A0A096N885_PAPAN Loading...

Heart- and neural crest derivatives-expressed protein 2

AlphaFold DB (P61296), UniProt , Accession A0A096N885, Species PAPAN (Papio anubis, Olive baboon), Gene HAND2, Length 217 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
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 869.4 ms (Link to these results)