HAND2_HUMAN Loading...

Heart- and neural crest derivatives-expressed protein 2

Essential for cardiac morphogenesis, particularly for the formation of the right ventricle and of the aortic arch arteries. Required for vascular development and regulation of angiogenesis, possibly through a VEGF signaling pathway. Also plays an important role in limb development, particularly in the establishment of anterior-posterior polarization, acting as an upstream regulator of sonic hedgehog (SHH) induction in the limb bud. Is involved in the development of branchial arches, which give rise to unique structures in the head and neck. Binds DNA on E-box consensus sequence 5'-CANNTG-3' (By similarity).

AlphaFold DB , UniProt , Accession P61296, Species HUMAN (Homo sapiens, Human), Gene HAND2, Length 217 aa.

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(Predicted Aligned Error values between residue pairs)
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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
1M53.4Low61.6Low248 Ų248149.1 Ų149.1100%1.22286%0.862SS**  0100.20-63.9165.3110.200106.8
2S52.8Low60.8Low122 Ų122146.7 Ų146.785%0.85385%0.851SS**  trans-97123.1-177.3-56.10000109
3L62.6Low60.9Low179 Ų179146.2 Ų146.294%0.93785%0.85SS**  trans-118.397.6170.4-84.3164.3000108.2
4V62.8Low59.9Low142 Ų142146.6 Ų146.686%0.86184%0.84SS**  trans-89.1115.7164.7160.30000107
5G61.1Low59.8Low73 Ų73149.7 Ų149.775%0.75384%0.844SS**  trans-95.9115.8170.100000110.1
6G61.8Low58.8Low73 Ų73151.3 Ų151.375%0.75384%0.842SS**PPolyproline II helixtrans-80.1146.4176.400000113.1
7F63.3Low58.3Low209 Ų209146.9 Ų146.992%0.91784%0.839SS**PPolyproline II helixtrans-80.2137.6170.5-89-98000110.8
8P72Confident57.7Low120 Ų120151.3 Ų151.378%0.77984%0.842SS**PPolyproline II helixtrans-79.4133.8170.930.4-30.6000111.5
9H61Low57.5Low190 Ų190149.8 Ų149.888%0.8884%0.839SS**PPolyproline II helixtrans-82.4132.6177.3-147.8-95.1000109.8
10H62.5Low56.7Low170 Ų170151.9 Ų151.979%0.78784%0.84SS**PPolyproline II helixtrans-76.9141.4172.9-86.4-88.2000111
11P64.4Low56.2Low114 Ų114148.9 Ų148.974%0.7483%0.834SS**PPolyproline II helixtrans-80.2138.917631.6-31.5000111.5
12V51.9Low55.9Low120 Ų120142 Ų14273%0.72782%0.817SS**PPolyproline II helixtrans-77.7119.7170.3173.30000108.2
13V62.1Low55.4Low140 Ų140139.9 Ų139.985%0.84881%0.807SS**  trans-88.9110.1169.3-86.30000109.3
14H47.1Very low54.5Low153 Ų153135.7 Ų135.771%0.70880%0.798SS**  trans-84131159.5-75.6-96.9000108.2
15H57.7Low53.6Low192 Ų192133 Ų13389%0.88979%0.791SS**  trans-143.3121.2159.3-124.4-75.6000110.2
16E44.7Very low52.8Low176 Ų176133 Ų13382%0.82278%0.784SS**  trans-69.2156.9-178.7-61.7-81.9128.600113.2
17G49.9Very low51.9Low77 Ų77132.8 Ų132.879%0.79478%0.775SS**  trans121.293.8146.500000118.8
18Y46.8Very low50.9Low226 Ų226126.3 Ų126.389%0.88676%0.76SS**  trans-79.3158160.6-91.9-91.4000111.3
19P55.1Low49.5Very low122 Ų122124 Ų12479%0.79275%0.751SS**  -142.6129.991.730.8-11.6000113.3
20F41.7Very low48.7Very low192 Ų192118.4 Ų118.484%0.84274%0.737SS**  49.2119.393.2-171-103.7000114.6
21A45.8Very low47.9Very low88 Ų88112.8 Ų112.873%0.72772%0.721SS**  trans114.78.2152.800000122.2
22A46.9Very low47Very low103 Ų103111.7 Ų111.785%0.85172%0.721SS**SBendtrans-120.6-8-176.700000118.8
23A42.8Very low46.6Very low79 Ų79110.8 Ų110.865%0.65372%0.72SS**SBendtrans-109.5-0.8-172.500000116
24A43.4Very low45.6Very low91 Ų91113.8 Ų113.875%0.75272%0.716SS**Hα-helixtrans-74.4-24.9-178.100000113.6
25A44.1Very low45Very low85 Ų85112.6 Ų112.670%0.70272%0.723SS**Hα-helixtrans-78.5-23.4177.800000113.5A27A25-A27 VanDerWaalsContact C-N 3.32Å
26A43.4Very low44Very low74 Ų74108.1 Ų108.161%0.61271%0.713SS**Hα-helixtrans-75.4-21.3175.700000112.8
27A43.8Very low43.6Very low68 Ų68107.1 Ų107.156%0.56271%0.708SS**Hα-helixtrans-78.5-24.3-179.700000113.6A25A25-A27 VanDerWaalsContact C-N 3.32Å
28A42.4Very low43Very low72 Ų72112 Ų11260%0.59571%0.711SS**Hα-helixtrans-81.7-33.3-179.500000113A30 A31A28-A30 VanDerWaalsContact C-N 3.33Å; A28-A31 PolarHBondContact O-N 2.95Å
29A42.3Very low42.8Very low72 Ų72107.1 Ų107.160%0.59570%0.696SS**Hα-helixtrans-70.1-29.8173.900000112.5A31 A32A29-A31 PolarHBondContact O-N 3.17Å; A29-A32 PolarHBondContact O-N 2.82Å
30A44.7Very low42.4Very low72 Ų72104.6 Ų104.660%0.59568%0.676SS**THydrogen-bonded Turntrans-71.9-11.7176.600000114A28A28-A30 VanDerWaalsContact C-N 3.33Å
31A45.2Very low43.2Very low53 Ų53100.5 Ų100.544%0.43867%0.669SS.*THydrogen-bonded Turntrans-90.8-16.6178.500000113.6A28 A29 R34A28-A31 PolarHBondContact O-N 2.95Å; A29-A31 PolarHBondContact O-N 3.17Å; A31-R34 VanDerWaalsContact O-CD 3.23Å; A31-R34 WeakPolarHBondContact O-CD 3.43Å; A31-R34 VanDerWaalsContact O-CG 3.28Å; A31-R34 WeakPolarHBondContact O-CG 2.86Å
32A45.5Very low43.3Very low90 Ų90103.8 Ų103.874%0.74466%0.663SS**THydrogen-bonded Turntrans-95.3-9.7-175.500000114.8A29 R34A29-A32 PolarHBondContact O-N 2.82Å; A32-R34 PolarHBondContact O-N 3.2Å
33S43.5Very low43.4Very low101 Ų101106.6 Ų106.671%0.70666%0.657SS**THydrogen-bonded Turntrans-84.711.9170.2-59.70000113.4C35S33-C35 PolarHBondContact O-N 3.27Å
34R41.4Very low43.7Very low204 Ų204110 Ų11077%0.7766%0.658SS**  trans-80.256.7179.6-65.9178.7167.1-102-1111.5A31 A32A31-R34 VanDerWaalsContact O-CD 3.23Å; A31-R34 WeakPolarHBondContact O-CD 3.43Å; A31-R34 VanDerWaalsContact O-CG 3.28Å; A31-R34 WeakPolarHBondContact O-CG 2.86Å; A32-R34 PolarHBondContact O-N 3.2Å
35C33.9Very low44.3Very low127 Ų127109.1 Ų109.186%0.85866%0.658SS**SBendtrans-171.547.9169.6-107.60000112.2S33S33-C35 PolarHBondContact O-N 3.27Å
36S37.4Very low44.9Very low98 Ų98113.5 Ų113.569%0.68566%0.657SS**SBendtrans-144103.3168.9-65.30000109.4E38S36-E38 PolarHBondContact O-N 3.17Å
37H36.5Very low45.1Very low155 Ų155115.9 Ų115.972%0.71866%0.659SS**  trans23.989.9135.4-151.5-91.7000115.6E39H37-E39 VanDerWaalsContact CE1-CD 3.46Å; H37-E39 IonicContact CE1-OE1 3.67Å; H37-E39 PolarHBondContact CE1-OE1 3.13Å; H37-E39 VanDerWaalsContact CE1-OE1 3.22Å; H37-E39 IonicContact CE1-OE2 2.89Å; H37-E39 PolarHBondContact CE1-OE2 2.99Å; H37-E39 IonicContact CG-OE1 3.37Å; H37-E39 IonicContact ND1-OE1 2.98Å; H37-E39 PolarHBondContact ND1-OE1 2.95Å; H37-E39 IonicContact ND1-OE2 3.58Å; H37-E39 PolarHBondContact ND1-OE2 3.41Å
38E37.5Very low45.6Very low180 Ų180121 Ų12184%0.84168%0.675SS**  trans-129.988.7165.6-73.4-83.3122.700106.8S36 N40S36-E38 PolarHBondContact O-N 3.17Å; E38-N40 PolarHBondContact O-N 3.19Å
39E41Very low45.6Very low123 Ų123120.5 Ų120.558%0.57568%0.677SS**  trans-41.3120.9165.821.6-84.2100.300110.7H37 P41H37-E39 VanDerWaalsContact CE1-CD 3.46Å; H37-E39 IonicContact CE1-OE1 3.67Å; H37-E39 PolarHBondContact CE1-OE1 3.13Å; H37-E39 VanDerWaalsContact CE1-OE1 3.22Å; H37-E39 IonicContact CE1-OE2 2.89Å; H37-E39 PolarHBondContact CE1-OE2 2.99Å; H37-E39 IonicContact CG-OE1 3.37Å; H37-E39 IonicContact ND1-OE1 2.98Å; H37-E39 PolarHBondContact ND1-OE1 2.95Å; H37-E39 IonicContact ND1-OE2 3.58Å; H37-E39 PolarHBondContact ND1-OE2 3.41Å; E39-P41 WeakPolarHBondContact O-CD 3.26Å
40N47.1Very low45.7Very low69 Ų69123.6 Ų123.637%0.36968%0.679SS.*  trans-57.4108.4-176.4-173.928.3000111.3E38 Y42 F43E38-N40 PolarHBondContact O-N 3.19Å; N40-Y42 PolarHBondContact O-N 3.49Å; N40-Y42 WeakPolarHBondContact OD1-CB 3.24Å; N40-Y42 PolarHBondContact OD1-N 3.18Å; N40-F43 HydrophobicContact CB-CD2 3.75Å; N40-F43 HydrophobicContact CB-CE2 4.37Å; N40-F43 WeakPolarHBondContact ND2-CD2 3.48Å; N40-F43 WeakPolarHBondContact ND2-CE2 3.41Å; N40-F43 PolarHBondContact O-N 2.97Å
41P58.2Low45.9Very low107 Ų107126.6 Ų126.670%0.69569%0.692SS**THydrogen-bonded Turntrans-70.33.3177.929.9-32.6000112.2E39E39-P41 WeakPolarHBondContact O-CD 3.26Å
42Y49Very low45.8Very low157 Ų157131.3 Ų131.362%0.61671%0.705SS**THydrogen-bonded Turntrans-98.7-8177.9-73-89.1000115N40N40-Y42 PolarHBondContact O-N 3.49Å; N40-Y42 WeakPolarHBondContact OD1-CB 3.24Å; N40-Y42 PolarHBondContact OD1-N 3.18Å
43F48.5Very low45.9Very low162 Ų162135.1 Ų135.171%0.71171%0.709SS**SBendtrans-84.7-24.2177.8-90.7-60.8000114.3N40 G45N40-F43 HydrophobicContact CB-CD2 3.75Å; N40-F43 HydrophobicContact CB-CE2 4.37Å; N40-F43 WeakPolarHBondContact ND2-CD2 3.48Å; N40-F43 WeakPolarHBondContact ND2-CE2 3.41Å; N40-F43 PolarHBondContact O-N 2.97Å; F43-G45 VanDerWaalsContact C-N 3.27Å; F43-G45 PolarHBondContact O-N 3.47Å
44H49.5Very low45.9Very low149 Ų149134.9 Ų134.969%0.6971%0.708SS**THydrogen-bonded Turntrans-72.7-8.5-172.9-73.4-80.7000115.9
45G54.5Low46.7Very low73 Ų73130 Ų13075%0.75370%0.703SS**THydrogen-bonded Turntrans-88.5-4.9-172.600000116.7F43F43-G45 VanDerWaalsContact C-N 3.27Å; F43-G45 PolarHBondContact O-N 3.47Å
46W57.8Low47.6Very low177 Ų177129.4 Ų129.467%0.6770%0.697SS**SBendtrans-113.3-5.7-174.5-72.296.8000114.2I48 R111W46-I48 PolarHBondContact O-N 2.77Å; W46-R111 VanDerWaalsContact CZ2-NE 3.29Å
47L48.2Very low47.8Very low124 Ų124131.7 Ų131.765%0.64970%0.702SS**  trans-82.1101178.1-151.273.9000109.1G49L47-G49 VanDerWaalsContact C-N 3.29Å; L47-G49 PolarHBondContact O-N 2.89Å
48I53.9Low48.1Very low176 Ų176135 Ų13590%0.90371%0.709SS**THydrogen-bonded Turntrans-59.594.5162.4-63.3165.8000105.9W46W46-I48 PolarHBondContact O-N 2.77Å
49G42.9Very low48.2Very low62 Ų62130.8 Ų130.864%0.63970%0.7SS**THydrogen-bonded Turntrans143.325172.500000119.9L47 P51L47-G49 VanDerWaalsContact C-N 3.29Å; L47-G49 PolarHBondContact O-N 2.89Å; G49-P51 WeakPolarHBondContact O-CD 3.15Å
50H44.6Very low48.3Very low137 Ų137132.9 Ų132.963%0.63471%0.712SS**  trans-102.1109.2163-98.9-86.4000110.9E52H50-E52 PolarHBondContact O-N 3.17Å
51P48.1Very low48Very low134 Ų134133.8 Ų133.887%0.8773%0.729SS**  trans-80.920.6168.734.1-32.9000112.7G49G49-P51 WeakPolarHBondContact O-CD 3.15Å
52E42.6Very low47.1Very low152 Ų152136 Ų13671%0.7173%0.734SS**  trans-125.870.8-165.5-133.4-83.815000109.2H50H50-E52 PolarHBondContact O-N 3.17Å
53M48.4Very low46.6Very low170 Ų170133.7 Ų133.784%0.83774%0.741SS**  trans-160.866157.8-161.965.782.700107.5P55M53-P55 WeakPolarHBondContact O-CD 3.35Å
54S42.7Very low46Very low96 Ų96136.2 Ų136.267%0.67175%0.748SS**PPolyproline II helixtrans-62.5120.7163.2-170.20000107
55P57.7Low45.5Very low103 Ų103134 Ų13467%0.66975%0.749SS**PPolyproline II helixtrans-55.8133.7165.2-16.930.5000107.2M53 D57M53-P55 WeakPolarHBondContact O-CD 3.35Å; P55-D57 PolarHBondContact O-N 2.85Å
56P53.8Low45.3Very low114 Ų114134.9 Ų134.974%0.7474%0.741SS**PPolyproline II helixtrans-57.9135.7-178.924.8-31.7000108.2Y58P56-Y58 PolarHBondContact O-N 3.1Å
57D41Very low44.3Very low145 Ų145133 Ų13378%0.77574%0.74SS**  trans-36.4110.7174.2-52.1-63000109.7P55 S59P55-D57 PolarHBondContact O-N 2.85Å; D57-S59 PolarHBondContact O-N 2.73Å
58Y42.5Very low43.9Very low224 Ų224136.3 Ų136.388%0.87875%0.745SS**  trans-73.372.4170-148-88.6000107.1P56 M60P56-Y58 PolarHBondContact O-N 3.1Å; Y58-M60 PolarHBondContact O-N 3.16Å
59S40.3Very low43.3Very low92 Ų92132.2 Ų132.264%0.64374%0.737SS**  trans-58.4118.6167.6171.40000108.2D57D57-S59 PolarHBondContact O-N 2.73Å
60M42.7Very low43.2Very low167 Ų167135 Ų13582%0.82375%0.747SS**  trans7174.4137.3-138.9153.7-146.100116.7Y58Y58-M60 PolarHBondContact O-N 3.16Å
61A41.4Very low42.8Very low89 Ų89132.2 Ų132.274%0.73676%0.755SS**  trans-122.899.7152.200000109.4
62L39.6Very low42.4Very low152 Ų152130.8 Ų130.880%0.79675%0.754SS**  trans-41.7145.1172.3-75.1133.5000114.6
63S37.7Very low42.5Very low110 Ų110128.3 Ų128.377%0.76976%0.76SS**  trans75.691.8149.5-52.80000118.5
64Y35.8Very low42.2Very low215 Ų215124 Ų12484%0.84376%0.759SS**  -165.9100127-161.1-111000111P66Y64-P66 HydrophobicContact CE1-CG 3.98Å; Y64-P66 HydrophobicContact CE2-CG 4.08Å
65S39.7Very low42.7Very low102 Ų102127.2 Ų127.271%0.71377%0.768SS**  trans-130.3122.9160.2-179.60000106.7
66P50.1Low42Very low91 Ų91128.4 Ų128.459%0.59177%0.769SS**  trans-130.596.614915.75.8000109.4Y64Y64-P66 HydrophobicContact CE1-CG 3.98Å; Y64-P66 HydrophobicContact CE2-CG 4.08Å
67E37.8Very low41.8Very low138 Ų138131.1 Ų131.165%0.64577%0.771SS**  trans-84140.6158.3-63.3-149.9146.600109.7
68Y39Very low42.1Very low194 Ų194129.3 Ų129.376%0.76177%0.77SS**  trans4.1144.2164.753-98.3000120.5
69A40.5Very low42.5Very low89 Ų89126.9 Ų126.974%0.73677%0.766SS**  trans103.2128147.700000118.7
70S41.2Very low42.7Very low122 Ų122132.9 Ų132.985%0.85378%0.776SS**  trans8392.9146.9-61.90000118.5
71G36.9Very low42.7Very low77 Ų77128.9 Ų128.979%0.79478%0.778SS**  97.1125.310500000118
72A39.2Very low42.9Very low104 Ų104128 Ų12886%0.8678%0.778SS**  trans71.2105.1147.400000118.7
73A45Very low43.8Very low101 Ų101127.5 Ų127.584%0.83578%0.781SS**  145.3124.699.200000113
74G41.9Very low44.6Very low79 Ų79127.5 Ų127.581%0.81478%0.778SS**  trans73.4108147.500000117.7
75L54Low45Very low163 Ų163123.6 Ų123.685%0.85378%0.779SS**  173.814088-163.565.4000108.9
76D42.5Very low45.1Very low129 Ų129122.6 Ų122.669%0.6978%0.784SS**  trans-65.3142.3-174.758.2-72.4000114.6
77H50.4Low45.3Very low170 Ų170122.9 Ų122.979%0.78780%0.795SS**  -161110.4127-157.464.4000109.2
78S46.8Very low46Very low107 Ų107119.6 Ų119.675%0.74880%0.798SS**  trans-89.1121179.7-170.30000109.6
79H49.8Very low47.3Very low174 Ų174116 Ų11681%0.80680%0.799SS**  trans-134.3102.9161.4-147.7-80.3000109.9
80Y45.4Very low48.2Very low217 Ų217117.3 Ų117.385%0.85180%0.8SS**  trans1.3113.2164.8-96.1-102.4000119.7
81G42.4Very low48.5Very low83 Ų83115.3 Ų115.386%0.85680%0.798SS**  59.6105.2121.200000120.3
82G45.1Very low49.5Very low71 Ų71120.2 Ų120.273%0.73281%0.805SS**  trans-172.690.916400000114.5
83V59.3Low50.2Low141 Ų141118.8 Ų118.886%0.85580%0.801SS**  trans2.5160.4143.4-102.20000120
84P53.5Low50.9Low110 Ų110116.7 Ų116.771%0.71479%0.788SS**  cis-133-175.2-40.830-6.4000112.1
85P44Very low52Low134 Ų134118.9 Ų118.987%0.8779%0.789SS**  trans-83126.5-162.534.2-28.4000112.2
86G42.7Very low52.5Low80 Ų80122.1 Ų122.183%0.82579%0.79SS**  trans-178.462.2-178.200000114.4
87A53.3Low53.4Low97 Ų97120.7 Ų120.780%0.80279%0.787SS**  trans-163.366.1165.600000111.2
88G54.3Low54Low70 Ų70118.3 Ų118.372%0.72278%0.784SS**PPolyproline II helixtrans-69.9125.8158.300000108.2
89P64.4Low54.8Low119 Ų119122 Ų12277%0.77379%0.787SS**PPolyproline II helixtrans-67130.1175.426.3-30.1000108.9
90P60.8Low55.4Low116 Ų116123.9 Ų123.975%0.75379%0.787SS**PPolyproline II helixtrans-65.7138.3176.527.7-31.3000109.2L92P90-L92 PolarHBondContact O-N 2.8Å
91G47.7Very low56.9Low79 Ų79122 Ų12281%0.81478%0.778SS**  trans-43.6123.4-17400000114G93G91-G93 PolarHBondContact O-N 3.3Å
92L56.4Low58.8Low180 Ų180120.2 Ų120.294%0.94276%0.76SS**  trans-72.259.1169.5-64.3170.2000110.3P90 G94P90-L92 PolarHBondContact O-N 2.8Å; L92-G94 PolarHBondContact O-N 3.15Å; L92-G94 VanDerWaalsContact O-N 3.14Å
93G53.9Low60.5Low75 Ų75121.9 Ų121.977%0.77376%0.755SS**  trans-82.453.916700000110.6G91G91-G93 PolarHBondContact O-N 3.3Å
94G60.4Low61.8Low56 Ų56117.7 Ų117.758%0.57774%0.736SS**PPolyproline II helixtrans-65.313617900000111.2L92 R96L92-G94 PolarHBondContact O-N 3.15Å; L92-G94 VanDerWaalsContact O-N 3.14Å; G94-R96 PolarHBondContact O-N 3.41Å; G94-R96 VanDerWaalsContact O-N 3.14Å
95P64.9Low63.7Low126 Ų126117.1 Ų117.182%0.81873%0.727SS**PPolyproline II helixtrans-60.4120.3179.322.9-30.7000109.8
96R64.1Low66Low231 Ų231119 Ų11987%0.87272%0.717SS**PPolyproline II helixtrans-48.1135.2177.5-68.4-179.6-178.5-98.31.5110G94 V98G94-R96 PolarHBondContact O-N 3.41Å; G94-R96 VanDerWaalsContact O-N 3.14Å; R96-V98 PolarHBondContact O-N 3.36Å
97P62.3Low68.5Low98 Ų98121.6 Ų121.664%0.63671%0.705SS**  trans-64.3111.6-169.223.5-32.7000111.7K99P97-K99 PolarHBondContact O-N 3.3Å
98V63.2Low70.5Confident120 Ų120121 Ų12173%0.72769%0.686SS**THydrogen-bonded Turntrans-56.9-12.7175.5-1400000113.3R96 R100 R101R96-V98 PolarHBondContact O-N 3.36Å; V98-R100 PolarHBondContact O-N 2.8Å; V98-R101 WeakPolarHBondContact O-CB 3.19Å; V98-R101 PolarHBondContact O-N 2.8Å
99K62.8Low72.6Confident184 Ų184127 Ų12780%0.869%0.687SS**Hα-helixtrans-63.2-33.3-175.8-82.1171.9173.4177.70114.1P97 R101 G102P97-K99 PolarHBondContact O-N 3.3Å; K99-R101 PolarHBondContact O-N 3.2Å; K99-G102 PolarHBondContact O-N 3.28Å
100R62.9Low74.1Confident214 Ų214129.4 Ų129.481%0.80868%0.68SS**Hα-helixtrans-66.8-24.4177.7-68.9-166.3-177.6-115.22113V98 T103 A104V98-R100 PolarHBondContact O-N 2.8Å; R100-T103 PolarHBondContact O-OG1 3.39Å; R100-T103 VanDerWaalsContact O-OG1 3.06Å; R100-A104 PolarHBondContact O-N 3.28Å
101R77.4Confident75.9Confident179 Ų179128.6 Ų128.668%0.67566%0.662SS**Hα-helixtrans-72.6-31178.4-159.8172.7-174.7170.42.1111.9V98 K99 N105V98-R101 WeakPolarHBondContact O-CB 3.19Å; V98-R101 PolarHBondContact O-N 2.8Å; K99-R101 PolarHBondContact O-N 3.2Å; R101-N105 VanDerWaalsContact O-CB 3.28Å; R101-N105 WeakPolarHBondContact O-CB 3.45Å; R101-N105 PolarHBondContact O-N 2.79Å; R101-N105 PolarHBondContact O-ND2 3.26Å; R101-N105 PolarHBondContact O-OD1 3.49Å
102G80.7Confident78.3Confident45 Ų45127.4 Ų127.446%0.46464%0.639SS.*Hα-helixtrans-65.3-43.1-18000000113.1K99 R106K99-G102 PolarHBondContact O-N 3.28Å; G102-R106 WeakPolarHBondContact O-CB 2.99Å; G102-R106 PolarHBondContact O-N 2.79Å
103T81.6Confident80.3Confident105 Ų105124.8 Ų124.864%0.64462%0.622SS**Hα-helixtrans-68.6-44178.355.60000111.5R100 R106 K107R100-T103 PolarHBondContact O-OG1 3.39Å; R100-T103 VanDerWaalsContact O-OG1 3.06Å; T103-R106 PolarHBondContact O-N 2.77Å; T103-K107 PolarHBondContact O-N 3.22Å
104A87.2Confident82.4Confident54 Ų54125.1 Ų125.145%0.44661%0.613SS.*Hα-helixtrans-60.6-46.8175.400000112.2R100 R106 K107 E108R100-A104 PolarHBondContact O-N 3.28Å; A104-R106 VanDerWaalsContact C-N 3.31Å; A104-R106 PolarHBondContact O-N 3.35Å; A104-K107 WeakPolarHBondContact O-CB 3.21Å; A104-K107 PolarHBondContact O-N 2.84Å; A104-K107 VanDerWaalsContact O-N 3.11Å; A104-E108 PolarHBondContact O-N 3.14Å
105N93.2Very high84.2Confident97 Ų97125.6 Ų125.652%0.51960%0.601SS.*Hα-helixtrans-61.9-39.1177.7-71-4.5000112R101 K107 E108 R109R101-N105 VanDerWaalsContact O-CB 3.28Å; R101-N105 WeakPolarHBondContact O-CB 3.45Å; R101-N105 PolarHBondContact O-N 2.79Å; R101-N105 PolarHBondContact O-ND2 3.26Å; R101-N105 PolarHBondContact O-OD1 3.49Å; N105-K107 VanDerWaalsContact C-N 3.33Å; N105-E108 PolarHBondContact O-N 2.94Å; N105-R109 PolarHBondContact O-N 2.98Å
106R92.8Very high85.7Confident174 Ų174122.9 Ų122.966%0.65758%0.58SS**Hα-helixtrans-63.7-40.1174.9-177.1175.8-69.8-177-2.4111.3G102 T103 A104 R110G102-R106 WeakPolarHBondContact O-CB 2.99Å; G102-R106 PolarHBondContact O-N 2.79Å; T103-R106 PolarHBondContact O-N 2.77Å; A104-R106 VanDerWaalsContact C-N 3.31Å; A104-R106 PolarHBondContact O-N 3.35Å; R106-R110 WeakPolarHBondContact O-CG 3.5Å; R106-R110 PolarHBondContact O-N 3.45Å; R106-R110 VanDerWaalsContact O-N 3.15Å
107K94.7Very high87.3Confident135 Ų135114.6 Ų114.659%0.58756%0.557SS**Hα-helixtrans-63.3-47.6176.3-171.5177.4-179.6179.30111.6T103 A104 N105 R109 R110 R111T103-K107 PolarHBondContact O-N 3.22Å; A104-K107 WeakPolarHBondContact O-CB 3.21Å; A104-K107 PolarHBondContact O-N 2.84Å; A104-K107 VanDerWaalsContact O-N 3.11Å; N105-K107 VanDerWaalsContact C-N 3.33Å; K107-R109 VanDerWaalsContact C-N 3.33Å; K107-R109 PolarHBondContact O-N 3.14Å; K107-R110 WeakPolarHBondContact O-CB 3.34Å; K107-R110 PolarHBondContact O-N 2.97Å; K107-R110 VanDerWaalsContact O-N 3.17Å; K107-R111 PolarHBondContact O-N 2.86Å
108E95.3Very high89.1Confident84 Ų84112.4 Ų112.439%0.39355%0.547SS..Hα-helixtrans-65-36.6179.3-174.753.8-144.800112.4A104 N105 R110 R111 T112A104-E108 PolarHBondContact O-N 3.14Å; N105-E108 PolarHBondContact O-N 2.94Å; E108-R110 VanDerWaalsContact C-N 3.34Å; E108-R110 PolarHBondContact O-N 2.83Å; E108-R111 PolarHBondContact O-N 3.15Å; E108-R111 IonicContact OE1-NH1 3.22Å; E108-R111 PolarHBondContact OE1-NH1 3.5Å; E108-R111 WeakPolarHBondContact OE2-CD 3.16Å; E108-R111 IonicContact OE2-NH1 2.67Å; E108-T112 WeakPolarHBondContact O-CB 3.31Å; E108-T112 PolarHBondContact O-N 3.44Å; E108-T112 PolarHBondContact O-OG1 3.17Å; E108-T112 VanDerWaalsContact O-OG1 3.09Å; E108-T112 PolarHBondContact OE1-OG1 3.01Å
109R97.2Very high90.7Very high197 Ų197108.3 Ų108.374%0.74352%0.52SS*.Hα-helixtrans-60.9-43.4173.4-179176.1-80.4154.3-5.6111.7N105 K107 T112 Q113N105-R109 PolarHBondContact O-N 2.98Å; K107-R109 VanDerWaalsContact C-N 3.33Å; K107-R109 PolarHBondContact O-N 3.14Å; R109-T112 PolarHBondContact O-N 3.35Å; R109-Q113 WeakPolarHBondContact O-CB 3.5Å; R109-Q113 PolarHBondContact O-N 3.48Å
110R96.9Very high92.3Very high168 Ų168101.5 Ų101.563%0.63450%0.498SS*.Hα-helixtrans-63.1-44.9175.7-73.7-178.7175.4-168.5-2.5111.8R106 K107 E108 T112 Q113 S114R106-R110 WeakPolarHBondContact O-CG 3.5Å; R106-R110 PolarHBondContact O-N 3.45Å; R106-R110 VanDerWaalsContact O-N 3.15Å; K107-R110 WeakPolarHBondContact O-CB 3.34Å; K107-R110 PolarHBondContact O-N 2.97Å; K107-R110 VanDerWaalsContact O-N 3.17Å; E108-R110 VanDerWaalsContact C-N 3.34Å; E108-R110 PolarHBondContact O-N 2.83Å; R110-T112 PolarHBondContact O-N 3.5Å; R110-Q113 PolarHBondContact O-N 3.44Å; R110-S114 PolarHBondContact O-N 2.84Å
111R97.9Very high93.9Very high100 Ų10097 Ų9738%0.37749%0.486SS..Hα-helixtrans-57.2-49174.6178.8179.8172.2-100.11.1111.5W46 K107 E108 Q113 S114 I115W46-R111 VanDerWaalsContact CZ2-NE 3.29Å; K107-R111 PolarHBondContact O-N 2.86Å; E108-R111 PolarHBondContact O-N 3.15Å; E108-R111 IonicContact OE1-NH1 3.22Å; E108-R111 PolarHBondContact OE1-NH1 3.5Å; E108-R111 WeakPolarHBondContact OE2-CD 3.16Å; E108-R111 IonicContact OE2-NH1 2.67Å; R111-Q113 VanDerWaalsContact C-N 3.32Å; R111-Q113 PolarHBondContact O-N 2.95Å; R111-S114 PolarHBondContact O-N 3.27Å; R111-I115 HydrophobicContact CG-CD1 4.14Å; R111-I115 WeakPolarHBondContact O-CG1 3.45Å; R111-I115 PolarHBondContact O-N 3.41Å
112T98Very high94.8Very high53 Ų5391.3 Ų91.333%0.32547%0.468SS..Hα-helixtrans-61.7-39.1177.4-64.40000112.1E108 R109 R110 I115 N116E108-T112 WeakPolarHBondContact O-CB 3.31Å; E108-T112 PolarHBondContact O-N 3.44Å; E108-T112 PolarHBondContact O-OG1 3.17Å; E108-T112 VanDerWaalsContact O-OG1 3.09Å; E108-T112 PolarHBondContact OE1-OG1 3.01Å; R109-T112 PolarHBondContact O-N 3.35Å; R110-T112 PolarHBondContact O-N 3.5Å; T112-I115 PolarHBondContact O-N 3.21Å; T112-N116 WeakPolarHBondContact O-CB 3.41Å; T112-N116 PolarHBondContact O-N 2.87Å; T112-N116 PolarHBondContact O-ND2 2.98Å
113Q98.2Very high95.5Very high126 Ų12692.7 Ų92.759%0.58946%0.46SS*.Hα-helixtrans-63.1-45.9176.2-174.9173.18.400111.6R109 R110 R111 I115 N116 S117R109-Q113 WeakPolarHBondContact O-CB 3.5Å; R109-Q113 PolarHBondContact O-N 3.48Å; R110-Q113 PolarHBondContact O-N 3.44Å; R111-Q113 VanDerWaalsContact C-N 3.32Å; R111-Q113 PolarHBondContact O-N 2.95Å; Q113-I115 VanDerWaalsContact C-N 3.34Å; Q113-I115 PolarHBondContact O-N 3.45Å; Q113-N116 PolarHBondContact O-N 3.38Å; Q113-N116 VanDerWaalsContact O-N 3.13Å; Q113-S117 PolarHBondContact O-N 2.98Å; Q113-S117 PolarHBondContact O-OG 3.24Å
114S98.2Very high96.2Very high82 Ų8295.4 Ų95.457%0.57347%0.465SS*.Hα-helixtrans-57.5-45.4175.1168.10000112R110 R111 N116 S117 A118R110-S114 PolarHBondContact O-N 2.84Å; R111-S114 PolarHBondContact O-N 3.27Å; S114-N116 VanDerWaalsContact C-N 3.34Å; S114-N116 PolarHBondContact O-N 2.94Å; S114-S117 PolarHBondContact O-N 3.33Å; S114-A118 PolarHBondContact O-N 2.98Å; S114-A118 VanDerWaalsContact O-N 3.07Å
115I98.1Very high96.6Very high66 Ų6696.7 Ų96.734%0.33847%0.47SS..Hα-helixtrans-61-43.5175.2-66.7165000111R111 T112 Q113 S117 A118 F119R111-I115 HydrophobicContact CG-CD1 4.14Å; R111-I115 WeakPolarHBondContact O-CG1 3.45Å; R111-I115 PolarHBondContact O-N 3.41Å; T112-I115 PolarHBondContact O-N 3.21Å; Q113-I115 VanDerWaalsContact C-N 3.34Å; Q113-I115 PolarHBondContact O-N 3.45Å; I115-S117 VanDerWaalsContact C-N 3.33Å; I115-S117 PolarHBondContact O-N 3.46Å; I115-A118 PolarHBondContact O-N 3.04Å; I115-F119 HydrophobicContact CG2-CD2 3.81Å; I115-F119 HydrophobicContact CG2-CE2 3.86Å; I115-F119 WeakPolarHBondContact O-CD2 3.3Å; I115-F119 PolarHBondContact O-N 2.95Å
116N97.9Very high96.6Very high69 Ų6992.4 Ų92.437%0.36945%0.447SS..Hα-helixtrans-67-33.7-179.5-70.5-26.3000112.6T112 Q113 S114 F119 A120 K137T112-N116 WeakPolarHBondContact O-CB 3.41Å; T112-N116 PolarHBondContact O-N 2.87Å; T112-N116 PolarHBondContact O-ND2 2.98Å; Q113-N116 PolarHBondContact O-N 3.38Å; Q113-N116 VanDerWaalsContact O-N 3.13Å; S114-N116 VanDerWaalsContact C-N 3.34Å; S114-N116 PolarHBondContact O-N 2.94Å; N116-F119 WeakPolarHBondContact O-CB 3.49Å; N116-F119 PolarHBondContact O-N 3.27Å; N116-A120 PolarHBondContact O-N 3.27Å; N116-A120 VanDerWaalsContact O-N 3.09Å; N116-K137 PolarHBondContact OD1-NZ 3.32Å
117S97.9Very high96.7Very high57 Ų5785.9 Ų85.940%0.39943%0.427SS..Hα-helixtrans-63.9-47.5171.6-64.30000111.5Q113 S114 I115 F119 A120 E121Q113-S117 PolarHBondContact O-N 2.98Å; Q113-S117 PolarHBondContact O-OG 3.24Å; S114-S117 PolarHBondContact O-N 3.33Å; I115-S117 VanDerWaalsContact C-N 3.33Å; I115-S117 PolarHBondContact O-N 3.46Å; S117-F119 VanDerWaalsContact C-N 3.26Å; S117-F119 PolarHBondContact O-N 3.46Å; S117-A120 WeakPolarHBondContact O-CA 3.35Å; S117-A120 VanDerWaalsContact O-CB 3.29Å; S117-A120 WeakPolarHBondContact O-CB 3.31Å; S117-A120 PolarHBondContact O-N 3.07Å; S117-E121 PolarHBondContact O-N 3.02Å
118A98.1Very high96.4Very high52 Ų5284.7 Ų84.743%0.4343%0.427SS..Hα-helixtrans-60.1-36174.800000112.4S114 I115 A120 L122S114-A118 PolarHBondContact O-N 2.98Å; S114-A118 VanDerWaalsContact O-N 3.07Å; I115-A118 PolarHBondContact O-N 3.04Å; A118-A120 VanDerWaalsContact C-N 3.29Å; A118-A120 PolarHBondContact O-N 2.85Å; A118-L122 WeakPolarHBondContact O-CB 3.46Å; A118-L122 PolarHBondContact O-N 2.91Å
119F98.1Very high96.1Very high34 Ų3482.2 Ų82.215%0.14942%0.417CS..Hα-helixtrans-64.7-30.6171-95.5-79.5000112.8I115 N116 S117 R123 K137 T140 L141I115-F119 HydrophobicContact CG2-CD2 3.81Å; I115-F119 HydrophobicContact CG2-CE2 3.86Å; I115-F119 WeakPolarHBondContact O-CD2 3.3Å; I115-F119 PolarHBondContact O-N 2.95Å; N116-F119 WeakPolarHBondContact O-CB 3.49Å; N116-F119 PolarHBondContact O-N 3.27Å; S117-F119 VanDerWaalsContact C-N 3.26Å; S117-F119 PolarHBondContact O-N 3.46Å; F119-R123 WeakPolarHBondContact O-CG 3.45Å; F119-R123 PolarHBondContact O-N 3.17Å; F119-R123 PolarHBondContact O-NH1 2.92Å; F119-K137 HydrophobicContact CD1-CG 4.37Å; F119-K137 HydrophobicContact CE1-CB 3.87Å; F119-K137 HydrophobicContact CE1-CG 4.06Å; F119-K137 HydrophobicContact CE2-CD 4.33Å; F119-K137 HydrophobicContact CE2-CG 4.48Å; F119-K137 HydrophobicContact CZ-CB 4.03Å; F119-K137 HydrophobicContact CZ-CD 4.29Å; F119-K137 HydrophobicContact CZ-CG 4.13Å; F119-T140 HydrophobicContact CD1-CG2 4.16Å; F119-L141 HydrophobicContact CE1-CD2 4.23Å; F119-L141 HydrophobicContact CE1-CG 4.17Å; F119-L141 HydrophobicContact CZ-CD2 4.37Å; F119-L141 HydrophobicContact CZ-CG 4.43Å
120A95.6Very high95.7Very high40 Ų4076 Ų7633%0.33140%0.402SS..Hα-helixtrans-70.8-48.2176.700000110.8N116 S117 A118 L122 R123 E124N116-A120 PolarHBondContact O-N 3.27Å; N116-A120 VanDerWaalsContact O-N 3.09Å; S117-A120 WeakPolarHBondContact O-CA 3.35Å; S117-A120 VanDerWaalsContact O-CB 3.29Å; S117-A120 WeakPolarHBondContact O-CB 3.31Å; S117-A120 PolarHBondContact O-N 3.07Å; A118-A120 VanDerWaalsContact C-N 3.29Å; A118-A120 PolarHBondContact O-N 2.85Å; A120-L122 VanDerWaalsContact C-N 3.29Å; A120-L122 PolarHBondContact O-N 3.5Å; A120-R123 WeakPolarHBondContact O-CB 3.21Å; A120-R123 PolarHBondContact O-N 3.42Å; A120-E124 PolarHBondContact O-N 3.19Å
121E96.4Very high95Very high121 Ų12173.3 Ų73.357%0.56542%0.417SS*.Hα-helixtrans-55.6-45173.3-67.1166.4-15500111.1S117 R123 E124 C125S117-E121 PolarHBondContact O-N 3.02Å; E121-R123 PolarHBondContact O-N 2.88Å; E121-E124 WeakPolarHBondContact O-CB 3.48Å; E121-E124 PolarHBondContact O-N 2.9Å; E121-E124 VanDerWaalsContact O-N 3.08Å; E121-C125 PolarHBondContact O-N 3.34Å; E121-C125 PolarHBondContact O-SG 3.24Å; E121-C125 VanDerWaalsContact O-SG 3.42Å
122L97.5Very high94.5Very high58 Ų5875 Ų7530%0.30443%0.433SS..Hα-helixtrans-60.8-29.9176.3-176.559.1000113.3A118 A120 I126 T140 L141 A144A118-L122 WeakPolarHBondContact O-CB 3.46Å; A118-L122 PolarHBondContact O-N 2.91Å; A120-L122 VanDerWaalsContact C-N 3.29Å; A120-L122 PolarHBondContact O-N 3.5Å; L122-I126 WeakPolarHBondContact O-CG1 3.47Å; L122-T140 HydrophobicContact CB-CG2 4.27Å; L122-T140 HydrophobicContact CD2-CG2 3.73Å; L122-T140 HydrophobicContact CG-CG2 3.76Å; L122-L141 HydrophobicContact CD2-CD2 4.44Å; L122-A144 HydrophobicContact CD1-CB 3.86Å; L122-A144 HydrophobicContact CD2-CB 4.33Å; L122-A144 HydrophobicContact CG-CB 4.3Å
123R95.6Very high94Very high74 Ų7474.5 Ų74.528%0.27943%0.43SS..Hα-helixtrans-72.9-33176.7-71.6177.7-163.8923.4112F119 A120 E121 C125 I126 L135 T140F119-R123 WeakPolarHBondContact O-CG 3.45Å; F119-R123 PolarHBondContact O-N 3.17Å; F119-R123 PolarHBondContact O-NH1 2.92Å; A120-R123 WeakPolarHBondContact O-CB 3.21Å; A120-R123 PolarHBondContact O-N 3.42Å; E121-R123 PolarHBondContact O-N 2.88Å; R123-C125 PolarHBondContact O-N 3.37Å; R123-I126 PolarHBondContact O-N 3.47Å; R123-L135 HydrophobicContact CG-CB 4.43Å; R123-L135 HydrophobicContact CG-CD1 4.29Å; R123-L135 PolarHBondContact NE-O 3.45Å; R123-T140 HydrophobicContact CG-CG2 3.86Å; R123-T140 PolarHBondContact NE-OG1 3.41Å
124E94.9Very high93.6Very high163 Ų16378 Ų7876%0.76244%0.443SS*.Hα-helixtrans-67.2-28.9177.2-64.5172.1-170.300111.6A120 E121 I126A120-E124 PolarHBondContact O-N 3.19Å; E121-E124 WeakPolarHBondContact O-CB 3.48Å; E121-E124 PolarHBondContact O-N 2.9Å; E121-E124 VanDerWaalsContact O-N 3.08Å; E124-I126 VanDerWaalsContact C-N 3.32Å; E124-I126 PolarHBondContact O-N 3.02Å
125C95.3Very high93.3Very high80 Ų8074.8 Ų74.854%0.54142%0.419SS..THydrogen-bonded Turntrans-76.6-11.4176.1-56.40000114.6E121 R123 P127 Y147E121-C125 PolarHBondContact O-N 3.34Å; E121-C125 PolarHBondContact O-SG 3.24Å; E121-C125 VanDerWaalsContact O-SG 3.42Å; R123-C125 PolarHBondContact O-N 3.37Å; C125-P127 WeakPolarHBondContact O-CD 3.43Å; C125-Y147 WeakPolarHBondContact O-CE1 3.22Å
126I95Very high93.1Very high8 Ų874.5 Ų74.54%0.04142%0.423CS..SBendtrans-88.9115.7-178-62.2166.2000109.3L122 R123 E124 V129 L135 T140 L143 F167L122-I126 WeakPolarHBondContact O-CG1 3.47Å; R123-I126 PolarHBondContact O-N 3.47Å; E124-I126 VanDerWaalsContact C-N 3.32Å; E124-I126 PolarHBondContact O-N 3.02Å; I126-V129 HydrophobicContact CB-CG2 4.32Å; I126-V129 HydrophobicContact CG2-CG2 3.58Å; I126-L135 HydrophobicContact CD1-CD1 3.95Å; I126-T140 HydrophobicContact CD1-CG2 3.94Å; I126-L143 HydrophobicContact CD1-CB 3.88Å; I126-L143 HydrophobicContact CG1-CB 4.44Å; I126-L143 HydrophobicContact CG2-CB 3.98Å; I126-L143 HydrophobicContact CG2-CD1 4.28Å; I126-F167 HydrophobicContact CG2-CE1 4.45Å
127P94.2Very high93Very high36 Ų3676.3 Ų76.323%0.23443%0.428CS..THydrogen-bonded Turntrans-74.1160.2-178.927.2-30000112.4C125 V129 Y147 F167C125-P127 WeakPolarHBondContact O-CD 3.43Å; P127-V129 PolarHBondContact O-N 3.45Å; P127-Y147 HydrophobicContact CG-CD1 4.5Å; P127-Y147 HydrophobicContact CG-CD2 3.82Å; P127-Y147 HydrophobicContact CG-CE1 4.24Å; P127-Y147 HydrophobicContact CG-CE2 3.55Å; P127-Y147 HydrophobicContact CG-CG 4.31Å; P127-F167 HydrophobicContact CG-CD1 3.65Å; P127-F167 HydrophobicContact CG-CE1 4.2Å; P127-F167 HydrophobicContact CG-CG 4.32Å
128N89.1Confident93Very high111 Ų11178 Ų7859%0.59443%0.432SS*.THydrogen-bonded Turntrans60.527175.4-58.6-40000114.7F167 A169N128-F167 PolarHBondContact ND2-O 3.24Å; N128-A169 HydrophobicContact CB-CB 4.48Å
129V88.4Confident92.8Very high31 Ų3178.1 Ų78.119%0.18842%0.422CS..  trans-108.1118.5170-179.60000108.7I126 P127 A131 T133 L135 L143 A169 I171I126-V129 HydrophobicContact CB-CG2 4.32Å; I126-V129 HydrophobicContact CG2-CG2 3.58Å; P127-V129 PolarHBondContact O-N 3.45Å; V129-A131 PolarHBondContact O-N 3.49Å; V129-T133 HydrophobicContact CG1-CG2 4.12Å; V129-L135 HydrophobicContact CG1-CD1 3.99Å; V129-L135 HydrophobicContact CG1-CD2 4.28Å; V129-L135 HydrophobicContact CG1-CG 4.08Å; V129-L135 HydrophobicContact CG2-CD1 4.17Å; V129-L143 HydrophobicContact CG2-CD1 4.44Å; V129-A169 HydrophobicContact CG2-CB 3.84Å; V129-I171 HydrophobicContact CB-CD1 4.21Å; V129-I171 HydrophobicContact CG1-CD1 4.05Å; V129-I171 HydrophobicContact CG2-CD1 4.01Å; V129-I171 HydrophobicContact CG2-CG1 4.49Å
130P88Confident92.7Very high66 Ų6676.5 Ų76.543%0.42942%0.415SS..  trans-57.2138.8175-25.335000111.4D132 T133P130-D132 WeakPolarHBondContact CB-OD1 3.4Å; P130-D132 PolarHBondContact O-N 3.1Å; P130-D132 VanDerWaalsContact O-N 3.11Å; P130-T133 VanDerWaalsContact O-CB 3.22Å; P130-T133 WeakPolarHBondContact O-CB 3.28Å; P130-T133 PolarHBondContact O-N 2.95Å
131A83Confident92.8Very high113 Ų11378.6 Ų78.693%0.93442%0.42SS*.THydrogen-bonded Turntrans-61.5-23.1-174.600000113.9V129 T133V129-A131 PolarHBondContact O-N 3.49Å; A131-T133 VanDerWaalsContact C-N 3.33Å
132D86.4Confident92.8Very high135 Ų13580.4 Ų80.472%0.72242%0.422SS*.THydrogen-bonded Turntrans-81.6-11.3174.766-37.7000113.2P130 K134P130-D132 WeakPolarHBondContact CB-OD1 3.4Å; P130-D132 PolarHBondContact O-N 3.1Å; P130-D132 VanDerWaalsContact O-N 3.11Å; D132-K134 PolarHBondContact O-N 3.5Å
133T88.9Confident92.7Very high42 Ų4278.3 Ų78.326%0.25841%0.411SS..  trans-79.5113.2-178.2-64.80000111.8V129 P130 A131 L135 I171V129-T133 HydrophobicContact CG1-CG2 4.12Å; P130-T133 VanDerWaalsContact O-CB 3.22Å; P130-T133 WeakPolarHBondContact O-CB 3.28Å; P130-T133 PolarHBondContact O-N 2.95Å; A131-T133 VanDerWaalsContact C-N 3.33Å; T133-L135 HydrophobicContact CG2-CD2 4.2Å; T133-L135 PolarHBondContact O-N 3.47Å; T133-I171 HydrophobicContact CG2-CD1 4.32Å; T133-I171 HydrophobicContact CG2-CG2 3.69Å
134K88.8Confident92.8Very high201 Ų20175.4 Ų75.487%0.87440%0.403SS*.  trans-80.7100.8175.3-65.1-173.5178.6178.60111.6D132D132-K134 PolarHBondContact O-N 3.5Å
135L92Very high92.9Very high13 Ų1372.2 Ų72.27%0.06840%0.395CS..  trans-75.7127.6171.6-61.9177.4000111.9R123 I126 V129 T133 T140 L143R123-L135 HydrophobicContact CG-CB 4.43Å; R123-L135 HydrophobicContact CG-CD1 4.29Å; R123-L135 PolarHBondContact NE-O 3.45Å; I126-L135 HydrophobicContact CD1-CD1 3.95Å; V129-L135 HydrophobicContact CG1-CD1 3.99Å; V129-L135 HydrophobicContact CG1-CD2 4.28Å; V129-L135 HydrophobicContact CG1-CG 4.08Å; V129-L135 HydrophobicContact CG2-CD1 4.17Å; T133-L135 HydrophobicContact CG2-CD2 4.2Å; T133-L135 PolarHBondContact O-N 3.47Å; L135-T140 WeakPolarHBondContact CB-OG1 3.45Å; L135-L143 HydrophobicContact CD1-CD1 3.86Å; L135-L143 HydrophobicContact CD2-CD1 3.83Å
136S94.4Very high93Very high60 Ų6071.5 Ų71.542%0.4239%0.391SS..  trans-65.2156.5169.473.60000111.2I138 K139 T140S136-I138 VanDerWaalsContact C-N 3.28Å; S136-I138 PolarHBondContact O-N 2.95Å; S136-I138 WeakPolarHBondContact OG-CG2 3.18Å; S136-K139 PolarHBondContact O-N 3.4Å; S136-K139 WeakPolarHBondContact OG-CB 3.04Å; S136-K139 WeakPolarHBondContact OG-CG 3.25Å; S136-K139 PolarHBondContact OG-N 3.36Å; S136-T140 PolarHBondContact O-N 3.01Å; S136-T140 PolarHBondContact O-OG1 2.88Å
137K96.3Very high93.1Very high107 Ų10774.1 Ų74.147%0.46540%0.401SS..Hα-helixtrans-52.5-45.8-179.1-66.9-174.9177.5-172.80112.3N116 F119 T140 L141N116-K137 PolarHBondContact OD1-NZ 3.32Å; F119-K137 HydrophobicContact CD1-CG 4.37Å; F119-K137 HydrophobicContact CE1-CB 3.87Å; F119-K137 HydrophobicContact CE1-CG 4.06Å; F119-K137 HydrophobicContact CE2-CD 4.33Å; F119-K137 HydrophobicContact CE2-CG 4.48Å; F119-K137 HydrophobicContact CZ-CB 4.03Å; F119-K137 HydrophobicContact CZ-CD 4.29Å; F119-K137 HydrophobicContact CZ-CG 4.13Å; K137-T140 PolarHBondContact O-N 3.4Å; K137-L141 WeakPolarHBondContact O-CG 2.99Å; K137-L141 PolarHBondContact O-N 3.21Å; K137-L141 VanDerWaalsContact O-N 3.1Å
138I96.3Very high93.2Very high94 Ų9477.1 Ų77.148%0.48241%0.414SS..Hα-helixtrans-66.2-38178.6-174.659.4000112.4S136 L141 R142S136-I138 VanDerWaalsContact C-N 3.28Å; S136-I138 PolarHBondContact O-N 2.95Å; S136-I138 WeakPolarHBondContact OG-CG2 3.18Å; I138-L141 PolarHBondContact O-N 3.2Å; I138-R142 HydrophobicContact CD1-CG 4.49Å; I138-R142 VanDerWaalsContact O-CG 3.31Å; I138-R142 WeakPolarHBondContact O-CG 3.22Å; I138-R142 PolarHBondContact O-N 3.05Å
139K94.7Very high93.6Very high54 Ų5474.2 Ų74.224%0.23541%0.405CS..Hα-helixtrans-68.2-43177.3-78.4-74-1671630111.4S136 L141 R142 L143S136-K139 PolarHBondContact O-N 3.4Å; S136-K139 WeakPolarHBondContact OG-CB 3.04Å; S136-K139 WeakPolarHBondContact OG-CG 3.25Å; S136-K139 PolarHBondContact OG-N 3.36Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-L141 PolarHBondContact O-N 3.44Å; K139-R142 PolarHBondContact O-N 3.49Å; K139-L143 WeakPolarHBondContact O-CB 3.41Å; K139-L143 WeakPolarHBondContact O-CG 3.36Å; K139-L143 PolarHBondContact O-N 3.08Å
140T95.8Very high93.9Very high0 Ų075.5 Ų75.50%041%0.407CS..Hα-helixtrans-56.2-48.3174.2-57.70000110.9F119 L122 R123 I126 L135 S136 K137 R142 L143 A144F119-T140 HydrophobicContact CD1-CG2 4.16Å; L122-T140 HydrophobicContact CB-CG2 4.27Å; L122-T140 HydrophobicContact CD2-CG2 3.73Å; L122-T140 HydrophobicContact CG-CG2 3.76Å; R123-T140 HydrophobicContact CG-CG2 3.86Å; R123-T140 PolarHBondContact NE-OG1 3.41Å; I126-T140 HydrophobicContact CD1-CG2 3.94Å; L135-T140 WeakPolarHBondContact CB-OG1 3.45Å; S136-T140 PolarHBondContact O-N 3.01Å; S136-T140 PolarHBondContact O-OG1 2.88Å; K137-T140 PolarHBondContact O-N 3.4Å; T140-R142 PolarHBondContact O-N 2.95Å; T140-L143 PolarHBondContact O-N 3.34Å; T140-A144 VanDerWaalsContact O-CB 3.31Å; T140-A144 WeakPolarHBondContact O-CB 3.32Å; T140-A144 PolarHBondContact O-N 3.11Å
141L97.7Very high94.2Very high83 Ų8375.2 Ų75.244%0.43540%0.401SS..Hα-helixtrans-61.5-47178.7-67.2175.3000112.2F119 L122 K137 I138 K139 L143 A144 T145F119-L141 HydrophobicContact CE1-CD2 4.23Å; F119-L141 HydrophobicContact CE1-CG 4.17Å; F119-L141 HydrophobicContact CZ-CD2 4.37Å; F119-L141 HydrophobicContact CZ-CG 4.43Å; L122-L141 HydrophobicContact CD2-CD2 4.44Å; K137-L141 WeakPolarHBondContact O-CG 2.99Å; K137-L141 PolarHBondContact O-N 3.21Å; K137-L141 VanDerWaalsContact O-N 3.1Å; I138-L141 PolarHBondContact O-N 3.2Å; K139-L141 VanDerWaalsContact C-N 3.33Å; K139-L141 PolarHBondContact O-N 3.44Å; L141-L143 PolarHBondContact O-N 3.26Å; L141-A144 PolarHBondContact O-N 3.44Å; L141-T145 PolarHBondContact O-N 3.2Å; L141-T145 PolarHBondContact O-OG1 2.95Å; L141-T145 VanDerWaalsContact O-OG1 3.08Å
142R96.3Very high94.7Very high159 Ų15975.4 Ų75.460%0.638%0.384SS*.Hα-helixtrans-60-48.1179.2-73.3176.4179.5-1650.2112.2I138 K139 T140 T145 S146I138-R142 HydrophobicContact CD1-CG 4.49Å; I138-R142 VanDerWaalsContact O-CG 3.31Å; I138-R142 WeakPolarHBondContact O-CG 3.22Å; I138-R142 PolarHBondContact O-N 3.05Å; K139-R142 PolarHBondContact O-N 3.49Å; T140-R142 PolarHBondContact O-N 2.95Å; R142-T145 PolarHBondContact O-N 3.08Å; R142-S146 PolarHBondContact O-N 3.29Å; R142-S146 PolarHBondContact O-OG 3.34Å
143L96.3Very high95Very high14 Ų1473.2 Ų73.27%0.07337%0.373CS..Hα-helixtrans-65.1-41.3-179.7-72.2172.7000111.8I126 V129 L135 K139 T140 L141 S146 Y147 A169I126-L143 HydrophobicContact CD1-CB 3.88Å; I126-L143 HydrophobicContact CG1-CB 4.44Å; I126-L143 HydrophobicContact CG2-CB 3.98Å; I126-L143 HydrophobicContact CG2-CD1 4.28Å; V129-L143 HydrophobicContact CG2-CD1 4.44Å; L135-L143 HydrophobicContact CD1-CD1 3.86Å; L135-L143 HydrophobicContact CD2-CD1 3.83Å; K139-L143 WeakPolarHBondContact O-CB 3.41Å; K139-L143 WeakPolarHBondContact O-CG 3.36Å; K139-L143 PolarHBondContact O-N 3.08Å; T140-L143 PolarHBondContact O-N 3.34Å; L141-L143 PolarHBondContact O-N 3.26Å; L143-S146 PolarHBondContact O-N 3.27Å; L143-Y147 WeakPolarHBondContact O-CB 3.23Å; L143-Y147 PolarHBondContact O-N 3.13Å; L143-A169 HydrophobicContact CD2-CB 4.1Å
144A97.7Very high95.1Very high14 Ų1473.6 Ų73.612%0.11637%0.373CS..Hα-helixtrans-61.4-46.4176.100000111.9L122 T140 L141 S146 Y147 I148L122-A144 HydrophobicContact CD1-CB 3.86Å; L122-A144 HydrophobicContact CD2-CB 4.33Å; L122-A144 HydrophobicContact CG-CB 4.3Å; T140-A144 VanDerWaalsContact O-CB 3.31Å; T140-A144 WeakPolarHBondContact O-CB 3.32Å; T140-A144 PolarHBondContact O-N 3.11Å; L141-A144 PolarHBondContact O-N 3.44Å; A144-S146 PolarHBondContact O-N 3.47Å; A144-Y147 PolarHBondContact O-N 3.16Å; A144-I148 WeakPolarHBondContact O-CG1 3.37Å; A144-I148 PolarHBondContact O-N 3.2Å
145T97.4Very high95.2Very high96 Ų9669.6 Ų69.659%0.58936%0.36SS*.Hα-helixtrans-61.6-43.6176.1-55.50000111.9L141 R142 Y147 I148 A149L141-T145 PolarHBondContact O-N 3.2Å; L141-T145 PolarHBondContact O-OG1 2.95Å; L141-T145 VanDerWaalsContact O-OG1 3.08Å; R142-T145 PolarHBondContact O-N 3.08Å; T145-Y147 VanDerWaalsContact C-N 3.3Å; T145-Y147 PolarHBondContact O-N 3.5Å; T145-I148 PolarHBondContact O-N 3.28Å; T145-A149 PolarHBondContact O-N 2.95Å
146S96.2Very high95.1Very high65 Ų6572.9 Ų72.946%0.45539%0.389SS..Hα-helixtrans-62.6-37.2175.3-65.20000112.5R142 L143 A144 A149 Y150R142-S146 PolarHBondContact O-N 3.29Å; R142-S146 PolarHBondContact O-OG 3.34Å; L143-S146 PolarHBondContact O-N 3.27Å; A144-S146 PolarHBondContact O-N 3.47Å; S146-A149 PolarHBondContact O-N 3.38Å; S146-Y150 WeakPolarHBondContact O-CB 3.45Å; S146-Y150 PolarHBondContact O-N 3.09Å
147Y97.5Very high94.7Very high63 Ų6376 Ų7625%0.24740%0.395CS..Hα-helixtrans-69.2-41.8178.4-177.2-134000111.8C125 P127 L143 A144 T145 A149 Y150 L151 F167C125-Y147 WeakPolarHBondContact O-CE1 3.22Å; P127-Y147 HydrophobicContact CG-CD1 4.5Å; P127-Y147 HydrophobicContact CG-CD2 3.82Å; P127-Y147 HydrophobicContact CG-CE1 4.24Å; P127-Y147 HydrophobicContact CG-CE2 3.55Å; P127-Y147 HydrophobicContact CG-CG 4.31Å; L143-Y147 WeakPolarHBondContact O-CB 3.23Å; L143-Y147 PolarHBondContact O-N 3.13Å; A144-Y147 PolarHBondContact O-N 3.16Å; T145-Y147 VanDerWaalsContact C-N 3.3Å; T145-Y147 PolarHBondContact O-N 3.5Å; Y147-A149 VanDerWaalsContact C-N 3.34Å; Y147-A149 PolarHBondContact O-N 2.88Å; Y147-Y150 HydrophobicContact CD2-CD1 4.06Å; Y147-Y150 HydrophobicContact CE2-CD1 4.09Å; Y147-Y150 WeakPolarHBondContact O-CB 3.31Å; Y147-Y150 PolarHBondContact O-N 2.86Å; Y147-L151 HydrophobicContact CD1-CD1 4.31Å; Y147-L151 HydrophobicContact CD2-CD1 4.44Å; Y147-L151 HydrophobicContact CD2-CG 4.16Å; Y147-L151 HydrophobicContact CE1-CD1 3.85Å; Y147-L151 HydrophobicContact CE2-CD1 3.97Å; Y147-L151 HydrophobicContact CE2-CD2 3.76Å; Y147-L151 HydrophobicContact CE2-CG 3.76Å; Y147-L151 WeakPolarHBondContact O-CG 3.36Å; Y147-L151 PolarHBondContact O-N 3.42Å; Y147-F167 VanDerWaalsContact CA-CE2 3.48Å; Y147-F167 HydrophobicContact CD2-CB 4.37Å; Y147-F167 HydrophobicContact CD2-CD1 4.23Å; Y147-F167 AromaticContact CD2-CD2 3.98Å; Y147-F167 HydrophobicContact CD2-CD2 3.98Å; Y147-F167 HydrophobicContact CD2-CE2 4.31Å; Y147-F167 AromaticContact CD2-CG 3.92Å; Y147-F167 HydrophobicContact CD2-CG 3.92Å
148I97.1Very high93.3Very high99 Ų9975.9 Ų75.951%0.50840%0.4SS..Hα-helixtrans-57.6-49172.6-66.6165.1000110.1A144 T145 Y150 L151 M152A144-I148 WeakPolarHBondContact O-CG1 3.37Å; A144-I148 PolarHBondContact O-N 3.2Å; T145-I148 PolarHBondContact O-N 3.28Å; I148-Y150 VanDerWaalsContact C-N 3.34Å; I148-Y150 PolarHBondContact O-N 3.44Å; I148-L151 PolarHBondContact O-N 3.07Å; I148-M152 HydrophobicContact CG2-CE 4.31Å; I148-M152 HydrophobicContact CG2-CG 4.33Å; I148-M152 VanDerWaalsContact O-CG 3.23Å; I148-M152 WeakPolarHBondContact O-CG 3.37Å; I148-M152 PolarHBondContact O-N 2.74Å
149A95.7Very high91.7Very high49 Ų4979.2 Ų79.241%0.40542%0.419SS..Hα-helixtrans-59.8-42.9178.400000112.5T145 S146 Y147 L151 M152 D153T145-A149 PolarHBondContact O-N 2.95Å; S146-A149 PolarHBondContact O-N 3.38Å; Y147-A149 VanDerWaalsContact C-N 3.34Å; Y147-A149 PolarHBondContact O-N 2.88Å; A149-L151 PolarHBondContact O-N 3.35Å; A149-M152 PolarHBondContact O-N 3.48Å; A149-D153 PolarHBondContact O-N 2.97Å
150Y94.8Very high90.2Very high58 Ų5884.5 Ų84.523%0.22744%0.444CS..Hα-helixtrans-58.2-46.2175.4167.6-98000112.6S146 Y147 I148 D153 L154 E165 F167S146-Y150 WeakPolarHBondContact O-CB 3.45Å; S146-Y150 PolarHBondContact O-N 3.09Å; Y147-Y150 HydrophobicContact CD2-CD1 4.06Å; Y147-Y150 HydrophobicContact CE2-CD1 4.09Å; Y147-Y150 WeakPolarHBondContact O-CB 3.31Å; Y147-Y150 PolarHBondContact O-N 2.86Å; I148-Y150 VanDerWaalsContact C-N 3.34Å; I148-Y150 PolarHBondContact O-N 3.44Å; Y150-D153 PolarHBondContact O-N 3.33Å; Y150-L154 HydrophobicContact CE1-CD1 4.01Å; Y150-L154 WeakPolarHBondContact O-CB 3.41Å; Y150-L154 PolarHBondContact O-N 3.41Å; Y150-E165 WeakPolarHBondContact CE2-O 3.39Å; Y150-E165 PolarHBondContact OH-O 3.29Å; Y150-F167 HydrophobicContact CD1-CB 3.83Å; Y150-F167 HydrophobicContact CD1-CD2 4.25Å; Y150-F167 HydrophobicContact CD1-CG 4.43Å; Y150-F167 HydrophobicContact CD2-CB 4.37Å; Y150-F167 HydrophobicContact CE1-CB 3.88Å; Y150-F167 HydrophobicContact CE2-CB 4.42Å; Y150-F167 HydrophobicContact CG-CB 4.08Å; Y150-F167 AromaticContact CG-CD2 3.95Å; Y150-F167 HydrophobicContact CG-CD2 3.95Å; Y150-F167 HydrophobicContact CG-CG 4.49Å
151L94.4Very high88.2Confident61 Ų6192.9 Ų92.932%0.31949%0.489SS..Hα-helixtrans-65.6-39.2178.1-67177.9000111.8Y147 I148 A149 L154 L155Y147-L151 HydrophobicContact CD1-CD1 4.31Å; Y147-L151 HydrophobicContact CD2-CD1 4.44Å; Y147-L151 HydrophobicContact CD2-CG 4.16Å; Y147-L151 HydrophobicContact CE1-CD1 3.85Å; Y147-L151 HydrophobicContact CE2-CD1 3.97Å; Y147-L151 HydrophobicContact CE2-CD2 3.76Å; Y147-L151 HydrophobicContact CE2-CG 3.76Å; Y147-L151 WeakPolarHBondContact O-CG 3.36Å; Y147-L151 PolarHBondContact O-N 3.42Å; I148-L151 PolarHBondContact O-N 3.07Å; A149-L151 PolarHBondContact O-N 3.35Å; L151-L154 PolarHBondContact O-N 3.21Å; L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.33Å; L151-L155 PolarHBondContact O-N 2.9Å
152M94.8Very high86.2Confident116 Ų11691.7 Ų91.757%0.57150%0.496SS*.Hα-helixtrans-63.1-42.7176.1-65-68.1149.700111.6I148 A149 A156I148-M152 HydrophobicContact CG2-CE 4.31Å; I148-M152 HydrophobicContact CG2-CG 4.33Å; I148-M152 VanDerWaalsContact O-CG 3.23Å; I148-M152 WeakPolarHBondContact O-CG 3.37Å; I148-M152 PolarHBondContact O-N 2.74Å; A149-M152 PolarHBondContact O-N 3.48Å; M152-A156 WeakPolarHBondContact O-CB 3.31Å; M152-A156 PolarHBondContact O-N 2.98Å
153D92Very high84.5Confident90 Ų9092.9 Ų92.948%0.48151%0.509SS..Hα-helixtrans-66-36.9176.1-76.2-5.8000112.3A149 Y150 A156 K157A149-D153 PolarHBondContact O-N 2.97Å; Y150-D153 PolarHBondContact O-N 3.33Å; D153-A156 PolarHBondContact O-N 3.46Å; D153-K157 WeakPolarHBondContact O-CB 3.38Å; D153-K157 WeakPolarHBondContact O-CD 3.31Å; D153-K157 WeakPolarHBondContact O-CG 3.44Å; D153-K157 PolarHBondContact O-N 3.04Å
154L90.9Very high83.1Confident49 Ų4995.2 Ų95.226%0.25753%0.53SS..Hα-helixtrans-65.3-49.3177.1-169.7156.6000110.3Y150 L151 A156 K157 D158 A164Y150-L154 HydrophobicContact CE1-CD1 4.01Å; Y150-L154 WeakPolarHBondContact O-CB 3.41Å; Y150-L154 PolarHBondContact O-N 3.41Å; L151-L154 PolarHBondContact O-N 3.21Å; L154-A156 PolarHBondContact O-N 3.28Å; L154-K157 PolarHBondContact O-N 3.18Å; L154-D158 PolarHBondContact O-N 3.31Å; L154-A164 HydrophobicContact CD1-CB 4.36Å
155L91.7Very high82.1Confident117 Ų117102.1 Ų102.161%0.61356%0.56SS**Hα-helixtrans-61.2-31.7176.9-68.7171.9000112.9L151 K157L151-L155 VanDerWaalsContact O-CG 3.28Å; L151-L155 WeakPolarHBondContact O-CG 3.33Å; L151-L155 PolarHBondContact O-N 2.9Å; L155-K157 VanDerWaalsContact C-N 3.33Å
156A90.1Very high81.6Confident82 Ų82101.1 Ų101.168%0.67856%0.561SS**Hα-helixtrans-75.8-20.6175.300000113.4M152 D153 L154M152-A156 WeakPolarHBondContact O-CB 3.31Å; M152-A156 PolarHBondContact O-N 2.98Å; D153-A156 PolarHBondContact O-N 3.46Å; L154-A156 PolarHBondContact O-N 3.28Å
157K84.8Confident81.3Confident125 Ų12599 Ų9954%0.54354%0.544SS..Hα-helixtrans-98.7-4.1-178.8-72.1168.3-171.2159.70113.5D153 L154 L155 D159 Q160D153-K157 WeakPolarHBondContact O-CB 3.38Å; D153-K157 WeakPolarHBondContact O-CD 3.31Å; D153-K157 WeakPolarHBondContact O-CG 3.44Å; D153-K157 PolarHBondContact O-N 3.04Å; L154-K157 PolarHBondContact O-N 3.18Å; L155-K157 VanDerWaalsContact C-N 3.33Å; K157-D159 PolarHBondContact O-N 3.32Å; K157-Q160 PolarHBondContact O-N 3.33Å
158D67.9Low80.9Confident106 Ų106104 Ų10457%0.56757%0.567SS**THydrogen-bonded Turntrans-61.1-5.7-173.8-83.8-23.9000114.8L154L154-D158 PolarHBondContact O-N 3.31Å
159D62.5Low80.5Confident164 Ų164100 Ų10088%0.87755%0.548SS*.THydrogen-bonded Turntrans-86.9-7.9167.5-66.8-34.5000114.2K157K157-D159 PolarHBondContact O-N 3.32Å
160Q63.3Low80.1Confident164 Ų164103.1 Ų103.177%0.76656%0.555SS**SBendtrans-122.492.6-177.4-61.5-163.534.700110.8K157 G162K157-Q160 PolarHBondContact O-N 3.33Å; Q160-G162 VanDerWaalsContact C-N 3.35Å; Q160-G162 PolarHBondContact O-N 3.36Å
161N52.5Low79.5Confident177 Ų177103.1 Ų103.195%0.94756%0.558SS**  trans-52.888.9169.7-179.589000111.5
162G56.3Low78.6Confident57 Ų57107.2 Ų107.259%0.58857%0.573SS**SBendtrans-170.897.2178.300000112.6Q160 A164Q160-G162 VanDerWaalsContact C-N 3.35Å; Q160-G162 PolarHBondContact O-N 3.36Å; G162-A164 PolarHBondContact O-N 3.36Å; G162-A164 VanDerWaalsContact O-N 3.17Å
163E61Low77Confident185 Ų185109.9 Ų109.986%0.86458%0.582SS**  trans43.959.8149.4-49.6-172.5-148.700115.8E165E163-E165 PolarHBondContact O-N 3.27Å
164A66.5Low75.4Confident63 Ų63109.4 Ų109.452%0.52158%0.582SS.*  trans-65.9103.8169.300000109.2L154 G162 A166L154-A164 HydrophobicContact CD1-CB 4.36Å; G162-A164 PolarHBondContact O-N 3.36Å; G162-A164 VanDerWaalsContact O-N 3.17Å; A164-A166 PolarHBondContact O-N 3.34Å
165E77.4Confident73.9Confident159 Ų159111.5 Ų111.574%0.74359%0.594SS**PPolyproline II helixtrans-46.5119.7173.6-76.2-68.2139.900110.7Y150 E163 F167Y150-E165 WeakPolarHBondContact CE2-O 3.39Å; Y150-E165 PolarHBondContact OH-O 3.29Å; E163-E165 PolarHBondContact O-N 3.27Å; E165-F167 PolarHBondContact O-N 3.47Å
166A86Confident72.3Confident74 Ų74111.7 Ų111.761%0.61260%0.599SS**PPolyproline II helixtrans-58140.8-177.700000111.8A164 K168A164-A166 PolarHBondContact O-N 3.34Å; A166-K168 PolarHBondContact O-N 2.68Å; A166-K168 VanDerWaalsContact O-N 3.13Å
167F91Very high70.8Confident21 Ų21114.7 Ų114.79%0.09260%0.597CS.*PPolyproline II helixtrans-54.8119.3-179.8177.7-94.7000112.4I126 P127 N128 Y147 Y150 E165 A169I126-F167 HydrophobicContact CG2-CE1 4.45Å; P127-F167 HydrophobicContact CG-CD1 3.65Å; P127-F167 HydrophobicContact CG-CE1 4.2Å; P127-F167 HydrophobicContact CG-CG 4.32Å; N128-F167 PolarHBondContact ND2-O 3.24Å; Y147-F167 VanDerWaalsContact CA-CE2 3.48Å; Y147-F167 HydrophobicContact CD2-CB 4.37Å; Y147-F167 HydrophobicContact CD2-CD1 4.23Å; Y147-F167 AromaticContact CD2-CD2 3.98Å; Y147-F167 HydrophobicContact CD2-CD2 3.98Å; Y147-F167 HydrophobicContact CD2-CE2 4.31Å; Y147-F167 AromaticContact CD2-CG 3.92Å; Y147-F167 HydrophobicContact CD2-CG 3.92Å; Y150-F167 HydrophobicContact CD1-CB 3.83Å; Y150-F167 HydrophobicContact CD1-CD2 4.25Å; Y150-F167 HydrophobicContact CD1-CG 4.43Å; Y150-F167 HydrophobicContact CD2-CB 4.37Å; Y150-F167 HydrophobicContact CE1-CB 3.88Å; Y150-F167 HydrophobicContact CE2-CB 4.42Å; Y150-F167 HydrophobicContact CG-CB 4.08Å; Y150-F167 AromaticContact CG-CD2 3.95Å; Y150-F167 HydrophobicContact CG-CD2 3.95Å; Y150-F167 HydrophobicContact CG-CG 4.49Å; E165-F167 PolarHBondContact O-N 3.47Å; F167-A169 HydrophobicContact CE1-CB 4.04Å
168K87.9Confident69.7Low169 Ų169114.7 Ų114.774%0.73560%0.599SS**  trans-102.7107.8178.8-171.4175.9-176.7173.40111.4A166 E170A166-K168 PolarHBondContact O-N 2.68Å; A166-K168 VanDerWaalsContact O-N 3.13Å; K168-E170 PolarHBondContact O-N 3.26Å; K168-E170 VanDerWaalsContact O-N 3.15Å
169A89.5Confident69.5Low13 Ų13113.7 Ų113.711%0.10759%0.591CS.*  trans-69.5108.7172.300000110.6N128 V129 L143 F167 I171N128-A169 HydrophobicContact CB-CB 4.48Å; V129-A169 HydrophobicContact CG2-CB 3.84Å; L143-A169 HydrophobicContact CD2-CB 4.1Å; F167-A169 HydrophobicContact CE1-CB 4.04Å; A169-I171 HydrophobicContact CB-CG1 4.26Å; A169-I171 PolarHBondContact O-N 3.23Å
170E86.7Confident69.6Low115 Ų115111.9 Ų111.954%0.53758%0.575SS.*  trans-77.284.3177-67-158.315600112.6K168 K172K168-E170 PolarHBondContact O-N 3.26Å; K168-E170 VanDerWaalsContact O-N 3.15Å; E170-K172 PolarHBondContact O-N 2.91Å; E170-K172 VanDerWaalsContact O-N 3.14Å
171I83.3Confident70.1Confident59 Ų59111.1 Ų111.130%0.30357%0.565SS.*  trans-87.144.7175.5-41.7168.1000110.5V129 T133 A169 K173V129-I171 HydrophobicContact CB-CD1 4.21Å; V129-I171 HydrophobicContact CG1-CD1 4.05Å; V129-I171 HydrophobicContact CG2-CD1 4.01Å; V129-I171 HydrophobicContact CG2-CG1 4.49Å; T133-I171 HydrophobicContact CG2-CD1 4.32Å; T133-I171 HydrophobicContact CG2-CG2 3.69Å; A169-I171 HydrophobicContact CB-CG1 4.26Å; A169-I171 PolarHBondContact O-N 3.23Å; I171-K173 PolarHBondContact O-N 3.42Å; I171-K173 VanDerWaalsContact O-N 3.16Å
172K73.7Confident71.3Confident146 Ų146109.5 Ų109.564%0.63555%0.55SS*.  trans-69.1116.4172.2-71.9179.3-178.8165.70108.5E170 T174E170-K172 PolarHBondContact O-N 2.91Å; E170-K172 VanDerWaalsContact O-N 3.14Å; K172-T174 VanDerWaalsContact C-N 3.26Å; K172-T174 PolarHBondContact O-N 3.41Å
173K62.7Low72.1Confident172 Ų172112.7 Ų112.775%0.74855%0.548SS*.  trans-6284.4172-68.2176.8179.1176.60109.3I171 D175I171-K173 PolarHBondContact O-N 3.42Å; I171-K173 VanDerWaalsContact O-N 3.16Å; K173-D175 VanDerWaalsContact CA-OD2 3.31Å; K173-D175 WeakPolarHBondContact CA-OD2 3.48Å; K173-D175 HydrophobicContact CB-CB 4.48Å; K173-D175 WeakPolarHBondContact CB-OD2 3.4Å; K173-D175 PolarHBondContact O-N 2.94Å
174T58.7Low72.8Confident80 Ų80108.1 Ų108.149%0.49153%0.526SS..THydrogen-bonded Turntrans-713.4164.851.20000111.8K172 V176 K177 E178K172-T174 VanDerWaalsContact C-N 3.26Å; K172-T174 PolarHBondContact O-N 3.41Å; T174-V176 PolarHBondContact O-N 3.07Å; T174-V176 VanDerWaalsContact O-N 3.1Å; T174-K177 PolarHBondContact O-N 2.92Å; T174-E178 PolarHBondContact O-N 3.05Å
175D58.2Low73.3Confident94 Ų94110.6 Ų110.650%0.50353%0.53SS..Hα-helixtrans-50.4-33.1177.4-61.3-80000112.4K173 K177 E178 E179K173-D175 VanDerWaalsContact CA-OD2 3.31Å; K173-D175 WeakPolarHBondContact CA-OD2 3.48Å; K173-D175 HydrophobicContact CB-CB 4.48Å; K173-D175 WeakPolarHBondContact CB-OD2 3.4Å; K173-D175 PolarHBondContact O-N 2.94Å; D175-K177 PolarHBondContact O-N 3.43Å; D175-E178 PolarHBondContact O-N 3.41Å; D175-E179 WeakPolarHBondContact O-CB 3.39Å; D175-E179 PolarHBondContact O-N 3.09Å
176V57.4Low73.3Confident120 Ų120106.5 Ų106.573%0.72751%0.513SS*.Hα-helixtrans-64.7-39.7178.5-173.40000111.9T174 K180T174-V176 PolarHBondContact O-N 3.07Å; T174-V176 VanDerWaalsContact O-N 3.1Å; V176-K180 VanDerWaalsContact O-CB 3.24Å; V176-K180 WeakPolarHBondContact O-CB 3.4Å; V176-K180 PolarHBondContact O-N 3.3Å
177K59.3Low72.9Confident146 Ų146109.5 Ų109.564%0.63551%0.514SS*.Hα-helixtrans-79-26.4-179.5-170.7170.5177.8170.60112.1T174 D175 R181T174-K177 PolarHBondContact O-N 2.92Å; D175-K177 PolarHBondContact O-N 3.43Å; K177-R181 WeakPolarHBondContact O-CB 3.35Å; K177-R181 WeakPolarHBondContact O-CG 3.23Å; K177-R181 PolarHBondContact O-N 3.13Å; K177-R181 VanDerWaalsContact O-N 3.17Å; K177-R181 PolarHBondContact O-NE 3.44Å
178E62.5Low72.2Confident124 Ų124113.6 Ų113.658%0.57954%0.536SS*.Hα-helixtrans-81.5-41.6175.7-167.4167.617700111.5T174 D175 K180 R181 K182T174-E178 PolarHBondContact O-N 3.05Å; D175-E178 PolarHBondContact O-N 3.41Å; E178-K180 VanDerWaalsContact C-N 3.34Å; E178-K180 PolarHBondContact O-N 2.89Å; E178-R181 PolarHBondContact O-N 2.86Å; E178-K182 VanDerWaalsContact O-CB 3.31Å; E178-K182 WeakPolarHBondContact O-CB 3.32Å; E178-K182 PolarHBondContact O-N 3.05Å
179E62.3Low71.4Confident85 Ų85110.6 Ų110.640%0.39753%0.528SS..Hα-helixtrans-60-42.7169.1-89.7-80.9120.200111.3D175 K182 K183D175-E179 WeakPolarHBondContact O-CB 3.39Å; D175-E179 PolarHBondContact O-N 3.09Å; E179-K182 PolarHBondContact O-N 3.41Å; E179-K183 VanDerWaalsContact O-CB 3.3Å; E179-K183 WeakPolarHBondContact O-CB 3.39Å; E179-K183 WeakPolarHBondContact O-CD 3.41Å; E179-K183 WeakPolarHBondContact O-CG 3.49Å; E179-K183 PolarHBondContact O-N 2.98Å; E179-K183 WeakPolarHBondContact OE2-CE 3.29Å; E179-K183 IonicContact OE2-NZ 2.85Å; E179-K183 PolarHBondContact OE2-NZ 3.46Å
180K66.6Low70.7Confident127 Ų127115.5 Ų115.555%0.55255%0.547SS*.Hα-helixtrans-60.3-47.7174.4-178168.8175.7171.50111.1V176 E178 K182 K183 E184V176-K180 VanDerWaalsContact O-CB 3.24Å; V176-K180 WeakPolarHBondContact O-CB 3.4Å; V176-K180 PolarHBondContact O-N 3.3Å; E178-K180 VanDerWaalsContact C-N 3.34Å; E178-K180 PolarHBondContact O-N 2.89Å; K180-K182 VanDerWaalsContact C-N 3.32Å; K180-K182 PolarHBondContact O-N 3.48Å; K180-K183 PolarHBondContact O-N 3.17Å; K180-E184 WeakPolarHBondContact CE-OE1 3.44Å; K180-E184 HydrophobicContact CG-CG 4.35Å; K180-E184 WeakPolarHBondContact CG-OE1 3.48Å; K180-E184 IonicContact NZ-OE1 3.98Å; K180-E184 WeakPolarHBondContact O-CB 3.35Å; K180-E184 VanDerWaalsContact O-CG 3.26Å; K180-E184 WeakPolarHBondContact O-CG 3.4Å; K180-E184 PolarHBondContact O-N 3.42Å
181R73.8Confident69.8Low148 Ų148113.4 Ų113.456%0.55855%0.545SS*.Hα-helixtrans-62.7-36.3175.7-81.7-175.5-90.9172.9-8.5113K177 E178 L185K177-R181 WeakPolarHBondContact O-CB 3.35Å; K177-R181 WeakPolarHBondContact O-CG 3.23Å; K177-R181 PolarHBondContact O-N 3.13Å; K177-R181 VanDerWaalsContact O-N 3.17Å; K177-R181 PolarHBondContact O-NE 3.44Å; E178-R181 PolarHBondContact O-N 2.86Å; R181-L185 VanDerWaalsContact O-CB 3.22Å; R181-L185 WeakPolarHBondContact O-CB 3.35Å; R181-L185 PolarHBondContact O-N 3.29Å
182K76.7Confident69Low143 Ų143115.3 Ų115.362%0.62256%0.559SS**Hα-helixtrans-72-37.5177.5-168.9179178-173.10111.8E178 E179 K180 N186E178-K182 VanDerWaalsContact O-CB 3.31Å; E178-K182 WeakPolarHBondContact O-CB 3.32Å; E178-K182 PolarHBondContact O-N 3.05Å; E179-K182 PolarHBondContact O-N 3.41Å; K180-K182 VanDerWaalsContact C-N 3.32Å; K180-K182 PolarHBondContact O-N 3.48Å; K182-N186 VanDerWaalsContact O-CB 3.23Å; K182-N186 WeakPolarHBondContact O-CB 3.46Å; K182-N186 PolarHBondContact O-N 3.28Å
183K74.1Confident68.4Low124 Ų124113.5 Ų113.554%0.53956%0.56SS.*Hα-helixtrans-66.3-46172.3-74.7165.6-178.1157.80111E179 K180 N186 E187E179-K183 VanDerWaalsContact O-CB 3.3Å; E179-K183 WeakPolarHBondContact O-CB 3.39Å; E179-K183 WeakPolarHBondContact O-CD 3.41Å; E179-K183 WeakPolarHBondContact O-CG 3.49Å; E179-K183 PolarHBondContact O-N 2.98Å; E179-K183 WeakPolarHBondContact OE2-CE 3.29Å; E179-K183 IonicContact OE2-NZ 2.85Å; E179-K183 PolarHBondContact OE2-NZ 3.46Å; K180-K183 PolarHBondContact O-N 3.17Å; K183-N186 CarbonylContact O-C 3.6Å; K183-N186 WeakPolarHBondContact O-CB 3.49Å; K183-N186 PolarHBondContact O-N 3.15Å; K183-E187 WeakPolarHBondContact O-CB 3.42Å; K183-E187 PolarHBondContact O-N 2.97Å
184E74.7Confident68.3Low89 Ų89110.2 Ų110.242%0.41656%0.559SS.*Hα-helixtrans-61.5-45.7175.2-74.7170.2174.100111.4K180 N186 E187 I188K180-E184 WeakPolarHBondContact CE-OE1 3.44Å; K180-E184 HydrophobicContact CG-CG 4.35Å; K180-E184 WeakPolarHBondContact CG-OE1 3.48Å; K180-E184 IonicContact NZ-OE1 3.98Å; K180-E184 WeakPolarHBondContact O-CB 3.35Å; K180-E184 VanDerWaalsContact O-CG 3.26Å; K180-E184 WeakPolarHBondContact O-CG 3.4Å; K180-E184 PolarHBondContact O-N 3.42Å; E184-N186 VanDerWaalsContact C-N 3.31Å; E184-N186 PolarHBondContact O-N 3.32Å; E184-E187 PolarHBondContact O-N 2.96Å; E184-I188 WeakPolarHBondContact O-CB 3.42Å; E184-I188 WeakPolarHBondContact O-CD1 3.18Å; E184-I188 WeakPolarHBondContact O-CG1 3.49Å; E184-I188 PolarHBondContact O-N 3.42Å
185L76.5Confident68.2Low114 Ų114110.4 Ų110.460%0.59756%0.563SS**Hα-helixtrans-62.4-40.1174.9-163.6164.1000110.8R181 I188 L189R181-L185 VanDerWaalsContact O-CB 3.22Å; R181-L185 WeakPolarHBondContact O-CB 3.35Å; R181-L185 PolarHBondContact O-N 3.29Å; L185-I188 PolarHBondContact O-N 2.93Å; L185-L189 VanDerWaalsContact O-CB 3.31Å; L185-L189 WeakPolarHBondContact O-CB 2.9Å; L185-L189 PolarHBondContact O-N 3.45Å
186N77.4Confident67.9Low73 Ų73112.7 Ų112.739%0.3958%0.575SS.*Hα-helixtrans-66.8-40.3176.7-166.9-94.4000112.7K182 K183 E184 L189 K190K182-N186 VanDerWaalsContact O-CB 3.23Å; K182-N186 WeakPolarHBondContact O-CB 3.46Å; K182-N186 PolarHBondContact O-N 3.28Å; K183-N186 CarbonylContact O-C 3.6Å; K183-N186 WeakPolarHBondContact O-CB 3.49Å; K183-N186 PolarHBondContact O-N 3.15Å; E184-N186 VanDerWaalsContact C-N 3.31Å; E184-N186 PolarHBondContact O-N 3.32Å; N186-L189 PolarHBondContact O-N 3.48Å; N186-K190 VanDerWaalsContact O-CB 3.32Å; N186-K190 WeakPolarHBondContact O-CB 3.42Å; N186-K190 VanDerWaalsContact O-CG 3.25Å; N186-K190 WeakPolarHBondContact O-CG 3.48Å; N186-K190 PolarHBondContact O-N 3.06Å; N186-K190 WeakPolarHBondContact OD1-CD 3.42Å; N186-K190 WeakPolarHBondContact OD1-CE 3.49Å; N186-K190 PolarHBondContact OD1-NZ 3.38Å
187E78.4Confident67.6Low137 Ų137112.7 Ų112.764%0.6457%0.571SS**Hα-helixtrans-62.9-48173.2-90.2-105.2112.500111.5K183 E184 L189 K190 S191K183-E187 WeakPolarHBondContact O-CB 3.42Å; K183-E187 PolarHBondContact O-N 2.97Å; E184-E187 PolarHBondContact O-N 2.96Å; E187-L189 VanDerWaalsContact C-N 3.32Å; E187-L189 PolarHBondContact O-N 3.17Å; E187-K190 WeakPolarHBondContact O-CB 3.17Å; E187-K190 PolarHBondContact O-N 3.17Å; E187-K190 VanDerWaalsContact O-N 3.15Å; E187-S191 WeakPolarHBondContact O-CB 2.88Å; E187-S191 PolarHBondContact O-N 3.31Å; E187-S191 PolarHBondContact O-OG 2.93Å
188I75.6Confident67.2Low108 Ų108115.7 Ų115.755%0.55459%0.585SS**Hα-helixtrans-58.6-47.6175.6-67.6162.6000109.5E184 L185 K190 S191 T192E184-I188 WeakPolarHBondContact O-CB 3.42Å; E184-I188 WeakPolarHBondContact O-CD1 3.18Å; E184-I188 WeakPolarHBondContact O-CG1 3.49Å; E184-I188 PolarHBondContact O-N 3.42Å; L185-I188 PolarHBondContact O-N 2.93Å; I188-K190 VanDerWaalsContact C-N 3.32Å; I188-K190 PolarHBondContact O-N 3.26Å; I188-S191 PolarHBondContact O-N 3.24Å; I188-S191 PolarHBondContact O-OG 3.29Å; I188-T192 WeakPolarHBondContact O-CB 3.43Å; I188-T192 PolarHBondContact O-N 3.02Å; I188-T192 PolarHBondContact O-OG1 3.21Å
189L72.4Confident66.9Low106 Ų106118.8 Ų118.856%0.55560%0.596SS**Hα-helixtrans-60.3-41.3177.3-158.297.2000111.9L185 N186 E187 V193L185-L189 VanDerWaalsContact O-CB 3.31Å; L185-L189 WeakPolarHBondContact O-CB 2.9Å; L185-L189 PolarHBondContact O-N 3.45Å; N186-L189 PolarHBondContact O-N 3.48Å; E187-L189 VanDerWaalsContact C-N 3.32Å; E187-L189 PolarHBondContact O-N 3.17Å; L189-V193 WeakPolarHBondContact O-CG1 3.46Å; L189-V193 WeakPolarHBondContact O-CG2 3.28Å; L189-V193 PolarHBondContact O-N 3.3Å
190K73.6Confident66.7Low116 Ų116120.4 Ų120.450%0.50461%0.612SS.*Hα-helixtrans-66.8-40.7177.4-82.1172.3172.6171.90113.1N186 E187 I188 V193 S194N186-K190 VanDerWaalsContact O-CB 3.32Å; N186-K190 WeakPolarHBondContact O-CB 3.42Å; N186-K190 VanDerWaalsContact O-CG 3.25Å; N186-K190 WeakPolarHBondContact O-CG 3.48Å; N186-K190 PolarHBondContact O-N 3.06Å; N186-K190 WeakPolarHBondContact OD1-CD 3.42Å; N186-K190 WeakPolarHBondContact OD1-CE 3.49Å; N186-K190 PolarHBondContact OD1-NZ 3.38Å; E187-K190 WeakPolarHBondContact O-CB 3.17Å; E187-K190 PolarHBondContact O-N 3.17Å; E187-K190 VanDerWaalsContact O-N 3.15Å; I188-K190 VanDerWaalsContact C-N 3.32Å; I188-K190 PolarHBondContact O-N 3.26Å; K190-V193 WeakPolarHBondContact O-CG2 3.41Å; K190-V193 PolarHBondContact O-N 3.11Å; K190-S194 PolarHBondContact O-N 3Å; K190-S194 PolarHBondContact O-OG 2.96Å
191S68.8Low66.3Low71 Ų71124.6 Ų124.650%0.49763%0.63SS.*Hα-helixtrans-67.1-42.3177.870.10000111.1E187 I188 V193 S194 S195E187-S191 WeakPolarHBondContact O-CB 2.88Å; E187-S191 PolarHBondContact O-N 3.31Å; E187-S191 PolarHBondContact O-OG 2.93Å; I188-S191 PolarHBondContact O-N 3.24Å; I188-S191 PolarHBondContact O-OG 3.29Å; S191-V193 VanDerWaalsContact C-N 3.3Å; S191-V193 PolarHBondContact O-N 3.45Å; S191-S194 PolarHBondContact O-N 2.9Å; S191-S194 VanDerWaalsContact O-N 3.14Å; S191-S195 PolarHBondContact O-N 3.23Å
192T65.8Low65.4Low98 Ų98119 Ų11960%0.60162%0.619SS**Hα-helixtrans-64.3-31.5176.6-57.50000112.6I188I188-T192 WeakPolarHBondContact O-CB 3.43Å; I188-T192 PolarHBondContact O-N 3.02Å; I188-T192 PolarHBondContact O-OG1 3.21Å
193V61.4Low64.5Low109 Ų109124.3 Ų124.366%0.66164%0.635SS**Hα-helixtrans-85.3-11.7175.7-610000114.3L189 K190 S191L189-V193 WeakPolarHBondContact O-CG1 3.46Å; L189-V193 WeakPolarHBondContact O-CG2 3.28Å; L189-V193 PolarHBondContact O-N 3.3Å; K190-V193 WeakPolarHBondContact O-CG2 3.41Å; K190-V193 PolarHBondContact O-N 3.11Å; S191-V193 VanDerWaalsContact C-N 3.3Å; S191-V193 PolarHBondContact O-N 3.45Å
194S59.6Low64.2Low103 Ų103121.4 Ų121.472%0.7263%0.628SS**Hα-helixtrans-91-17.3179.9-620000113.3K190 S191K190-S194 PolarHBondContact O-N 3Å; K190-S194 PolarHBondContact O-OG 2.96Å; S191-S194 PolarHBondContact O-N 2.9Å; S191-S194 VanDerWaalsContact O-N 3.14Å
195S57.4Low64.1Low83 Ų83121.4 Ų121.458%0.5865%0.652SS**SBendtrans-100121.7169.3-77.40000110.5S191S191-S195 PolarHBondContact O-N 3.23Å
196N51.9Low64Low142 Ų142123.7 Ų123.776%0.75965%0.653SS**SBendtrans97.698.6173.9-55.3-69.6000117.3
197D51.3Low63.9Low120 Ų120123.5 Ų123.564%0.64266%0.655SS**  trans47.4106.4130.1-61.9-77000120.2K199D197-K199 PolarHBondContact O-N 3.39Å; D197-K199 VanDerWaalsContact O-N 3.13Å
198K51.7Low63.7Low210 Ų210122.8 Ų122.891%0.91365%0.652SS**  trans33.868.2139.7-65.3174.4174.3153.50115.8
199K55.3Low63.8Low188 Ų188123.5 Ų123.582%0.81765%0.653SS**  trans-129.1111.7173.7-85.8176.5171.91630114.1D197 K201D197-K199 PolarHBondContact O-N 3.39Å; D197-K199 VanDerWaalsContact O-N 3.13Å; K199-K201 PolarHBondContact O-N 3.14Å
200T58.8Low64.1Low120 Ų120121.1 Ų121.174%0.73664%0.643SS**  trans-5.395.115450.40000115.8G202T200-G202 VanDerWaalsContact C-N 3.31Å; T200-G202 PolarHBondContact O-N 3.06Å
201K56.6Low64.1Low214 Ų214121.6 Ų121.693%0.9364%0.642SS**  trans-76.378.3178.1-147.8159.1-173166.30110.5K199 R203K199-K201 PolarHBondContact O-N 3.14Å; K201-R203 PolarHBondContact O-N 2.98Å
202G55Low64.5Low32 Ų32121 Ų12133%0.3364%0.641SS.*  trans-75.4108.4176.200000112.1T200 T204T200-G202 VanDerWaalsContact C-N 3.31Å; T200-G202 PolarHBondContact O-N 3.06Å; G202-T204 PolarHBondContact O-N 3.22Å; G202-T204 PolarHBondContact O-OG1 2.67Å
203R59.3Low65Low253 Ų253122 Ų12296%0.95564%0.642SS**SBendtrans36.8-9.9153.5-142.9177.8-86.8-113.93.5122.5K201K201-R203 PolarHBondContact O-N 2.98Å
204T67.1Low65.5Low63 Ų63124.9 Ų124.939%0.38765%0.648SS.*SBendtrans-144.4129.8-175.648.90000108.2G202 W206 W211G202-T204 PolarHBondContact O-N 3.22Å; G202-T204 PolarHBondContact O-OG1 2.67Å; T204-W206 PolarHBondContact O-N 3.37Å; T204-W211 VanDerWaalsContact CB-CH2 3.42Å; T204-W211 HydrophobicContact CG2-CH2 3.58Å; T204-W211 HydrophobicContact CG2-CZ2 4.37Å; T204-W211 HydrophobicContact CG2-CZ3 4.42Å; T204-W211 WeakPolarHBondContact OG1-CH2 3.36Å; T204-W211 WeakPolarHBondContact OG1-CZ3 3.28Å
205G71.7Confident66.1Low90 Ų90127.2 Ų127.293%0.92865%0.652SS**SBendtrans-64.719.1-175.900000116
206W74.1Confident66.4Low162 Ų162132 Ų13261%0.61466%0.662SS**SBendtrans-106.8130.5174.4-72.688.1000109T204 Q208 V210 W211T204-W206 PolarHBondContact O-N 3.37Å; W206-Q208 PolarHBondContact O-N 3.3Å; W206-V210 HydrophobicContact CE3-CG1 4.43Å; W206-W211 HydrophobicContact CB-CZ2 4.17Å
207P76.7Confident66.2Low68 Ų68137.5 Ų137.544%0.44268%0.683SS.*  trans-58.1127174.8-21.231.9000110.6H209 V210P207-H209 WeakPolarHBondContact CB-ND1 3.45Å; P207-H209 PolarHBondContact O-N 3.39Å; P207-V210 HydrophobicContact CB-CG2 4.08Å; P207-V210 HydrophobicContact CG-CG2 4.26Å; P207-V210 WeakPolarHBondContact O-CB 3.1Å; P207-V210 PolarHBondContact O-N 3.14Å
208Q74.4Confident66.9Low123 Ų123138.4 Ų138.458%0.57569%0.685SS**Hα-helixtrans-52.1-33.3-176.7-85.3-172.9-1600113.9W206 V210 W211 A212W206-Q208 PolarHBondContact O-N 3.3Å; Q208-V210 VanDerWaalsContact C-N 3.28Å; Q208-V210 PolarHBondContact O-N 3.31Å; Q208-W211 PolarHBondContact O-N 3.46Å; Q208-A212 PolarHBondContact O-N 2.99Å
209H77.4Confident67.7Low122 Ų122134.6 Ų134.657%0.56567%0.673SS**Hα-helixtrans-65.1-30.5179.977-95.6000112.9P207 W211 A212 L213P207-H209 WeakPolarHBondContact CB-ND1 3.45Å; P207-H209 PolarHBondContact O-N 3.39Å; H209-W211 VanDerWaalsContact C-N 3.33Å; H209-W211 PolarHBondContact O-N 3.33Å; H209-A212 PolarHBondContact O-N 2.82Å; H209-L213 WeakPolarHBondContact O-CG 3.23Å; H209-L213 PolarHBondContact O-N 3.28Å
210V79.4Confident68.4Low57 Ų57131.6 Ų131.635%0.34567%0.665SS.*Hα-helixtrans-66.1-38.6178.9177.30000110.2W206 P207 Q208W206-V210 HydrophobicContact CE3-CG1 4.43Å; P207-V210 HydrophobicContact CB-CG2 4.08Å; P207-V210 HydrophobicContact CG-CG2 4.26Å; P207-V210 WeakPolarHBondContact O-CB 3.1Å; P207-V210 PolarHBondContact O-N 3.14Å; Q208-V210 VanDerWaalsContact C-N 3.28Å; Q208-V210 PolarHBondContact O-N 3.31Å
211W73.4Confident69Low126 Ų126132.3 Ų132.348%0.47766%0.661SS.*Hα-helixtrans-70.6-37173.6-73.1-24.8000113.7T204 W206 Q208 H209 L213 E214T204-W211 VanDerWaalsContact CB-CH2 3.42Å; T204-W211 HydrophobicContact CG2-CH2 3.58Å; T204-W211 HydrophobicContact CG2-CZ2 4.37Å; T204-W211 HydrophobicContact CG2-CZ3 4.42Å; T204-W211 WeakPolarHBondContact OG1-CH2 3.36Å; T204-W211 WeakPolarHBondContact OG1-CZ3 3.28Å; W206-W211 HydrophobicContact CB-CZ2 4.17Å; Q208-W211 PolarHBondContact O-N 3.46Å; H209-W211 VanDerWaalsContact C-N 3.33Å; H209-W211 PolarHBondContact O-N 3.33Å; W211-L213 PolarHBondContact O-N 3.37Å; W211-E214 PolarHBondContact O-N 3.35Å
212A76.6Confident69.7Low58 Ų58127.2 Ų127.248%0.47964%0.644SS.*Hα-helixtrans-66.3-28.2-178.700000112.7Q208 H209Q208-A212 PolarHBondContact O-N 2.99Å; H209-A212 PolarHBondContact O-N 2.82Å
213L76.3Confident70.7Confident120 Ų120133.5 Ų133.563%0.62867%0.665SS**Hα-helixtrans-73.7-34.7177-73.7166.4000112.6H209 W211 L215 K216H209-L213 WeakPolarHBondContact O-CG 3.23Å; H209-L213 PolarHBondContact O-N 3.28Å; W211-L213 PolarHBondContact O-N 3.37Å; L213-L215 PolarHBondContact O-N 2.74Å; L213-K216 PolarHBondContact O-N 2.99Å
214E72.6Confident71.5Confident169 Ų169125 Ų12579%0.7964%0.644SS**Hα-helixtrans-70.3-17.8179.2-160.367.1-145.700113W211W211-E214 PolarHBondContact O-N 3.35Å
215L70.4Confident71.9Confident151 Ų151129.8 Ų129.879%0.79166%0.664SS**THydrogen-bonded Turntrans-94.38178.7-71.1173.4000113.9L213L213-L215 PolarHBondContact O-N 2.74Å
216K64Low71.9Confident184 Ų184133.1 Ų133.180%0.864%0.642SS**  trans-116.222.7-170.5-107.6178.1169.5171.30115.3L213L213-K216 PolarHBondContact O-N 2.99Å
217Q47.4Very low71.7Confident257 Ų257130.5 Ų130.5100%1.20165%0.645SS**  trans-105.70161.6-65.9-152.1-2.600110.3

Retrieved 217 of 217 residues in 29.6 ms (Link to these results)