A0A087X459_POEFO Loading...

Family with sequence similarity 133 member B

AlphaFold DB , UniProt , Accession A0A087X459, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 263 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M55.2Low75.7Confident249 Ų249159.4 Ų159.4100%1.22780%0.797SS**  01430-57.1-177-163.800108.6
2G73.1Confident76.8Confident74 Ų74152.4 Ų152.476%0.76376%0.764SS**PPolyproline II helixtrans-77.9143.4-176.800000113.7R4G2-R4 PolarHBondContact O-N 3.09Å
3K74.6Confident77.9Confident215 Ų215146.8 Ų146.894%0.93575%0.745SS**PPolyproline II helixtrans-70.9122.8168.4-63.3177.3-178.21770108.2
4R74.8Confident78.4Confident226 Ų226143.6 Ų143.685%0.85373%0.729SS**PPolyproline II helixtrans-72.7145.5169.6-55-170.6-154.394.20.9108.8G2 N6G2-R4 PolarHBondContact O-N 3.09Å; R4-N6 PolarHBondContact O-N 2.89Å
5D77.8Confident78.8Confident101 Ų101137.7 Ų137.754%0.5471%0.711SS.*PPolyproline II helixtrans-75.5116.8178.3-161.9-26.4000110R7D5-R7 PolarHBondContact O-N 3.01Å; D5-R7 VanDerWaalsContact OD1-CB 3.24Å; D5-R7 WeakPolarHBondContact OD1-CB 3.46Å; D5-R7 VanDerWaalsContact OD1-CG 3.25Å; D5-R7 WeakPolarHBondContact OD1-CG 3.42Å; D5-R7 IonicContact OD1-CZ 2.66Å; D5-R7 PolarHBondContact OD1-N 2.87Å; D5-R7 IonicContact OD1-NE 2.63Å; D5-R7 PolarHBondContact OD1-NE 3.23Å; D5-R7 IonicContact OD1-NH2 3.9Å; D5-R7 IonicContact OD2-CZ 2.59Å; D5-R7 VanDerWaalsContact OD2-CZ 3.22Å; D5-R7 IonicContact OD2-NE 2.85Å; D5-R7 PolarHBondContact OD2-NE 3.25Å; D5-R7 IonicContact OD2-NH2 3.36Å; D5-R7 PolarHBondContact OD2-NH2 3.36Å
6N75.2Confident79.4Confident151 Ų151130.8 Ų130.881%0.80768%0.681SS**  trans-79.43.7179.7-73.1-13.6000112.9R4 V8R4-N6 PolarHBondContact O-N 2.89Å; N6-V8 PolarHBondContact O-N 3.02Å
7R77.9Confident79.7Confident205 Ų205126.9 Ų126.977%0.77467%0.672SS**  trans-72.863.3171.5-67178.5-73-170.21.2111.6D5 A9D5-R7 PolarHBondContact O-N 3.01Å; D5-R7 VanDerWaalsContact OD1-CB 3.24Å; D5-R7 WeakPolarHBondContact OD1-CB 3.46Å; D5-R7 VanDerWaalsContact OD1-CG 3.25Å; D5-R7 WeakPolarHBondContact OD1-CG 3.42Å; D5-R7 IonicContact OD1-CZ 2.66Å; D5-R7 PolarHBondContact OD1-N 2.87Å; D5-R7 IonicContact OD1-NE 2.63Å; D5-R7 PolarHBondContact OD1-NE 3.23Å; D5-R7 IonicContact OD1-NH2 3.9Å; D5-R7 IonicContact OD2-CZ 2.59Å; D5-R7 VanDerWaalsContact OD2-CZ 3.22Å; D5-R7 IonicContact OD2-NE 2.85Å; D5-R7 PolarHBondContact OD2-NE 3.25Å; D5-R7 IonicContact OD2-NH2 3.36Å; D5-R7 PolarHBondContact OD2-NH2 3.36Å; R7-A9 PolarHBondContact O-N 2.84Å; R7-A9 VanDerWaalsContact O-N 3.07Å
8V72.8Confident80Confident130 Ų130130.9 Ų130.979%0.78868%0.676SS**  trans-57.1112.2163.3179.50000107.2N6 Y10N6-V8 PolarHBondContact O-N 3.02Å; V8-Y10 PolarHBondContact O-N 3.02Å
9A78Confident80.1Confident80 Ų80128.6 Ų128.666%0.66168%0.679SS**  trans-60.2115.5177.800000109R7 I11R7-A9 PolarHBondContact O-N 2.84Å; R7-A9 VanDerWaalsContact O-N 3.07Å; A9-I11 VanDerWaalsContact C-N 3.33Å; A9-I11 PolarHBondContact O-N 3.26Å
10Y84.9Confident80.4Confident194 Ų194131.6 Ų131.676%0.76169%0.686SS**  trans-7091178.8179.1-99.5000110V8 N12V8-Y10 PolarHBondContact O-N 3.02Å; Y10-N12 HydrophobicContact CE1-CB 4.36Å; Y10-N12 PolarHBondContact O-N 2.89Å; Y10-N12 VanDerWaalsContact O-N 3.17Å
11I88.4Confident80.4Confident128 Ų128126.6 Ų126.666%0.65667%0.666SS**  trans-73.9105.3174.3-63.5171.6000107.5A9 P13 A16A9-I11 VanDerWaalsContact C-N 3.33Å; A9-I11 PolarHBondContact O-N 3.26Å; I11-P13 WeakPolarHBondContact O-CD 3.49Å; I11-P13 VanDerWaalsContact O-N 3.12Å; I11-A16 HydrophobicContact CG2-CB 3.84Å
12N89.4Confident81.6Confident76 Ų76120.7 Ų120.741%0.40665%0.647SS.*  trans-54.9116.9175.2176.6-33.5000109.7Y10 I14 A15 A16Y10-N12 HydrophobicContact CE1-CB 4.36Å; Y10-N12 PolarHBondContact O-N 2.89Å; Y10-N12 VanDerWaalsContact O-N 3.17Å; N12-I14 VanDerWaalsContact C-N 3.28Å; N12-I14 PolarHBondContact O-N 3.3Å; N12-I14 WeakPolarHBondContact OD1-CB 3.32Å; N12-I14 PolarHBondContact OD1-N 2.81Å; N12-A15 HydrophobicContact CB-CB 3.96Å; N12-A15 WeakPolarHBondContact O-CB 3.31Å; N12-A15 PolarHBondContact O-N 3.24Å; N12-A15 VanDerWaalsContact O-N 3.11Å; N12-A15 PolarHBondContact OD1-N 2.91Å; N12-A15 VanDerWaalsContact OD1-N 3.14Å; N12-A16 PolarHBondContact O-N 2.84Å
13P90.3Very high81.6Confident79 Ų79123.6 Ų123.651%0.51365%0.649SS.*Hα-helixtrans-67.6-28.7-172.325.8-34.2000112.6I11 A16 A17I11-P13 WeakPolarHBondContact O-CD 3.49Å; I11-P13 VanDerWaalsContact O-N 3.12Å; P13-A16 PolarHBondContact O-N 3.26Å; P13-A17 VanDerWaalsContact O-CB 3.24Å; P13-A17 WeakPolarHBondContact O-CB 3.34Å; P13-A17 PolarHBondContact O-N 3.14Å
14I84.8Confident81.5Confident103 Ų103121.1 Ų121.153%0.52864%0.641SS.*Hα-helixtrans-69.7-39.4175.4-54.7174.5000110N12 R18N12-I14 VanDerWaalsContact C-N 3.28Å; N12-I14 PolarHBondContact O-N 3.3Å; N12-I14 WeakPolarHBondContact OD1-CB 3.32Å; N12-I14 PolarHBondContact OD1-N 2.81Å; I14-R18 WeakPolarHBondContact O-CB 3.46Å; I14-R18 WeakPolarHBondContact O-CG 3.4Å; I14-R18 PolarHBondContact O-N 3.39Å
15A85.1Confident81.2Confident54 Ų54118 Ų11845%0.44664%0.641SS.*Hα-helixtrans-67.4-43.8174.200000111.5N12 R18 A19N12-A15 HydrophobicContact CB-CB 3.96Å; N12-A15 WeakPolarHBondContact O-CB 3.31Å; N12-A15 PolarHBondContact O-N 3.24Å; N12-A15 VanDerWaalsContact O-N 3.11Å; N12-A15 PolarHBondContact OD1-N 2.91Å; N12-A15 VanDerWaalsContact OD1-N 3.14Å; A15-R18 PolarHBondContact O-N 2.75Å; A15-A19 WeakPolarHBondContact O-CB 3.2Å; A15-A19 PolarHBondContact O-N 2.65Å
16A88.5Confident81.2Confident28 Ų28118.4 Ų118.423%0.23165%0.652CS.*Hα-helixtrans-63.4-41.5176.700000112.7I11 N12 P13 A19 K20I11-A16 HydrophobicContact CG2-CB 3.84Å; N12-A16 PolarHBondContact O-N 2.84Å; P13-A16 PolarHBondContact O-N 3.26Å; A16-A19 PolarHBondContact O-N 2.7Å; A16-K20 WeakPolarHBondContact O-CB 3.48Å; A16-K20 WeakPolarHBondContact O-CG 3.37Å; A16-K20 PolarHBondContact O-N 3.24Å
17A84.6Confident81.6Confident64 Ų64114.1 Ų114.153%0.52964%0.643SS.*Hα-helixtrans-65.5-36.4174.600000112.3P13 G21P13-A17 VanDerWaalsContact O-CB 3.24Å; P13-A17 WeakPolarHBondContact O-CB 3.34Å; P13-A17 PolarHBondContact O-N 3.14Å; A17-G21 PolarHBondContact O-N 3.22Å
18R84.4Confident81.9Confident199 Ų199106.8 Ų106.875%0.75162%0.622SS**Hα-helixtrans-68.5-40.1173.5-74.3171-176.6-177.73.1112.5I14 A15 G21I14-R18 WeakPolarHBondContact O-CB 3.46Å; I14-R18 WeakPolarHBondContact O-CG 3.4Å; I14-R18 PolarHBondContact O-N 3.39Å; A15-R18 PolarHBondContact O-N 2.75Å; R18-G21 PolarHBondContact O-N 3.1Å
19A82.9Confident82.5Confident88 Ų88104 Ų10473%0.72761%0.606SS**Hα-helixtrans-71.3-31.4178.400000113.3A15 A16A15-A19 WeakPolarHBondContact O-CB 3.2Å; A15-A19 PolarHBondContact O-N 2.65Å; A16-A19 PolarHBondContact O-N 2.7Å
20K85.5Confident82.8Confident188 Ų188106.5 Ų106.582%0.81761%0.606SS**SBendtrans-85-9.7172.1-67.5179.3178.7-174.70113.6A16A16-K20 WeakPolarHBondContact O-CB 3.48Å; A16-K20 WeakPolarHBondContact O-CG 3.37Å; A16-K20 PolarHBondContact O-N 3.24Å
21G80.2Confident82.9Confident27 Ų27103.6 Ų103.628%0.27860%0.6SS.*SBendtrans-77163.1-179.600000112.6A17 R18 V23A17-G21 PolarHBondContact O-N 3.22Å; R18-G21 PolarHBondContact O-N 3.1Å; G21-V23 PolarHBondContact O-N 2.95Å
22P79.4Confident82.9Confident125 Ų125101.3 Ų101.381%0.81259%0.589SS**PPolyproline II helixtrans-55.2131.1172.4-24.534.5000111.2Q24P22-Q24 PolarHBondContact O-N 2.77Å; P22-Q24 VanDerWaalsContact O-N 3.14Å
23V74.4Confident82.6Confident134 Ų134104.3 Ų104.381%0.81260%0.595SS**PPolyproline II helixtrans-53.6120.3-177.8178.60000109.9G21 N25G21-V23 PolarHBondContact O-N 2.95Å; V23-N25 PolarHBondContact O-N 2.77Å
24Q72.5Confident82.5Confident163 Ų163106.5 Ų106.576%0.76260%0.602SS**PPolyproline II helixtrans-51.4134.1175.8-68.3-77.9-74.900109.4P22 S26P22-Q24 PolarHBondContact O-N 2.77Å; P22-Q24 VanDerWaalsContact O-N 3.14Å; Q24-S26 PolarHBondContact O-N 2.91Å
25N68.6Low82.7Confident161 Ų161106.4 Ų106.486%0.86161%0.611SS**  trans-7364.2-168.6-46.786.7000112.6V23 G27V23-N25 PolarHBondContact O-N 2.77Å; N25-G27 PolarHBondContact O-N 3.44Å
26S77.7Confident82.8Confident110 Ų110109.6 Ų109.677%0.76961%0.611SS**  trans-75.747.9-169.8-172.60000113.6Q24Q24-S26 PolarHBondContact O-N 2.91Å
27G82.4Confident82.6Confident61 Ų61114.2 Ų114.263%0.62964%0.639SS**SBendtrans66-157.6-173.600000112.6N25N25-G27 PolarHBondContact O-N 3.44Å
28P84.1Confident82.6Confident51 Ų51121.2 Ų121.233%0.33165%0.652SS.*SBendtrans-66.5138.5166.5-11.227.8000109.9D32 Y33P28-D32 WeakPolarHBondContact CA-OD2 3.16Å; P28-D32 HydrophobicContact CB-CB 3.58Å; P28-D32 WeakPolarHBondContact CB-OD2 3.32Å; P28-Y33 HydrophobicContact CB-CD2 4.39Å; P28-Y33 HydrophobicContact CB-CE2 3.79Å; P28-Y33 HydrophobicContact CG-CE2 4.14Å
29T86.6Confident82.4Confident71 Ų71115 Ų11544%0.43664%0.637SS.*  trans-67.3162.9175175.20000111.1Q31 D32 Y33T29-Q31 HydrophobicContact CG2-CB 4.06Å; T29-Q31 PolarHBondContact O-N 2.8Å; T29-D32 HydrophobicContact CG2-CB 4.19Å; T29-D32 WeakPolarHBondContact CG2-OD1 3.26Å; T29-D32 WeakPolarHBondContact CG2-OD2 3.34Å; T29-D32 PolarHBondContact N-OD2 2.91Å; T29-D32 WeakPolarHBondContact O-CA 3.03Å; T29-D32 VanDerWaalsContact O-CB 3.25Å; T29-D32 WeakPolarHBondContact O-CB 3.49Å; T29-D32 PolarHBondContact O-N 3.09Å; T29-Y33 VanDerWaalsContact O-CD2 3.32Å; T29-Y33 WeakPolarHBondContact O-CD2 3.3Å; T29-Y33 PolarHBondContact O-N 3.11Å
30I83.3Confident82.4Confident132 Ų132114 Ų11468%0.67762%0.622SS**SBendtrans-56.3-36176.8-63.4170000110.6D32 Y33 L34I30-D32 VanDerWaalsContact C-N 3.33Å; I30-D32 PolarHBondContact O-N 3.06Å; I30-Y33 PolarHBondContact O-N 2.99Å; I30-L34 HydrophobicContact CG2-CD1 4.23Å; I30-L34 PolarHBondContact O-N 3.49Å; I30-L34 VanDerWaalsContact O-N 3.1Å
31Q87.3Confident82Confident134 Ų134115.2 Ų115.263%0.62662%0.621SS**Hα-helixtrans-61.3-38.5171.8-69.3173.2-25.800112.2T29 Y33 L34 S35T29-Q31 HydrophobicContact CG2-CB 4.06Å; T29-Q31 PolarHBondContact O-N 2.8Å; Q31-Y33 PolarHBondContact O-N 3.46Å; Q31-Y33 VanDerWaalsContact O-N 3.12Å; Q31-L34 PolarHBondContact O-N 3.27Å; Q31-S35 VanDerWaalsContact O-CB 3.31Å; Q31-S35 WeakPolarHBondContact O-CB 3.41Å; Q31-S35 PolarHBondContact O-N 2.82Å; Q31-S35 PolarHBondContact O-OG 3.47Å
32D88.1Confident82Confident80 Ų80121.2 Ų121.243%0.42864%0.642SS.*Hα-helixtrans-66.2-12.6175-61.4-25.5000112.8P28 T29 I30 R36P28-D32 WeakPolarHBondContact CA-OD2 3.16Å; P28-D32 HydrophobicContact CB-CB 3.58Å; P28-D32 WeakPolarHBondContact CB-OD2 3.32Å; T29-D32 HydrophobicContact CG2-CB 4.19Å; T29-D32 WeakPolarHBondContact CG2-OD1 3.26Å; T29-D32 WeakPolarHBondContact CG2-OD2 3.34Å; T29-D32 PolarHBondContact N-OD2 2.91Å; T29-D32 WeakPolarHBondContact O-CA 3.03Å; T29-D32 VanDerWaalsContact O-CB 3.25Å; T29-D32 WeakPolarHBondContact O-CB 3.49Å; T29-D32 PolarHBondContact O-N 3.09Å; I30-D32 VanDerWaalsContact C-N 3.33Å; I30-D32 PolarHBondContact O-N 3.06Å; D32-R36 WeakPolarHBondContact O-CD 3.05Å; D32-R36 VanDerWaalsContact O-CG 3.28Å; D32-R36 WeakPolarHBondContact O-CG 3.45Å; D32-R36 PolarHBondContact O-NE 3.17Å; D32-R36 PolarHBondContact O-NH2 3.23Å
33Y84.4Confident81.9Confident138 Ų138120 Ų12054%0.54163%0.625SS.*Hα-helixtrans-93.5-39.9171-72.1-84.4000111.9P28 T29 I30 Q31P28-Y33 HydrophobicContact CB-CD2 4.39Å; P28-Y33 HydrophobicContact CB-CE2 3.79Å; P28-Y33 HydrophobicContact CG-CE2 4.14Å; T29-Y33 VanDerWaalsContact O-CD2 3.32Å; T29-Y33 WeakPolarHBondContact O-CD2 3.3Å; T29-Y33 PolarHBondContact O-N 3.11Å; I30-Y33 PolarHBondContact O-N 2.99Å; Q31-Y33 PolarHBondContact O-N 3.46Å; Q31-Y33 VanDerWaalsContact O-N 3.12Å
34L88.3Confident82.3Confident125 Ų125116.5 Ų116.565%0.65460%0.602SS**Hα-helixtrans-68.5-37.4177.8-65173.6000112.5I30 Q31 R36I30-L34 HydrophobicContact CG2-CD1 4.23Å; I30-L34 PolarHBondContact O-N 3.49Å; I30-L34 VanDerWaalsContact O-N 3.1Å; Q31-L34 PolarHBondContact O-N 3.27Å; L34-R36 VanDerWaalsContact C-N 3.31Å; L34-R36 PolarHBondContact O-N 2.78Å
35S87.6Confident82.7Confident101 Ų101114.9 Ų114.971%0.70659%0.592SS**THydrogen-bonded Turntrans-859.4-179.1-57.50000114.5Q31Q31-S35 VanDerWaalsContact O-CB 3.31Å; Q31-S35 WeakPolarHBondContact O-CB 3.41Å; Q31-S35 PolarHBondContact O-N 2.82Å; Q31-S35 PolarHBondContact O-OG 3.47Å
36R88.5Confident83.2Confident121 Ų121111.6 Ų111.646%0.45757%0.572SS.*SBendtrans-73.8140173.6-76.1172.3-160.6-152.63.9110.4D32 L34 R38D32-R36 WeakPolarHBondContact O-CD 3.05Å; D32-R36 VanDerWaalsContact O-CG 3.28Å; D32-R36 WeakPolarHBondContact O-CG 3.45Å; D32-R36 PolarHBondContact O-NE 3.17Å; D32-R36 PolarHBondContact O-NH2 3.23Å; L34-R36 VanDerWaalsContact C-N 3.31Å; L34-R36 PolarHBondContact O-N 2.78Å; R36-R38 PolarHBondContact O-N 3.16Å
37P84.3Confident83.2Confident125 Ų125110.4 Ų110.481%0.81255%0.554SS**PPolyproline II helixtrans-57118.7159.326.7-32.4000107.3
38R84.4Confident82.9Confident212 Ų212112.2 Ų112.280%0.855%0.549SS*.PPolyproline II helixtrans-68.9131.8173.6-62.2-176.4-178.4-161.81106.8R36 T40R36-R38 PolarHBondContact O-N 3.16Å; R38-T40 PolarHBondContact O-N 3.16Å
39P80.4Confident82.5Confident67 Ų67113 Ų11344%0.43555%0.548SS..PPolyproline II helixtrans-59.7134.5179.826.6-34.6000109E43 L44P39-E43 VanDerWaalsContact CA-OE2 3.27Å; P39-E43 WeakPolarHBondContact CA-OE2 3.48Å; P39-L44 HydrophobicContact CB-CD2 4.21Å; P39-L44 HydrophobicContact CB-CG 4.2Å; P39-L44 HydrophobicContact CG-CD1 4.43Å; P39-L44 HydrophobicContact CG-CD2 4.03Å; P39-L44 HydrophobicContact CG-CG 4.22Å
40T82.6Confident81.9Confident67 Ų67115.3 Ų115.341%0.41155%0.552SS.*PPolyproline II helixtrans-68159.7-177.972.30000110.2R38 E42 E43 L44R38-T40 PolarHBondContact O-N 3.16Å; T40-E42 PolarHBondContact O-N 3.18Å; T40-E43 PolarHBondContact N-OE2 2.93Å; T40-E43 PolarHBondContact O-N 2.79Å; T40-E43 WeakPolarHBondContact OG1-CG 3.36Å; T40-E43 PolarHBondContact OG1-N 2.74Å; T40-L44 WeakPolarHBondContact O-CG 3.45Å; T40-L44 PolarHBondContact O-N 2.7Å
41W77.8Confident81.5Confident214 Ų214115.6 Ų115.681%0.81155%0.549SS*.Hα-helixtrans-61-29.6176.1-165.8-114.3000111.8L44 K45W41-L44 HydrophobicContact CE3-CD1 4.09Å; W41-L44 HydrophobicContact CZ3-CD1 4.39Å; W41-L44 PolarHBondContact O-N 3.43Å; W41-K45 VanDerWaalsContact O-CB 3.31Å; W41-K45 WeakPolarHBondContact O-CB 3.36Å; W41-K45 PolarHBondContact O-N 2.91Å
42E79.4Confident80.7Confident154 Ų154117 Ų11772%0.7255%0.553SS**Hα-helixtrans-69.6-46.2174.4-57.3179.2149.700111.7T40 L44 K45 E46T40-E42 PolarHBondContact O-N 3.18Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.12Å; E42-K45 PolarHBondContact O-N 3.18Å; E42-E46 VanDerWaalsContact O-CB 3.31Å; E42-E46 WeakPolarHBondContact O-CB 3.21Å; E42-E46 PolarHBondContact O-N 3.3Å
43E78.2Confident79.7Confident98 Ų98119 Ų11946%0.45856%0.558SS.*Hα-helixtrans-61.7-37.6172.5-73.1178.7159.600112P39 T40 E46 Q47P39-E43 VanDerWaalsContact CA-OE2 3.27Å; P39-E43 WeakPolarHBondContact CA-OE2 3.48Å; T40-E43 PolarHBondContact N-OE2 2.93Å; T40-E43 PolarHBondContact O-N 2.79Å; T40-E43 WeakPolarHBondContact OG1-CG 3.36Å; T40-E43 PolarHBondContact OG1-N 2.74Å; E43-E46 PolarHBondContact O-N 2.75Å; E43-Q47 VanDerWaalsContact O-CB 3.26Å; E43-Q47 WeakPolarHBondContact O-CB 3.46Å; E43-Q47 WeakPolarHBondContact O-CG 3.22Å; E43-Q47 PolarHBondContact O-N 2.95Å
44L82.1Confident78.4Confident61 Ų61115.3 Ų115.332%0.31956%0.561SS.*Hα-helixtrans-68.2-40.6175.2-72.3176.3000112.1P39 T40 W41 E42 Q47 L48P39-L44 HydrophobicContact CB-CD2 4.21Å; P39-L44 HydrophobicContact CB-CG 4.2Å; P39-L44 HydrophobicContact CG-CD1 4.43Å; P39-L44 HydrophobicContact CG-CD2 4.03Å; P39-L44 HydrophobicContact CG-CG 4.22Å; T40-L44 WeakPolarHBondContact O-CG 3.45Å; T40-L44 PolarHBondContact O-N 2.7Å; W41-L44 HydrophobicContact CE3-CD1 4.09Å; W41-L44 HydrophobicContact CZ3-CD1 4.39Å; W41-L44 PolarHBondContact O-N 3.43Å; E42-L44 VanDerWaalsContact C-N 3.3Å; E42-L44 PolarHBondContact O-N 3.12Å; L44-Q47 PolarHBondContact O-N 2.68Å; L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.3Å
45K80.9Confident76.8Confident129 Ų129112.8 Ų112.856%0.56155%0.554SS**Hα-helixtrans-62.5-46.3172.7-177.2-177.1175.7-172.70110.7W41 E42 Q47 L48 E49W41-K45 VanDerWaalsContact O-CB 3.31Å; W41-K45 WeakPolarHBondContact O-CB 3.36Å; W41-K45 PolarHBondContact O-N 2.91Å; E42-K45 PolarHBondContact O-N 3.18Å; K45-Q47 PolarHBondContact O-N 3.3Å; K45-L48 PolarHBondContact O-N 3.17Å; K45-E49 WeakPolarHBondContact O-CB 3.41Å; K45-E49 WeakPolarHBondContact O-CG 3.27Å; K45-E49 PolarHBondContact O-N 3.4Å
46E79.1Confident75.6Confident92 Ų92115.5 Ų115.543%0.4355%0.549SS..Hα-helixtrans-67.7-34.5178.8-158.8-130.3-169.800111.9E42 E43 E49 K50E42-E46 VanDerWaalsContact O-CB 3.31Å; E42-E46 WeakPolarHBondContact O-CB 3.21Å; E42-E46 PolarHBondContact O-N 3.3Å; E43-E46 PolarHBondContact O-N 2.75Å; E46-E49 PolarHBondContact O-N 3.37Å; E46-K50 VanDerWaalsContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CB 3.42Å; E46-K50 VanDerWaalsContact O-CG 3.26Å; E46-K50 WeakPolarHBondContact O-CG 3.19Å; E46-K50 PolarHBondContact O-N 3.2Å; E46-K50 WeakPolarHBondContact OE1-CE 3.45Å; E46-K50 IonicContact OE1-NZ 2.67Å; E46-K50 PolarHBondContact OE1-NZ 3.45Å; E46-K50 VanDerWaalsContact OE2-CE 3.3Å; E46-K50 WeakPolarHBondContact OE2-CE 3.49Å; E46-K50 IonicContact OE2-NZ 3.99Å; E46-K50 PolarHBondContact OE2-NZ 2.76Å
47Q78.3Confident74.5Confident86 Ų86113.5 Ų113.540%0.40256%0.558SS.*Hα-helixtrans-69.1-39.2170.2-78.2-178.84100112.9E43 L44 K45 E49 K50 K51E43-Q47 VanDerWaalsContact O-CB 3.26Å; E43-Q47 WeakPolarHBondContact O-CB 3.46Å; E43-Q47 WeakPolarHBondContact O-CG 3.22Å; E43-Q47 PolarHBondContact O-N 2.95Å; L44-Q47 PolarHBondContact O-N 2.68Å; K45-Q47 PolarHBondContact O-N 3.3Å; Q47-E49 VanDerWaalsContact C-N 3.33Å; Q47-K50 PolarHBondContact O-N 2.9Å; Q47-K51 WeakPolarHBondContact O-CB 3.39Å; Q47-K51 VanDerWaalsContact O-CG 3.26Å; Q47-K51 WeakPolarHBondContact O-CG 3.39Å; Q47-K51 PolarHBondContact O-N 2.87Å
48L76.4Confident73.4Confident99 Ų99112.8 Ų112.852%0.51855%0.547SS..Hα-helixtrans-64.2-40.3172.6-83.2165.9000110.9L44 K45 K51 K52L44-L48 WeakPolarHBondContact O-CB 3.48Å; L44-L48 WeakPolarHBondContact O-CG 3.42Å; L44-L48 PolarHBondContact O-N 3.3Å; K45-L48 PolarHBondContact O-N 3.17Å; L48-K51 PolarHBondContact O-N 2.84Å; L48-K52 WeakPolarHBondContact O-CB 3.13Å; L48-K52 VanDerWaalsContact O-CG 3.28Å; L48-K52 WeakPolarHBondContact O-CG 3.28Å; L48-K52 PolarHBondContact O-N 2.89Å
49E75Confident72.7Confident67 Ų67104.4 Ų104.431%0.31352%0.523SS..Hα-helixtrans-65.9-42.6172-78.5-172.2-139.100112.3K45 E46 Q47 K51 K52 K53K45-E49 WeakPolarHBondContact O-CB 3.41Å; K45-E49 WeakPolarHBondContact O-CG 3.27Å; K45-E49 PolarHBondContact O-N 3.4Å; E46-E49 PolarHBondContact O-N 3.37Å; Q47-E49 VanDerWaalsContact C-N 3.33Å; E49-K51 VanDerWaalsContact C-N 3.28Å; E49-K51 PolarHBondContact O-N 2.97Å; E49-K52 PolarHBondContact O-N 2.59Å; E49-K53 HydrophobicContact CB-CD 4.41Å; E49-K53 WeakPolarHBondContact O-CB 3.38Å; E49-K53 WeakPolarHBondContact O-CD 3.24Å; E49-K53 WeakPolarHBondContact O-CG 3.4Å; E49-K53 PolarHBondContact O-N 3.31Å; E49-K53 WeakPolarHBondContact OE2-CE 3.44Å; E49-K53 IonicContact OE2-NZ 3.22Å; E49-K53 PolarHBondContact OE2-NZ 3.4Å
50K74.4Confident72.2Confident119 Ų119105.3 Ų105.352%0.51752%0.524SS..Hα-helixtrans-64-31.6173.8-78.3168.3175.11680112.2E46 Q47 G54E46-K50 VanDerWaalsContact O-CB 3.31Å; E46-K50 WeakPolarHBondContact O-CB 3.42Å; E46-K50 VanDerWaalsContact O-CG 3.26Å; E46-K50 WeakPolarHBondContact O-CG 3.19Å; E46-K50 PolarHBondContact O-N 3.2Å; E46-K50 WeakPolarHBondContact OE1-CE 3.45Å; E46-K50 IonicContact OE1-NZ 2.67Å; E46-K50 PolarHBondContact OE1-NZ 3.45Å; E46-K50 VanDerWaalsContact OE2-CE 3.3Å; E46-K50 WeakPolarHBondContact OE2-CE 3.49Å; E46-K50 IonicContact OE2-NZ 3.99Å; E46-K50 PolarHBondContact OE2-NZ 2.76Å; Q47-K50 PolarHBondContact O-N 2.9Å; K50-G54 WeakPolarHBondContact O-CA 3.47Å; K50-G54 PolarHBondContact O-N 2.79Å
51K74.1Confident71.6Confident139 Ų139108.4 Ų108.460%0.60453%0.532SS*.Hα-helixtrans-70-47.8170.8-74165.1-177.8170.80111.5Q47 L48 E49 K53 G54Q47-K51 WeakPolarHBondContact O-CB 3.39Å; Q47-K51 VanDerWaalsContact O-CG 3.26Å; Q47-K51 WeakPolarHBondContact O-CG 3.39Å; Q47-K51 PolarHBondContact O-N 2.87Å; L48-K51 PolarHBondContact O-N 2.84Å; E49-K51 VanDerWaalsContact C-N 3.28Å; E49-K51 PolarHBondContact O-N 2.97Å; K51-K53 VanDerWaalsContact C-N 3.32Å; K51-K53 PolarHBondContact O-N 3.31Å; K51-G54 PolarHBondContact O-N 2.65Å; K51-G54 VanDerWaalsContact O-N 3.09Å
52K70.3Confident71.4Confident164 Ų164103.5 Ų103.571%0.71352%0.518SS*.Hα-helixtrans-59-39.8173.5-71.9170.7178.9-1770112.4L48 E49L48-K52 WeakPolarHBondContact O-CB 3.13Å; L48-K52 VanDerWaalsContact O-CG 3.28Å; L48-K52 WeakPolarHBondContact O-CG 3.28Å; L48-K52 PolarHBondContact O-N 2.89Å; E49-K52 PolarHBondContact O-N 2.59Å
53K66.4Low71.1Confident122 Ų122100.6 Ų100.653%0.5351%0.507SS..Hα-helixtrans-78.5-18.5176.2-65163-167.4173.20112.4E49 K51 R56E49-K53 HydrophobicContact CB-CD 4.41Å; E49-K53 WeakPolarHBondContact O-CB 3.38Å; E49-K53 WeakPolarHBondContact O-CD 3.24Å; E49-K53 WeakPolarHBondContact O-CG 3.4Å; E49-K53 PolarHBondContact O-N 3.31Å; E49-K53 WeakPolarHBondContact OE2-CE 3.44Å; E49-K53 IonicContact OE2-NZ 3.22Å; E49-K53 PolarHBondContact OE2-NZ 3.4Å; K51-K53 VanDerWaalsContact C-N 3.32Å; K51-K53 PolarHBondContact O-N 3.31Å; K53-R56 WeakPolarHBondContact O-CB 3.42Å; K53-R56 PolarHBondContact O-N 2.75Å; K53-R56 VanDerWaalsContact O-N 3.16Å
54G57.1Low71.2Confident59 Ų59102.1 Ų102.161%0.60851%0.512SS*.Hα-helixtrans-67-35.7174.900000112.7K50 K51 R56K50-G54 WeakPolarHBondContact O-CA 3.47Å; K50-G54 PolarHBondContact O-N 2.79Å; K51-G54 PolarHBondContact O-N 2.65Å; K51-G54 VanDerWaalsContact O-N 3.09Å; G54-R56 PolarHBondContact O-N 3.3Å
55S56.3Low70.6Confident72 Ų72102.8 Ų102.850%0.50352%0.515SS..THydrogen-bonded Turntrans-74.2-6.8172.7-49.90000113.9A57 L58 A59S55-A57 VanDerWaalsContact C-N 3.29Å; S55-A57 PolarHBondContact O-N 3.44Å; S55-L58 WeakPolarHBondContact O-CB 3.31Å; S55-L58 PolarHBondContact O-N 3.38Å; S55-A59 PolarHBondContact O-N 2.88Å; S55-A59 VanDerWaalsContact O-N 3.16Å
56R61.6Low70.4Confident159 Ų15999.9 Ų99.960%0.651%0.505SS*.Hα-helixtrans-58.2-39.1-171.8-169.768.8174.6-134-6.1112.5K53 G54 L58 A59 D60K53-R56 WeakPolarHBondContact O-CB 3.42Å; K53-R56 PolarHBondContact O-N 2.75Å; K53-R56 VanDerWaalsContact O-N 3.16Å; G54-R56 PolarHBondContact O-N 3.3Å; R56-L58 PolarHBondContact O-N 3.37Å; R56-A59 PolarHBondContact O-N 3.5Å; R56-A59 VanDerWaalsContact O-N 3.15Å; R56-D60 IonicContact NE-OD1 3.96Å; R56-D60 PolarHBondContact NE-OD1 2.75Å; R56-D60 WeakPolarHBondContact O-CB 3.39Å; R56-D60 PolarHBondContact O-N 2.91Å
57A64.9Low70.3Confident79 Ų79100.1 Ų100.165%0.65351%0.507SS*.Hα-helixtrans-67.8-18.5178.800000114.5S55S55-A57 VanDerWaalsContact C-N 3.29Å; S55-A57 PolarHBondContact O-N 3.44Å
58L62.6Low70.3Confident110 Ų110104.3 Ų104.358%0.57652%0.519SS*.Hα-helixtrans-82.6-46.1168.1-79165.3000110.4S55 R56 D60 F61 E62S55-L58 WeakPolarHBondContact O-CB 3.31Å; S55-L58 PolarHBondContact O-N 3.38Å; R56-L58 PolarHBondContact O-N 3.37Å; L58-D60 VanDerWaalsContact C-N 3.35Å; L58-D60 PolarHBondContact O-N 2.97Å; L58-F61 CarbonylContact O-C 3.59Å; L58-F61 WeakPolarHBondContact O-CA 3.3Å; L58-F61 WeakPolarHBondContact O-CB 3.19Å; L58-F61 PolarHBondContact O-N 2.66Å; L58-E62 WeakPolarHBondContact O-CG 3.45Å; L58-E62 PolarHBondContact O-N 2.9Å
59A69.3Low70.4Confident35 Ų35106.9 Ų106.929%0.28952%0.522SS..Hα-helixtrans-56.7-45.5175.400000112.3S55 R56 F61 E62 D63S55-A59 PolarHBondContact O-N 2.88Å; S55-A59 VanDerWaalsContact O-N 3.16Å; R56-A59 PolarHBondContact O-N 3.5Å; R56-A59 VanDerWaalsContact O-N 3.15Å; A59-F61 PolarHBondContact O-N 2.8Å; A59-E62 PolarHBondContact O-N 3.36Å; A59-D63 WeakPolarHBondContact O-CB 3.47Å; A59-D63 PolarHBondContact O-N 3.21Å
60D70.3Confident70.8Confident86 Ų86113.1 Ų113.146%0.4654%0.542SS..Hα-helixtrans-63.7-21.6176.9-58.6-27.7000112.5R56 L58 K64R56-D60 IonicContact NE-OD1 3.96Å; R56-D60 PolarHBondContact NE-OD1 2.75Å; R56-D60 WeakPolarHBondContact O-CB 3.39Å; R56-D60 PolarHBondContact O-N 2.91Å; L58-D60 VanDerWaalsContact C-N 3.35Å; L58-D60 PolarHBondContact O-N 2.97Å; D60-K64 WeakPolarHBondContact O-CB 3.12Å
61F68.3Low71.1Confident133 Ų133113.5 Ų113.558%0.58354%0.544SS*.Hα-helixtrans-88-39.7174.5-179-91.6000112.2L58 A59 K64 M65L58-F61 CarbonylContact O-C 3.59Å; L58-F61 WeakPolarHBondContact O-CA 3.3Å; L58-F61 WeakPolarHBondContact O-CB 3.19Å; L58-F61 PolarHBondContact O-N 2.66Å; A59-F61 PolarHBondContact O-N 2.8Å; F61-K64 WeakPolarHBondContact O-CB 3.25Å; F61-K64 PolarHBondContact O-N 3.23Å; F61-M65 PolarHBondContact O-N 3.06Å
62E73.8Confident71.3Confident110 Ų110111 Ų11151%0.51454%0.535SS..Hα-helixtrans-62.1-46.1172.6-71.9164.7-164.500110.6L58 A59 K64 M65 N66L58-E62 WeakPolarHBondContact O-CG 3.45Å; L58-E62 PolarHBondContact O-N 2.9Å; A59-E62 PolarHBondContact O-N 3.36Å; E62-K64 VanDerWaalsContact C-N 3.29Å; E62-K64 PolarHBondContact O-N 3.42Å; E62-M65 CarbonylContact O-C 3.59Å; E62-M65 WeakPolarHBondContact O-CA 3.3Å; E62-M65 WeakPolarHBondContact O-CB 3.45Å; E62-M65 PolarHBondContact O-N 3.18Å; E62-N66 VanDerWaalsContact O-CG 3.28Å; E62-N66 PolarHBondContact O-N 3.18Å; E62-N66 PolarHBondContact O-ND2 3.49Å
63D74.3Confident71.8Confident93 Ų93109.2 Ų109.250%0.49753%0.532SS..Hα-helixtrans-62-35.4175-83-24.6000112.5A59 M65 N66 E67A59-D63 WeakPolarHBondContact O-CB 3.47Å; A59-D63 PolarHBondContact O-N 3.21Å; D63-M65 PolarHBondContact O-N 3.35Å; D63-N66 CarbonylContact O-C 3.47Å; D63-N66 PolarHBondContact O-N 3.5Å; D63-E67 WeakPolarHBondContact O-CB 3.39Å; D63-E67 PolarHBondContact O-N 2.79Å
64K79.1Confident72.4Confident130 Ų130106.1 Ų106.157%0.56553%0.529SS*.Hα-helixtrans-66.5-24.7174.1-173.3174.3-177.31740113.4D60 F61 E62D60-K64 WeakPolarHBondContact O-CB 3.12Å; F61-K64 WeakPolarHBondContact O-CB 3.25Å; F61-K64 PolarHBondContact O-N 3.23Å; E62-K64 VanDerWaalsContact C-N 3.29Å; E62-K64 PolarHBondContact O-N 3.42Å
65M69.9Low73.5Confident76 Ų76108.5 Ų108.537%0.37452%0.523SS..Hα-helixtrans-84-44170.5-68.7-68.7-74.800111F61 E62 D63 E67 R68 W69F61-M65 PolarHBondContact O-N 3.06Å; E62-M65 CarbonylContact O-C 3.59Å; E62-M65 WeakPolarHBondContact O-CA 3.3Å; E62-M65 WeakPolarHBondContact O-CB 3.45Å; E62-M65 PolarHBondContact O-N 3.18Å; D63-M65 PolarHBondContact O-N 3.35Å; M65-E67 VanDerWaalsContact C-N 3.26Å; M65-E67 PolarHBondContact O-N 3.45Å; M65-R68 WeakPolarHBondContact O-CB 3.31Å; M65-R68 PolarHBondContact O-N 2.76Å; M65-W69 HydrophobicContact CB-CH2 4.36Å; M65-W69 HydrophobicContact CB-CZ3 4.18Å; M65-W69 HydrophobicContact CE-CH2 4.48Å; M65-W69 HydrophobicContact CE-CZ2 4.34Å; M65-W69 PolarHBondContact O-N 3.36Å
66N76.3Confident74.7Confident67 Ų67108 Ų10836%0.35851%0.514SS..Hα-helixtrans-58.3-36.5174.6-67.2-31.1000112.1E62 D63 R68 W69 R70E62-N66 VanDerWaalsContact O-CG 3.28Å; E62-N66 PolarHBondContact O-N 3.18Å; E62-N66 PolarHBondContact O-ND2 3.49Å; D63-N66 CarbonylContact O-C 3.47Å; D63-N66 PolarHBondContact O-N 3.5Å; N66-R68 VanDerWaalsContact C-N 3.28Å; N66-R68 PolarHBondContact O-N 3.49Å; N66-W69 PolarHBondContact O-N 2.81Å; N66-R70 VanDerWaalsContact O-CB 3.3Å; N66-R70 WeakPolarHBondContact O-CB 3.28Å; N66-R70 WeakPolarHBondContact O-CG 3.22Å; N66-R70 PolarHBondContact O-N 3.26Å
67E78.6Confident75.7Confident98 Ų98108.8 Ų108.846%0.45852%0.517SS..Hα-helixtrans-55.3-41.9171.6-95.7-164-131.200112.2D63 M65 R70 K71D63-E67 WeakPolarHBondContact O-CB 3.39Å; D63-E67 PolarHBondContact O-N 2.79Å; M65-E67 VanDerWaalsContact C-N 3.26Å; M65-E67 PolarHBondContact O-N 3.45Å; E67-R70 PolarHBondContact O-N 2.81Å; E67-K71 VanDerWaalsContact O-CB 3.28Å; E67-K71 WeakPolarHBondContact O-CB 3.25Å; E67-K71 WeakPolarHBondContact O-CD 3.03Å; E67-K71 WeakPolarHBondContact O-CG 3.48Å; E67-K71 PolarHBondContact O-N 3.37Å; E67-K71 IonicContact OE2-NZ 3.91Å; E67-K71 PolarHBondContact OE2-NZ 3.46Å
68R77.9Confident76Confident174 Ų174111.4 Ų111.466%0.65752%0.516SS*.Hα-helixtrans-69.6-42.2-179.3-67.1177.8167.8-155.6-7.1110.7M65 N66 K71 E72M65-R68 WeakPolarHBondContact O-CB 3.31Å; M65-R68 PolarHBondContact O-N 2.76Å; N66-R68 VanDerWaalsContact C-N 3.28Å; N66-R68 PolarHBondContact O-N 3.49Å; R68-K71 PolarHBondContact O-N 2.88Å; R68-E72 WeakPolarHBondContact O-CB 3.38Å; R68-E72 PolarHBondContact O-N 3.37Å
69W78.5Confident76.5Confident153 Ų153111 Ų11158%0.5851%0.51SS*.Hα-helixtrans-67.8-40.1173.7-63.7-44.5000112.5M65 N66 K71 E72 L73M65-W69 HydrophobicContact CB-CH2 4.36Å; M65-W69 HydrophobicContact CB-CZ3 4.18Å; M65-W69 HydrophobicContact CE-CH2 4.48Å; M65-W69 HydrophobicContact CE-CZ2 4.34Å; M65-W69 PolarHBondContact O-N 3.36Å; N66-W69 PolarHBondContact O-N 2.81Å; W69-K71 VanDerWaalsContact C-N 3.33Å; W69-K71 PolarHBondContact O-N 3.23Å; W69-E72 PolarHBondContact O-N 2.87Å; W69-L73 VanDerWaalsContact O-CB 3.25Å; W69-L73 WeakPolarHBondContact O-CB 3.33Å; W69-L73 VanDerWaalsContact O-CG 3.22Å; W69-L73 WeakPolarHBondContact O-CG 3.16Å; W69-L73 PolarHBondContact O-N 2.85Å
70R83Confident76.3Confident198 Ų198119.2 Ų119.275%0.74753%0.533SS*.Hα-helixtrans-57.1-45.4171.2-73-93.2-165.4141.16.1111.1N66 E67 A74N66-R70 VanDerWaalsContact O-CB 3.3Å; N66-R70 WeakPolarHBondContact O-CB 3.28Å; N66-R70 WeakPolarHBondContact O-CG 3.22Å; N66-R70 PolarHBondContact O-N 3.26Å; E67-R70 PolarHBondContact O-N 2.81Å; R70-A74 WeakPolarHBondContact O-CB 3.42Å; R70-A74 PolarHBondContact O-N 3.4Å
71K81.2Confident75.8Confident126 Ų126119 Ų11955%0.54853%0.532SS..Hα-helixtrans-67.9-40.9179.1-74.6162.7-177.8172.10112.1E67 R68 W69 K75E67-K71 VanDerWaalsContact O-CB 3.28Å; E67-K71 WeakPolarHBondContact O-CB 3.25Å; E67-K71 WeakPolarHBondContact O-CD 3.03Å; E67-K71 WeakPolarHBondContact O-CG 3.48Å; E67-K71 PolarHBondContact O-N 3.37Å; E67-K71 IonicContact OE2-NZ 3.91Å; E67-K71 PolarHBondContact OE2-NZ 3.46Å; R68-K71 PolarHBondContact O-N 2.88Å; W69-K71 VanDerWaalsContact C-N 3.33Å; W69-K71 PolarHBondContact O-N 3.23Å; K71-K75 VanDerWaalsContact O-CB 3.25Å; K71-K75 WeakPolarHBondContact O-CB 3.47Å; K71-K75 PolarHBondContact O-N 2.8Å
72E78.6Confident75.3Confident88 Ų88113.5 Ų113.541%0.41151%0.512SS..Hα-helixtrans-72.9-37176.6-167.755.2-14200112.3R68 W69 K75 N76 K79R68-E72 WeakPolarHBondContact O-CB 3.38Å; R68-E72 PolarHBondContact O-N 3.37Å; W69-E72 PolarHBondContact O-N 2.87Å; E72-K75 PolarHBondContact O-N 3.39Å; E72-N76 WeakPolarHBondContact O-CB 3.26Å; E72-N76 PolarHBondContact O-N 3.16Å; E72-N76 PolarHBondContact O-ND2 2.74Å; E72-N76 PolarHBondContact OE1-ND2 3.32Å; E72-K79 IonicContact OE1-NZ 2.68Å
73L79.6Confident74.6Confident126 Ų126112 Ų11266%0.6651%0.508SS*.Hα-helixtrans-65.4-41.7171.6-73171.8000111.6W69 N76 R77W69-L73 VanDerWaalsContact O-CB 3.25Å; W69-L73 WeakPolarHBondContact O-CB 3.33Å; W69-L73 VanDerWaalsContact O-CG 3.22Å; W69-L73 WeakPolarHBondContact O-CG 3.16Å; W69-L73 PolarHBondContact O-N 2.85Å; L73-N76 PolarHBondContact O-N 3.26Å; L73-R77 VanDerWaalsContact O-CB 3.31Å; L73-R77 WeakPolarHBondContact O-CB 3.45Å; L73-R77 PolarHBondContact O-N 3.18Å
74A80.1Confident73.9Confident57 Ų57113.9 Ų113.947%0.47151%0.512SS..Hα-helixtrans-60.1-48.7172.700000110.8R70 N76 R77 E78R70-A74 WeakPolarHBondContact O-CB 3.42Å; R70-A74 PolarHBondContact O-N 3.4Å; A74-N76 VanDerWaalsContact C-N 3.33Å; A74-N76 PolarHBondContact O-N 3.27Å; A74-R77 CarbonylContact O-C 3.52Å; A74-R77 PolarHBondContact O-N 3.41Å; A74-E78 VanDerWaalsContact O-CB 3.24Å; A74-E78 WeakPolarHBondContact O-CB 3.26Å; A74-E78 PolarHBondContact O-N 3.22Å
75K79.6Confident72.9Confident109 Ų109114.6 Ų114.647%0.47452%0.517SS..Hα-helixtrans-61.9-34.8177.8-169.8177.3-174.71790113.4K71 E72 K79K71-K75 VanDerWaalsContact O-CB 3.25Å; K71-K75 WeakPolarHBondContact O-CB 3.47Å; K71-K75 PolarHBondContact O-N 2.8Å; E72-K75 PolarHBondContact O-N 3.39Å; K75-K79 VanDerWaalsContact O-CG 3.3Å; K75-K79 WeakPolarHBondContact O-CG 3.21Å; K75-K79 PolarHBondContact O-N 3.15Å
76N80.6Confident72.3Confident60 Ų60117.9 Ų117.932%0.32153%0.525SS..Hα-helixtrans-80.7-29175.8-70.4-57.3000112.8E72 L73 A74 K79 R80E72-N76 WeakPolarHBondContact O-CB 3.26Å; E72-N76 PolarHBondContact O-N 3.16Å; E72-N76 PolarHBondContact O-ND2 2.74Å; E72-N76 PolarHBondContact OE1-ND2 3.32Å; L73-N76 PolarHBondContact O-N 3.26Å; A74-N76 VanDerWaalsContact C-N 3.33Å; A74-N76 PolarHBondContact O-N 3.27Å; N76-K79 PolarHBondContact OD1-NZ 3.28Å; N76-R80 WeakPolarHBondContact O-CG 3.31Å; N76-R80 PolarHBondContact O-N 3.24Å; N76-R80 VanDerWaalsContact O-N 3.17Å
77R84.1Confident71.4Confident177 Ų177118.8 Ų118.867%0.66853%0.53SS*.Hα-helixtrans-66.9-41.4166.9-173.8177.8180106.7-1.7111L73 A74 R80 L81L73-R77 VanDerWaalsContact O-CB 3.31Å; L73-R77 WeakPolarHBondContact O-CB 3.45Å; L73-R77 PolarHBondContact O-N 3.18Å; A74-R77 CarbonylContact O-C 3.52Å; A74-R77 PolarHBondContact O-N 3.41Å; R77-R80 PolarHBondContact O-N 2.8Å; R77-L81 HydrophobicContact CG-CD1 3.83Å; R77-L81 HydrophobicContact CG-CG 4.41Å; R77-L81 WeakPolarHBondContact O-CB 3.31Å; R77-L81 WeakPolarHBondContact O-CG 3.38Å; R77-L81 PolarHBondContact O-N 3.33Å
78E71.4Confident70.7Confident134 Ų134121.4 Ų121.463%0.62654%0.54SS*.Hα-helixtrans-61.5-44.6174.2179.5-174.1-159.100111.5A74 L81 G82A74-E78 VanDerWaalsContact O-CB 3.24Å; A74-E78 WeakPolarHBondContact O-CB 3.26Å; A74-E78 PolarHBondContact O-N 3.22Å; E78-L81 PolarHBondContact O-N 3.35Å; E78-G82 VanDerWaalsContact O-CA 3.27Å; E78-G82 WeakPolarHBondContact O-CA 3.11Å; E78-G82 PolarHBondContact O-N 3.02Å
79K73Confident69.8Low101 Ų101120.8 Ų120.844%0.43954%0.542SS..Hα-helixtrans-56.4-52.7170.7-70.3167.4-160.8164.80111.5E72 K75 N76 L81 D83E72-K79 IonicContact OE1-NZ 2.68Å; K75-K79 VanDerWaalsContact O-CG 3.3Å; K75-K79 WeakPolarHBondContact O-CG 3.21Å; K75-K79 PolarHBondContact O-N 3.15Å; N76-K79 PolarHBondContact OD1-NZ 3.28Å; K79-L81 VanDerWaalsContact C-N 3.29Å; K79-L81 PolarHBondContact O-N 2.75Å; K79-D83 PolarHBondContact O-N 2.85Å
80R63.8Low68.8Low207 Ų207116 Ų11678%0.78153%0.531SS*.Hα-helixtrans-69.8-18.6-175.7-66.1-174.485.9-165.57.6114.8N76 R77N76-R80 WeakPolarHBondContact O-CG 3.31Å; N76-R80 PolarHBondContact O-N 3.24Å; N76-R80 VanDerWaalsContact O-N 3.17Å; R77-R80 PolarHBondContact O-N 2.8Å
81L59.6Low67.7Low83 Ų83112.1 Ų112.144%0.43552%0.524SS..Hα-helixtrans-104.1-30175.8-66.8179.4000113R77 E78 K79 K84 E85R77-L81 HydrophobicContact CG-CD1 3.83Å; R77-L81 HydrophobicContact CG-CG 4.41Å; R77-L81 WeakPolarHBondContact O-CB 3.31Å; R77-L81 WeakPolarHBondContact O-CG 3.38Å; R77-L81 PolarHBondContact O-N 3.33Å; E78-L81 PolarHBondContact O-N 3.35Å; K79-L81 VanDerWaalsContact C-N 3.29Å; K79-L81 PolarHBondContact O-N 2.75Å; L81-K84 CarbonylContact O-C 3.59Å; L81-K84 WeakPolarHBondContact O-CA 3.2Å; L81-K84 WeakPolarHBondContact O-CB 3.41Å; L81-K84 PolarHBondContact O-N 2.82Å; L81-K84 VanDerWaalsContact O-N 3.12Å; L81-E85 PolarHBondContact O-N 2.63Å
82G58.6Low66.6Low17 Ų17110 Ų11018%0.17552%0.518CS..Hα-helixtrans-78.2-24.5-176.900000114.2E78 R86E78-G82 VanDerWaalsContact O-CA 3.27Å; E78-G82 WeakPolarHBondContact O-CA 3.11Å; E78-G82 PolarHBondContact O-N 3.02Å; G82-R86 WeakPolarHBondContact O-CB 3.28Å; G82-R86 WeakPolarHBondContact O-CG 3.47Å; G82-R86 PolarHBondContact O-N 3.16Å; G82-R86 PolarHBondContact O-NE 3Å; G82-R86 PolarHBondContact O-NH2 2.84Å
83D58Low65.7Low79 Ų79109.3 Ų109.342%0.42252%0.523SS..Hα-helixtrans-62.2-53.7157.9-76.8-33.5000109.1K79 E85 R86 D87K79-D83 PolarHBondContact O-N 2.85Å; D83-E85 VanDerWaalsContact C-N 3.28Å; D83-E85 PolarHBondContact O-N 3.06Å; D83-E85 VanDerWaalsContact O-N 3.16Å; D83-R86 CarbonylContact O-C 3.59Å; D83-R86 WeakPolarHBondContact O-CA 3.38Å; D83-R86 WeakPolarHBondContact O-CB 3.47Å; D83-R86 PolarHBondContact O-N 2.85Å; D83-R86 IonicContact OD1-CZ 2.7Å; D83-R86 IonicContact OD1-NH1 3.14Å; D83-R86 PolarHBondContact OD1-NH1 3.24Å; D83-R86 IonicContact OD1-NH2 2.74Å; D83-R86 PolarHBondContact OD1-NH2 2.98Å; D83-D87 PolarHBondContact O-N 2.56Å
84K60.2Low64.7Low132 Ų132108.7 Ų108.757%0.57452%0.517SS*.Hα-helixtrans-61.1-25.8-179.9-79.8-175.2171.2-176.80115.4L81 K88L81-K84 CarbonylContact O-C 3.59Å; L81-K84 WeakPolarHBondContact O-CA 3.2Å; L81-K84 WeakPolarHBondContact O-CB 3.41Å; L81-K84 PolarHBondContact O-N 2.82Å; L81-K84 VanDerWaalsContact O-N 3.12Å; K84-K88 VanDerWaalsContact O-CB 3.28Å; K84-K88 WeakPolarHBondContact O-CB 3.46Å; K84-K88 WeakPolarHBondContact O-CD 3.45Å; K84-K88 WeakPolarHBondContact O-CG 3.41Å; K84-K88 PolarHBondContact O-N 3.49Å; K84-K88 VanDerWaalsContact O-N 3.16Å
85E57.3Low63.7Low145 Ų145111 Ų11168%0.67852%0.521SS*.Hα-helixtrans-79.6-36170.7-76.2-167.2152.700112.3L81 D83 K89L81-E85 PolarHBondContact O-N 2.63Å; D83-E85 VanDerWaalsContact C-N 3.28Å; D83-E85 PolarHBondContact O-N 3.06Å; D83-E85 VanDerWaalsContact O-N 3.16Å; E85-K89 WeakPolarHBondContact O-CB 3.49Å; E85-K89 PolarHBondContact O-N 3.33Å
86R58.9Low62.9Low145 Ų145111.8 Ų111.855%0.54753%0.525SS..Hα-helixtrans-65.4-46.6171.8-80.5-177.8-82.9101.2-1.6111.3G82 D83 K88 K89 S90G82-R86 WeakPolarHBondContact O-CB 3.28Å; G82-R86 WeakPolarHBondContact O-CG 3.47Å; G82-R86 PolarHBondContact O-N 3.16Å; G82-R86 PolarHBondContact O-NE 3Å; G82-R86 PolarHBondContact O-NH2 2.84Å; D83-R86 CarbonylContact O-C 3.59Å; D83-R86 WeakPolarHBondContact O-CA 3.38Å; D83-R86 WeakPolarHBondContact O-CB 3.47Å; D83-R86 PolarHBondContact O-N 2.85Å; D83-R86 IonicContact OD1-CZ 2.7Å; D83-R86 IonicContact OD1-NH1 3.14Å; D83-R86 PolarHBondContact OD1-NH1 3.24Å; D83-R86 IonicContact OD1-NH2 2.74Å; D83-R86 PolarHBondContact OD1-NH2 2.98Å; R86-K88 PolarHBondContact O-N 3.09Å; R86-K89 CarbonylContact O-C 3.58Å; R86-K89 PolarHBondContact O-N 3.44Å; R86-K89 VanDerWaalsContact O-N 3.11Å; R86-S90 PolarHBondContact O-N 2.82Å; R86-S90 PolarHBondContact O-OG 3.36Å
87D57.6Low62.1Low86 Ų86115.3 Ų115.346%0.4654%0.537SS..Hα-helixtrans-62.7-42.4178.1-60-24.9000111.9D83 K89 S90 M91D83-D87 PolarHBondContact O-N 2.56Å; D87-K89 VanDerWaalsContact C-N 3.31Å; D87-K89 PolarHBondContact O-N 3.32Å; D87-S90 WeakPolarHBondContact CA-OG 3.47Å; D87-S90 PolarHBondContact O-N 3.42Å; D87-S90 PolarHBondContact O-OG 3.47Å; D87-M91 WeakPolarHBondContact O-CB 3.27Å; D87-M91 WeakPolarHBondContact O-CG 3.03Å; D87-M91 PolarHBondContact O-N 2.85Å
88K62.3Low60.9Low152 Ų152111.6 Ų111.666%0.66153%0.531SS*.Hα-helixtrans-65.8-33.7173.8-77.8175.1-179.7-172.50112.6K84 R86 D92K84-K88 VanDerWaalsContact O-CB 3.28Å; K84-K88 WeakPolarHBondContact O-CB 3.46Å; K84-K88 WeakPolarHBondContact O-CD 3.45Å; K84-K88 WeakPolarHBondContact O-CG 3.41Å; K84-K88 PolarHBondContact O-N 3.49Å; K84-K88 VanDerWaalsContact O-N 3.16Å; R86-K88 PolarHBondContact O-N 3.09Å; K88-D92 WeakPolarHBondContact O-CB 3.26Å; K88-D92 PolarHBondContact O-N 3.18Å
89K60.6Low60.7Low161 Ų161113.1 Ų113.170%0.754%0.535SS*.Hα-helixtrans-77.7-31.3178.6-172173.8-179.4178.80112.6E85 R86 D87 S93E85-K89 WeakPolarHBondContact O-CB 3.49Å; E85-K89 PolarHBondContact O-N 3.33Å; R86-K89 CarbonylContact O-C 3.58Å; R86-K89 PolarHBondContact O-N 3.44Å; R86-K89 VanDerWaalsContact O-N 3.11Å; D87-K89 VanDerWaalsContact C-N 3.31Å; D87-K89 PolarHBondContact O-N 3.32Å; K89-S93 WeakPolarHBondContact O-CB 3.47Å; K89-S93 PolarHBondContact O-N 3.3Å
90S57.8Low60.2Low52 Ų52116.2 Ų116.236%0.36455%0.549SS..Hα-helixtrans-69.2-49.7168.153.40000110.3R86 D87 D92 S93 E94R86-S90 PolarHBondContact O-N 2.82Å; R86-S90 PolarHBondContact O-OG 3.36Å; D87-S90 WeakPolarHBondContact CA-OG 3.47Å; D87-S90 PolarHBondContact O-N 3.42Å; D87-S90 PolarHBondContact O-OG 3.47Å; S90-D92 PolarHBondContact O-N 3.1Å; S90-S93 CarbonylContact O-C 3.4Å; S90-S93 WeakPolarHBondContact O-CA 3.42Å; S90-S93 WeakPolarHBondContact O-CB 3.5Å; S90-S93 PolarHBondContact O-N 3.24Å; S90-E94 WeakPolarHBondContact O-CB 3.4Å; S90-E94 WeakPolarHBondContact O-CG 3.3Å; S90-E94 PolarHBondContact O-N 3.1Å
91M58.2Low60Low118 Ų118111.2 Ų111.258%0.58153%0.534SS*.Hα-helixtrans-56.3-51176.4-74-168.476.200112.3D87 S93 E94 D95D87-M91 WeakPolarHBondContact O-CB 3.27Å; D87-M91 WeakPolarHBondContact O-CG 3.03Å; D87-M91 PolarHBondContact O-N 2.85Å; M91-S93 PolarHBondContact O-N 3.22Å; M91-E94 PolarHBondContact O-N 3.1Å; M91-E94 VanDerWaalsContact O-N 3.09Å; M91-D95 WeakPolarHBondContact O-CB 3.31Å; M91-D95 PolarHBondContact O-N 3.17Å
92D58.6Low60.1Low80 Ų80113.6 Ų113.643%0.42854%0.541SS..Hα-helixtrans-60-32177173.378.6000112.8K88 S90 K96K88-D92 WeakPolarHBondContact O-CB 3.26Å; K88-D92 PolarHBondContact O-N 3.18Å; S90-D92 PolarHBondContact O-N 3.1Å; D92-K96 WeakPolarHBondContact O-CB 3.28Å; D92-K96 VanDerWaalsContact O-CD 3.26Å; D92-K96 WeakPolarHBondContact O-CD 3.34Å; D92-K96 WeakPolarHBondContact O-CG 3.37Å; D92-K96 PolarHBondContact O-N 3.12Å; D92-K96 WeakPolarHBondContact OD1-CE 3.49Å; D92-K96 IonicContact OD1-NZ 2.65Å; D92-K96 PolarHBondContact OD1-NZ 3.43Å; D92-K96 IonicContact OD2-NZ 3.95Å; D92-K96 PolarHBondContact OD2-NZ 2.71Å
93S59.8Low60.2Low75 Ų75119.7 Ų119.752%0.52456%0.563SS.*Hα-helixtrans-76.3-34.4174.9-172.60000113K89 S90 M91 K97K89-S93 WeakPolarHBondContact O-CB 3.47Å; K89-S93 PolarHBondContact O-N 3.3Å; S90-S93 CarbonylContact O-C 3.4Å; S90-S93 WeakPolarHBondContact O-CA 3.42Å; S90-S93 WeakPolarHBondContact O-CB 3.5Å; S90-S93 PolarHBondContact O-N 3.24Å; M91-S93 PolarHBondContact O-N 3.22Å; S93-K97 WeakPolarHBondContact O-CB 3.42Å; S93-K97 PolarHBondContact O-N 3.36Å; S93-K97 VanDerWaalsContact O-N 3.1Å
94E59.2Low60.3Low113 Ų113123.8 Ų123.853%0.52858%0.577SS.*Hα-helixtrans-76.3-47.2177.7-72.3-178.2138.800110.6S90 M91 K96 K97 D98S90-E94 WeakPolarHBondContact O-CB 3.4Å; S90-E94 WeakPolarHBondContact O-CG 3.3Å; S90-E94 PolarHBondContact O-N 3.1Å; M91-E94 PolarHBondContact O-N 3.1Å; M91-E94 VanDerWaalsContact O-N 3.09Å; E94-K96 PolarHBondContact O-N 3.07Å; E94-K97 CarbonylContact O-C 3.56Å; E94-K97 WeakPolarHBondContact O-CA 3.25Å; E94-K97 WeakPolarHBondContact O-CB 3.38Å; E94-K97 PolarHBondContact O-N 3.46Å; E94-D98 WeakPolarHBondContact O-CB 3.45Å; E94-D98 PolarHBondContact O-N 2.85Å
95D59.4Low60.3Low105 Ų105123.2 Ų123.256%0.56157%0.574SS**Hα-helixtrans-52.3-42.6170.6-85.7-49.5000111.8M91 K99M91-D95 WeakPolarHBondContact O-CB 3.31Å; M91-D95 PolarHBondContact O-N 3.17Å; D95-K99 WeakPolarHBondContact O-CB 3.32Å; D95-K99 PolarHBondContact O-N 3.21Å
96K62.6Low60.2Low125 Ų125121.4 Ų121.454%0.54357%0.566SS.*Hα-helixtrans-69.6-33.9176.2-76.4169.8-170.91620113.1D92 E94 K100D92-K96 WeakPolarHBondContact O-CB 3.28Å; D92-K96 VanDerWaalsContact O-CD 3.26Å; D92-K96 WeakPolarHBondContact O-CD 3.34Å; D92-K96 WeakPolarHBondContact O-CG 3.37Å; D92-K96 PolarHBondContact O-N 3.12Å; D92-K96 WeakPolarHBondContact OD1-CE 3.49Å; D92-K96 IonicContact OD1-NZ 2.65Å; D92-K96 PolarHBondContact OD1-NZ 3.43Å; D92-K96 IonicContact OD2-NZ 3.95Å; D92-K96 PolarHBondContact OD2-NZ 2.71Å; E94-K96 PolarHBondContact O-N 3.07Å; K96-K100 VanDerWaalsContact O-CB 3.3Å; K96-K100 WeakPolarHBondContact O-CB 3.42Å; K96-K100 PolarHBondContact O-N 3.38Å
97K62.4Low60.2Low135 Ų135122.9 Ų122.959%0.58758%0.576SS**Hα-helixtrans-71.5-48176.5-175.4-173.7173.1-162.20110.8S93 E94 K100 E101S93-K97 WeakPolarHBondContact O-CB 3.42Å; S93-K97 PolarHBondContact O-N 3.36Å; S93-K97 VanDerWaalsContact O-N 3.1Å; E94-K97 CarbonylContact O-C 3.56Å; E94-K97 WeakPolarHBondContact O-CA 3.25Å; E94-K97 WeakPolarHBondContact O-CB 3.38Å; E94-K97 PolarHBondContact O-N 3.46Å; K97-K100 CarbonylContact O-C 3.56Å; K97-K100 WeakPolarHBondContact O-CA 3.46Å; K97-K100 WeakPolarHBondContact O-CB 3.46Å; K97-K100 PolarHBondContact O-N 3.4Å; K97-K100 VanDerWaalsContact O-N 3.14Å; K97-E101 PolarHBondContact O-N 3.43Å
98D59.4Low60.2Low99 Ų99127.7 Ų127.753%0.52959%0.593SS.*Hα-helixtrans-70.4-37.7-178.6-76.913.3000111.7E94 K100 E101 K102E94-D98 WeakPolarHBondContact O-CB 3.45Å; E94-D98 PolarHBondContact O-N 2.85Å; D98-K100 VanDerWaalsContact C-N 3.27Å; D98-K100 PolarHBondContact O-N 3.15Å; D98-E101 PolarHBondContact O-N 3.38Å; D98-K102 WeakPolarHBondContact O-CB 3.43Å; D98-K102 PolarHBondContact O-N 3.4Å
99K66.4Low59.9Low165 Ų165128.3 Ų128.372%0.71760%0.596SS**Hα-helixtrans-63.7-32.7170.8-168.6168-172.1168.50112.1D95 K103D95-K99 WeakPolarHBondContact O-CB 3.32Å; D95-K99 PolarHBondContact O-N 3.21Å; K99-K103 VanDerWaalsContact O-CB 3.32Å; K99-K103 WeakPolarHBondContact O-CB 3.36Å; K99-K103 PolarHBondContact O-N 3.33Å
100K63.8Low59.3Low166 Ų166126 Ų12672%0.72260%0.6SS**Hα-helixtrans-74.4-38173.8-172.3177.3-177.9178.80112K96 K97 D98 K104K96-K100 VanDerWaalsContact O-CB 3.3Å; K96-K100 WeakPolarHBondContact O-CB 3.42Å; K96-K100 PolarHBondContact O-N 3.38Å; K97-K100 CarbonylContact O-C 3.56Å; K97-K100 WeakPolarHBondContact O-CA 3.46Å; K97-K100 WeakPolarHBondContact O-CB 3.46Å; K97-K100 PolarHBondContact O-N 3.4Å; K97-K100 VanDerWaalsContact O-N 3.14Å; D98-K100 VanDerWaalsContact C-N 3.27Å; D98-K100 PolarHBondContact O-N 3.15Å; K100-K104 PolarHBondContact O-N 2.82Å
101E59.6Low58.6Low103 Ų103127.9 Ų127.948%0.48161%0.613SS.*Hα-helixtrans-71.5-46.6175.7-172.4172.8138.600112K97 D98 K103 K104 K105K97-E101 PolarHBondContact O-N 3.43Å; D98-E101 PolarHBondContact O-N 3.38Å; E101-K103 VanDerWaalsContact C-N 3.32Å; E101-K103 PolarHBondContact O-N 3.38Å; E101-K104 CarbonylContact O-C 3.56Å; E101-K104 WeakPolarHBondContact O-CA 3.41Å; E101-K104 VanDerWaalsContact O-CB 3.31Å; E101-K104 WeakPolarHBondContact O-CB 3.48Å; E101-K104 PolarHBondContact O-N 3.26Å; E101-K105 WeakPolarHBondContact O-CB 3.16Å; E101-K105 PolarHBondContact O-N 3.49Å; E101-K105 IonicContact OE1-NZ 2.56Å
102K60.4Low57.8Low132 Ų132132.4 Ų132.457%0.57462%0.624SS**Hα-helixtrans-57.3-44.1177.4-168.4171.6-179.7177.90111.2D98 K104 K105 E106D98-K102 WeakPolarHBondContact O-CB 3.43Å; D98-K102 PolarHBondContact O-N 3.4Å; K102-K104 VanDerWaalsContact C-N 3.25Å; K102-K104 PolarHBondContact O-N 2.73Å; K102-K105 CarbonylContact O-C 3.54Å; K102-K105 WeakPolarHBondContact O-CB 3.22Å; K102-K105 PolarHBondContact O-N 2.7Å; K102-E106 WeakPolarHBondContact CE-OE1 3.24Å; K102-E106 HydrophobicContact CG-CG 4.44Å; K102-E106 WeakPolarHBondContact O-CB 3.43Å; K102-E106 WeakPolarHBondContact O-CG 3.25Å; K102-E106 PolarHBondContact O-N 2.82Å
103K61.2Low56.7Low146 Ų146136.4 Ų136.464%0.63564%0.64SS**Hα-helixtrans-63-25.3172.6-170.3168.7-176.2172.80113.9K99 E101K99-K103 VanDerWaalsContact O-CB 3.32Å; K99-K103 WeakPolarHBondContact O-CB 3.36Å; K99-K103 PolarHBondContact O-N 3.33Å; E101-K103 VanDerWaalsContact C-N 3.32Å; E101-K103 PolarHBondContact O-N 3.38Å
104K60.3Low55.5Low165 Ų165137.5 Ų137.572%0.71765%0.647SS**Hα-helixtrans-82.6-27.8172.3-164.5179.8-178.5-175.40112.3K100 E101 K102K100-K104 PolarHBondContact O-N 2.82Å; E101-K104 CarbonylContact O-C 3.56Å; E101-K104 WeakPolarHBondContact O-CA 3.41Å; E101-K104 VanDerWaalsContact O-CB 3.31Å; E101-K104 WeakPolarHBondContact O-CB 3.48Å; E101-K104 PolarHBondContact O-N 3.26Å; K102-K104 VanDerWaalsContact C-N 3.25Å; K102-K104 PolarHBondContact O-N 2.73Å
105K60Low54.4Low119 Ų119137 Ų13752%0.51766%0.656SS.*Hα-helixtrans-82.1-39.2179.7-152.2166.5-167.91620112E101 K102 K108 K109E101-K105 WeakPolarHBondContact O-CB 3.16Å; E101-K105 PolarHBondContact O-N 3.49Å; E101-K105 IonicContact OE1-NZ 2.56Å; K102-K105 CarbonylContact O-C 3.54Å; K102-K105 WeakPolarHBondContact O-CB 3.22Å; K102-K105 PolarHBondContact O-N 2.7Å; K105-K108 CarbonylContact O-C 3.56Å; K105-K108 WeakPolarHBondContact O-CA 3.24Å; K105-K108 PolarHBondContact O-N 3.47Å; K105-K109 PolarHBondContact O-N 3.33Å
106E56.6Low53.2Low108 Ų108137.2 Ų137.251%0.50567%0.666SS.*Hα-helixtrans-63.9-40.8174.4-74.8166.2169.700111.8K102 K108 K109 S110K102-E106 WeakPolarHBondContact CE-OE1 3.24Å; K102-E106 HydrophobicContact CG-CG 4.44Å; K102-E106 WeakPolarHBondContact O-CB 3.43Å; K102-E106 WeakPolarHBondContact O-CG 3.25Å; K102-E106 PolarHBondContact O-N 2.82Å; E106-K108 PolarHBondContact O-N 3.4Å; E106-K109 PolarHBondContact O-N 3.14Å; E106-S110 PolarHBondContact O-N 3.39Å; E106-S110 VanDerWaalsContact O-N 3.09Å
107K58.6Low51.8Low175 Ų175135.9 Ų135.976%0.76167%0.672SS**THydrogen-bonded Turntrans-61.8-7.5169.6-78.6-162.9171.1-159.70114.9
108K56.8Low50.5Low187 Ų187134.7 Ų134.781%0.81368%0.681SS**THydrogen-bonded Turntrans-110.91.4169.7-73.3-162.3169.8-161.50113.6K105 E106K105-K108 CarbonylContact O-C 3.56Å; K105-K108 WeakPolarHBondContact O-CA 3.24Å; K105-K108 PolarHBondContact O-N 3.47Å; E106-K108 PolarHBondContact O-N 3.4Å
109K56.6Low49.4Very low165 Ų165134.9 Ų134.972%0.71769%0.69SS**THydrogen-bonded Turntrans-125.6-7.4-174.5-76.9-161168-153.40115.3K105 E106 S111K105-K109 PolarHBondContact O-N 3.33Å; E106-K109 PolarHBondContact O-N 3.14Å; K109-S111 PolarHBondContact O-N 3.09Å
110S46.6Very low48.1Very low114 Ų114131.6 Ų131.680%0.79769%0.688SS**  trans-7227.4170.765.40000113.9E106E106-S110 PolarHBondContact O-N 3.39Å; E106-S110 VanDerWaalsContact O-N 3.09Å
111S44.1Very low47.1Very low91 Ų91129.4 Ų129.464%0.63669%0.693SS**SBendtrans-126.891.8178171.90000109.6K109K109-S111 PolarHBondContact O-N 3.09Å
112R40.8Very low46.3Very low213 Ų213129.2 Ų129.280%0.80470%0.704SS**  trans72.4122.2154.4-72.5-178.8174.2167.6-2.8119.5
113H35.8Very low45.5Very low164 Ų164129.6 Ų129.676%0.75971%0.712SS**  trans71.6146.6153.6-46.9-44.2000118.6
114S35.7Very low44.4Very low97 Ų97127.2 Ų127.268%0.67871%0.714SS**  cis-164.2152.4-20.7-90.60000111.5
115S34.8Very low43.5Very low102 Ų102124.3 Ų124.371%0.71371%0.714SS**  trans43.5139145.562.30000125.8
116S34.3Very low42.6Very low110 Ų110123.8 Ų123.877%0.76973%0.725SS**  trans65.4151.5139.153.10000121.8
117S33.1Very low41.6Very low97 Ų97124.2 Ų124.268%0.67874%0.74SS**  cis-173.6168.5-16.9530000111.8
118S35.2Very low40.4Very low111 Ų111121.4 Ų121.478%0.77674%0.743SS**  trans65.7153.715829.90000119.4
119S37Very low39.7Very low103 Ų103117.7 Ų117.772%0.7274%0.74SS**  cis-166.1167.8-9.250.60000114.3
120S39.5Very low38.8Very low96 Ų96114.3 Ų114.367%0.67174%0.737SS**  trans73120.2140.456.40000125.5
121S42.9Very low38.3Very low119 Ų119117 Ų11783%0.83274%0.737SS**  trans64.9153.2139.155.40000121.4
122S41.8Very low38.1Very low100 Ų100118.2 Ų118.270%0.69975%0.746SS**  cis-153.9164.38.850.60000113.6
123D44.9Very low38Very low140 Ų140117.1 Ų117.175%0.74975%0.75SS**  trans23.4129145.4-73.7-85.2000122.1
124S37.1Very low38.4Very low96 Ų96117.2 Ų117.267%0.67176%0.756SS**  113.3154.954.6-80.30000110.3
125S42.4Very low38.8Very low103 Ų103120.6 Ų120.672%0.7276%0.761SS**  cis-171.2169.9-19.3-92.10000111.3
126S39.4Very low39.1Very low108 Ų108121.1 Ų121.176%0.75576%0.756SS**  trans81.6133.6158.977.10000123.7
127S35.5Very low39.6Very low117 Ų117122.1 Ų122.182%0.81875%0.748SS**  trans39.5161.7141.5510000123.1
128S34.7Very low40.4Very low117 Ų117124.9 Ų124.982%0.81875%0.748SS**  cis-172.8170.5-17.9177.10000107.2
129S41Very low41.2Very low108 Ų108127.6 Ų127.676%0.75575%0.746SS**  trans-70.8156.3167.7-54.70000112.9
130S37.4Very low41.7Very low95 Ų95127.4 Ų127.466%0.66474%0.744SS**  171.7154.2124-107.90000116.6
131E37.7Very low42.5Very low170 Ų170130.6 Ų130.679%0.79475%0.752SS**  trans51.4171.4162.4-16.4-53.849.800120.3
132S38.3Very low43.2Very low116 Ų116133.8 Ų133.881%0.81175%0.751SS**  cis-147.8-178.3-0.469.10000113
133E40.2Very low44.2Very low191 Ų191139 Ų13989%0.89376%0.761SS**  trans-85.2166.2175.4-56.3167.7116.900113.5
134D44.3Very low45.1Very low166 Ų166142.2 Ų142.289%0.88877%0.769SS**  trans-159.6159153.4-162.1-159000111.8
135E43.8Very low45.9Very low167 Ų167147.6 Ų147.678%0.7877%0.774SS**  trans-133.6162.6-167.7-105.1-79.2-152.500116
136D40.3Very low46.3Very low114 Ų114150.5 Ų150.561%0.6177%0.774SS**  trans59.4-162.2160-142.7-31.7000120.2K138D136-K138 IonicContact OD1-NZ 2.99Å; D136-K138 PolarHBondContact OD1-NZ 3.32Å; D136-K138 IonicContact OD2-NZ 2.97Å
137E45.3Very low46.9Very low130 Ų130156.7 Ų156.761%0.60778%0.781SS**  trans74.477.1171.2-77.4-73.8112.700119.5K139E137-K139 IonicContact OE2-NZ 2.65Å; E137-K139 PolarHBondContact OE2-NZ 3.5Å
138K50.9Low47.8Very low156 Ų156161.3 Ų161.368%0.67879%0.786SS**  trans-51.4137.2163-29.994.1177.9124.50113.3D136D136-K138 IonicContact OD1-NZ 2.99Å; D136-K138 PolarHBondContact OD1-NZ 3.32Å; D136-K138 IonicContact OD2-NZ 2.97Å
139K50.4Low48.2Very low167 Ų167167 Ų16773%0.72679%0.79SS**  trans-152.2120.1146.3-96.5117.3-159.3175.50117E137E137-K139 IonicContact OE2-NZ 2.65Å; E137-K139 PolarHBondContact OE2-NZ 3.5Å
140S47.7Very low48.3Very low99 Ų99166.5 Ų166.569%0.69279%0.786SS**  trans-3.3128.3157.160.20000121.9
141I57.5Low48.5Very low163 Ų163167.4 Ų167.484%0.83679%0.792SS**  trans-124.3122.8146.8-62.6-177.3000110.6
142K56.5Low48.3Very low186 Ų186163.8 Ų163.881%0.80979%0.791SS**  trans-77.7125.6-173.1-60.9157.2-176.7166.20111.1
143K62.7Low48.3Very low209 Ų209167.4 Ų167.491%0.90979%0.792SS**  trans-105.1127.4165.1-72.7-174.6177.4177.30110.8
144K63.6Low48.4Very low208 Ų208169 Ų16990%0.90479%0.79SS**  trans-83.7163.8-165-71.3-180178.7174.90113.4
145R55.3Low48.6Very low209 Ų209165.4 Ų165.479%0.78978%0.776SS**  trans-93.3164.8-169.1-170.5173.967.2159.1-2.6112.6
146K49.3Very low48.3Very low164 Ų164162.2 Ų162.271%0.71377%0.772SS**  trans79.2152.9176-48.9-73.9-174.1169.70112.6
147R51.6Low48.1Very low238 Ų238163.9 Ų163.990%0.89878%0.781SS**  cis-144.8143.512.6-132155.6-174.2170.3-0.9109
148K56.3Low47.8Very low214 Ų214164.9 Ų164.993%0.9380%0.796SS**  trans-120111.4165.9-86.5-91.9-171.1178.60107.8
149R42.3Very low47.1Very low238 Ų238163.3 Ų163.390%0.89880%0.804SS**  trans-158.1145.1162-154.5159.8-176.5166.6-1.1110.3
150S43.7Very low46.3Very low97 Ų97158.9 Ų158.968%0.67881%0.806SS**  trans-52.1164.5169.656.50000112.8
151S39.8Very low45.6Very low114 Ų114161.9 Ų161.980%0.79782%0.815SS**  cis-143.5-152.428.3-38.90000111.1
152A35.4Very low44.5Very low93 Ų93160.7 Ų160.777%0.76981%0.81SS**  cis-147.3-127.617.700000115.1
153K36.4Very low43.8Very low192 Ų192156.7 Ų156.784%0.83581%0.805SS**  trans-150.5174.7-176.1-50.6173.1179.4173.80105.4
154R43.4Very low42.5Very low224 Ų224153.1 Ų153.185%0.84580%0.796SS**  cis-153.4-145.714.2-150.9-177.2-178.3-174.7-3.3111.4
155P49.5Very low41.5Very low91 Ų91148.6 Ų148.659%0.59179%0.786SS**  trans-99.4-157.4-143.947.2-30000111.6
156S37.3Very low40.7Very low101 Ų101144.8 Ų144.871%0.70678%0.777SS**  cis-167.917115.635.10000110.4
157D34.2Very low40.9Very low149 Ų149145 Ų14580%0.79778%0.784SS**  cis-176.3162.6-33.1-82.1-35.5000106.2
158V39.5Very low40.8Very low150 Ų150140.2 Ų140.291%0.90977%0.77SS**  trans-145.6143.6167.7650000110.8
159S36.9Very low40.6Very low123 Ų123138.9 Ų138.986%0.8676%0.764SS**  trans-98.5160.3-161.447.40000115.4
160G33.4Very low40.8Very low74 Ų74139.8 Ų139.876%0.76377%0.767SS**  trans179.257.4-177.700000116.2
161D32.7Very low41.2Very low163 Ų163144.8 Ų144.887%0.87278%0.777SS**  trans61.4144.6158-141.733.3000122.8
162D33.7Very low41.3Very low138 Ų138150.8 Ų150.874%0.73878%0.782SS**  trans-55.8162.8177.6-109.2-82.5000115.1
163S42.7Very low42Very low102 Ų102155 Ų15571%0.71379%0.79SS**  cis-159.9160.924.733.80000115
164D35Very low42.3Very low133 Ų133155.7 Ų155.771%0.71179%0.787SS**  trans7.5144.3143.9-140.732000118.9
165V42.4Very low41.9Very low113 Ų113152.7 Ų152.769%0.68578%0.783SS**  cis-152.6145.444.4-158.30000115.9
166E40.2Very low41.7Very low130 Ų130156.4 Ų156.461%0.60780%0.798SS**  trans59.588155.1-85-164.4149.500122.4K168E166-K168 HydrophobicContact CG-CD 3.85Å; E166-K168 WeakPolarHBondContact OE1-CD 3.39Å; E166-K168 WeakPolarHBondContact OE1-CE 3.37Å; E166-K168 IonicContact OE1-NZ 2.59Å; E166-K168 PolarHBondContact OE1-NZ 3.18Å
167I51.9Low42.1Very low167 Ų167155 Ų15586%0.85680%0.799SS**  trans-67.3122.2139.8-60.4167.8000109.5
168K50.9Low42.7Very low138 Ų138156.3 Ų156.360%0.680%0.8SS**  trans-153118.3158.1-96.8125.2-160.7-176.60115.1E166E166-K168 HydrophobicContact CG-CD 3.85Å; E166-K168 WeakPolarHBondContact OE1-CD 3.39Å; E166-K168 WeakPolarHBondContact OE1-CE 3.37Å; E166-K168 IonicContact OE1-NZ 2.59Å; E166-K168 PolarHBondContact OE1-NZ 3.18Å
169K51.4Low43.1Very low186 Ų186158.4 Ų158.481%0.80980%0.797SS**  trans68.698.9148.7-54.4162.2-176.1167.40118.9
170R45.3Very low43.7Very low257 Ų257160.5 Ų160.597%0.9780%0.799SS**  trans-153.186.6137.4-110.7165-159.9-95.81.1112.2
171K52.8Low44.6Very low202 Ų202165.2 Ų165.288%0.87880%0.798SS**  trans-99.6156.4165.3-171.1173.3-176.7175.80108
172R43.1Very low45.3Very low241 Ų241163 Ų16391%0.90979%0.786SS**  trans87.695-174.1-52.7175.4-173.5-162.30.4114.1
173I50Low46Very low181 Ų181163.7 Ų163.793%0.92879%0.785SS**  trans-95.2120.9143.2-59.4167.4000104.8
174R41.8Very low46.5Very low207 Ų207167.9 Ų167.978%0.78179%0.79SS**  trans-163.8151.4168.6-173.9168.6177.1136.34.7109.4
175E34.3Very low47.2Very low161 Ų161169.4 Ų169.475%0.75279%0.793SS**  trans72.4126.9172.9-93.8125-141.300117.8
176D46.7Very low47.7Very low169 Ų169173.7 Ų173.790%0.90480%0.797SS**  trans-90.2171.2172.7-1692.4000109.2
177G44.9Very low48.3Very low71 Ų71176.3 Ų176.373%0.73281%0.807SS**  trans116.89.2161.900000119.7
178E46.2Very low48.4Very low176 Ų176178.8 Ų178.882%0.82281%0.805SS**  trans-131.378.2178.4-165.8170.9-133.900114.1
179K49.6Very low48.6Very low194 Ų194182 Ų18284%0.84382%0.819SS**  trans-138.4-22.2167.5-77.4-171177173.30116.3K181K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 2.67Å
180D47.8Very low48.3Very low168 Ų168185 Ų18590%0.89883%0.826SS**THydrogen-bonded Turntrans-76.60.1-168.9-105.120.2000116.7
181K53.3Low48.5Very low172 Ų172182.3 Ų182.375%0.74882%0.821SS**THydrogen-bonded Turntrans-97.3-24.9-172.1-69176.6-178.41680114.7K179K179-K181 VanDerWaalsContact C-N 3.29Å; K179-K181 PolarHBondContact O-N 2.67Å
182D46.4Very low48.2Very low117 Ų117179.4 Ų179.463%0.62682%0.82SS**SBendtrans-80.2-21.9-169.1-87.10.2000115.4K184D182-K184 VanDerWaalsContact C-N 3.35Å; D182-K184 PolarHBondContact O-N 3.31Å
183E50.2Low47.9Very low152 Ų152176.5 Ų176.571%0.7182%0.817SS**THydrogen-bonded Turntrans-73.5-29-175.9-172.1164.5-149.200112.5E185E183-E185 VanDerWaalsContact C-N 3.31Å; E183-E185 PolarHBondContact O-N 2.98Å
184K52.4Low47.6Very low190 Ų190180 Ų18083%0.82682%0.818SS**THydrogen-bonded Turntrans-68.5-26-174.2-161.6167-174.1171.30113.6D182D182-K184 VanDerWaalsContact C-N 3.35Å; D182-K184 PolarHBondContact O-N 3.31Å
185E50Low47.6Very low166 Ų166174.8 Ų174.878%0.77681%0.813SS**THydrogen-bonded Turntrans-83.6-27.3-176.3-159173.6-125.900113.2E183 K187 R188E183-E185 VanDerWaalsContact C-N 3.31Å; E183-E185 PolarHBondContact O-N 2.98Å; E185-K187 PolarHBondContact O-N 3.14Å; E185-K187 VanDerWaalsContact O-N 3.09Å; E185-R188 PolarHBondContact O-N 2.95Å
186R53.2Low47.6Very low203 Ų203175.9 Ų175.977%0.76682%0.818SS**THydrogen-bonded Turntrans-68.8-11.7-170.9-63.6-176.3-175.8-176.42.3115.3
187K51.1Low47.6Very low185 Ų185176.7 Ų176.780%0.80481%0.814SS**THydrogen-bonded Turntrans-87.5-2.8-178.7-70.7-178.7178.7172.60114.7E185E185-K187 PolarHBondContact O-N 3.14Å; E185-K187 VanDerWaalsContact O-N 3.09Å
188R54.4Low47.1Very low219 Ų219179.9 Ų179.983%0.82681%0.814SS**SBendtrans-112.178.9-178.7-71.5-178.5170.6-177.5-3.9113.3E185E185-R188 PolarHBondContact O-N 2.95Å
189K56.3Low46.6Very low206 Ų206177.5 Ų177.590%0.89682%0.817SS**  trans172.873.4156-95149-171.3171.20113.1
190R45.1Very low45.8Very low249 Ų249173.6 Ų173.694%0.9481%0.814SS**  trans-157.884157.4-78.6-152.4175.9107.91.8111.6
191K48.1Very low45.1Very low200 Ų200171.6 Ų171.687%0.8781%0.813SS**  trans-147151.7156.2-83.1-161.9175.5-172.10106.5
192T48.2Very low44Very low140 Ų140172.3 Ų172.386%0.85982%0.819SS**  trans59.3133.3-143.9780000111.5
193E36.9Very low43.2Very low180 Ų180172.6 Ų172.684%0.84183%0.83SS**  cis-116.9142.74.8-62.9149.4150.800110.8
194R42Very low42.5Very low255 Ų255171.2 Ų171.296%0.96283%0.832SS**  trans-154.757.8158.9-161.2170.6-176.9148.52.9111.4
195S41.8Very low41.5Very low97 Ų97168 Ų16868%0.67883%0.829SS**  trans-111.997.5166.2490000108
196H35.4Very low40.7Very low185 Ų185166.6 Ų166.686%0.85683%0.831SS**  -164.2121.8127.1-99.8-69.5000107.7
197K47Very low39.8Very low186 Ų186162.6 Ų162.681%0.80983%0.834SS**  trans-82.9170.9163.8-166.2177.5176.2-175.20107.2
198D33.8Very low39Very low137 Ų137160.4 Ų160.473%0.73383%0.831SS**  trans109.396.8163.6-51.1-22.3000115.6
199S36Very low37.7Very low126 Ų126159.8 Ų159.888%0.88183%0.829SS**  trans178121.7133.1-76.70000108.8
200S32.7Very low36.5Very low113 Ų113156.8 Ų156.879%0.7982%0.823SS**  trans-81156.6174-56.10000111.5
201S33.3Very low36.2Very low125 Ų125153.6 Ų153.687%0.87482%0.818SS**  trans-157.1137.6141.9-76.90000108.2
202E29.5Very low35.5Very low188 Ų188148.7 Ų148.788%0.87982%0.815SS**  trans-94.2148.6-172.8-65.9157.6113.700110.6
203S30Very low34.7Very low123 Ų123150.6 Ų150.686%0.8682%0.815SS**  trans-119.6112.2176.961.30000110.7
204T34.5Very low35.6Very low123 Ų123146.6 Ų146.676%0.75580%0.804SS**  trans-128.7156.3175.451.90000110
205V33.2Very low35.5Very low123 Ų123144.6 Ų144.675%0.74580%0.802SS**  trans69100.4-175.9-170.80000111.2
206V31.8Very low35.8Very low136 Ų136149.8 Ų149.882%0.82481%0.813SS**  63.993.151.2-1690000112.3
207S35.3Very low36.2Very low119 Ų119151.3 Ų151.383%0.83282%0.817SS**  trans-145.9134.2154.8-74.80000109.5
208D34.6Very low36.4Very low139 Ų139152.1 Ų152.174%0.74382%0.82SS**  trans-87.1-169.5174.3-176.620.6000109.6
209W26.7Very low36.9Very low206 Ų206157.7 Ų157.778%0.7883%0.831SS**  trans89.295.8168.9-63.480.4000119.3
210D30.7Very low37Very low143 Ų143155.9 Ų155.977%0.76582%0.818SS**  81.9168.9111.9-123.8-89.3000123.3
211E38.5Very low38Very low181 Ų181154.6 Ų154.685%0.84681%0.809SS**  trans-100.2125-154.8179.9179.5131.700113.3
212A32.7Very low38.7Very low98 Ų98155.5 Ų155.581%0.8180%0.8SS**  trans-172134.2154.100000114.9
213E32.5Very low39.8Very low180 Ų180153.5 Ų153.584%0.84179%0.791SS**  trans-88.8-178.4155.3-77.8-152.6161.700111.3
214P55.2Low41Very low95 Ų95157.2 Ų157.262%0.61779%0.786SS**  -130159.9-56.836.3-22.7000111.8
215K39.8Very low41.9Very low214 Ų214158 Ų15893%0.9378%0.781SS**  trans-153.5153.7162-101.6119.7-165.51710115.6
216K48.3Very low43.1Very low206 Ų206158.9 Ų158.990%0.89677%0.774SS**  trans-85.5139.7-170.1-53164.1-175.3169.80112.4
217K43.5Very low44Very low216 Ų216159.8 Ų159.894%0.93977%0.768SS**  trans-138.7144.4157-72-172.7179173.40111.4
218K51.5Low45Very low204 Ų204158.1 Ų158.189%0.88775%0.753SS**  trans-107.1138174.5-61176.4179.7177.70109.6
219R43.7Very low45.9Very low254 Ų254157.1 Ų157.196%0.95875%0.747SS**  trans171.9133.2141.6-102.3165.7172141.6-2.6112.4
220S38.5Very low47.2Very low87 Ų87155.1 Ų155.161%0.60874%0.743SS**  trans159.1122.2144.9-177.80000108.7
221S53.2Low48.1Very low87 Ų87156 Ų15661%0.60874%0.741SS**  trans-139.8-28.4178.346.40000113.9E223 R224S221-E223 VanDerWaalsContact C-N 3.32Å; S221-E223 PolarHBondContact O-N 2.89Å; S221-R224 PolarHBondContact O-N 3.25Å
222E50Low48.9Very low143 Ų143151.5 Ų151.567%0.66873%0.726SS**THydrogen-bonded Turntrans-71-18.8-172-65.8166.783.700115R224E222-R224 VanDerWaalsContact C-N 3.29Å; E222-R224 PolarHBondContact O-N 3.38Å
223E51.5Low49.8Very low147 Ų147152.4 Ų152.469%0.68772%0.721SS**Hα-helixtrans-70.2-27.2176.4-65.1-169105.500112.8S221 E225 F227S221-E223 VanDerWaalsContact C-N 3.32Å; S221-E223 PolarHBondContact O-N 2.89Å; E223-E225 PolarHBondContact O-N 3.48Å; E223-F227 PolarHBondContact O-N 3.04Å
224R55.5Low50.9Low200 Ų200153.1 Ų153.176%0.75572%0.721SS**Hα-helixtrans-66.4-41-174.1-69.9-175.7169.1-165.9-4.1112.5S221 E222 F227 T228S221-R224 PolarHBondContact O-N 3.25Å; E222-R224 VanDerWaalsContact C-N 3.29Å; E222-R224 PolarHBondContact O-N 3.38Å; R224-F227 PolarHBondContact O-N 3.11Å; R224-T228 PolarHBondContact O-N 3.07Å
225E53.9Low50.8Low141 Ų141152.8 Ų152.866%0.65972%0.721SS**Hα-helixtrans-73.5-36.5-176.7-60.1-171.6147.400112.4E223 F227 T228 L229E223-E225 PolarHBondContact O-N 3.48Å; E225-F227 PolarHBondContact O-N 3.31Å; E225-T228 PolarHBondContact O-N 2.85Å; E225-T228 PolarHBondContact O-OG1 2.92Å; E225-T228 VanDerWaalsContact O-OG1 3.1Å; E225-L229 PolarHBondContact O-N 3.14Å; E225-L229 VanDerWaalsContact O-N 3.1Å
226K57.2Low51.6Low140 Ų140152.1 Ų152.161%0.60972%0.718SS**Hα-helixtrans-64-23.1175.4-68.1172.3-176.8167.20112.4K230K226-K230 WeakPolarHBondContact O-CD 3.07Å; K226-K230 WeakPolarHBondContact O-CG 3.38Å
227F51.1Low52.1Low156 Ų156151.9 Ų151.968%0.68472%0.717SS**Hα-helixtrans-82.4-46.8173.5-168.8-93.8000112.4E223 R224 E225 K230 F231E223-F227 PolarHBondContact O-N 3.04Å; R224-F227 PolarHBondContact O-N 3.11Å; E225-F227 PolarHBondContact O-N 3.31Å; F227-K230 PolarHBondContact O-N 2.97Å; F227-F231 PolarHBondContact O-N 2.98Å
228T56.7Low52.9Low84 Ų84151.8 Ų151.852%0.51572%0.717SS.*Hα-helixtrans-65.3-42.9-177.354.20000112.5R224 E225 K230 F231 T232R224-T228 PolarHBondContact O-N 3.07Å; E225-T228 PolarHBondContact O-N 2.85Å; E225-T228 PolarHBondContact O-OG1 2.92Å; E225-T228 VanDerWaalsContact O-OG1 3.1Å; T228-K230 VanDerWaalsContact C-N 3.33Å; T228-K230 PolarHBondContact O-N 2.99Å; T228-F231 PolarHBondContact O-N 2.86Å; T228-F231 VanDerWaalsContact O-N 3.15Å; T228-T232 PolarHBondContact O-N 3.17Å
229L52.8Low53.2Low118 Ų118154 Ų15462%0.61872%0.719SS**Hα-helixtrans-61.6-36.9178.1-104166000113.2E225 F231 T232E225-L229 PolarHBondContact O-N 3.14Å; E225-L229 VanDerWaalsContact O-N 3.1Å; L229-F231 VanDerWaalsContact C-N 3.27Å; L229-F231 PolarHBondContact O-N 3.3Å; L229-T232 PolarHBondContact O-OG1 3.07Å
230K54.6Low53.9Low163 Ų163152.2 Ų152.271%0.70972%0.719SS**Hα-helixtrans-69.8-23.8178-72.4179.2-177.4177.40113K226 F227 T228K226-K230 WeakPolarHBondContact O-CD 3.07Å; K226-K230 WeakPolarHBondContact O-CG 3.38Å; F227-K230 PolarHBondContact O-N 2.97Å; T228-K230 VanDerWaalsContact C-N 3.33Å; T228-K230 PolarHBondContact O-N 2.99Å
231F50.3Low55.1Low163 Ų163157.4 Ų157.472%0.71573%0.73SS**Hα-helixtrans-82.5-40.9-177.5-162.8-98.4000112.7F227 T228 L229F227-F231 PolarHBondContact O-N 2.98Å; T228-F231 PolarHBondContact O-N 2.86Å; T228-F231 VanDerWaalsContact O-N 3.15Å; L229-F231 VanDerWaalsContact C-N 3.27Å; L229-F231 PolarHBondContact O-N 3.3Å
232T54Low55.5Low86 Ų86163.1 Ų163.153%0.52874%0.744SS.*Hα-helixtrans-69.7-45.8-17455.10000113.1T228 L229 K234 S235T228-T232 PolarHBondContact O-N 3.17Å; L229-T232 PolarHBondContact O-OG1 3.07Å; T232-K234 VanDerWaalsContact C-N 3.28Å; T232-K234 PolarHBondContact O-N 2.82Å; T232-S235 PolarHBondContact O-N 2.96Å; T232-S235 PolarHBondContact O-OG 3.47Å
233V51.2Low55.5Low117 Ų117165 Ų16571%0.70975%0.752SS**G310 helixtrans-61.3-33.1-174.3177.80000112.7S235V233-S235 PolarHBondContact O-N 3.34Å; V233-S235 VanDerWaalsContact O-N 3.14Å
234K57.2Low56Low195 Ų195166.8 Ų166.885%0.84876%0.758SS**G310 helixtrans-77.51.8-170.5-140.2165.9-172.9171.60114.7T232T232-K234 VanDerWaalsContact C-N 3.28Å; T232-K234 PolarHBondContact O-N 2.82Å
235S51.6Low56.6Low87 Ų87166.4 Ų166.461%0.60876%0.762SS**G310 helixtrans-92.3-26.6-166.461.50000116.3T232 V233 K237T232-S235 PolarHBondContact O-N 2.96Å; T232-S235 PolarHBondContact O-OG 3.47Å; V233-S235 PolarHBondContact O-N 3.34Å; V233-S235 VanDerWaalsContact O-N 3.14Å; S235-K237 PolarHBondContact O-N 2.59Å
236K57.2Low56.7Low200 Ų200167.6 Ų167.687%0.8777%0.767SS**SBendtrans-97.730.9-160.9-68.7-170.4176-1800117.6
237K59.7Low56.4Low201 Ų201164.2 Ų164.287%0.87477%0.772SS**  trans-143.878.9-178-161171.6-176.1174.50116.8S235S235-K237 PolarHBondContact O-N 2.59Å
238K60Low56.9Low214 Ų214169 Ų16993%0.9379%0.786SS**  trans-138.6119.5157.6-69.5-167.8177.6-179.70111.7
239R57.7Low57.3Low250 Ų250175 Ų17594%0.94381%0.805SS**  trans-77.9148.1179.7-85.4159.858.7176.1-3.2111.6
240K59Low57.8Low217 Ų217178.8 Ų178.894%0.94382%0.816SS**  trans-63.5138.1174.8-65.6178.3179.2175.40111.1
241K63.5Low58.1Low197 Ų197180.5 Ų180.586%0.85782%0.824SS**  trans-117.9125.4168.6-171.3173-177.5175.50108.4
242K61.3Low58.3Low206 Ų206183 Ų18390%0.89683%0.834SS**PPolyproline II helixtrans-79.2147.9179.7-69.7-174.8177.8-179.90110.8
243H50.5Low58.2Low182 Ų182188.3 Ų188.384%0.84385%0.85SS**PPolyproline II helixtrans-88.9132.8176-65.4-94.3000111.4
244K61.8Low58.1Low185 Ų185186.6 Ų186.680%0.80485%0.848SS**PPolyproline II helixtrans-85.3126.1171.3-173.9166.9177.9172.60109.2H246K244-H246 WeakPolarHBondContact CE-NE2 3.03Å
245K66.9Low57.6Low193 Ų193182.6 Ų182.684%0.83984%0.84SS**  trans-108.4122179.2-77.6-174.3177.5179.20111.4
246H57.3Low57.3Low165 Ų165183.4 Ų183.476%0.76485%0.846SS**  trans-138151.9154.2-52.7-72.4000106.6K244K244-H246 WeakPolarHBondContact CE-NE2 3.03Å
247G50.1Low56.7Low70 Ų70182.5 Ų182.572%0.72285%0.845SS**  cis157.288.6-1.400000108.9K249G247-K249 PolarHBondContact O-N 3.15Å; G247-K249 VanDerWaalsContact O-N 3.15Å
248R62.1Low56.1Low256 Ų256178.6 Ų178.697%0.96684%0.843SS**  trans-62.7113.9-173.1-64.2172.275.7-168.68110.9
249K65.4Low55.6Low211 Ų211175.8 Ų175.892%0.91784%0.838SS**  trans-91.7154.2159.9-73.8-169.8173.9-1760110.2G247G247-K249 PolarHBondContact O-N 3.15Å; G247-K249 VanDerWaalsContact O-N 3.15Å
250K62.3Low55.3Low197 Ų197168.3 Ų168.386%0.85782%0.824SS**  trans-105.7159.1-170.2-66.3178.4179.9174.10112
251K62.2Low55Low199 Ų199166.9 Ų166.987%0.86582%0.821SS**  trans15.6135149.7-61.8-174.5175.5-170.70119.1
252K53.8Low54.2Low215 Ų215165.2 Ų165.294%0.93582%0.82SS**  -139.5164.9116.7-79.3-157.3176.5-176.30109.9
253K52.4Low53.6Low197 Ų197166.9 Ų166.986%0.85784%0.839SS**  trans-143.7128.7173.8175-172.8174.6-174.90108.1
254A47.5Very low53.7Low81 Ų81166.1 Ų166.167%0.66984%0.839SS**  trans-157.6144.2162.600000105.1
255T48Very low53.3Low112 Ų112165.1 Ų165.169%0.68784%0.841SS**  cis73.4141.23471.70000114.1
256S43.9Very low52.6Low104 Ų104163.6 Ų163.673%0.72784%0.841SS**  trans69.2145.1-171.4-53.40000114.3
257Q45Very low52.3Low180 Ų180163.5 Ų163.584%0.84185%0.845SS**  cis-155176.5-18.7-130156.9-64.100109.5
258S47.8Very low52.4Low119 Ų119169.3 Ų169.383%0.83285%0.853SS**  trans-67.7151.5175-41.90000112.9
259D49.3Very low51.8Low155 Ų155163.5 Ų163.583%0.82985%0.845SS**  trans-151-174145.8-144.6-22.8000110.5
260S51.8Low50.8Low94 Ų94160.1 Ų160.166%0.65784%0.84SS**  trans-126.3-169.2-137.5-45.70000115.7
261E51.3Low49.9Very low187 Ų187157.3 Ų157.387%0.87484%0.839SS**  trans83.1171.8157.3-75.8-176116.300120.6
262L47.2Very low48.9Very low162 Ų162153.8 Ų153.885%0.84884%0.837SS**  trans-116.4149.1-145.8-64.2143.4000112.4
263D48.5Very low48.4Very low240 Ų240148.3 Ų148.3100%1.28383%0.828SS**  -159.70128.3-140.415.6000109.1

Retrieved 263 of 263 residues in 50.2 ms (Link to these results)