E143 R149S142-S145 WeakPolarHBondContact O-CA 3.45Å; S142-S145 WeakPolarHBondContact O-CB 3.44Å; S142-S145 PolarHBondContact O-N 3.36Å; S142-S145 PolarHBondContact OG-N 3.36Å; S142-S145 PolarHBondContact OG-OG 3.26Å; E143-S145 PolarHBondContact O-N 3.4Å; S145-R149 WeakPolarHBondContact O-CB 3.31Å; S145-R149 PolarHBondContact O-N 2.75Å
146L76.8Confident78.8Confident58 Ų58104 Ų10430%0.30454%0.537SS..Hα-helixtrans-70.3-40.3174.3-67.1177.6000111.5S142 E143 R149 R150S142-L146 PolarHBondContact O-N 2.93Å; S142-L146 VanDerWaalsContact O-N 3.11Å; E143-L146 PolarHBondContact O-N 2.65Å; L146-R149 PolarHBondContact O-N 3.13Å; L146-R150 VanDerWaalsContact O-CB 3.26Å; L146-R150 WeakPolarHBondContact O-CB 3.47Å; L146-R150 PolarHBondContact O-N 2.93Å
147Q78.9Confident76.9Confident82 Ų82105.7 Ų105.738%0.38356%0.558SS.*Hα-helixtrans-66.9-41.3174.3-75.4-177.718.900111.5E143 R150 R151E143-Q147 HydrophobicContact CG-CG 4.19Å; E143-Q147 WeakPolarHBondContact O-CB 3.46Å; E143-Q147 WeakPolarHBondContact O-CG 3.39Å; E143-Q147 PolarHBondContact O-N 3.11Å; E143-Q147 VanDerWaalsContact OE1-CG 3.31Å; E143-Q147 WeakPolarHBondContact OE1-CG 3.37Å; E143-Q147 PolarHBondContact OE1-NE2 3.36Å; Q147-R150 PolarHBondContact O-N 3.24Å; Q147-R151 WeakPolarHBondContact O-CB 3.4Å; Q147-R151 WeakPolarHBondContact O-CG 3.2Å; Q147-R151 PolarHBondContact O-N 2.93Å
148Y75.5Confident75.2Confident148 Ų148107 Ų10758%0.5856%0.563SS**Hα-helixtrans-61.9-47.3174-178.4-105.6000110.6E144 R150 R151 Q152E144-Y148 WeakPolarHBondContact O-CB 3.5Å; E144-Y148 PolarHBondContact O-N 2.78Å; Y148-R150 VanDerWaalsContact C-N 3.32Å; Y148-R150 PolarHBondContact O-N 3.12Å; Y148-R151 PolarHBondContact O-N 3.28Å; Y148-Q152 HydrophobicContact CD1-CG 4.18Å; Y148-Q152 HydrophobicContact CE1-CG 3.88Å; Y148-Q152 HydrophobicContact CE2-CG 4.27Å; Y148-Q152 WeakPolarHBondContact O-CB 3.42Å; Y148-Q152 WeakPolarHBondContact O-CG 3.39Å; Y148-Q152 PolarHBondContact O-N 2.93Å; Y148-Q152 PolarHBondContact OH-NE2 2.76Å
149R75.8Confident73.3Confident156 Ų156107.9 Ų107.959%0.58957%0.571SS**Hα-helixtrans-60.9-38.9173.8-170.4-176.2-63.4-1670.3112.2S145 L146 R153S145-R149 WeakPolarHBondContact O-CB 3.31Å; S145-R149 PolarHBondContact O-N 2.75Å; L146-R149 PolarHBondContact O-N 3.13Å; R149-R153 WeakPolarHBondContact O-CB 3.49Å; R149-R153 PolarHBondContact O-N 3.49Å
150R80.6Confident71.4Confident186 Ų186113.5 Ų113.570%0.70258%0.583SS**Hα-helixtrans-66.8-41.8176.5-171.7-171.3-62.9-104.14.1111.3L146 Q147 Y148 R153 G154L146-R150 VanDerWaalsContact O-CB 3.26Å; L146-R150 WeakPolarHBondContact O-CB 3.47Å; L146-R150 PolarHBondContact O-N 2.93Å; Q147-R150 PolarHBondContact O-N 3.24Å; Y148-R150 VanDerWaalsContact C-N 3.32Å; Y148-R150 PolarHBondContact O-N 3.12Å; R150-R153 PolarHBondContact O-N 2.9Å; R150-G154 PolarHBondContact O-N 3.39Å
151R80.4Confident69.6Low187 Ų187114 Ų11471%0.70659%0.589SS**Hα-helixtrans-66.1-47.6174.8-76.1-176.7-173.9-830.8111.1Q147 Y148 R153 G154 D155Q147-R151 WeakPolarHBondContact O-CB 3.4Å; Q147-R151 WeakPolarHBondContact O-CG 3.2Å; Q147-R151 PolarHBondContact O-N 2.93Å; Y148-R151 PolarHBondContact O-N 3.28Å; R151-R153 VanDerWaalsContact C-N 3.26Å; R151-R153 PolarHBondContact O-N 3.24Å; R151-G154 PolarHBondContact O-N 3.37Å; R151-G154 VanDerWaalsContact O-N 3.13Å; R151-D155 VanDerWaalsContact O-CB 3.22Å; R151-D155 WeakPolarHBondContact O-CB 3.34Å; R151-D155 PolarHBondContact O-N 2.95Å
152Q74.6Confident68.4Low100 Ų100114.7 Ų114.747%0.46760%0.598SS.*Hα-helixtrans-57.8-39.4174-76.7-170.3-3000112.2Y148 A156Y148-Q152 HydrophobicContact CD1-CG 4.18Å; Y148-Q152 HydrophobicContact CE1-CG 3.88Å; Y148-Q152 HydrophobicContact CE2-CG 4.27Å; Y148-Q152 WeakPolarHBondContact O-CB 3.42Å; Y148-Q152 WeakPolarHBondContact O-CG 3.39Å; Y148-Q152 PolarHBondContact O-N 2.93Å; Y148-Q152 PolarHBondContact OH-NE2 2.76Å; Q152-A156 VanDerWaalsContact O-CB 3.25Å; Q152-A156 WeakPolarHBondContact O-CB 3.46Å; Q152-A156 PolarHBondContact O-N 3.49Å
153R69.7Low67.6Low207 Ų207118.6 Ų118.678%0.78162%0.622SS**Hα-helixtrans-75.9-26.7178.2-169.5180-97.8-99.94.9113R149 R150 R151R149-R153 WeakPolarHBondContact O-CB 3.49Å; R149-R153 PolarHBondContact O-N 3.49Å; R150-R153 PolarHBondContact O-N 2.9Å; R151-R153 VanDerWaalsContact C-N 3.26Å; R151-R153 PolarHBondContact O-N 3.24Å
154G66.7Low66.5Low63 Ų63120.7 Ų120.765%0.64964%0.636SS**Hα-helixtrans-84.3-27.9175.200000114.1R150 R151R150-G154 PolarHBondContact O-N 3.39Å; R151-G154 PolarHBondContact O-N 3.37Å; R151-G154 VanDerWaalsContact O-N 3.13Å
155D58.6Low65.3Low147 Ų147119.3 Ų119.379%0.78664%0.639SS**Hα-helixtrans-88.3-19.3176.4-165.736000112.2R151 G157R151-D155 VanDerWaalsContact O-CB 3.22Å; R151-D155 WeakPolarHBondContact O-CB 3.34Å; R151-D155 PolarHBondContact O-N 2.95Å; D155-G157 PolarHBondContact O-N 3.37Å
156A56.5Low64.3Low68 Ų68121.7 Ų121.756%0.56265%0.654SS**SBendtrans-71.955.3156.800000110.4Q152 S158Q152-A156 VanDerWaalsContact O-CB 3.25Å; Q152-A156 WeakPolarHBondContact O-CB 3.46Å; Q152-A156 PolarHBondContact O-N 3.49Å; A156-S158 PolarHBondContact O-N 2.86Å; A156-S158 VanDerWaalsContact O-N 3.14Å
157G57Low63.2Low59 Ų59126.9 Ų126.961%0.60868%0.682SS**  trans-53120.8163.300000107.9D155D155-G157 PolarHBondContact O-N 3.37Å
158S56Low61.6Low100 Ų100126.6 Ų126.670%0.69970%0.701SS**SBendtrans39.2106.3174-164.40000114.3A156 R160A156-S158 PolarHBondContact O-N 2.86Å; A156-S158 VanDerWaalsContact O-N 3.14Å; S158-R160 PolarHBondContact O-N 3.24Å
159P54.2Low60.1Low119 Ų119122.9 Ų122.977%0.77371%0.707SS**  trans-49.3117.3173.123.1-31.4000107.1G161P159-G161 PolarHBondContact O-N 3.47Å; P159-G161 VanDerWaalsContact O-N 3.09Å
160R55.3Low58.8Low243 Ų243121.4 Ų121.492%0.91772%0.718SS**  trans-38.7126.1179.9-89.6-162.7177.7-91.43.5107.1S158 C162S158-R160 PolarHBondContact O-N 3.24Å; R160-C162 PolarHBondContact O-N 2.99Å
161G51.3Low57Low66 Ų66117.2 Ų117.268%0.6872%0.723SS**  trans-38.4136.3-174.800000111.4P159 P163P159-G161 PolarHBondContact O-N 3.47Å; P159-G161 VanDerWaalsContact O-N 3.09Å; G161-P163 VanDerWaalsContact O-N 3.15Å
162C60.6Low55.4Low81 Ų81116.7 Ų116.755%0.54773%0.729SS.*  trans-45.1123.2177.5-156.10000108.7R160 L164 C165R160-C162 PolarHBondContact O-N 2.99Å; C162-L164 PolarHBondContact O-N 2.77Å; C162-C165 PolarHBondContact O-N 2.93Å
163P60.6Low53.8Low127 Ų127116.3 Ų116.383%0.82574%0.742SS**THydrogen-bonded Turntrans-69.113.2-175.828.2-34.5000113.4G161G161-P163 VanDerWaalsContact O-N 3.15Å
164L54.7Low52.6Low149 Ų149115 Ų11578%0.7875%0.745SS**THydrogen-bonded Turntrans-121.84.7-178.1-62.8177000113.6C162 P166C162-L164 PolarHBondContact O-N 2.77Å; L164-P166 WeakPolarHBondContact O-CD 3.43Å
165C50.1Low51.5Low99 Ų99118.1 Ų118.167%0.66975%0.752SS**  trans-91.7104.4170.3-62.20000109.3C162C162-C165 PolarHBondContact O-N 2.93Å
166P56.7Low50.7Low111 Ų111119.3 Ų119.372%0.72175%0.753SS**  trans-70.4141.6159.232.6-31000107.8L164L164-P166 WeakPolarHBondContact O-CD 3.43Å
167D53.1Low49.9Very low166 Ų166120.8 Ų120.889%0.88877%0.765SS**  trans75.391.4174.7-60.2-32.3000118.1
168G45.4Very low49Very low77 Ų77125.1 Ų125.179%0.79477%0.774SS**  trans-168.542.8161.700000111.9
169G43.5Very low47.9Very low69 Ų69123.2 Ų123.271%0.71177%0.77SS**  trans-69.9137175.600000111A171G169-A171 PolarHBondContact O-N 3.01Å; G169-A171 VanDerWaalsContact O-N 3.13Å
170P49.3Very low47.1Very low126 Ų126127.2 Ų127.282%0.81878%0.778SS**  trans-73.1108.917229.7-30.4000108.3Q172P170-Q172 VanDerWaalsContact C-N 3.35Å; P170-Q172 PolarHBondContact O-N 2.93Å
171A42.1Very low45.9Very low97 Ų97119.2 Ų119.280%0.80277%0.772SS**  trans-63.796.9166.100000108.5G169 A173G169-A171 PolarHBondContact O-N 3.01Å; G169-A171 VanDerWaalsContact O-N 3.13Å; A171-A173 VanDerWaalsContact C-N 3.31Å; A171-A173 PolarHBondContact O-N 2.81Å
172Q47.2Very low45.2Very low177 Ų177128.4 Ų128.483%0.82779%0.786SS**  trans-67.296.1159.9-79.9-161.2-31.700107.4P170 Q174P170-Q172 VanDerWaalsContact C-N 3.35Å; P170-Q172 PolarHBondContact O-N 2.93Å; Q172-Q174 PolarHBondContact O-N 2.87Å
173A41.8Very low43.9Very low91 Ų91127.6 Ų127.675%0.75279%0.791SS**  trans-69.988.216600000108.3A171 T175A171-A173 VanDerWaalsContact C-N 3.31Å; A171-A173 PolarHBondContact O-N 2.81Å; A173-T175 PolarHBondContact O-N 3.23Å
174Q44.2Very low42.9Very low179 Ų179128.7 Ų128.784%0.83680%0.796SS**  trans-83.585.6168.2-159.8171.918.900107.2Q172 Q176Q172-Q174 PolarHBondContact O-N 2.87Å; Q174-Q176 PolarHBondContact O-N 3.27Å; Q174-Q176 VanDerWaalsContact O-N 3.12Å
175T42.5Very low42Very low130 Ų130125.1 Ų125.180%0.79880%0.795SS**  trans-76.7101.3173.4-43.10000108.8A173 A177A173-T175 PolarHBondContact O-N 3.23Å; T175-A177 PolarHBondContact O-N 3.1Å
176Q43.4Very low41.4Very low172 Ų172128.7 Ų128.780%0.80481%0.806SS**  trans-67.2112.6163.8-171.1176.9-6.100108.4Q174Q174-Q176 PolarHBondContact O-N 3.27Å; Q174-Q176 VanDerWaalsContact O-N 3.12Å
177A38.8Very low40.4Very low98 Ų98129.4 Ų129.481%0.8181%0.808SS**  trans-114.5105.2166.900000108T175T175-A177 PolarHBondContact O-N 3.1Å
178D37.6Very low39.6Very low150 Ų150126.9 Ų126.980%0.80280%0.804SS**  trans-92.3145.6170.9-148.8-38.7000108.9
179G34.5Very low39Very low60 Ų60127.6 Ų127.662%0.61980%0.803SS**  trans96.4101.4155.500000120.4
180Q35.6Very low38.5Very low203 Ų203130.3 Ų130.395%0.94981%0.805SS**  trans89.9104.1137.9-135.286.819.200120.1
181G31.8Very low38Very low75 Ų75131.5 Ų131.577%0.77380%0.804SS**  trans158.458.8155.600000119.3
182R36.2Very low37.4Very low259 Ų259131.9 Ų131.998%0.97781%0.807SS**  trans27.8114.1144.6-151179.5-164.8-111.93.6119
183G33.2Very low36.5Very low64 Ų64132 Ų13266%0.6681%0.807SS**  trans141.998.1141.600000118.6
184T39.1Very low36.2Very low151 Ų151131.8 Ų131.893%0.92681%0.806SS**  trans53.1121.5145.837.50000120.6
185G35.8Very low35.6Very low74 Ų74128.6 Ų128.676%0.76380%0.803SS**  trans-90.9178.9-171.700000117.2
186L38.5Very low35.3Very low173 Ų173134.3 Ų134.391%0.90681%0.811SS**  trans-161.4148.8151.5-122.6131.8000109.2
187V34.7Very low34.6Very low126 Ų126129.1 Ų129.176%0.76480%0.803SS**  trans-70.8141.2-168.2-157.50000111.3
188S35.8Very low34.6Very low114 Ų114129.8 Ų129.880%0.79780%0.802SS**  163.9129.8121.6-74.90000112.8
189A32.4Very low34.7Very low92 Ų92128.9 Ų128.976%0.7680%0.804SS**  trans-74.8164.5166.100000111.4
190V33.8Very low34.7Very low126 Ų126131.2 Ų131.276%0.76481%0.811SS**  trans127.1123.8142.81780000114.6
191L38.2Very low34.4Very low151 Ų151127.4 Ų127.479%0.79181%0.807SS**  trans70.492.4158.2-76.9157.4000119.1E193L191-E193 PolarHBondContact O-N 3.46Å
192A30.6Very low34.7Very low105 Ų105129 Ų12987%0.86880%0.804SS**  trans-6899.8149.800000109.2
193E28.1Very low34.8Very low178 Ų178122.8 Ų122.883%0.83280%0.798SS**  trans-73.6133.7158.5-88.3-156.7117.500109.7L191 S195L191-E193 PolarHBondContact O-N 3.46Å; E193-S195 PolarHBondContact O-N 3.23Å
194A35.9Very low34.6Very low88 Ų88123.1 Ų123.173%0.72780%0.802SS**  trans-64.392.1174.600000110.3W196A194-W196 PolarHBondContact O-N 3.16Å
195S31Very low34.1Very low112 Ų112123.7 Ų123.778%0.78380%0.799SS**  trans-66.8110.3164.8-171.70000108.2E193 G197E193-S195 PolarHBondContact O-N 3.23Å; S195-G197 PolarHBondContact O-N 3.06Å
196W35.7Very low33.7Very low250 Ų250131.7 Ų131.795%0.94781%0.806SS**  trans-67.378.2169.1-72.788.7000109.1A194 S198A194-W196 PolarHBondContact O-N 3.16Å; W196-S198 PolarHBondContact O-N 3.47Å
197G29.1Very low33.4Very low63 Ų63128 Ų12865%0.64980%0.8SS**PPolyproline II helixtrans-74.1119.517300000110S195S195-G197 PolarHBondContact O-N 3.06Å
198S39.2Very low33.2Very low112 Ų112126.5 Ų126.578%0.78380%0.801SS**PPolyproline II helixtrans-61139.5164.7-60.90000109.5W196 S200W196-S198 PolarHBondContact O-N 3.47Å; S198-S200 PolarHBondContact O-N 3.45Å
199P38.9Very low33.4Very low131 Ų131127.2 Ų127.285%0.85180%0.803SS**PPolyproline II helixtrans-66.4127.7178.924.2-30.1000110.6S201P199-S201 PolarHBondContact O-N 2.88Å
200S35.2Very low33.5Very low108 Ų108130.7 Ų130.776%0.75580%0.804SS**PPolyproline II helixtrans-62.5125.4177.853.50000111.4S198 C202S198-S200 PolarHBondContact O-N 3.45Å; S200-C202 PolarHBondContact O-N 2.78Å
201S29.4Very low33.6Very low123 Ų123135 Ų13586%0.8681%0.806SS**PPolyproline II helixtrans-55123.6169.3-163.20000110.7P199P199-S201 PolarHBondContact O-N 2.88Å
202C37Very low33.6Very low108 Ų108136.4 Ų136.473%0.7381%0.814SS**PPolyproline II helixtrans-82.6152.3167.9-68.20000110.6S200S200-C202 PolarHBondContact O-N 2.78Å
203P40Very low33.7Very low130 Ų130135 Ų13584%0.84481%0.809SS**PPolyproline II helixtrans-81156-177.433.3-33000112.6
204G28.1Very low33.7Very low71 Ų71138.8 Ų138.873%0.73282%0.815SS**  trans-87179.7-167.400000118.3
205D28.4Very low33.5Very low163 Ų163138 Ų13887%0.87282%0.816SS**  trans66.7110.9156.2-63.3-25.1000121
206R27.3Very low33.7Very low242 Ų242138.7 Ų138.791%0.91382%0.815SS**  -167.8120.9115.7-115.9178.8167.8-174.4-3.6115.3
207A33.2Very low33.9Very low95 Ų95135.5 Ų135.579%0.78581%0.811SS**  trans47.1123.6135.100000121.8
208A30.8Very low34.1Very low94 Ų94139.5 Ų139.578%0.77782%0.817SS**  trans-56.6164.5165.100000114.7
209P39.4Very low34.4Very low130 Ų130140 Ų14084%0.84482%0.816SS**  -132.8160.9118.736.2-25.3000114.2
210E33.8Very low34.4Very low165 Ų165140.4 Ų140.477%0.77181%0.811SS**  trans-71.2155.6-170.3-68.6-172.110400116.7
211R35.2Very low34.9Very low216 Ų216140.7 Ų140.782%0.81581%0.81SS**  trans59.4113.2140.5-74.6177.4178.6-87.6-1.7119.9
212L38.5Very low35.2Very low181 Ų181146.2 Ų146.295%0.94881%0.812SS**  -150.6126.4121.9-136.379.1000109.5
213G33.1Very low35.2Very low74 Ų74145.8 Ų145.876%0.76382%0.816SS**  trans-82.1168.1178.600000113
214R28.6Very low35.2Very low258 Ų258145.7 Ų145.797%0.97481%0.813SS**  trans133.3129.4143-166.4176.3-147.1-82.4-0.7112.1
215G31.9Very low36.1Very low72 Ų72147.7 Ų147.774%0.74281%0.813SS**  trans124.482.3154.400000114.9
216V34.7Very low37.2Very low127 Ų127145.7 Ų145.777%0.7781%0.809SS**  trans-53135.2166.7171.70000111.4
217H40.3Very low37.6Very low183 Ų183144.2 Ų144.285%0.84781%0.805SS**  -175.999.3125.4-90.7-68.2000107.3
218D32.5Very low38.1Very low146 Ų146145 Ų14578%0.78180%0.804SS**  trans-127.9132.5160.2-151.1-6.7000108.8
219T46.5Very low38.7Very low123 Ų123145.5 Ų145.576%0.75580%0.799SS**  trans-102.488.4-172.2-52.90000106.2P221T219-P221 WeakPolarHBondContact O-CD 3.42Å
220D38.8Very low38.6Very low140 Ų140148.8 Ų148.875%0.74980%0.8SS**  trans-77.5122.7174.5-90.2-43.5000110.8W222D220-W222 PolarHBondContact O-N 3.25Å
221P44.8Very low38.9Very low113 Ų113148.7 Ų148.773%0.73480%0.803SS**  trans-95.265.917337.6-28.4000108.9T219T219-P221 WeakPolarHBondContact O-CD 3.42Å
222W35.8Very low39Very low240 Ų240146.9 Ų146.991%0.90980%0.804SS**  trans-149.781.4167.4-127.157.4000110.1D220 T224D220-W222 PolarHBondContact O-N 3.25Å; W222-T224 PolarHBondContact O-N 3.08Å
223A38.2Very low39Very low99 Ų99143.5 Ų143.582%0.81880%0.795SS**PPolyproline II helixtrans-63.8121.5169.300000109.5
224T39.7Very low39.4Very low127 Ų127145.6 Ų145.678%0.77980%0.795SS**PPolyproline II helixtrans-47.1132164.9-46.80000110.4W222W222-T224 PolarHBondContact O-N 3.08Å
225P46.6Very low39.9Very low113 Ų113139 Ų13973%0.73479%0.786SS**PPolyproline II helixtrans-67.8137.6178.525.6-31.3000110.6
226P50.5Low39.9Very low121 Ų121145.7 Ų145.779%0.78679%0.79SS**PPolyproline II helixtrans-74.7133-177.830.1-31.9000110.8C228P226-C228 PolarHBondContact O-N 2.99Å
227Y35.8Very low39.8Very low212 Ų212145.5 Ų145.583%0.83180%0.795SS**  trans-22.5117.9160.4-176.1-99.4000115
228C44.2Very low39.7Very low112 Ų112140.9 Ų140.976%0.75778%0.783SS**  trans-77.5130.8172.2-66.60000111.2P226P226-C228 PolarHBondContact O-N 2.99Å
229P43.1Very low39.7Very low103 Ų103143.6 Ų143.667%0.66979%0.791SS**  trans-82123.4175.432.1-29.6000111I231P229-I231 PolarHBondContact O-N 3.28Å
230K38.2Very low38.9Very low200 Ų200140.9 Ų140.987%0.8779%0.787SS**  trans13.197.7145.2-156.2163.4-171167.40116.3
231I39.5Very low38.7Very low162 Ų162140.4 Ų140.483%0.83179%0.79SS**PPolyproline II helixtrans-88.4120164.3-48.2174.2000107.5P229P229-I231 PolarHBondContact O-N 3.28Å
232Q38.8Very low38.2Very low178 Ų178141.8 Ų141.883%0.83280%0.796SS**PPolyproline II helixtrans-67.1131.4173.1-67.3172.716.200109.5
233S37.3Very low38.4Very low110 Ų110135.9 Ų135.977%0.76979%0.792SS**PPolyproline II helixtrans-67.8143171.3-460000110.5
234P42.7Very low38.2Very low118 Ų118138.6 Ų138.677%0.76679%0.793SS**PPolyproline II helixtrans-66.7149.7171.1-12.326.7000110.8
235P38.7Very low37.9Very low120 Ų120136.6 Ų136.678%0.77979%0.789SS**PPolyproline II helixtrans-73.4143.5-176.531-32.4000111.5S237P235-S237 PolarHBondContact O-N 3.12Å
236Y31.4Very low37.6Very low212 Ų212136 Ų13683%0.83179%0.788SS**PPolyproline II helixtrans-51.1120.4164-162-101.4000110.5
237S32.9Very low36.9Very low124 Ų124137.3 Ų137.387%0.86779%0.787SS**  trans-101.2109165.4-77.60000109.1P235P235-S237 PolarHBondContact O-N 3.12Å
238S37.1Very low36.7Very low85 Ų85139.8 Ų139.859%0.59480%0.795SS**  trans-103.1120.1173.351.30000110.6
239Q33.8Very low36.7Very low203 Ų203139.9 Ų139.995%0.94979%0.792SS**  trans158.7134.8150.8-103174.9-13.900107.9
240G30Very low36.7Very low66 Ų66140 Ų14068%0.6879%0.793SS**  cis177.3139.91.600000108.1
241T34.1Very low36.7Very low131 Ų131137 Ų13780%0.80479%0.794SS**  trans34.7116.3146.8-470000120.1
242T33.6Very low36.9Very low141 Ų141138.2 Ų138.287%0.86580%0.796SS**  -156135.7114.251.40000111.3
243S40.1Very low36.4Very low116 Ų116132.9 Ų132.981%0.81179%0.789SS**  trans-57.4144.9177.9-43.70000114.6
244D34.8Very low36.5Very low157 Ų157133.8 Ų133.884%0.8479%0.794SS**  -155.2133.2112.7-160.64.2000110.2
245A33.5Very low36.4Very low84 Ų84134 Ų13469%0.69480%0.795SS**  trans-108.2124.9-179.900000106.9
246S39.4Very low36.3Very low102 Ų102139.2 Ų139.271%0.71380%0.799SS**  trans-157.798.9155.4-82.20000111.5
247L36.5Very low36.4Very low148 Ų148134.5 Ų134.578%0.77579%0.793SS**  61.487.5127.5-62.5156.1000117.2
248W30.9Very low36.7Very low263 Ų263137 Ų137100%0.99679%0.791SS**  trans-95.5108151-125.356.1000108.7
249T44.6Very low36.3Very low114 Ų114138.5 Ų138.570%0.69980%0.801SS**  trans-105.5137.3170.812.60000109.8
250P42.1Very low36.2Very low105 Ų105133.7 Ų133.768%0.68279%0.79SS**  trans-85.4141.1174.433.9-30.3000110.1Q252P250-Q252 PolarHBondContact O-N 3.38Å; P250-Q252 VanDerWaalsContact O-N 3.16Å
251P39.2Very low37.1Very low137 Ų137136.4 Ų136.489%0.8980%0.796SS**  trans-79.8103.6172.129.5-28.9000110
252Q43.3Very low37.6Very low188 Ų188137.2 Ų137.288%0.87979%0.79SS**  trans-97.1134.8154-85.5-87.223.300108.1P250P250-Q252 PolarHBondContact O-N 3.38Å; P250-Q252 VanDerWaalsContact O-N 3.16Å
253G28.9Very low38.2Very low66 Ų66136.3 Ų136.368%0.6879%0.787SS**  trans127.297.5156.900000116
254C38.9Very low37.9Very low130 Ų130140.2 Ų140.288%0.87878%0.784SS**  trans-65.8150.7151.6-61.20000110.1
255P40.8Very low38.2Very low121 Ų121139.7 Ų139.779%0.78678%0.781SS**  trans-136116.8132.723.4-4000112.7
256W35.6Very low39.1Very low231 Ų231140.7 Ų140.788%0.87578%0.78SS**  13.7125.3127.1-163.7-93.2000117.6
257T35.2Very low39.5Very low112 Ų112141.6 Ų141.669%0.68778%0.784SS**  175.8109.9116.8-550000112.3
258Q37.8Very low39.7Very low177 Ų177141.2 Ų141.283%0.82779%0.787SS**  trans57.1117132.1-143.9-170.410700123.6
259S28.2Very low40.2Very low117 Ų117133.5 Ų133.582%0.81877%0.771SS**  -164.7119.1121.658.50000111.9
260S32Very low40.2Very low101 Ų101140.3 Ų140.371%0.70678%0.784SS**  trans-70.9168.4167.6-147.90000110.7
261P49.3Very low39.7Very low124 Ų124141.6 Ų141.681%0.80579%0.79SS**  -136.7144.457.327.2-3.9000117.3
262E45.1Very low39.9Very low148 Ų148140.9 Ų140.969%0.69278%0.783SS**  trans-57.6154.8160.3-172.468.894.900112.9R264E262-R264 HydrophobicContact CG-CB 4.24Å; E262-R264 PolarHBondContact OE2-N 3.45Å
263P45.8Very low39.9Very low121 Ų121137.4 Ų137.479%0.78678%0.777SS**  -143.1104.1106.832.3-13.5000114.4
264R34.6Very low40.6Very low199 Ų199140.4 Ų140.475%0.75179%0.785SS**  44.1116111.8-178.3-174.8-95.6-123.30.7117.6E262E262-R264 HydrophobicContact CG-CB 4.24Å; E262-R264 PolarHBondContact OE2-N 3.45Å
265N40.4Very low40.5Very low145 Ų145138.5 Ų138.578%0.77578%0.778SS**  -178.2163.9118.5-100.2-38.4000113.4
266P53.3Low40.8Very low105 Ų105139.2 Ų139.268%0.68278%0.781SS**  trans-112.9-177.3-13344.6-34.5000114.9
267P46.5Very low41.3Very low121 Ų121135.7 Ų135.779%0.78678%0.778SS**  trans-100.2146.2-167.137-28.6000114
268V41.3Very low41.7Very low140 Ų140137.4 Ų137.485%0.84878%0.778SS**  trans-149.2165.1168.8-123.30000110.2
269P42.5Very low42Very low101 Ų101137.5 Ų137.566%0.65678%0.783SS**  -119.3173.1-127.518.49.3000112.9T271P269-T271 PolarHBondContact O-N 3.3Å
270W42.9Very low42.8Very low257 Ų257136.5 Ų136.597%0.97378%0.783SS**  trans-42.4125.7172.6-57.878.4000114.1
271T32.3Very low43.6Very low132 Ų132135.6 Ų135.681%0.8178%0.781SS**  trans-155.2137.3156.9-34.40000111P269P269-T271 PolarHBondContact O-N 3.3Å
272T42.4Very low43.5Very low122 Ų122135.7 Ų135.775%0.74878%0.779SS**PPolyproline II helixtrans-46.4151.1-176.8-38.40000116.1
273P43.6Very low43.5Very low116 Ų116139.3 Ų139.375%0.75379%0.788SS**PPolyproline II helixtrans-73.8147.1179.730-37000113.5
274P45.2Very low43.4Very low128 Ų128143 Ų14383%0.83180%0.795SS**PPolyproline II helixtrans-89.615315934.1-29.1000111.8
275A35.5Very low43.6Very low91 Ų91136.9 Ų136.975%0.75279%0.793SS**PPolyproline II helixtrans-69.9153.8-163.400000116.9
276T47.6Very low43.4Very low135 Ų135138.5 Ų138.583%0.82880%0.801SS**  23.1103.1130-34.60000118.3
277L45.8Very low43Very low158 Ų158139.3 Ų139.383%0.82781%0.809SS**  trans-167.3153136.1-150.964.3000109.2
278E43.8Very low42.6Very low148 Ų148140.3 Ų140.369%0.69281%0.813SS**  trans83.763.4166.1-69.3-73.3114.600119.1
279L43.1Very low42.6Very low178 Ų178139 Ų13993%0.93281%0.81SS**  trans-136.744.5144.6-87.8-179.7000110.9
280A45.4Very low42.9Very low97 Ų97139.1 Ų139.180%0.80281%0.811SS**  trans-111.835.5178.800000112.9
281A48.6Very low42.7Very low81 Ų81135.3 Ų135.367%0.66980%0.804SS**  trans-14547.5-176.400000114.8
282V48.5Very low42.7Very low126 Ų126133.9 Ų133.976%0.76480%0.799SS**SBendtrans-134.62169.1-178.30000114.9
283Y44.5Very low42.3Very low224 Ų224133.2 Ų133.288%0.87880%0.798SS**  trans-131.383.1175.1-89.1-89.2000112.8
284Q42.7Very low42.1Very low199 Ų199135.4 Ų135.493%0.9380%0.802SS**  trans-146.3113.8157.4-73.5-81.736.700108.3
285G40Very low41.8Very low70 Ų70134.7 Ų134.772%0.72280%0.801SS**  trans138.572.3156.300000116.4
286L36.4Very low41.8Very low180 Ų180139 Ų13994%0.94281%0.81SS**  trans-142.3106.5137-75-177.1000108.1
287S44.3Very low41.1Very low122 Ų122136 Ų13685%0.85381%0.807SS**  trans-80.1139.5-177.5-1700000110.8
288V38.9Very low40.8Very low141 Ų141133.3 Ų133.386%0.85581%0.807SS**  trans-85.9126.5176.2-140.70000108.4
289S41Very low41Very low113 Ų113131.8 Ų131.879%0.7981%0.81SS**  trans-116.3132.1171-1740000109.9
290P48.8Very low40.6Very low103 Ų103128.6 Ų128.667%0.66980%0.802SS**  trans-97.7150-177.536.2-30.4000113.9
291E38Very low40.4Very low178 Ų178131.8 Ų131.883%0.83281%0.805SS**  trans70126.1152.6-70.5-174.4100.300123.5
292S32.4Very low40.1Very low102 Ų102136 Ų13671%0.71382%0.815SS**  107.9132.8123.8-91.20000122
293C34.6Very low39.9Very low107 Ų107135.1 Ų135.172%0.72381%0.813SS**  trans100104.4148.5-63.50000121.7
294L38.4Very low39.7Very low162 Ų162132.7 Ų132.785%0.84881%0.809SS**  70.1120.9127.9-57.4176.7000122.5
295S40.1Very low39.7Very low113 Ų113128.4 Ų128.479%0.7980%0.798SS**  trans4.8131.8148.2-61.10000121.3
296L35.6Very low39.5Very low181 Ų181130 Ų13095%0.94880%0.798SS**  trans-163125.6134.5-14868.9000113
297G32.9Very low39.6Very low74 Ų74127.3 Ų127.376%0.76379%0.793SS**  trans10589.9146.100000118.6
298A39Very low39.4Very low100 Ų100129.7 Ų129.783%0.82679%0.791SS**  trans-74.7155.5151.300000110.4
299P46.8Very low39.3Very low116 Ų116134.3 Ų134.375%0.75379%0.793SS**  -137.8133.6125.631.9-16.3000114.9
300S35.6Very low39.1Very low111 Ų111136.4 Ų136.478%0.77679%0.794SS**  trans63.795.2134.2-50.90000121.3
301L42.2Very low38.6Very low165 Ų165138.5 Ų138.586%0.86480%0.795SS**  10124.8126.5-57.2174.2000118.4
302L41.2Very low38.7Very low168 Ų168136.1 Ų136.188%0.8880%0.795SS**  179163.6127.8-97.6167.9000110.6
303P45.5Very low38.9Very low109 Ų109138 Ų13871%0.70879%0.793SS**  -110164.2-111.639.9-31.8000115.9
304H39.7Very low39.2Very low172 Ų172138.4 Ų138.480%0.79679%0.792SS**  trans-48.7147.1169.7-121.4-65.5000114.1
305P42.9Very low39.5Very low109 Ų109136.3 Ų136.371%0.70879%0.788SS**  trans-112.6147.1133.531.8-25.3000111.2
306S34.4Very low39.4Very low103 Ų103142.4 Ų142.472%0.7279%0.794SS**  trans-65.6123.4-173.350.20000113.6Q308S306-Q308 PolarHBondContact O-N 3.5Å
307C38.8Very low39.2Very low124 Ų124136.9 Ų136.984%0.83878%0.781SS**  trans-77.7103.8165-65.20000109.5R309C307-R309 PolarHBondContact O-N 2.78Å
308Q41.4Very low39.3Very low173 Ų173138.7 Ų138.781%0.80878%0.781SS**  trans-63.4114.5165.8-77.5-179.314.800109.1S306 L310S306-Q308 PolarHBondContact O-N 3.5Å; Q308-L310 PolarHBondContact O-N 2.89Å
309R35.1Very low39Very low238 Ų238145.6 Ų145.690%0.89879%0.786SS**  trans-76.8101.6172177.5169.9-75.1-155.4-4.6108.4C307 Q311C307-R309 PolarHBondContact O-N 2.78Å; R309-Q311 PolarHBondContact O-N 3.22Å
310L38.1Very low38.4Very low156 Ų156144.9 Ų144.982%0.81778%0.783SS**  trans-69.1110.7167.3-70.3167.1000108.8Q308Q308-L310 PolarHBondContact O-N 2.89Å
311Q37.9Very low38.3Very low148 Ų148148.5 Ų148.569%0.69279%0.787SS**  trans-70.4132.9161.5-84-172.4-69.200109.3R309 Q313R309-Q311 PolarHBondContact O-N 3.22Å; Q311-Q313 PolarHBondContact O-N 3.02Å
312P40.6Very low37.8Very low128 Ų128146.5 Ų146.583%0.83179%0.787SS**  trans-78.2100.8158.2-6.123.5000108.5
313Q35.4Very low37.4Very low141 Ų141143.1 Ų143.166%0.65978%0.784SS**  trans-84.2117.2163.5-75.3-75.21.300107.9Q311Q311-Q313 PolarHBondContact O-N 3.02Å
314T41.1Very low37Very low115 Ų115147 Ų14771%0.70679%0.793SS**  trans-107.3107.6164.325.30000108.3
315P45.3Very low36.7Very low119 Ų119145.5 Ų145.577%0.77380%0.795SS**  trans-84.6111.8163.5-7.525.4000108.5G317P315-G317 PolarHBondContact O-N 2.84Å
316W37.4Very low36.3Very low240 Ų240146.7 Ų146.791%0.90980%0.8SS**  trans-56.2117.9166.7-71.479.6000109.4C318W316-C318 PolarHBondContact O-N 2.83Å
317G32.7Very low36.7Very low65 Ų65146.8 Ų146.867%0.6780%0.798SS**  trans-69.4105.2167.700000109.5P315 W319P315-G317 PolarHBondContact O-N 2.84Å; G317-W319 PolarHBondContact O-N 2.87Å
318C34.3Very low36.2Very low113 Ų113149 Ų14976%0.76480%0.802SS**  trans-68.3119.5167.2-171.30000108.2W316 S320W316-C318 PolarHBondContact O-N 2.83Å; C318-S320 PolarHBondContact O-N 3.43Å
319W32.7Very low35.8Very low245 Ų245144.9 Ų144.993%0.92879%0.792SS**  trans-71.696.1174.1-73.663.8000108.5G317 H321G317-W319 PolarHBondContact O-N 2.87Å; W319-H321 PolarHBondContact O-N 3.2Å
320S34Very low35.9Very low100 Ų100141.8 Ų141.870%0.69979%0.787SS**  trans-73.2117.7169.7-62.20000109.3C318 S322C318-S320 PolarHBondContact O-N 3.43Å; S320-S322 PolarHBondContact O-N 2.81Å; S320-S322 VanDerWaalsContact O-N 3.11Å
321H33.7Very low35.8Very low187 Ų187141.6 Ų141.687%0.86679%0.787SS**  trans-58.3111.8165-71.8-91.5000109.1W319 A323W319-H321 PolarHBondContact O-N 3.2Å; H321-A323 PolarHBondContact O-N 2.87Å
322S32Very low35.8Very low123 Ų123143.2 Ų143.286%0.8680%0.795SS**  trans-77.3106.2167.3-63.10000107.7S320S320-S322 PolarHBondContact O-N 2.81Å; S320-S322 VanDerWaalsContact O-N 3.11Å
323A32.4Very low35.4Very low98 Ų98140.5 Ų140.581%0.8179%0.79SS**PPolyproline II helixtrans-94.3128.7163.300000107.9H321H321-A323 PolarHBondContact O-N 2.87Å
324E38.3Very low35.9Very low191 Ų191140.3 Ų140.389%0.89380%0.801SS**PPolyproline II helixtrans-60.7142.2-172.5-67.1170.6108.600113.1
325V31.4Very low35.4Very low140 Ų140138.4 Ų138.485%0.84881%0.805SS**PPolyproline II helixtrans-69.2131.3169.7126.70000109.5
326V35.1Very low34.9Very low133 Ų133137.5 Ų137.581%0.80681%0.807SS**  trans-128.3130156.2-177.10000106.4
327P43.2Very low34.7Very low106 Ų106130.1 Ų130.169%0.68880%0.797SS**  trans-89136-178.333.9-29000110.2
328N27.4Very low34.8Very low171 Ų171137 Ų13791%0.91481%0.809SS**  trans-152.8149.6144.8-120.9-33000113
329S32.8Very low34.9Very low85 Ų85139.8 Ų139.859%0.59481%0.811SS**  trans-77.8161-159.8-1640000114.8
330E37.4Very low34.9Very low173 Ų173136.3 Ų136.381%0.80881%0.81SS**  trans67.3116.8158.5-74.31489300119.3
331D36Very low34.7Very low153 Ų153135.9 Ų135.982%0.81881%0.807SS**  -176.9161.887.5-165.642.4000111.2
332Q39.5Very low34.7Very low182 Ų182136 Ų13685%0.8581%0.808SS**  trans-80158.9-163.1-61.3-155.368.700116.7
333G30.7Very low34.6Very low71 Ų71135 Ų13573%0.73281%0.806SS**  trans163.1115157.600000114.6
334P47.5Very low34.8Very low136 Ų136135.8 Ų135.888%0.88381%0.806SS**  trans-96.8146.2179.435.5-28.7000111.7
335G29.8Very low35.6Very low76 Ų76132.1 Ų132.178%0.78480%0.799SS**  trans174116.8166.900000117.7
336A34.9Very low36.1Very low99 Ų99131.7 Ų131.782%0.81880%0.799SS**  trans79.493.7149.200000118.7
337A33.3Very low36.3Very low86 Ų86134.5 Ų134.571%0.71180%0.803SS**  trans-46.2142.3144.900000112.6
338F34Very low35.7Very low209 Ų209134.5 Ų134.592%0.91781%0.806SS**  trans-153.7114.6132.7-87.4-68.6000109.9
339Q36.4Very low35.9Very low171 Ų171132.1 Ų132.180%0.79980%0.803SS**  trans-69.3142.8158.2-69.9-121.547.500109.2
340L33.8Very low35.9Very low172 Ų172131.4 Ų131.490%0.90181%0.809SS**  trans-158.8133.8141.9-110.6160.4000111.6
341S30Very low35.9Very low92 Ų92131 Ų13164%0.64381%0.811SS**  trans-74.8152.2-167.4-48.80000114.8
342E32.3Very low36Very low190 Ų190135.3 Ų135.389%0.88882%0.816SS**  50.6111.6121.9-157.7156.7125.500120
343A31.5Very low35.7Very low100 Ų100136 Ų13683%0.82682%0.816SS**  trans-162.4116.8138.200000110.3
344S36Very low36Very low116 Ų116137.8 Ų137.881%0.81182%0.818SS**  trans-93.6-173.8162.8-59.40000110.2
345P53.9Low35.2Very low114 Ų114134.6 Ų134.674%0.7481%0.81SS**  -109-171.5-98.635.5-17.2000112.6
346P42.8Very low35.3Very low130 Ų130136.3 Ų136.384%0.84481%0.809SS**  trans-135146.2134.534.9-22.1000114.8
347Q38.8Very low35.7Very low192 Ų192137.7 Ų137.790%0.89781%0.809SS**  trans-76.9140.1167.2-59.1-170.7-11.300111
348S30.7Very low36Very low106 Ų106141.6 Ų141.674%0.74181%0.813SS**  trans-168.2117.8139.181.60000106.6
349S32.5Very low36.5Very low122 Ų122137.3 Ų137.385%0.85380%0.799SS**  108.9125.774.3-77.40000109
350G32.4Very low36.8Very low70 Ų70141.7 Ų141.772%0.72281%0.808SS**  trans-68.8162.3-162.400000116.7
351L37Very low37.2Very low164 Ų164141.8 Ų141.886%0.85980%0.804SS**  trans-133.2114.1141-76.1177.6000108.5
352R39Very low37.5Very low244 Ų244145.7 Ų145.792%0.92181%0.812SS**  trans-75.9116.7171.4-80.6-107152.2174-9.2108
353F33.3Very low37.6Very low195 Ų195143.8 Ų143.886%0.85581%0.808SS**  trans-99.4109.7157.3-84.7-77.6000108.8G355F353-G355 PolarHBondContact O-N 3.25Å
354S35.9Very low38.6Very low109 Ų109146.3 Ų146.376%0.76281%0.807SS**  trans-59.7115164.851.50000109.8
355G30.7Very low39Very low69 Ų69150.2 Ų150.271%0.71181%0.812SS**  trans-105.5107.9157.500000107.4F353 P357F353-G355 PolarHBondContact O-N 3.25Å; G355-P357 WeakPolarHBondContact O-CD 3.5Å
356C31.8Very low38.6Very low113 Ų113148.6 Ų148.676%0.76482%0.817SS**  trans-63.2131.6170.6-59.10000110
357P43.5Very low38.6Very low128 Ų128147 Ų14783%0.83182%0.815SS**  trans-107.299.5152.830.7-14.9000107.4G355G355-P357 WeakPolarHBondContact O-CD 3.5Å
358E40.1Very low39.2Very low167 Ų167146.9 Ų146.978%0.7881%0.814SS**  trans-128139.2171.9-142.9173155.100109.9
359L43.6Very low40Very low119 Ų119148.9 Ų148.962%0.62382%0.815SS**SBendtrans88.670.2166.1-58167000118.1
360W42.2Very low40.6Very low263 Ų263147 Ų147100%0.99682%0.815SS**SBendtrans-148.748.2132.7-73.4107.1000110.8
361Q42.5Very low41.8Very low175 Ų175149.3 Ų149.382%0.81881%0.809SS**  trans-128.245.2-178.8-168.251.276.700113.1
362E36.9Very low42Very low174 Ų174147.2 Ų147.281%0.81379%0.794SS**  trans-152.1108.2166.8-54.1-178.611900103.3
363D35.1Very low42.1Very low149 Ų149150.4 Ų150.480%0.79781%0.808SS**SBend-173.1158.664.1-167.89000108.7
364L51.1Low42.5Very low153 Ų153148.2 Ų148.280%0.80181%0.805SS**  trans95.675.4171.4-56.4153000116.8
365E44.7Very low42.9Very low198 Ų198150.2 Ų150.293%0.92581%0.808SS**  trans-38.2142.2134.5-70.9174.5121.400112.1
366G46.1Very low43.6Very low81 Ų81154.7 Ų154.784%0.83581%0.813SS**  trans107.748.1158.700000117.3
367A42.8Very low44.3Very low97 Ų97157.2 Ų157.280%0.80282%0.816SS**  trans-148.5100.9147.600000109.9L369A367-L369 PolarHBondContact O-N 3.24Å
368H50.2Low44.3Very low189 Ų189159 Ų15988%0.87582%0.815SS**  trans-44.4128.3158-92.1-107.2000109.3
369L48.3Very low44.6Very low147 Ų147158.5 Ų158.577%0.7782%0.817SS**  174.1101.3125.8-88.5156.9000108.3A367 I371A367-L369 PolarHBondContact O-N 3.24Å; L369-I371 PolarHBondContact O-N 3.43Å
370G45.9Very low44.7Very low82 Ų82161.3 Ų161.385%0.84583%0.831SS**  trans-64.2111.6157.700000108.4
371I56.2Low44.8Very low119 Ų119153.5 Ų153.561%0.6182%0.818SS**  trans-14295.3161.2-55.3176.8000103.8L369L369-I371 PolarHBondContact O-N 3.43Å
372F42.5Very low45Very low121 Ų121151.7 Ų151.753%0.53182%0.818SS.*  trans170.387.3151-76.4-55.2000103.8H134H134-F372 AromaticContact CE1-CD1 3.36Å; H134-F372 WeakPolarHBondContact CE1-CD1 3.31Å; H134-F372 AromaticContact CE1-CE1 3.69Å; H134-F372 AromaticContact CE1-CG 3.75Å; H134-F372 AromaticContact ND1-CD1 3.99Å; H134-F372 AromaticContact ND1-CG 3.95Å; H134-F372 AromaticContact NE2-CD1 3.74Å; H134-F372 AromaticContact NE2-CE1 3.58Å
373Y40.6Very low45.8Very low310 Ų310149.6 Ų149.6100%1.21682%0.819SS**  trans-85.30161.2-100.3-82000108.6

Retrieved 373 of 373 residues in 506.1 ms (Link to these results)