A0A096N0E6_PAPAN Loading...

Proheparin-binding EGF-like growth factor

Growth factor that mediates its effects via EGFR, ERBB2 and ERBB4. Required for normal cardiac valve formation and normal heart function. Promotes smooth muscle cell proliferation. May be involved in macrophage-mediated cellular proliferation. It is mitogenic for fibroblasts, but not endothelial cells. It is able to bind EGF receptor/EGFR with higher affinity than EGF itself and is a far more potent mitogen for smooth muscle cells than EGF. Also acts as a diphtheria toxin receptor.

AlphaFold DB , UniProt , Accession A0A096N0E6, Species PAPAN (Papio anubis, Olive baboon), Gene HBEGF, Length 208 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
1M44.4Very low60.6Low235 Ų235120.6 Ų120.6100%1.15863%0.63SS**  086.60-65.6163169.600109.7
2K51.3Low61.5Low179 Ų179118.8 Ų118.878%0.77862%0.621SS**  trans-125.411.1178.2-73176.9178.4171.10112.5P5K2-P5 WeakPolarHBondContact O-CD 3.11Å
3L48.6Very low62.7Low139 Ų139116.8 Ų116.873%0.72861%0.611SS**Hα-helixtrans-79.2-31.8-176.1-122.971.2000112.6S6 V7L3-S6 PolarHBondContact O-N 2.93Å; L3-V7 VanDerWaalsContact O-CG2 3.27Å; L3-V7 WeakPolarHBondContact O-CG2 3.04Å; L3-V7 PolarHBondContact O-N 3.12Å
4L54.4Low63.4Low133 Ų133112.1 Ų112.170%0.69660%0.597SS**Hα-helixtrans-54.7-48.2-177.5-72.5158.9000114.4S6 V7 V8L4-S6 PolarHBondContact O-N 3Å; L4-V7 PolarHBondContact O-N 3.26Å; L4-V8 WeakPolarHBondContact O-CB 3.15Å; L4-V8 VanDerWaalsContact O-CG2 3.23Å; L4-V8 WeakPolarHBondContact O-CG2 3.17Å; L4-V8 PolarHBondContact O-N 3.36Å
5P60.8Low64Low89 Ų89108.5 Ų108.558%0.57859%0.589SS**Hα-helixtrans-69.6-32.1-179.226.1-34.8000113K2 L9K2-P5 WeakPolarHBondContact O-CD 3.11Å; P5-L9 WeakPolarHBondContact O-CB 3.46Å; P5-L9 PolarHBondContact O-N 2.86Å
6S58.5Low64.6Low58 Ų58105.6 Ų105.641%0.40658%0.575SS.*Hα-helixtrans-71-38.7177-171.30000111.4L3 L4 K10L3-S6 PolarHBondContact O-N 2.93Å; L4-S6 PolarHBondContact O-N 3Å; S6-K10 VanDerWaalsContact O-CB 3.32Å; S6-K10 WeakPolarHBondContact O-CB 3.45Å; S6-K10 WeakPolarHBondContact O-CG 3.12Å; S6-K10 PolarHBondContact O-N 2.98Å
7V64.5Low64.8Low77 Ų77105.4 Ų105.447%0.46757%0.573SS.*Hα-helixtrans-69.8-42.1177.2177.80000110.6L3 L4 K10 L11L3-V7 VanDerWaalsContact O-CG2 3.27Å; L3-V7 WeakPolarHBondContact O-CG2 3.04Å; L3-V7 PolarHBondContact O-N 3.12Å; L4-V7 PolarHBondContact O-N 3.26Å; V7-K10 PolarHBondContact O-N 3.11Å; V7-L11 WeakPolarHBondContact O-CB 3.47Å; V7-L11 PolarHBondContact O-N 3.16Å
8V69.8Low65Low82 Ų82103.2 Ų103.250%0.49757%0.567SS.*Hα-helixtrans-65.1-42175.8173.60000111.3L4 K10 L11 L12L4-V8 WeakPolarHBondContact O-CB 3.15Å; L4-V8 VanDerWaalsContact O-CG2 3.23Å; L4-V8 WeakPolarHBondContact O-CG2 3.17Å; L4-V8 PolarHBondContact O-N 3.36Å; V8-K10 PolarHBondContact O-N 2.73Å; V8-L11 PolarHBondContact O-N 3.22Å; V8-L12 HydrophobicContact CG1-CD1 3.93Å; V8-L12 HydrophobicContact CG1-CG 4.41Å; V8-L12 WeakPolarHBondContact O-CB 3.05Å; V8-L12 VanDerWaalsContact O-CG 3.3Å; V8-L12 WeakPolarHBondContact O-CG 3.33Å; V8-L12 PolarHBondContact O-N 3.28Å
9L68.7Low64.7Low68 Ų68101.6 Ų101.636%0.35657%0.569SS.*Hα-helixtrans-63.7-40.9175.3-177.563.2000111.9P5 L12 L13 L176P5-L9 WeakPolarHBondContact O-CB 3.46Å; P5-L9 PolarHBondContact O-N 2.86Å; L9-L12 PolarHBondContact O-N 3.33Å; L9-L13 HydrophobicContact CD1-CD1 4.33Å; L9-L13 HydrophobicContact CG-CD1 4.08Å; L9-L13 VanDerWaalsContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 WeakPolarHBondContact O-CG 3.24Å; L9-L13 PolarHBondContact O-N 3.4Å; L9-L176 HydrophobicContact CD1-CD1 4.11Å; L9-L176 HydrophobicContact CD1-CD2 3.58Å; L9-L176 HydrophobicContact CD1-CG 4.5Å
10K73.9Confident64.2Low144 Ų144102.3 Ų102.363%0.62657%0.57SS**Hα-helixtrans-66.5-37.3174.2-76.3179.4179.5-172.50111.9S6 V7 V8 A14S6-K10 VanDerWaalsContact O-CB 3.32Å; S6-K10 WeakPolarHBondContact O-CB 3.45Å; S6-K10 WeakPolarHBondContact O-CG 3.12Å; S6-K10 PolarHBondContact O-N 2.98Å; V7-K10 PolarHBondContact O-N 3.11Å; V8-K10 PolarHBondContact O-N 2.73Å; K10-A14 WeakPolarHBondContact O-CB 3.47Å; K10-A14 PolarHBondContact O-N 3.28Å
11L71.6Confident63.9Low123 Ų123103.4 Ų103.464%0.64458%0.579SS**Hα-helixtrans-67.4-41175.9-129.978.9000111.5V7 V8 A14 A15V7-L11 WeakPolarHBondContact O-CB 3.47Å; V7-L11 PolarHBondContact O-N 3.16Å; V8-L11 PolarHBondContact O-N 3.22Å; L11-A14 PolarHBondContact O-N 2.88Å; L11-A15 VanDerWaalsContact O-CB 3.25Å; L11-A15 WeakPolarHBondContact O-CB 3.01Å; L11-A15 PolarHBondContact O-N 2.97Å
12L71.8Confident64.3Low99 Ų9995.7 Ų95.752%0.51855%0.546SS..Hα-helixtrans-68.6-45176.9-73.8169.1000111.4V8 L9 A14 A15 V16V8-L12 HydrophobicContact CG1-CD1 3.93Å; V8-L12 HydrophobicContact CG1-CG 4.41Å; V8-L12 WeakPolarHBondContact O-CB 3.05Å; V8-L12 VanDerWaalsContact O-CG 3.3Å; V8-L12 WeakPolarHBondContact O-CG 3.33Å; V8-L12 PolarHBondContact O-N 3.28Å; L9-L12 PolarHBondContact O-N 3.33Å; L12-A14 VanDerWaalsContact C-N 3.33Å; L12-A14 PolarHBondContact O-N 2.82Å; L12-A15 PolarHBondContact O-N 3.26Å; L12-V16 WeakPolarHBondContact O-CB 3.22Å; L12-V16 WeakPolarHBondContact O-CG2 3Å; L12-V16 PolarHBondContact O-N 3.34Å
13L76.5Confident64.4Low93 Ų9390.4 Ų90.449%0.48754%0.542SS..Hα-helixtrans-61.8-42.5173.4-81.8165.4000111.2L9 V16 L17L9-L13 HydrophobicContact CD1-CD1 4.33Å; L9-L13 HydrophobicContact CG-CD1 4.08Å; L9-L13 VanDerWaalsContact O-CB 3.31Å; L9-L13 WeakPolarHBondContact O-CB 3.45Å; L9-L13 WeakPolarHBondContact O-CG 3.24Å; L9-L13 PolarHBondContact O-N 3.4Å; L13-V16 PolarHBondContact O-N 3.36Å; L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 2.86Å
14A72.9Confident64.3Low50 Ų5091.2 Ų91.241%0.41354%0.542SS..Hα-helixtrans-63.9-43.4175.600000111.5K10 L11 L12 L17 S18K10-A14 WeakPolarHBondContact O-CB 3.47Å; K10-A14 PolarHBondContact O-N 3.28Å; L11-A14 PolarHBondContact O-N 2.88Å; L12-A14 VanDerWaalsContact C-N 3.33Å; L12-A14 PolarHBondContact O-N 2.82Å; A14-L17 PolarHBondContact O-N 3.37Å; A14-S18 WeakPolarHBondContact O-CB 3.5Å; A14-S18 PolarHBondContact O-N 2.06Å; A14-S18 PolarHBondContact O-OG 3.1Å
15A71.9Confident64.1Low58 Ų5889.7 Ų89.748%0.47954%0.543SS..Hα-helixtrans-65.9-39177.900000112.5L11 L12 A19L11-A15 VanDerWaalsContact O-CB 3.25Å; L11-A15 WeakPolarHBondContact O-CB 3.01Å; L11-A15 PolarHBondContact O-N 2.97Å; L12-A15 PolarHBondContact O-N 3.26Å; A15-A19 WeakPolarHBondContact O-CB 3.28Å; A15-A19 PolarHBondContact O-N 2.88Å
16V73.5Confident63.5Low62 Ų6290.4 Ų90.438%0.37654%0.541SS..Hα-helixtrans-69.5-44.8176.2170.90000110.7L12 L13 S18 A19 L20L12-V16 WeakPolarHBondContact O-CB 3.22Å; L12-V16 WeakPolarHBondContact O-CG2 3Å; L12-V16 PolarHBondContact O-N 3.34Å; L13-V16 PolarHBondContact O-N 3.36Å; V16-S18 VanDerWaalsContact C-N 3.34Å; V16-A19 PolarHBondContact O-N 3.04Å; V16-L20 HydrophobicContact CG1-CD1 3.77Å; V16-L20 WeakPolarHBondContact O-CB 3.22Å; V16-L20 WeakPolarHBondContact O-CD1 3.27Å; V16-L20 WeakPolarHBondContact O-CG 3.41Å; V16-L20 PolarHBondContact O-N 3.34Å
17L67.8Low63Low103 Ų10391.8 Ų91.854%0.53954%0.542SS..Hα-helixtrans-64.5-38.5175-72.7167.8000111.6L13 A14 L20 V21L13-L17 WeakPolarHBondContact O-CB 3.42Å; L13-L17 WeakPolarHBondContact O-CD1 3.49Å; L13-L17 WeakPolarHBondContact O-CG 3.46Å; L13-L17 PolarHBondContact O-N 2.86Å; A14-L17 PolarHBondContact O-N 3.37Å; L17-L20 PolarHBondContact O-N 3.11Å; L17-V21 VanDerWaalsContact O-CB 3.28Å; L17-V21 WeakPolarHBondContact O-CB 3.2Å; L17-V21 VanDerWaalsContact O-CG2 3.25Å; L17-V21 WeakPolarHBondContact O-CG2 3.03Å; L17-V21 PolarHBondContact O-N 2.75Å
18S68.6Low62.2Low66 Ų6694.8 Ų94.846%0.46255%0.554SS.*Hα-helixtrans-63.5-48.3172.2-70.20000110.5A14 V16 L20 V21 T22A14-S18 WeakPolarHBondContact O-CB 3.5Å; A14-S18 PolarHBondContact O-N 2.06Å; A14-S18 PolarHBondContact O-OG 3.1Å; V16-S18 VanDerWaalsContact C-N 3.34Å; S18-L20 PolarHBondContact O-N 3.01Å; S18-V21 PolarHBondContact O-N 2.88Å; S18-V21 VanDerWaalsContact O-N 3.11Å; S18-T22 PolarHBondContact O-N 3.48Å; S18-T22 PolarHBondContact O-OG1 2.03Å
19A59.9Low61.1Low72 Ų7296.8 Ų96.860%0.59556%0.561SS**Hα-helixtrans-61.6-28.9176.100000113.6A15 V16A15-A19 WeakPolarHBondContact O-CB 3.28Å; A15-A19 PolarHBondContact O-N 2.88Å; V16-A19 PolarHBondContact O-N 3.04Å
20L55.2Low60Low116 Ų116101.6 Ų101.661%0.60758%0.575SS**Hα-helixtrans-77.4-35.2173.6-81.6153.5000113V16 L17 S18V16-L20 HydrophobicContact CG1-CD1 3.77Å; V16-L20 WeakPolarHBondContact O-CB 3.22Å; V16-L20 WeakPolarHBondContact O-CD1 3.27Å; V16-L20 WeakPolarHBondContact O-CG 3.41Å; V16-L20 PolarHBondContact O-N 3.34Å; L17-L20 PolarHBondContact O-N 3.11Å; S18-L20 PolarHBondContact O-N 3.01Å
21V56.8Low58.8Low125 Ų125104 Ų10476%0.75858%0.58SS**Hα-helixtrans-85.8-40.3-178.1165.70000112.1L17 S18 G23L17-V21 VanDerWaalsContact O-CB 3.28Å; L17-V21 WeakPolarHBondContact O-CB 3.2Å; L17-V21 VanDerWaalsContact O-CG2 3.25Å; L17-V21 WeakPolarHBondContact O-CG2 3.03Å; L17-V21 PolarHBondContact O-N 2.75Å; S18-V21 PolarHBondContact O-N 2.88Å; S18-V21 VanDerWaalsContact O-N 3.11Å; V21-G23 PolarHBondContact O-N 3.41Å
22T52.7Low57.7Low73 Ų73100.6 Ų100.645%0.44858%0.575SS.*  trans-88.883.4170.161.60000108.4S18 E24S18-T22 PolarHBondContact O-N 3.48Å; S18-T22 PolarHBondContact O-OG1 2.03Å; T22-E24 PolarHBondContact O-N 2.88Å
23G55Low56.7Low69 Ų69102.4 Ų102.471%0.71158%0.584SS**THydrogen-bonded Turntrans-65.748.6167.100000113.2V21V21-G23 PolarHBondContact O-N 3.41Å
24E44.9Very low54.9Low155 Ų155102 Ų10272%0.72459%0.594SS**THydrogen-bonded Turntrans-107.9-3.9-174.6-81.5-164.3109.200114.4T22T22-E24 PolarHBondContact O-N 2.88Å
25S50.3Low53.3Low102 Ų102103.9 Ų103.971%0.71361%0.61SS**SBendtrans-96.49.8176.9-145.40000114.8
26L48.2Very low51.9Low104 Ų104104 Ų10455%0.54562%0.617SS.*SBendtrans-95-15.1172.1-156.475.9000112.9R30 Y157L26-R30 PolarHBondContact O-N 3.07Å; L26-Y157 HydrophobicContact CD2-CE2 4.22Å; L26-Y157 WeakPolarHBondContact CD2-OH 3.36Å
27E49.6Very low50.3Low87 Ų87106.7 Ų106.741%0.40763%0.634SS.*Hα-helixtrans-85.6-27.6-178.1-78.8-74.1129.800113.3R30 R31E27-R30 WeakPolarHBondContact O-CB 3.48Å; E27-R30 PolarHBondContact O-N 3.17Å; E27-R30 WeakPolarHBondContact OE1-CD 3.35Å; E27-R30 IonicContact OE1-CZ 3.81Å; E27-R30 IonicContact OE1-NH1 2.81Å; E27-R30 PolarHBondContact OE1-NH1 3.01Å; E27-R31 PolarHBondContact O-N 3.02Å; E27-R31 VanDerWaalsContact O-N 3.16Å
28L46.3Very low48.8Very low140 Ų140107.1 Ų107.173%0.73365%0.646SS**Hα-helixtrans-72.4-35.2176.4-104.1158.5000112.6R30 G32L28-R30 VanDerWaalsContact C-N 3.29Å; L28-G32 PolarHBondContact O-N 2.73Å
29L47.3Very low47.4Very low123 Ų123110.6 Ų110.664%0.64466%0.659SS**Hα-helixtrans-69.4-29.7171.7-119.3141.1000111.8L33L29-L33 PolarHBondContact O-N 3.03Å
30R46Very low46.5Very low170 Ų170113.2 Ų113.264%0.64267%0.67SS**Hα-helixtrans-70.4-37.1176.8-154178.7-170.1-175.21.6112.8L26 E27 L28L26-R30 PolarHBondContact O-N 3.07Å; E27-R30 WeakPolarHBondContact O-CB 3.48Å; E27-R30 PolarHBondContact O-N 3.17Å; E27-R30 WeakPolarHBondContact OE1-CD 3.35Å; E27-R30 IonicContact OE1-CZ 3.81Å; E27-R30 IonicContact OE1-NH1 2.81Å; E27-R30 PolarHBondContact OE1-NH1 3.01Å; L28-R30 VanDerWaalsContact C-N 3.29Å
31R47.9Very low45.3Very low193 Ų193114.2 Ų114.273%0.72868%0.676SS**Hα-helixtrans-76.8-30.6174.9-74.8-175.9177.8144.71.9113.3E27E27-R31 PolarHBondContact O-N 3.02Å; E27-R31 VanDerWaalsContact O-N 3.16Å
32G49.4Very low45Very low53 Ų53113.5 Ų113.555%0.54667%0.674SS.*Hα-helixtrans-69.5-32.417600000114.1L28L28-G32 PolarHBondContact O-N 2.73Å
33L49.3Very low43.8Very low136 Ų136115 Ų11571%0.71269%0.687SS**Hα-helixtrans-84.6-19.5-178-127.673.5000114.2L29L29-L33 PolarHBondContact O-N 3.03Å
34A40.5Very low42.9Very low84 Ų84118.9 Ų118.969%0.69470%0.697SS**Hα-helixtrans-83.4-17.117900000113.8
35A38.9Very low42Very low91 Ų91115.1 Ų115.175%0.75270%0.7SS**SBendtrans-92.7-2.6179.500000113.8
36G41.1Very low40.9Very low61 Ų61115.6 Ų115.663%0.62970%0.703SS**SBendtrans-100.6-1.9-170.800000116.9
37T40.2Very low40Very low117 Ų117116.9 Ų116.972%0.71872%0.716SS**  trans-132.268.3-176.469.10000111.8
38S36.5Very low39.2Very low113 Ų113119.6 Ų119.679%0.7973%0.733SS**  trans-71.2124.4154.254.70000108.8
39N40Very low38.5Very low139 Ų139121.8 Ų121.874%0.74374%0.739SS**  trans-40.7156.1179.5-70.6-50.9000115.5
40P39.6Very low37.7Very low127 Ų127122.7 Ų122.783%0.82574%0.744SS**  -132126.894.133.8-22.2000113.8
41D31.1Very low36.9Very low137 Ų137121.6 Ų121.673%0.73375%0.75SS**  trans-74.9168.6143.9-88.6-45.3000108.7
42P50.2Low35.8Very low109 Ų109124.4 Ų124.471%0.70876%0.761SS**  cis-138.8171.410.930.2-7.7000115
43S27.8Very low34.9Very low104 Ų104130 Ų13073%0.72778%0.777SS**  156.9111124.6-69.10000113
44T34.9Very low34Very low151 Ų151127.3 Ų127.393%0.92678%0.783SS**  trans24.3114.9130.5-25.90000118.4
45G27.1Very low33.5Very low76 Ų76127.1 Ų127.178%0.78479%0.789SS**  trans-178.498.9169.300000114.6
46S27.1Very low33.2Very low112 Ų112126.3 Ų126.378%0.78379%0.79SS**  trans-35.5131.3161.5177.50000115.3
47T29.6Very low32.8Very low132 Ų132135.5 Ų135.581%0.8181%0.805SS**  171148.9119.118.10000113.6
48D31.8Very low32.4Very low144 Ų144137.4 Ų137.477%0.7781%0.811SS**  trans-48.2153.2174.6-61.6-80.2000117
49Q31.7Very low32.4Very low185 Ų185143 Ų14386%0.86482%0.815SS**  169.8110.8122.2-87.6-166.610300110.9
50L30.1Very low31.9Very low143 Ų143145 Ų14575%0.74982%0.817SS**  81.7110.282.2-127.4154.5000116
51L29.3Very low31.5Very low146 Ų146144.3 Ų144.376%0.76481%0.81SS**  trans34.1128.4154.1-61.1168.9000121.8
52R26.1Very low31.5Very low253 Ų253147.8 Ų147.896%0.95581%0.813SS**  trans-14296.5142-99.5-92.5152.583.6-3.5110.6
53L30.9Very low30.6Very low170 Ų170149.3 Ų149.389%0.8982%0.815SS**  trans-97.7135.4166.3-16179.5000108.6
54G29.6Very low31Very low80 Ų80152.7 Ų152.783%0.82582%0.824SS**  trans157.7137.1170.600000109.9
55G29.6Very low31.2Very low80 Ų80154.3 Ų154.383%0.82582%0.821SS**  cis-178.8147.25.200000106
56G32.2Very low31.7Very low74 Ų74159.4 Ų159.476%0.76383%0.825SS**  trans-79.6-176.6-160.600000118.6
57R33.6Very low32.1Very low253 Ų253158.8 Ų158.896%0.95583%0.826SS**  trans-166119.6146.8-108.2170.4-165.4177.54.7111.8
58D32.3Very low32.4Very low157 Ų157158 Ų15884%0.8482%0.817SS**  trans-57.1139.8159.5-78.3-89.8000113.7
59R36.5Very low33Very low230 Ų230158.2 Ų158.287%0.86882%0.818SS**  -179.7126.2120.4-108.6174.4172164.3-1.7114.6
60K28.3Very low33.3Very low181 Ų181155.1 Ų155.179%0.78781%0.807SS**  trans78.699.2135.8-131.3153.4-178.2175.50117.4
61V31Very low33.7Very low114 Ų114154.7 Ų154.769%0.69180%0.804SS**  91.1119.570.7163.40000112.4
62R31.6Very low34Very low209 Ų209153.8 Ų153.879%0.78980%0.8SS**  trans67.6108.3153.2-69.9168.974.5158.59.8118.1
63D31Very low34.6Very low141 Ų141150.9 Ų150.975%0.75479%0.789SS**SBend176.8102.6101-85.8-38.3000108.9
64L36.3Very low35Very low176 Ų176148.5 Ų148.592%0.92178%0.781SS**  trans-174.534.6147.4-123.8102000112.5E66L64-E66 PolarHBondContact O-N 2.03Å
65Q40Very low35.4Very low184 Ų184151.2 Ų151.286%0.8678%0.782SS**  trans-92.774.5174.8-169.195.738.800108.3
66E38Very low36.3Very low184 Ų184155.1 Ų155.186%0.8678%0.783SS**SBendtrans-165.333.1166.3-152.776.1158.500114.1L64L64-E66 PolarHBondContact O-N 2.03Å
67A34.6Very low37.3Very low98 Ų98157 Ų15781%0.8178%0.784SS**SBendtrans-153.73.9176.400000117.7
68D35.4Very low37.4Very low117 Ų117150.4 Ų150.463%0.62678%0.777SS**  trans-111.55.6-174.6-15940.9000114.1D70D68-D70 PolarHBondContact O-N 3.06Å
69L44.3Very low37.3Very low148 Ų148152 Ų15278%0.77578%0.776SS**THydrogen-bonded Turntrans-87.129.4-178.5-14976.3000113.6
70D37.9Very low37.4Very low119 Ų119146.9 Ų146.964%0.63677%0.773SS**THydrogen-bonded Turntrans-129.8-9.5171.8-95.5-40.2000114.6D68 R73D68-D70 PolarHBondContact O-N 3.06Å; D70-R73 IonicContact OD1-NH1 3.51Å
71L39Very low37.6Very low134 Ų134147.4 Ų147.470%0.70278%0.779SS**THydrogen-bonded Turntrans-90.3-17.5175.1-157.264.2000113.5R73L71-R73 VanDerWaalsContact C-N 3.26Å; L71-R73 PolarHBondContact O-N 3.11Å
72L36.4Very low37.8Very low128 Ų128146.5 Ų146.567%0.6778%0.783SS**THydrogen-bonded Turntrans-76.7-3.5174.8-95.594.1000114.6
73R37.4Very low38.5Very low192 Ų192143.6 Ų143.673%0.72578%0.782SS**THydrogen-bonded Turntrans-88.6-11.3-178.2-95.9-175.5-179.2132.7-1.7115.3D70 L71D70-R73 IonicContact OD1-NH1 3.51Å; L71-R73 VanDerWaalsContact C-N 3.26Å; L71-R73 PolarHBondContact O-N 3.11Å
74V39.1Very low38.9Very low120 Ų120141.7 Ų141.773%0.72779%0.786SS**SBendtrans-96.1-10.1-169.2-173.10000114.3
75T39.5Very low38.8Very low136 Ų136138.1 Ų138.183%0.83477%0.772SS**SBendtrans-1066.7178.531.90000115.5
76L48.4Very low38.7Very low162 Ų162135 Ų13585%0.84877%0.768SS**  trans-10638.2178.6-121.4147.9000113.1
77S52.8Low39Very low113 Ų113131.4 Ų131.479%0.7976%0.762SS**  trans-13181.2172.5-178.90000111.3
78S35.9Very low39.1Very low116 Ų116136 Ų13681%0.81176%0.764SS**  trans-134.6118.9144.460.30000109.5
79K30Very low39.7Very low189 Ų189138.7 Ų138.782%0.82277%0.773SS**  trans-42.9141.6173.3-157.384172.2-174.10110.5Q81K79-Q81 PolarHBondContact O-N 3.3Å
80P39.3Very low39.4Very low123 Ų123140 Ų14080%0.79978%0.775SS**  trans-66.6112177.427.8-33.2000109.1
81Q31Very low39.9Very low193 Ų193143.4 Ų143.490%0.90279%0.787SS**  trans-86.6126.1162.8-78.4-164.94.400109.1K79K79-Q81 PolarHBondContact O-N 3.3Å
82A37Very low40.1Very low94 Ų94139.7 Ų139.778%0.77778%0.781SS**  trans-59.514417600000111.3
83L44.9Very low40.6Very low148 Ų148143.8 Ų143.878%0.77579%0.793SS**  trans58.891.7141.4-156.577.9000117T85L83-T85 HydrophobicContact CD1-CG2 4.04Å
84A39.5Very low41.2Very low101 Ų101146.6 Ų146.684%0.83580%0.804SS**  trans-12980.2143.800000108.5P86A84-P86 WeakPolarHBondContact O-CD 3.43Å
85T35Very low41.7Very low102 Ų102150.7 Ų150.763%0.62681%0.812SS**  trans-60.2126.9161430000108.7L83 S87L83-T85 HydrophobicContact CD1-CG2 4.04Å; T85-S87 PolarHBondContact O-N 3.24Å
86P37.9Very low42.5Very low119 Ų119154.6 Ų154.677%0.77382%0.817SS**  trans-70.8101.8159.928.3-27.7000106.7A84 K88A84-P86 WeakPolarHBondContact O-CD 3.43Å; P86-K88 PolarHBondContact O-N 2.97Å; P86-K88 VanDerWaalsContact O-N 3.17Å
87S43.7Very low42.8Very low107 Ų107156.9 Ų156.975%0.74882%0.82SS**  trans-65.5107.5161.4-179.20000107T85T85-S87 PolarHBondContact O-N 3.24Å
88K37.1Very low42.9Very low194 Ų194154.8 Ų154.884%0.84382%0.817SS**  trans-113.6106.1154.2-75.7-146173.4-172.50107.6P86 E90P86-K88 PolarHBondContact O-N 2.97Å; P86-K88 VanDerWaalsContact O-N 3.17Å; K88-E90 PolarHBondContact O-N 3.4Å
89E46.9Very low44Very low175 Ų175159.8 Ų159.882%0.81882%0.824SS**  trans-64.5112.4160.4-168175.6172.700107.5
90E39.2Very low45.2Very low174 Ų174153.8 Ų153.881%0.81382%0.816SS**  trans-122.1104.7169.8-166-174.1140.600108.8K88 G92K88-E90 PolarHBondContact O-N 3.4Å; E90-G92 PolarHBondContact O-N 3.37Å
91H48.9Very low46Very low191 Ų191156.9 Ų156.988%0.88482%0.824SS**  trans-68.1102.3167.7-120.843.1000108.9
92G42.8Very low47Very low56 Ų56150.9 Ų150.958%0.57782%0.815SS**  trans-146.3114.4179.200000112.6E90 R94E90-G92 PolarHBondContact O-N 3.37Å; G92-R94 PolarHBondContact O-N 3.04Å
93K46.1Very low48.1Very low215 Ų215155.7 Ų155.794%0.93582%0.818SS**  trans-50.1123.9-174.3-71.2178.3176.6177.90113.3K95K93-K95 PolarHBondContact O-N 2.66Å; K93-K95 VanDerWaalsContact O-N 3.12Å
94R50.2Low49Very low250 Ų250157.7 Ų157.794%0.94382%0.82SS**  trans-68.1101.1177-70179.2171.5-178.6-1.7111.8G92G92-R94 PolarHBondContact O-N 3.04Å
95K50.4Low50.5Low207 Ų207161.8 Ų161.890%0.981%0.814SS**  trans-82.1108.6157.1-84.5-174.7175.8178.30109.2K93 K97K93-K95 PolarHBondContact O-N 2.66Å; K93-K95 VanDerWaalsContact O-N 3.12Å; K95-K97 PolarHBondContact O-N 3.35Å
96K56.4Low52.7Low218 Ų218161.6 Ų161.695%0.94881%0.809SS**  trans-71.687.6-178.9-150.7177.2-171.7179.70109.4
97K54.3Low55Low209 Ų209157.6 Ų157.691%0.90978%0.783SS**  trans-91131.9176.1-151.4167.2-176.4176.20110K95K95-K97 PolarHBondContact O-N 3.35Å
98G53.9Low57.1Low70 Ų70153 Ų15372%0.72275%0.751SS**  trans-52.3152.7-163.300000116.7G100G98-G100 VanDerWaalsContact C-N 3.33Å; G98-G100 PolarHBondContact O-N 3.1Å
99K58.8Low59.3Low221 Ų221149.3 Ų149.396%0.96174%0.74SS**  trans-68.685.2174.4-72.3179.7173.6-1790109.7
100G54.9Low61.1Low62 Ų62150.8 Ų150.864%0.63974%0.738SS**  trans-76.9142.1160.700000110.1G98 G102G98-G100 VanDerWaalsContact C-N 3.33Å; G98-G100 PolarHBondContact O-N 3.1Å; G100-G102 PolarHBondContact O-N 3.31Å
101L56.6Low63.3Low188 Ų188149.8 Ų149.898%0.98473%0.731SS**  trans-44.298.6178.7-75.1113.6000111.7K103L101-K103 PolarHBondContact O-N 3.03Å
102G53.1Low65.1Low68 Ų68143 Ų14370%0.70170%0.698SS**  trans-89.494-167.400000111.3G100 K104G100-G102 PolarHBondContact O-N 3.31Å; G102-K104 PolarHBondContact O-N 2.79Å; G102-K104 VanDerWaalsContact O-N 3.16Å
103K60.1Low67.1Low194 Ų194147.3 Ų147.384%0.84370%0.701SS**  trans-47.6125.3150.9-67.2-178.2-179.8-176.80106.3L101 R105L101-K103 PolarHBondContact O-N 3.03Å; K103-R105 VanDerWaalsContact C-N 3.32Å; K103-R105 PolarHBondContact O-N 3.07Å
104K63.9Low69.1Low190 Ų190143.1 Ų143.183%0.82669%0.689SS**  trans-53.496.7-178.8-174.8-175.7-179.1-168.10108G102G102-K104 PolarHBondContact O-N 2.79Å; G102-K104 VanDerWaalsContact O-N 3.16Å
105R71.2Confident71Confident187 Ų187133.5 Ų133.571%0.70665%0.654SS**  trans-64.2143.8-177.9-72.1-169.3179.4-166.7-0.9108.5K103K103-R105 VanDerWaalsContact C-N 3.32Å; K103-R105 PolarHBondContact O-N 3.07Å
106D79.9Confident73Confident98 Ų98124.4 Ų124.452%0.52462%0.616SS.*  trans-56133.6-176.3-62.8-64.4000111.3C108 L109D106-C108 PolarHBondContact O-N 2.71Å; D106-C108 VanDerWaalsContact O-N 3.11Å; D106-L109 PolarHBondContact O-N 2.74Å
107P87.5Confident74.7Confident35 Ų35118.3 Ų118.323%0.22759%0.593CS.*G310 helixtrans-55.9-27.7178.3-28.136.2000113.7L109 R110 K111 Y112 Y123P107-L109 VanDerWaalsContact C-N 3.3Å; P107-L109 PolarHBondContact O-N 2.66Å; P107-R110 PolarHBondContact O-N 2.87Å; P107-K111 PolarHBondContact O-N 3Å; P107-Y112 HydrophobicContact CB-CD2 4.16Å; P107-Y112 HydrophobicContact CB-CE2 4.26Å; P107-Y112 PolarHBondContact O-N 3.34Å; P107-Y123 HydrophobicContact CB-CD2 3.83Å; P107-Y123 HydrophobicContact CB-CE2 4.14Å; P107-Y123 HydrophobicContact CB-CG 4.03Å; P107-Y123 HydrophobicContact CG-CD1 3.86Å; P107-Y123 HydrophobicContact CG-CD2 4.05Å; P107-Y123 HydrophobicContact CG-CE1 4.05Å; P107-Y123 HydrophobicContact CG-CE2 4.25Å; P107-Y123 HydrophobicContact CG-CG 3.83Å
108C86.6Confident76.5Confident10 Ų10111.5 Ų111.57%0.06856%0.564CS.*G310 helixtrans-56.3-39.8173-81.10000112.8D106 R110 Y112 K113 C121 K122D106-C108 PolarHBondContact O-N 2.71Å; D106-C108 VanDerWaalsContact O-N 3.11Å; C108-R110 VanDerWaalsContact C-N 3.28Å; C108-R110 PolarHBondContact O-N 2.76Å; C108-Y112 CarbonylContact O-C 3.25Å; C108-Y112 VanDerWaalsContact O-C 3.25Å; C108-K113 WeakPolarHBondContact O-CA 3.34Å; C108-K113 PolarHBondContact O-N 3Å; C108-C121 HydrophobicContact CB-CB 3.72Å; C108-C121 WeakPolarHBondContact CB-SG 3.15Å; C108-C121 WeakPolarHBondContact SG-CB 3.45Å; C108-C121 PolarHBondContact SG-O 3.06Å; C108-C121 VanDerWaalsContact SG-O 3.37Å; C108-C121 CovalentContact SG-SG 2.06Å; C108-C121 PolarHBondContact SG-SG 3.4Å; C108-K122 VanDerWaalsContact SG-C 3.56Å
109L84.3Confident78.3Confident118 Ų118109 Ų10962%0.61854%0.538SS*.G310 helixtrans-78-11.1-176.5-64.1175.7000114.1D106 P107D106-L109 PolarHBondContact O-N 2.74Å; P107-L109 VanDerWaalsContact C-N 3.3Å; P107-L109 PolarHBondContact O-N 2.66Å
110R83.6Confident79.9Confident205 Ų205104.5 Ų104.577%0.77452%0.521SS*.THydrogen-bonded Turntrans-118.7-62.2-179.5-77.7-149.9171.5-161.5-0.2113.2P107 C108P107-R110 PolarHBondContact O-N 2.87Å; C108-R110 VanDerWaalsContact C-N 3.28Å; C108-R110 PolarHBondContact O-N 2.76Å
111K85.8Confident81.7Confident154 Ų154103 Ų10367%0.6750%0.5SS*.THydrogen-bonded Turntrans-86.3-31.2-170.9-173.5177.5175.7-165.90112.3P107P107-K111 PolarHBondContact O-N 3Å
112Y86.8Confident83.4Confident49 Ų49100.1 Ų100.119%0.19248%0.479CS..SBendtrans-12127.1-171.3-54-74000113.2P107 C108 D114 F115 Y123 P130P107-Y112 HydrophobicContact CB-CD2 4.16Å; P107-Y112 HydrophobicContact CB-CE2 4.26Å; P107-Y112 PolarHBondContact O-N 3.34Å; C108-Y112 CarbonylContact O-C 3.25Å; C108-Y112 VanDerWaalsContact O-C 3.25Å; Y112-D114 VanDerWaalsContact C-N 3.26Å; Y112-D114 PolarHBondContact O-N 3.33Å; Y112-F115 WeakPolarHBondContact O-CB 3.39Å; Y112-F115 PolarHBondContact O-N 3.45Å; Y112-F115 VanDerWaalsContact O-N 3.1Å; Y112-Y123 HydrophobicContact CE2-CD2 4.33Å; Y112-Y123 HydrophobicContact CE2-CE2 4.16Å; Y112-P130 HydrophobicContact CD1-CB 4.25Å; Y112-P130 HydrophobicContact CD1-CG 3.72Å; Y112-P130 HydrophobicContact CD2-CB 4.2Å; Y112-P130 HydrophobicContact CD2-CG 4.33Å; Y112-P130 HydrophobicContact CE1-CG 3.85Å; Y112-P130 HydrophobicContact CE2-CG 4.46Å; Y112-P130 HydrophobicContact CG-CB 3.97Å; Y112-P130 HydrophobicContact CG-CG 3.96Å
113K84.3Confident85.2Confident146 Ų146100.1 Ų100.164%0.63546%0.459SS*.THydrogen-bonded Turntrans-58.4-39.5-173.3-172.4-173.3171.8-1530112.3C108C108-K113 WeakPolarHBondContact O-CA 3.34Å; C108-K113 PolarHBondContact O-N 3Å
114D88.3Confident86.6Confident127 Ų12793 Ų9368%0.67943%0.431SS*.THydrogen-bonded Turntrans-107.622.4-178.5-46.8-55.8000111.6Y112 R142Y112-D114 VanDerWaalsContact C-N 3.26Å; Y112-D114 PolarHBondContact O-N 3.33Å; D114-R142 PolarHBondContact O-NH2 3.35Å
115F90.3Very high87.7Confident48 Ų4891.4 Ų91.421%0.21143%0.425CS..THydrogen-bonded Turntrans-73.4-47.7177.4-177.2-103.3000111.1Y112 P130 C132 R142Y112-F115 WeakPolarHBondContact O-CB 3.39Å; Y112-F115 PolarHBondContact O-N 3.45Å; Y112-F115 VanDerWaalsContact O-N 3.1Å; F115-P130 HydrophobicContact CD1-CB 4.04Å; F115-P130 HydrophobicContact CD1-CG 3.98Å; F115-P130 HydrophobicContact CE1-CB 4.29Å; F115-P130 HydrophobicContact CE1-CG 3.96Å; F115-P130 HydrophobicContact CG-CG 4.34Å; F115-P130 HydrophobicContact CZ-CG 4.28Å; F115-C132 WeakPolarHBondContact CD1-SG 3.4Å; F115-R142 HydrophobicContact CD1-CG 4.39Å; F115-R142 HydrophobicContact CD2-CG 4.2Å; F115-R142 HydrophobicContact CE1-CG 3.91Å; F115-R142 HydrophobicContact CE2-CG 3.7Å; F115-R142 HydrophobicContact CZ-CG 3.54Å; F115-R142 WeakPolarHBondContact O-CB 2.98Å; F115-R142 VanDerWaalsContact O-CZ 3.29Å; F115-R142 PolarHBondContact O-NE 2.95Å; F115-R142 PolarHBondContact O-NH2 3.49Å; F115-R142 VanDerWaalsContact O-NH2 3.07Å
116C92.9Very high88.5Confident15 Ų1590 Ų9010%0.10143%0.426CS..  trans-85.3126.3174.6-49.40000109.5C121 C132C116-C121 VanDerWaalsContact SG-CA 3.57Å; C116-C132 WeakPolarHBondContact CA-SG 3.26Å; C116-C132 HydrophobicContact CB-CB 3.82Å; C116-C132 WeakPolarHBondContact CB-SG 3.28Å; C116-C132 WeakPolarHBondContact SG-CA 3.08Å; C116-C132 WeakPolarHBondContact SG-CB 3.28Å; C116-C132 CovalentContact SG-SG 2.03Å; C116-C132 PolarHBondContact SG-SG 3.42Å
117I91.9Very high88.8Confident90 Ų9091.7 Ų91.746%0.46243%0.434SS..SBendtrans-85.5-53.7-179.4-49.8176.4000109.8R142 H144I117-R142 PolarHBondContact N-O 3.16Å; I117-H144 HydrophobicContact CD1-CB 3.92Å
118H92.4Very high88.7Confident67 Ų6799.6 Ų99.631%0.3146%0.46SS..SBendtrans-122.466.5-179.3-56.499.3000110.6H135 Y138 C143H118-H135 PolarHBondContact O-N 2.76Å; H118-Y138 HydrophobicContact CB-CD1 3.52Å; H118-Y138 HydrophobicContact CB-CD2 3.96Å; H118-Y138 HydrophobicContact CB-CE1 3.71Å; H118-Y138 HydrophobicContact CB-CE2 4.13Å; H118-Y138 HydrophobicContact CB-CG 3.63Å; H118-Y138 AromaticContact CD2-CE1 3.66Å; H118-Y138 AromaticContact CD2-CZ 3.64Å; H118-Y138 AromaticContact CE1-CE1 3.63Å; H118-Y138 AromaticContact CG-CD1 3.58Å; H118-Y138 AromaticContact CG-CE1 3.28Å; H118-Y138 AromaticContact CG-CZ 3.66Å; H118-Y138 AromaticContact ND1-CD1 3.57Å; H118-Y138 AromaticContact ND1-CE1 3.27Å; H118-Y138 VanDerWaalsContact ND1-CE1 3.27Å; H118-Y138 WeakPolarHBondContact ND1-CE1 3.32Å; H118-Y138 AromaticContact NE2-CE1 3.87Å; H118-C143 HydrophobicContact CB-CB 4.31Å; H118-C143 PolarHBondContact ND1-O 2.98Å; H118-C143 VanDerWaalsContact O-CB 3.28Å; H118-C143 WeakPolarHBondContact O-CB 3.45Å
119G91.4Very high88.8Confident17 Ų17100.9 Ų100.918%0.17547%0.471CS..EExtended strand (participates in β ladder)trans173.9178.5-179.500000113.9I133G119-I133 CarbonylContact C-O 3.49Å; G119-I133 WeakPolarHBondContact CA-O 3.37Å
120E92.4Very high89.1Confident127 Ų12796.6 Ų96.659%0.59345%0.45SS*.EExtended strand (participates in β ladder)trans-94131.9-179-69.6-69.6174.800111C132 I133E120-C132 WeakPolarHBondContact O-CA 3.33Å; E120-I133 HydrophobicContact CB-CB 4.45Å; E120-I133 PolarHBondContact N-O 3.19Å; E120-I133 PolarHBondContact O-N 3.3Å
121C92.8Very high89.4Confident30 Ų3089.4 Ų89.420%0.20343%0.431CS..EExtended strand (participates in β ladder)trans-84126.2177.5-1760000111.4C108 C116C108-C121 HydrophobicContact CB-CB 3.72Å; C108-C121 WeakPolarHBondContact CB-SG 3.15Å; C108-C121 WeakPolarHBondContact SG-CB 3.45Å; C108-C121 PolarHBondContact SG-O 3.06Å; C108-C121 VanDerWaalsContact SG-O 3.37Å; C108-C121 CovalentContact SG-SG 2.06Å; C108-C121 PolarHBondContact SG-SG 3.4Å; C116-C121 VanDerWaalsContact SG-CA 3.57Å
122K91.9Very high89.8Confident127 Ų12782.9 Ų82.955%0.55241%0.405SS*.EExtended strand (participates in β ladder)trans-123.2134.3167.9-68.9-146.5176.6178.90111.4C108 S131 I133C108-K122 VanDerWaalsContact SG-C 3.56Å; K122-S131 PolarHBondContact N-O 3.45Å; K122-S131 PolarHBondContact O-N 2.82Å; K122-S131 VanDerWaalsContact O-O 3.07Å; K122-I133 HydrophobicContact CD-CD1 3.95Å; K122-I133 HydrophobicContact CG-CD1 4.12Å
123Y90.8Very high90Very high68 Ų6884.9 Ų84.927%0.26742%0.418SS..EExtended strand (participates in β ladder)trans-94.4116.4175.6-172.8-98.5000110.2P107 Y112 K125 R128P107-Y123 HydrophobicContact CB-CD2 3.83Å; P107-Y123 HydrophobicContact CB-CE2 4.14Å; P107-Y123 HydrophobicContact CB-CG 4.03Å; P107-Y123 HydrophobicContact CG-CD1 3.86Å; P107-Y123 HydrophobicContact CG-CD2 4.05Å; P107-Y123 HydrophobicContact CG-CE1 4.05Å; P107-Y123 HydrophobicContact CG-CE2 4.25Å; P107-Y123 HydrophobicContact CG-CG 3.83Å; Y112-Y123 HydrophobicContact CE2-CD2 4.33Å; Y112-Y123 HydrophobicContact CE2-CE2 4.16Å; Y123-K125 HydrophobicContact CD1-CG 4.3Å; Y123-K125 HydrophobicContact CE1-CG 4.47Å; Y123-R128 WeakPolarHBondContact CE2-O 3.3Å; Y123-R128 VanDerWaalsContact OH-CA 3.24Å; Y123-R128 WeakPolarHBondContact OH-CA 3.5Å; Y123-R128 PolarHBondContact OH-O 2.87Å
124V90.1Very high90.4Very high44 Ų4479.7 Ų79.727%0.26740%0.4SS..EExtended strand (participates in β ladder)trans-90.3115.9179.1-172.10000108.1E126 L127 R128 A129V124-E126 VanDerWaalsContact C-N 3.32Å; V124-E126 HydrophobicContact CG1-CB 4.41Å; V124-E126 WeakPolarHBondContact CG1-OE2 3.1Å; V124-E126 PolarHBondContact O-N 3.26Å; V124-L127 HydrophobicContact CB-CD1 4.32Å; V124-L127 HydrophobicContact CG1-CD1 3.54Å; V124-R128 WeakPolarHBondContact O-CA 3.2Å; V124-R128 PolarHBondContact O-N 2.8Å; V124-A129 PolarHBondContact N-O 3.18Å; V124-A129 PolarHBondContact O-N 3.45Å
125K87.1Confident90.5Very high158 Ų15878 Ų7869%0.68739%0.388SS*.THydrogen-bonded Turntrans-72.5-30.9-171.1-68.7177.2-175.1168.50111.8Y123 R128Y123-K125 HydrophobicContact CD1-CG 4.3Å; Y123-K125 HydrophobicContact CE1-CG 4.47Å; K125-R128 WeakPolarHBondContact O-CG 2.96Å; K125-R128 PolarHBondContact O-N 2.64Å
126E88.2Confident90.3Very high156 Ų15681.9 Ų81.973%0.72942%0.418SS*.THydrogen-bonded Turntrans-66.7-45.6-177.5-61.770.1-151.800110.6V124V124-E126 VanDerWaalsContact C-N 3.32Å; V124-E126 HydrophobicContact CG1-CB 4.41Å; V124-E126 WeakPolarHBondContact CG1-OE2 3.1Å; V124-E126 PolarHBondContact O-N 3.26Å
127L84.7Confident89.7Confident134 Ų13482.7 Ų82.770%0.70243%0.429SS*.THydrogen-bonded Turntrans-87.7-6.8176.1-66.699.1000113.2V124 A129V124-L127 HydrophobicContact CB-CD1 4.32Å; V124-L127 HydrophobicContact CG1-CD1 3.54Å; L127-A129 HydrophobicContact CB-CB 4.32Å; L127-A129 PolarHBondContact O-N 3.21Å; L127-A129 VanDerWaalsContact O-N 3.11Å
128R86.3Confident89.5Confident201 Ų20181.9 Ų81.976%0.75842%0.421SS*.THydrogen-bonded Turntrans52.727.4-173.7-57.6-179.5178.8-174.50.6113.6Y123 V124 K125Y123-R128 WeakPolarHBondContact CE2-O 3.3Å; Y123-R128 VanDerWaalsContact OH-CA 3.24Å; Y123-R128 WeakPolarHBondContact OH-CA 3.5Å; Y123-R128 PolarHBondContact OH-O 2.87Å; V124-R128 WeakPolarHBondContact O-CA 3.2Å; V124-R128 PolarHBondContact O-N 2.8Å; K125-R128 WeakPolarHBondContact O-CG 2.96Å; K125-R128 PolarHBondContact O-N 2.64Å
129A88Confident89.2Confident38 Ų3883.3 Ų83.331%0.31443%0.427SS..EExtended strand (participates in β ladder)trans-127.8152.8-172.900000112.2V124 L127V124-A129 PolarHBondContact N-O 3.18Å; V124-A129 PolarHBondContact O-N 3.45Å; L127-A129 HydrophobicContact CB-CB 4.32Å; L127-A129 PolarHBondContact O-N 3.21Å; L127-A129 VanDerWaalsContact O-N 3.11Å
130P90.8Very high89.1Confident27 Ų2784.2 Ų84.218%0.17544%0.437CS..EExtended strand (participates in β ladder)trans-74.1145.4169.434.1-35.6000110.9Y112 F115Y112-P130 HydrophobicContact CD1-CB 4.25Å; Y112-P130 HydrophobicContact CD1-CG 3.72Å; Y112-P130 HydrophobicContact CD2-CB 4.2Å; Y112-P130 HydrophobicContact CD2-CG 4.33Å; Y112-P130 HydrophobicContact CE1-CG 3.85Å; Y112-P130 HydrophobicContact CE2-CG 4.46Å; Y112-P130 HydrophobicContact CG-CB 3.97Å; Y112-P130 HydrophobicContact CG-CG 3.96Å; F115-P130 HydrophobicContact CD1-CB 4.04Å; F115-P130 HydrophobicContact CD1-CG 3.98Å; F115-P130 HydrophobicContact CE1-CB 4.29Å; F115-P130 HydrophobicContact CE1-CG 3.96Å; F115-P130 HydrophobicContact CG-CG 4.34Å; F115-P130 HydrophobicContact CZ-CG 4.28Å
131S90.9Very high88.9Confident54 Ų5486.2 Ų86.238%0.37845%0.446SS..EExtended strand (participates in β ladder)trans-128.3142.7172175.20000108.3K122K122-S131 PolarHBondContact N-O 3.45Å; K122-S131 PolarHBondContact O-N 2.82Å; K122-S131 VanDerWaalsContact O-O 3.07Å
132C93.1Very high88.8Confident18 Ų1889.3 Ų89.312%0.12245%0.454CS..EExtended strand (participates in β ladder)trans-107.5130.3178.4-62.70000110.1F115 C116 E120 E141 C143F115-C132 WeakPolarHBondContact CD1-SG 3.4Å; C116-C132 WeakPolarHBondContact CA-SG 3.26Å; C116-C132 HydrophobicContact CB-CB 3.82Å; C116-C132 WeakPolarHBondContact CB-SG 3.28Å; C116-C132 WeakPolarHBondContact SG-CA 3.08Å; C116-C132 WeakPolarHBondContact SG-CB 3.28Å; C116-C132 CovalentContact SG-SG 2.03Å; C116-C132 PolarHBondContact SG-SG 3.42Å; E120-C132 WeakPolarHBondContact O-CA 3.33Å; C132-E141 PolarHBondContact SG-O 2.9Å; C132-E141 VanDerWaalsContact SG-O 3.41Å; C132-C143 VanDerWaalsContact CB-SG 3.55Å
133I91.8Very high88.8Confident91 Ų9183.3 Ų83.347%0.46743%0.427SS..EExtended strand (participates in β ladder)trans-94105.1167.2-57.6176000106.5G119 E120 K122G119-I133 CarbonylContact C-O 3.49Å; G119-I133 WeakPolarHBondContact CA-O 3.37Å; E120-I133 HydrophobicContact CB-CB 4.45Å; E120-I133 PolarHBondContact N-O 3.19Å; E120-I133 PolarHBondContact O-N 3.3Å; K122-I133 HydrophobicContact CD-CD1 3.95Å; K122-I133 HydrophobicContact CG-CD1 4.12Å
134C92.4Very high88.8Confident37 Ų3786 Ų8625%0.2544%0.442CS..EExtended strand (participates in β ladder)trans-70.8147.6-175.7-55.60000112.2Y138 C143C134-Y138 WeakPolarHBondContact CB-O 3.4Å; C134-C143 WeakPolarHBondContact CA-SG 2.98Å; C134-C143 HydrophobicContact CB-CB 3.69Å; C134-C143 WeakPolarHBondContact CB-SG 3.25Å; C134-C143 VanDerWaalsContact SG-CA 3.52Å; C134-C143 WeakPolarHBondContact SG-CB 3.37Å; C134-C143 CovalentContact SG-SG 2.03Å; C134-C143 PolarHBondContact SG-SG 3.3Å
135H90.7Very high88.5Confident90 Ų9084.4 Ų84.442%0.41744%0.435SS..PPolyproline II helixtrans-63.7156.7167.4-66.6170.3000110.8H118 G137 Y138H118-H135 PolarHBondContact O-N 2.76Å; H135-G137 PolarHBondContact O-N 3.12Å; H135-Y138 HydrophobicContact CB-CD2 4.08Å; H135-Y138 PolarHBondContact O-N 2.91Å
136P85.8Confident88.2Confident130 Ų13081.4 Ų81.484%0.84443%0.426SS*.THydrogen-bonded Turntrans-52.5131.4176.6-25.234.3000111.2Y138P136-Y138 VanDerWaalsContact C-N 3.34Å
137G80.5Confident87.5Confident33 Ų3376.8 Ų76.834%0.3441%0.411SS..THydrogen-bonded Turntrans80.29-177.100000114.8H135 L146 S147H135-G137 PolarHBondContact O-N 3.12Å; G137-L146 CarbonylContact O-C 3.46Å; G137-L146 WeakPolarHBondContact O-CA 3.41Å; G137-L146 WeakPolarHBondContact O-CD1 3.21Å; G137-S147 CarbonylContact C-O 3.51Å; G137-S147 WeakPolarHBondContact CA-O 3.21Å; G137-S147 CarbonylContact O-C 3.58Å; G137-S147 WeakPolarHBondContact O-CA 3.45Å; G137-S147 PolarHBondContact O-N 3.42Å
138Y87.8Confident86.4Confident73 Ų7376.8 Ų76.829%0.28641%0.411SS..EExtended strand (participates in β ladder)trans-116.6145.6169.3-70.5-94.1000111.4H118 C134 H135 P136 G145 L146H118-Y138 HydrophobicContact CB-CD1 3.52Å; H118-Y138 HydrophobicContact CB-CD2 3.96Å; H118-Y138 HydrophobicContact CB-CE1 3.71Å; H118-Y138 HydrophobicContact CB-CE2 4.13Å; H118-Y138 HydrophobicContact CB-CG 3.63Å; H118-Y138 AromaticContact CD2-CE1 3.66Å; H118-Y138 AromaticContact CD2-CZ 3.64Å; H118-Y138 AromaticContact CE1-CE1 3.63Å; H118-Y138 AromaticContact CG-CD1 3.58Å; H118-Y138 AromaticContact CG-CE1 3.28Å; H118-Y138 AromaticContact CG-CZ 3.66Å; H118-Y138 AromaticContact ND1-CD1 3.57Å; H118-Y138 AromaticContact ND1-CE1 3.27Å; H118-Y138 VanDerWaalsContact ND1-CE1 3.27Å; H118-Y138 WeakPolarHBondContact ND1-CE1 3.32Å; H118-Y138 AromaticContact NE2-CE1 3.87Å; C134-Y138 WeakPolarHBondContact CB-O 3.4Å; H135-Y138 HydrophobicContact CB-CD2 4.08Å; H135-Y138 PolarHBondContact O-N 2.91Å; P136-Y138 VanDerWaalsContact C-N 3.34Å; Y138-G145 CarbonylContact C-O 3.56Å; Y138-G145 WeakPolarHBondContact CA-O 3.35Å; Y138-L146 HydrophobicContact CD1-CD1 4.18Å; Y138-L146 HydrophobicContact CD2-CD1 4.25Å; Y138-L146 HydrophobicContact CE1-CD1 3.78Å; Y138-L146 HydrophobicContact CE2-CD1 3.86Å; Y138-L146 HydrophobicContact CG-CD1 4.42Å
139H86.6Confident85.1Confident96 Ų9672.2 Ų72.244%0.44441%0.407SS..EExtended strand (participates in β ladder)trans-141.7166.2-178.171-84.3000112.4C143 H144 G145 S147H139-C143 CarbonylContact O-C 3.44Å; H139-C143 WeakPolarHBondContact O-CA 3.26Å; H139-H144 PolarHBondContact O-N 2.91Å; H139-G145 PolarHBondContact N-O 2.95Å; H139-G145 PolarHBondContact ND1-O 2.95Å; H139-G145 PolarHBondContact O-N 3.42Å; H139-S147 WeakPolarHBondContact ND1-CA 3.4Å; H139-S147 WeakPolarHBondContact ND1-CB 3.36Å; H139-S147 PolarHBondContact ND1-N 2.83Å; H139-S147 VanDerWaalsContact ND1-N 3.1Å
140G88.8Confident83.5Confident37 Ų3776 Ų7638%0.38143%0.426SS..SBendtrans101167.6-179.400000113.6R142 C143G140-R142 PolarHBondContact O-N 3.4Å; G140-R142 VanDerWaalsContact O-N 3.11Å; G140-C143 PolarHBondContact O-N 3.48Å
141E87.4Confident81.6Confident168 Ų16882.1 Ų82.179%0.78545%0.452SS*.THydrogen-bonded Turntrans-58.9-28.8-174.5-62.2-180173.500113.7C132C132-E141 PolarHBondContact SG-O 2.9Å; C132-E141 VanDerWaalsContact SG-O 3.41Å
142R91.1Very high79.8Confident96 Ų9683.1 Ų83.136%0.36245%0.453SS..THydrogen-bonded Turntrans-115.38179.1-60.8-173.967.4-148.2-5.3113.4D114 F115 I117 G140 H144D114-R142 PolarHBondContact O-NH2 3.35Å; F115-R142 HydrophobicContact CD1-CG 4.39Å; F115-R142 HydrophobicContact CD2-CG 4.2Å; F115-R142 HydrophobicContact CE1-CG 3.91Å; F115-R142 HydrophobicContact CE2-CG 3.7Å; F115-R142 HydrophobicContact CZ-CG 3.54Å; F115-R142 WeakPolarHBondContact O-CB 2.98Å; F115-R142 VanDerWaalsContact O-CZ 3.29Å; F115-R142 PolarHBondContact O-NE 2.95Å; F115-R142 PolarHBondContact O-NH2 3.49Å; F115-R142 VanDerWaalsContact O-NH2 3.07Å; I117-R142 PolarHBondContact N-O 3.16Å; G140-R142 PolarHBondContact O-N 3.4Å; G140-R142 VanDerWaalsContact O-N 3.11Å; R142-H144 VanDerWaalsContact C-N 3.28Å; R142-H144 PolarHBondContact O-N 3.3Å
143C91.8Very high77.7Confident0 Ų092.1 Ų92.10%049%0.485CS..SBendtrans55.642.3-174.1-45.50000112.6H118 C132 C134 H139 G140H118-C143 HydrophobicContact CB-CB 4.31Å; H118-C143 PolarHBondContact ND1-O 2.98Å; H118-C143 VanDerWaalsContact O-CB 3.28Å; H118-C143 WeakPolarHBondContact O-CB 3.45Å; C132-C143 VanDerWaalsContact CB-SG 3.55Å; C134-C143 WeakPolarHBondContact CA-SG 2.98Å; C134-C143 HydrophobicContact CB-CB 3.69Å; C134-C143 WeakPolarHBondContact CB-SG 3.25Å; C134-C143 VanDerWaalsContact SG-CA 3.52Å; C134-C143 WeakPolarHBondContact SG-CB 3.37Å; C134-C143 CovalentContact SG-SG 2.03Å; C134-C143 PolarHBondContact SG-SG 3.3Å; H139-C143 CarbonylContact O-C 3.44Å; H139-C143 WeakPolarHBondContact O-CA 3.26Å; G140-C143 PolarHBondContact O-N 3.48Å
144H90.3Very high75.9Confident125 Ų12592.2 Ų92.258%0.57949%0.486SS*.  trans-85.2-28.8179.564.870.2000112.3I117 H139 R142I117-H144 HydrophobicContact CD1-CB 3.92Å; H139-H144 PolarHBondContact O-N 2.91Å; R142-H144 VanDerWaalsContact C-N 3.28Å; R142-H144 PolarHBondContact O-N 3.3Å
145G84.4Confident74Confident11 Ų1197.8 Ų97.811%0.11350%0.503CS..EExtended strand (participates in β ladder)trans-84.1129.7-177.300000109.5Y138 H139 S147Y138-G145 CarbonylContact C-O 3.56Å; Y138-G145 WeakPolarHBondContact CA-O 3.35Å; H139-G145 PolarHBondContact N-O 2.95Å; H139-G145 PolarHBondContact ND1-O 2.95Å; H139-G145 PolarHBondContact O-N 3.42Å; G145-S147 PolarHBondContact O-N 3.48Å
146L81.4Confident72.4Confident95 Ų9598.2 Ų98.250%0.49751%0.511SS..EExtended strand (participates in β ladder)trans-77.9111.5163.4-171.473.2000106.8G137 Y138 L148G137-L146 CarbonylContact O-C 3.46Å; G137-L146 WeakPolarHBondContact O-CA 3.41Å; G137-L146 WeakPolarHBondContact O-CD1 3.21Å; Y138-L146 HydrophobicContact CD1-CD1 4.18Å; Y138-L146 HydrophobicContact CD2-CD1 4.25Å; Y138-L146 HydrophobicContact CE1-CD1 3.78Å; Y138-L146 HydrophobicContact CE2-CD1 3.86Å; Y138-L146 HydrophobicContact CG-CD1 4.42Å; L146-L148 VanDerWaalsContact C-N 3.29Å; L146-L148 HydrophobicContact CD2-CD2 4.4Å; L146-L148 PolarHBondContact O-N 3.22Å; L146-L148 VanDerWaalsContact O-N 3.07Å
147S71.9Confident71.2Confident58 Ų5897.5 Ų97.541%0.40649%0.493SS..  trans-71.695.8161-155.90000106G137 H139 G145 P149G137-S147 CarbonylContact C-O 3.51Å; G137-S147 WeakPolarHBondContact CA-O 3.21Å; G137-S147 CarbonylContact O-C 3.58Å; G137-S147 WeakPolarHBondContact O-CA 3.45Å; G137-S147 PolarHBondContact O-N 3.42Å; H139-S147 WeakPolarHBondContact ND1-CA 3.4Å; H139-S147 WeakPolarHBondContact ND1-CB 3.36Å; H139-S147 PolarHBondContact ND1-N 2.83Å; H139-S147 VanDerWaalsContact ND1-N 3.1Å; G145-S147 PolarHBondContact O-N 3.48Å; S147-P149 VanDerWaalsContact O-N 3.13Å
148L63.5Low70.5Confident134 Ų13498.8 Ų98.870%0.70249%0.492SS*.  trans-46.2126.3168.1-73.4159.5000106.9L146 V150L146-L148 VanDerWaalsContact C-N 3.29Å; L146-L148 HydrophobicContact CD2-CD2 4.4Å; L146-L148 PolarHBondContact O-N 3.22Å; L146-L148 VanDerWaalsContact O-N 3.07Å; L148-V150 PolarHBondContact O-N 2.94Å
149P57.2Low69.9Low105 Ų10599.2 Ų99.268%0.68250%0.496SS*.  trans-63.6100.917426.9-31.1000105.3S147 E151S147-P149 VanDerWaalsContact O-N 3.13Å; P149-E151 HydrophobicContact CB-CB 4.43Å; P149-E151 PolarHBondContact O-N 3.5Å
150V54.9Low69.5Low119 Ų11998.6 Ų98.672%0.72150%0.499SS*.  trans-66.275.9134.1-1780000103L148 N152L148-V150 PolarHBondContact O-N 2.94Å; V150-N152 HydrophobicContact CG1-CB 4.25Å; V150-N152 PolarHBondContact O-N 3.16Å
151E52.2Low69Low155 Ų15598.8 Ų98.872%0.72449%0.493SS*.  trans-51.896151.1179.182.3109.900101.1P149 R153P149-E151 HydrophobicContact CB-CB 4.43Å; P149-E151 PolarHBondContact O-N 3.5Å; E151-R153 PolarHBondContact O-N 2.81Å
152N51.4Low68.8Low74 Ų7495.5 Ų95.540%0.39648%0.48SS..  trans-72.684.5-176.5-146.910.8000101.3V150 L154 Y155V150-N152 HydrophobicContact CG1-CB 4.25Å; V150-N152 PolarHBondContact O-N 3.16Å; N152-L154 CarbonylContact O-C 3.44Å; N152-L154 PolarHBondContact O-N 3.31Å; N152-L154 WeakPolarHBondContact OD1-CB 3.38Å; N152-Y155 PolarHBondContact O-N 3.21Å
153R50.8Low68.4Low207 Ų20796.7 Ų96.778%0.78149%0.493SS*.Hα-helixtrans-50-24.6166.9-99.6-162.2172.8-172.1-0.2109.1E151 Y157E151-R153 PolarHBondContact O-N 2.81Å; R153-Y157 WeakPolarHBondContact O-CB 3.39Å; R153-Y157 PolarHBondContact O-N 3.34Å
154L52.5Low68Low93 Ų9399.2 Ų99.249%0.48751%0.514SS..Hα-helixtrans-53.2-46.5164.8-75.1169.6000113.2N152 T156 Y157 D158N152-L154 CarbonylContact O-C 3.44Å; N152-L154 PolarHBondContact O-N 3.31Å; N152-L154 WeakPolarHBondContact OD1-CB 3.38Å; L154-T156 PolarHBondContact O-N 2.91Å; L154-Y157 CarbonylContact O-C 3.53Å; L154-Y157 PolarHBondContact O-N 3.35Å; L154-D158 WeakPolarHBondContact O-CA 3.37Å; L154-D158 WeakPolarHBondContact O-CB 3.29Å; L154-D158 PolarHBondContact O-N 3.45Å
155Y53Low67.8Low155 Ų15597 Ų9761%0.60851%0.509SS*.Hα-helixtrans-63.6-43.2-175.4-155.3-106.2000113.1N152 H159N152-Y155 PolarHBondContact O-N 3.21Å; Y155-H159 AromaticContact CD1-CD2 3.97Å; Y155-H159 AromaticContact CD1-NE2 3.28Å; Y155-H159 VanDerWaalsContact CD1-NE2 3.28Å; Y155-H159 WeakPolarHBondContact CD1-NE2 3.42Å; Y155-H159 AromaticContact CE1-CE1 3.7Å; Y155-H159 AromaticContact CE1-NE2 2.98Å; Y155-H159 WeakPolarHBondContact CE1-NE2 3.18Å; Y155-H159 AromaticContact CZ-CE1 3.79Å; Y155-H159 AromaticContact CZ-NE2 3.55Å; Y155-H159 PolarHBondContact O-CD2 3.44Å; Y155-H159 PolarHBondContact O-N 3.03Å; Y155-H159 VanDerWaalsContact O-N 3.16Å
156T57.3Low67.9Low98 Ų9899.9 Ų99.960%0.60152%0.524SS*.Hα-helixtrans-72.2-37.7174.6-51.90000112L154 D158 H159 T160L154-T156 PolarHBondContact O-N 2.91Å; T156-D158 VanDerWaalsContact C-N 3.35Å; T156-H159 PolarHBondContact O-N 3.26Å; T156-T160 PolarHBondContact O-N 3.03Å; T156-T160 PolarHBondContact O-OG1 3.26Å
157Y59.7Low68.2Low115 Ų11598.1 Ų98.145%0.45152%0.524SS..Hα-helixtrans-64.8-39.7175.1-179.3-100.9000111.6L26 R153 L154 H159 T160 T161L26-Y157 HydrophobicContact CD2-CE2 4.22Å; L26-Y157 WeakPolarHBondContact CD2-OH 3.36Å; R153-Y157 WeakPolarHBondContact O-CB 3.39Å; R153-Y157 PolarHBondContact O-N 3.34Å; L154-Y157 CarbonylContact O-C 3.53Å; L154-Y157 PolarHBondContact O-N 3.35Å; Y157-H159 PolarHBondContact O-N 3.41Å; Y157-T160 PolarHBondContact O-N 2.71Å; Y157-T160 PolarHBondContact O-OG1 3.43Å; Y157-T161 HydrophobicContact CD1-CG2 3.89Å; Y157-T161 HydrophobicContact CD2-CG2 4.21Å; Y157-T161 HydrophobicContact CE1-CG2 3.55Å; Y157-T161 HydrophobicContact CE2-CG2 3.88Å; Y157-T161 HydrophobicContact CG-CG2 4.21Å; Y157-T161 WeakPolarHBondContact O-CB 3.5Å; Y157-T161 VanDerWaalsContact O-CG2 3.26Å; Y157-T161 WeakPolarHBondContact O-CG2 3.25Å; Y157-T161 PolarHBondContact O-N 2.94Å; Y157-T161 PolarHBondContact O-OG1 2.93Å
158D66.8Low68.8Low60 Ų6099.4 Ų99.432%0.32153%0.529SS..Hα-helixtrans-63-44177.9-69.6-26.5000108.8L154 T156 T160 T161 I162L154-D158 WeakPolarHBondContact O-CA 3.37Å; L154-D158 WeakPolarHBondContact O-CB 3.29Å; L154-D158 PolarHBondContact O-N 3.45Å; T156-D158 VanDerWaalsContact C-N 3.35Å; D158-T160 PolarHBondContact O-N 3.28Å; D158-T161 VanDerWaalsContact CA-OG1 3.28Å; D158-T161 WeakPolarHBondContact CA-OG1 3.35Å; D158-T161 PolarHBondContact O-N 3.46Å; D158-T161 PolarHBondContact O-OG1 2.93Å; D158-T161 VanDerWaalsContact O-OG1 3.06Å; D158-I162 HydrophobicContact CB-CD1 4.19Å; D158-I162 WeakPolarHBondContact O-CA 3.43Å; D158-I162 WeakPolarHBondContact O-CB 3.11Å; D158-I162 WeakPolarHBondContact O-CD1 3.25Å; D158-I162 WeakPolarHBondContact O-CG1 3.3Å; D158-I162 PolarHBondContact O-N 3.27Å
159H75.6Confident69.8Low83 Ų8396.7 Ų96.738%0.38452%0.518SS..Hα-helixtrans-62.3-45.6175.1-64.8-43000113Y155 T156 Y157 L163Y155-H159 AromaticContact CD1-CD2 3.97Å; Y155-H159 AromaticContact CD1-NE2 3.28Å; Y155-H159 VanDerWaalsContact CD1-NE2 3.28Å; Y155-H159 WeakPolarHBondContact CD1-NE2 3.42Å; Y155-H159 AromaticContact CE1-CE1 3.7Å; Y155-H159 AromaticContact CE1-NE2 2.98Å; Y155-H159 WeakPolarHBondContact CE1-NE2 3.18Å; Y155-H159 AromaticContact CZ-CE1 3.79Å; Y155-H159 AromaticContact CZ-NE2 3.55Å; Y155-H159 PolarHBondContact O-CD2 3.44Å; Y155-H159 PolarHBondContact O-N 3.03Å; Y155-H159 VanDerWaalsContact O-N 3.16Å; T156-H159 PolarHBondContact O-N 3.26Å; Y157-H159 PolarHBondContact O-N 3.41Å; H159-L163 VanDerWaalsContact O-CB 3.3Å; H159-L163 WeakPolarHBondContact O-CB 3.28Å; H159-L163 WeakPolarHBondContact O-CD1 3.31Å; H159-L163 WeakPolarHBondContact O-CG 3.32Å; H159-L163 PolarHBondContact O-N 3.43Å
160T77.5Confident71.4Confident82 Ų8296.7 Ų96.750%0.50351%0.511SS..Hα-helixtrans-67-37.5179.257.70000112.7T156 Y157 D158 A164T156-T160 PolarHBondContact O-N 3.03Å; T156-T160 PolarHBondContact O-OG1 3.26Å; Y157-T160 PolarHBondContact O-N 2.71Å; Y157-T160 PolarHBondContact O-OG1 3.43Å; D158-T160 PolarHBondContact O-N 3.28Å; T160-A164 WeakPolarHBondContact O-CB 3.28Å; T160-A164 PolarHBondContact O-N 3.47Å
161T78.9Confident73.1Confident41 Ų4194.2 Ų94.225%0.25250%0.499SS..Hα-helixtrans-74.8-41.5178.552.80000111.8Y157 D158 L163 A164 V165Y157-T161 HydrophobicContact CD1-CG2 3.89Å; Y157-T161 HydrophobicContact CD2-CG2 4.21Å; Y157-T161 HydrophobicContact CE1-CG2 3.55Å; Y157-T161 HydrophobicContact CE2-CG2 3.88Å; Y157-T161 HydrophobicContact CG-CG2 4.21Å; Y157-T161 WeakPolarHBondContact O-CB 3.5Å; Y157-T161 VanDerWaalsContact O-CG2 3.26Å; Y157-T161 WeakPolarHBondContact O-CG2 3.25Å; Y157-T161 PolarHBondContact O-N 2.94Å; Y157-T161 PolarHBondContact O-OG1 2.93Å; D158-T161 VanDerWaalsContact CA-OG1 3.28Å; D158-T161 WeakPolarHBondContact CA-OG1 3.35Å; D158-T161 PolarHBondContact O-N 3.46Å; D158-T161 PolarHBondContact O-OG1 2.93Å; D158-T161 VanDerWaalsContact O-OG1 3.06Å; T161-L163 VanDerWaalsContact C-N 3.32Å; T161-L163 PolarHBondContact O-N 2.96Å; T161-A164 PolarHBondContact O-N 2.81Å; T161-V165 WeakPolarHBondContact O-CB 3.27Å; T161-V165 VanDerWaalsContact O-CG2 3.26Å; T161-V165 WeakPolarHBondContact O-CG2 3.46Å; T161-V165 PolarHBondContact O-N 3.31Å
162I81.6Confident74.6Confident99 Ų9989.2 Ų89.251%0.50848%0.481SS..Hα-helixtrans-58.1-46.9172.4-68.8163.1000109.5D158 A164 V165 V166D158-I162 HydrophobicContact CB-CD1 4.19Å; D158-I162 WeakPolarHBondContact O-CA 3.43Å; D158-I162 WeakPolarHBondContact O-CB 3.11Å; D158-I162 WeakPolarHBondContact O-CD1 3.25Å; D158-I162 WeakPolarHBondContact O-CG1 3.3Å; D158-I162 PolarHBondContact O-N 3.27Å; I162-A164 PolarHBondContact O-N 3.32Å; I162-V165 PolarHBondContact O-N 2.83Å; I162-V166 HydrophobicContact CG2-CG2 4.43Å; I162-V166 WeakPolarHBondContact O-CB 3.37Å; I162-V166 WeakPolarHBondContact O-CG2 3.34Å; I162-V166 PolarHBondContact O-N 3.38Å
163L84.6Confident76.2Confident121 Ų12189.3 Ų89.363%0.63448%0.484SS*.Hα-helixtrans-62.5-42.4176.9-73170000112.2H159 T161 A167H159-L163 VanDerWaalsContact O-CB 3.3Å; H159-L163 WeakPolarHBondContact O-CB 3.28Å; H159-L163 WeakPolarHBondContact O-CD1 3.31Å; H159-L163 WeakPolarHBondContact O-CG 3.32Å; H159-L163 PolarHBondContact O-N 3.43Å; T161-L163 VanDerWaalsContact C-N 3.32Å; T161-L163 PolarHBondContact O-N 2.96Å; L163-A167 WeakPolarHBondContact O-CB 3.22Å; L163-A167 PolarHBondContact O-N 2.83Å
164A82.8Confident78Confident54 Ų5482.8 Ų82.845%0.44647%0.47SS..Hα-helixtrans-63.9-45.8177.500000112T160 T161 I162 A167 V168T160-A164 WeakPolarHBondContact O-CB 3.28Å; T160-A164 PolarHBondContact O-N 3.47Å; T161-A164 PolarHBondContact O-N 2.81Å; I162-A164 PolarHBondContact O-N 3.32Å; A164-A167 PolarHBondContact O-N 3.34Å; A164-V168 WeakPolarHBondContact O-CG2 3.41Å; A164-V168 PolarHBondContact O-N 2.81Å
165V84.8Confident79.6Confident78 Ų7883.1 Ų83.147%0.47347%0.472SS..Hα-helixtrans-62.1-46.4177.8171.90000110.6T161 I162 A167 V168 V169T161-V165 WeakPolarHBondContact O-CB 3.27Å; T161-V165 VanDerWaalsContact O-CG2 3.26Å; T161-V165 WeakPolarHBondContact O-CG2 3.46Å; T161-V165 PolarHBondContact O-N 3.31Å; I162-V165 PolarHBondContact O-N 2.83Å; V165-A167 VanDerWaalsContact C-N 3.33Å; V165-A167 PolarHBondContact O-N 3.45Å; V165-V168 PolarHBondContact O-N 2.87Å; V165-V169 HydrophobicContact CG1-CG2 4.38Å; V165-V169 VanDerWaalsContact O-CG2 3.29Å; V165-V169 WeakPolarHBondContact O-CG2 3.4Å; V165-V169 PolarHBondContact O-N 3.09Å
166V87.8Confident81.1Confident72 Ų7280.2 Ų80.244%0.43647%0.466SS..Hα-helixtrans-59.8-44.5176.9170.70000110.9I162 V168 V169 L170I162-V166 HydrophobicContact CG2-CG2 4.43Å; I162-V166 WeakPolarHBondContact O-CB 3.37Å; I162-V166 WeakPolarHBondContact O-CG2 3.34Å; I162-V166 PolarHBondContact O-N 3.38Å; V166-V168 PolarHBondContact O-N 2.85Å; V166-V169 PolarHBondContact O-N 3.49Å; V166-L170 HydrophobicContact CG1-CD1 3.71Å; V166-L170 HydrophobicContact CG1-CG 4.2Å; V166-L170 WeakPolarHBondContact O-CB 3.13Å; V166-L170 VanDerWaalsContact O-CG 3.25Å; V166-L170 WeakPolarHBondContact O-CG 3.19Å; V166-L170 PolarHBondContact O-N 3.25Å
167A86.7Confident82.4Confident58 Ų5879.4 Ų79.448%0.47946%0.461SS..Hα-helixtrans-62.1-43.2178.300000112.5L163 A164 V165 S171L163-A167 WeakPolarHBondContact O-CB 3.22Å; L163-A167 PolarHBondContact O-N 2.83Å; A164-A167 PolarHBondContact O-N 3.34Å; V165-A167 VanDerWaalsContact C-N 3.33Å; V165-A167 PolarHBondContact O-N 3.45Å; A167-S171 WeakPolarHBondContact O-CB 3.37Å; A167-S171 PolarHBondContact O-N 2.86Å
168V86.3Confident83.8Confident85 Ų8578.1 Ų78.152%0.51546%0.461SS..Hα-helixtrans-63.6-46.7177.5172.20000111A164 V165 V166 S171 S172A164-V168 WeakPolarHBondContact O-CG2 3.41Å; A164-V168 PolarHBondContact O-N 2.81Å; V165-V168 PolarHBondContact O-N 2.87Å; V166-V168 PolarHBondContact O-N 2.85Å; V168-S171 PolarHBondContact O-N 3.3Å; V168-S172 WeakPolarHBondContact O-CB 3.41Å; V168-S172 PolarHBondContact O-N 2.85Å; V168-S172 PolarHBondContact O-OG 3.48Å
169V84.5Confident84.7Confident77 Ų7779.3 Ų79.347%0.46747%0.47SS..Hα-helixtrans-61.5-50.2178.7173.70000110.5V165 V166 S171 S172 V173V165-V169 HydrophobicContact CG1-CG2 4.38Å; V165-V169 VanDerWaalsContact O-CG2 3.29Å; V165-V169 WeakPolarHBondContact O-CG2 3.4Å; V165-V169 PolarHBondContact O-N 3.09Å; V166-V169 PolarHBondContact O-N 3.49Å; V169-S171 PolarHBondContact O-N 2.91Å; V169-S172 PolarHBondContact O-N 3.34Å; V169-S172 PolarHBondContact O-OG 3.24Å; V169-V173 WeakPolarHBondContact O-CG2 3.42Å; V169-V173 PolarHBondContact O-N 3.11Å
170L89.4Confident85.1Confident105 Ų10577.2 Ų77.255%0.5547%0.471SS..Hα-helixtrans-61.7-42.8179.4-70.1177.4000112.3V166 V173 C174V166-L170 HydrophobicContact CG1-CD1 3.71Å; V166-L170 HydrophobicContact CG1-CG 4.2Å; V166-L170 WeakPolarHBondContact O-CB 3.13Å; V166-L170 VanDerWaalsContact O-CG 3.25Å; V166-L170 WeakPolarHBondContact O-CG 3.19Å; V166-L170 PolarHBondContact O-N 3.25Å; L170-V173 PolarHBondContact O-N 2.76Å; L170-C174 WeakPolarHBondContact O-CB 3.34Å; L170-C174 PolarHBondContact O-N 3.35Å; L170-C174 PolarHBondContact O-SG 2.9Å
171S90.4Very high85.6Confident66 Ų6677.7 Ų77.746%0.46247%0.47SS..Hα-helixtrans-60.2-46.9176.4-1770000111.2A167 V168 V169 V173 C174 L175A167-S171 WeakPolarHBondContact O-CB 3.37Å; A167-S171 PolarHBondContact O-N 2.86Å; V168-S171 PolarHBondContact O-N 3.3Å; V169-S171 PolarHBondContact O-N 2.91Å; S171-V173 PolarHBondContact O-N 3.31Å; S171-C174 PolarHBondContact O-N 2.75Å; S171-L175 WeakPolarHBondContact O-CG 3.29Å; S171-L175 PolarHBondContact O-N 3.49Å
172S84.7Confident86Confident51 Ų5180.9 Ų80.936%0.35749%0.485SS..Hα-helixtrans-60.2-45.6178.875.50000112.5V168 V169 L175 L176V168-S172 WeakPolarHBondContact O-CB 3.41Å; V168-S172 PolarHBondContact O-N 2.85Å; V168-S172 PolarHBondContact O-OG 3.48Å; V169-S172 PolarHBondContact O-N 3.34Å; V169-S172 PolarHBondContact O-OG 3.24Å; S172-L175 PolarHBondContact O-N 2.8Å; S172-L176 WeakPolarHBondContact O-CG 3.42Å; S172-L176 PolarHBondContact O-N 2.78Å; S172-L176 VanDerWaalsContact O-N 3.09Å
173V85.1Confident86Confident76 Ų7681.7 Ų81.746%0.46149%0.488SS..Hα-helixtrans-64.3-43.7178.1174.20000110.5V169 L170 S171 L175 L176 V177V169-V173 WeakPolarHBondContact O-CG2 3.42Å; V169-V173 PolarHBondContact O-N 3.11Å; L170-V173 PolarHBondContact O-N 2.76Å; S171-V173 PolarHBondContact O-N 3.31Å; V173-L175 PolarHBondContact O-N 3.35Å; V173-L176 PolarHBondContact O-N 2.91Å; V173-V177 WeakPolarHBondContact O-CG2 3.42Å; V173-V177 PolarHBondContact O-N 2.87Å
174C87.9Confident86Confident70 Ų7081 Ų8147%0.47348%0.48SS..Hα-helixtrans-60.3-44.1177.5-710000111.8L170 S171 L176 V177 I178L170-C174 WeakPolarHBondContact O-CB 3.34Å; L170-C174 PolarHBondContact O-N 3.35Å; L170-C174 PolarHBondContact O-SG 2.9Å; S171-C174 PolarHBondContact O-N 2.75Å; C174-L176 PolarHBondContact O-N 3.33Å; C174-V177 PolarHBondContact O-N 2.84Å; C174-I178 WeakPolarHBondContact O-CD1 3.19Å; C174-I178 VanDerWaalsContact O-CG1 3.25Å; C174-I178 WeakPolarHBondContact O-CG1 3.31Å; C174-I178 PolarHBondContact O-N 3.5Å
175L85.6Confident86Confident100 Ų10086 Ų8652%0.52449%0.487SS..Hα-helixtrans-62.8-40.6177.4-70.3176.7000112S171 S172 V173 V177 I178 V179S171-L175 WeakPolarHBondContact O-CG 3.29Å; S171-L175 PolarHBondContact O-N 3.49Å; S172-L175 PolarHBondContact O-N 2.8Å; V173-L175 PolarHBondContact O-N 3.35Å; L175-V177 VanDerWaalsContact C-N 3.35Å; L175-V177 PolarHBondContact O-N 3.46Å; L175-I178 PolarHBondContact O-N 3.25Å; L175-V179 WeakPolarHBondContact O-CB 3.3Å; L175-V179 VanDerWaalsContact O-CG2 3.28Å; L175-V179 WeakPolarHBondContact O-CG2 3.13Å; L175-V179 PolarHBondContact O-N 2.86Å
176L84.3Confident85.8Confident93 Ų9390.6 Ų90.649%0.48750%0.497SS..Hα-helixtrans-62.9-41.4175.7-67.3177.1000112.2L9 S172 V173 C174 G180L9-L176 HydrophobicContact CD1-CD1 4.11Å; L9-L176 HydrophobicContact CD1-CD2 3.58Å; L9-L176 HydrophobicContact CD1-CG 4.5Å; S172-L176 WeakPolarHBondContact O-CG 3.42Å; S172-L176 PolarHBondContact O-N 2.78Å; S172-L176 VanDerWaalsContact O-N 3.09Å; V173-L176 PolarHBondContact O-N 2.91Å; C174-L176 PolarHBondContact O-N 3.33Å; L176-G180 PolarHBondContact O-N 2.83Å
177V86.2Confident85.2Confident82 Ų8294.1 Ų94.150%0.49751%0.509SS..Hα-helixtrans-64.2-46.3175.81740000110.6V173 C174 L175 G180 L181V173-V177 WeakPolarHBondContact O-CG2 3.42Å; V173-V177 PolarHBondContact O-N 2.87Å; C174-V177 PolarHBondContact O-N 2.84Å; L175-V177 VanDerWaalsContact C-N 3.35Å; L175-V177 PolarHBondContact O-N 3.46Å; V177-G180 PolarHBondContact O-N 2.86Å; V177-L181 HydrophobicContact CG1-CD1 3.99Å; V177-L181 HydrophobicContact CG1-CG 4.37Å; V177-L181 WeakPolarHBondContact O-CB 3.32Å; V177-L181 VanDerWaalsContact O-CG 3.25Å; V177-L181 WeakPolarHBondContact O-CG 3.19Å; V177-L181 PolarHBondContact O-N 2.88Å
178I88.8Confident84.5Confident88 Ų8899.2 Ų99.245%0.45152%0.515SS..Hα-helixtrans-62.4-48.8179.3-66.5162.9000110.7C174 L175 G180 L181 L182C174-I178 WeakPolarHBondContact O-CD1 3.19Å; C174-I178 VanDerWaalsContact O-CG1 3.25Å; C174-I178 WeakPolarHBondContact O-CG1 3.31Å; C174-I178 PolarHBondContact O-N 3.5Å; L175-I178 PolarHBondContact O-N 3.25Å; I178-G180 VanDerWaalsContact C-N 3.33Å; I178-G180 PolarHBondContact O-N 2.81Å; I178-L181 PolarHBondContact O-N 2.86Å; I178-L182 HydrophobicContact CG2-CD1 3.95Å; I178-L182 HydrophobicContact CG2-CG 4.31Å; I178-L182 WeakPolarHBondContact O-CB 3.25Å; I178-L182 VanDerWaalsContact O-CG 3.28Å; I178-L182 WeakPolarHBondContact O-CG 3.48Å; I178-L182 PolarHBondContact O-N 2.74Å
179V85Confident83.5Confident84 Ų84104.4 Ų104.451%0.50953%0.526SS..Hα-helixtrans-62.2-42.4177.8172.20000110.9L175 L181 L182 M183L175-V179 WeakPolarHBondContact O-CB 3.3Å; L175-V179 VanDerWaalsContact O-CG2 3.28Å; L175-V179 WeakPolarHBondContact O-CG2 3.13Å; L175-V179 PolarHBondContact O-N 2.86Å; V179-L181 PolarHBondContact O-N 3.32Å; V179-L182 PolarHBondContact O-N 3.44Å; V179-M183 HydrophobicContact CG1-CG 4.27Å; V179-M183 VanDerWaalsContact O-CB 3.31Å; V179-M183 WeakPolarHBondContact O-CB 3.19Å; V179-M183 WeakPolarHBondContact O-CG 3.42Å; V179-M183 PolarHBondContact O-N 3.46Å
180G84.7Confident82.4Confident39 Ų39102.2 Ų102.240%0.40252%0.519SS..Hα-helixtrans-59.7-44.5175.100000112.4L176 V177 I178 F184L176-G180 PolarHBondContact O-N 2.83Å; V177-G180 PolarHBondContact O-N 2.86Å; I178-G180 VanDerWaalsContact C-N 3.33Å; I178-G180 PolarHBondContact O-N 2.81Å; G180-F184 WeakPolarHBondContact O-CB 3.25Å; G180-F184 PolarHBondContact O-N 3.47Å
181L87.8Confident81Confident92 Ų9299.1 Ų99.148%0.48251%0.512SS..Hα-helixtrans-65.3-42.8175.5-71.9174.3000111.9V177 I178 V179 F184 R185V177-L181 HydrophobicContact CG1-CD1 3.99Å; V177-L181 HydrophobicContact CG1-CG 4.37Å; V177-L181 WeakPolarHBondContact O-CB 3.32Å; V177-L181 VanDerWaalsContact O-CG 3.25Å; V177-L181 WeakPolarHBondContact O-CG 3.19Å; V177-L181 PolarHBondContact O-N 2.88Å; I178-L181 PolarHBondContact O-N 2.86Å; V179-L181 PolarHBondContact O-N 3.32Å; L181-F184 PolarHBondContact O-N 2.95Å; L181-R185 VanDerWaalsContact O-CB 3.3Å; L181-R185 WeakPolarHBondContact O-CB 3.16Å; L181-R185 WeakPolarHBondContact O-CG 3.42Å; L181-R185 PolarHBondContact O-N 3.5Å
182L86.8Confident79.3Confident108 Ų108104.7 Ų104.757%0.56553%0.525SS*.Hα-helixtrans-64.6-45177.2-70.9176.1000111.3I178 V179 R185 Y186I178-L182 HydrophobicContact CG2-CD1 3.95Å; I178-L182 HydrophobicContact CG2-CG 4.31Å; I178-L182 WeakPolarHBondContact O-CB 3.25Å; I178-L182 VanDerWaalsContact O-CG 3.28Å; I178-L182 WeakPolarHBondContact O-CG 3.48Å; I178-L182 PolarHBondContact O-N 2.74Å; V179-L182 PolarHBondContact O-N 3.44Å; L182-R185 PolarHBondContact O-N 2.76Å; L182-Y186 VanDerWaalsContact O-CB 3.27Å; L182-Y186 WeakPolarHBondContact O-CB 3.28Å; L182-Y186 PolarHBondContact O-N 2.74Å
183M82Confident78Confident116 Ų116107.1 Ų107.157%0.57153%0.534SS*.Hα-helixtrans-62.7-41.6174.2-76-68.6101.200112V179 Y186 H187V179-M183 HydrophobicContact CG1-CG 4.27Å; V179-M183 VanDerWaalsContact O-CB 3.31Å; V179-M183 WeakPolarHBondContact O-CB 3.19Å; V179-M183 WeakPolarHBondContact O-CG 3.42Å; V179-M183 PolarHBondContact O-N 3.46Å; M183-Y186 PolarHBondContact O-N 2.68Å; M183-H187 VanDerWaalsContact O-CB 3.29Å; M183-H187 WeakPolarHBondContact O-CB 3.2Å; M183-H187 PolarHBondContact O-N 2.91Å
184F84.3Confident76.9Confident108 Ų108107.1 Ų107.147%0.47453%0.533SS..Hα-helixtrans-65-41.6175.8-177.8-101.4000111.9G180 L181 H187 R188G180-F184 WeakPolarHBondContact O-CB 3.25Å; G180-F184 PolarHBondContact O-N 3.47Å; L181-F184 PolarHBondContact O-N 2.95Å; F184-H187 PolarHBondContact O-N 3.09Å; F184-R188 HydrophobicContact CE1-CG 4.35Å; F184-R188 HydrophobicContact CZ-CG 4.29Å; F184-R188 WeakPolarHBondContact O-CB 3.26Å; F184-R188 PolarHBondContact O-N 3.4Å
185R83.8Confident75.6Confident157 Ų157108.7 Ų108.759%0.59253%0.534SS*.Hα-helixtrans-66.8-38.4175.1-70.3-75.2167.490.20.3111.5L181 L182 R189L181-R185 VanDerWaalsContact O-CB 3.3Å; L181-R185 WeakPolarHBondContact O-CB 3.16Å; L181-R185 WeakPolarHBondContact O-CG 3.42Å; L181-R185 PolarHBondContact O-N 3.5Å; L182-R185 PolarHBondContact O-N 2.76Å; R185-R189 WeakPolarHBondContact O-CB 3.15Å; R185-R189 PolarHBondContact O-N 3.41Å
186Y79.7Confident74.4Confident175 Ų175108.8 Ų108.869%0.68654%0.535SS*.Hα-helixtrans-68.9-42.1176.5-161.4-92.8000111.4L182 M183 R189 G190L182-Y186 VanDerWaalsContact O-CB 3.27Å; L182-Y186 WeakPolarHBondContact O-CB 3.28Å; L182-Y186 PolarHBondContact O-N 2.74Å; M183-Y186 PolarHBondContact O-N 2.68Å; Y186-R189 PolarHBondContact O-N 3.32Å; Y186-G190 PolarHBondContact O-N 3.13Å
187H75.2Confident73.4Confident146 Ų146109.3 Ų109.368%0.67654%0.535SS*.Hα-helixtrans-68.1-35.9176.2-166-63.3000112M183 F184 G191M183-H187 VanDerWaalsContact O-CB 3.29Å; M183-H187 WeakPolarHBondContact O-CB 3.2Å; M183-H187 PolarHBondContact O-N 2.91Å; F184-H187 PolarHBondContact O-N 3.09Å; H187-G191 PolarHBondContact O-N 3.05Å
188R71.8Confident72.3Confident165 Ų165111.1 Ų111.162%0.62354%0.538SS*.Hα-helixtrans-71.5-36.4172.2-83.6-161168.4-165.3-0.8112.7F184 Y192F184-R188 HydrophobicContact CE1-CG 4.35Å; F184-R188 HydrophobicContact CZ-CG 4.29Å; F184-R188 WeakPolarHBondContact O-CB 3.26Å; F184-R188 PolarHBondContact O-N 3.4Å; R188-Y192 WeakPolarHBondContact O-CD2 3.37Å
189R66.5Low70.8Confident195 Ų195113 Ų11374%0.73654%0.542SS*.Hα-helixtrans-74.4-42.5176.2-84.3179.6175.4162.8-3112.8R185 Y186 G191 Y192 D193R185-R189 WeakPolarHBondContact O-CB 3.15Å; R185-R189 PolarHBondContact O-N 3.41Å; Y186-R189 PolarHBondContact O-N 3.32Å; R189-G191 VanDerWaalsContact C-N 3.27Å; R189-G191 PolarHBondContact O-N 2.97Å; R189-Y192 PolarHBondContact O-N 3.29Å; R189-D193 PolarHBondContact O-N 2.86Å
190G60.2Low69.7Low31 Ų31112.7 Ų112.732%0.3254%0.541SS..Hα-helixtrans-65.6-27.5178.300000113.5Y186 V194Y186-G190 PolarHBondContact O-N 3.13Å; G190-V194 WeakPolarHBondContact O-CB 3.46Å; G190-V194 VanDerWaalsContact O-CG2 3.26Å; G190-V194 WeakPolarHBondContact O-CG2 3.26Å; G190-V194 PolarHBondContact O-N 3.17Å
191G59.7Low68.6Low40 Ų40117.6 Ų117.641%0.41255%0.551SS.*Hα-helixtrans-68.9-36.8169.300000113.1H187 R189 E195H187-G191 PolarHBondContact O-N 3.05Å; R189-G191 VanDerWaalsContact C-N 3.27Å; R189-G191 PolarHBondContact O-N 2.97Å; G191-E195 WeakPolarHBondContact O-CB 3.37Å; G191-E195 PolarHBondContact O-N 3.26Å; G191-E195 VanDerWaalsContact O-N 3.13Å
192Y55.4Low67.4Low183 Ų183119 Ų11972%0.71856%0.559SS**Hα-helixtrans-77.2-35.1177.2-85.8-108.4000112.6R188 R189 N196R188-Y192 WeakPolarHBondContact O-CD2 3.37Å; R189-Y192 PolarHBondContact O-N 3.29Å; Y192-N196 WeakPolarHBondContact O-CB 3.4Å; Y192-N196 PolarHBondContact O-N 2.84Å
193D57.3Low66Low102 Ų102116.2 Ų116.255%0.54556%0.555SS.*Hα-helixtrans-69.6-47.4179.5-151.5-110.6000110.7R189 N196 E197R189-D193 PolarHBondContact O-N 2.86Å; D193-N196 PolarHBondContact O-N 2.96Å; D193-E197 WeakPolarHBondContact O-CB 3.23Å; D193-E197 WeakPolarHBondContact O-CG 3.47Å; D193-E197 PolarHBondContact O-N 2.93Å
194V61.3Low64.9Low75 Ų75117.7 Ų117.746%0.45556%0.563SS.*Hα-helixtrans-62.7-44.9174171.30000111.4G190 N196 E197 E198G190-V194 WeakPolarHBondContact O-CB 3.46Å; G190-V194 VanDerWaalsContact O-CG2 3.26Å; G190-V194 WeakPolarHBondContact O-CG2 3.26Å; G190-V194 PolarHBondContact O-N 3.17Å; V194-N196 VanDerWaalsContact C-N 3.31Å; V194-N196 PolarHBondContact O-N 3.39Å; V194-E197 PolarHBondContact O-N 3.33Å; V194-E198 HydrophobicContact CG1-CG 4.37Å; V194-E198 WeakPolarHBondContact O-CB 3.21Å; V194-E198 WeakPolarHBondContact O-CG 3.32Å; V194-E198 PolarHBondContact O-N 3.27Å
195E61.8Low63.7Low103 Ų103118 Ų11848%0.48157%0.573SS.*Hα-helixtrans-68.2-31.6-179.9-166.1176.8106.700112.1G191 K199G191-E195 WeakPolarHBondContact O-CB 3.37Å; G191-E195 PolarHBondContact O-N 3.26Å; G191-E195 VanDerWaalsContact O-N 3.13Å; E195-K199 HydrophobicContact CG-CD 4.19Å; E195-K199 VanDerWaalsContact O-CB 3.26Å; E195-K199 WeakPolarHBondContact O-CB 3.4Å; E195-K199 WeakPolarHBondContact O-CD 3.34Å; E195-K199 WeakPolarHBondContact O-CG 3.12Å; E195-K199 PolarHBondContact O-N 3.44Å; E195-K199 IonicContact OE1-NZ 2.68Å; E195-K199 PolarHBondContact OE1-NZ 2.82Å
196N59.9Low62.6Low102 Ų102117.1 Ų117.155%0.54558%0.581SS.*Hα-helixtrans-72.8-40.7172.8-168.355.4000111.6Y192 D193 V194 K199 V200Y192-N196 WeakPolarHBondContact O-CB 3.4Å; Y192-N196 PolarHBondContact O-N 2.84Å; D193-N196 PolarHBondContact O-N 2.96Å; V194-N196 VanDerWaalsContact C-N 3.31Å; V194-N196 PolarHBondContact O-N 3.39Å; N196-K199 PolarHBondContact O-N 3.02Å; N196-V200 WeakPolarHBondContact O-CB 3.43Å; N196-V200 WeakPolarHBondContact O-CG2 3.41Å; N196-V200 PolarHBondContact O-N 2.82Å
197E62.9Low61.7Low105 Ų105113.5 Ų113.549%0.49158%0.581SS.*Hα-helixtrans-62.9-39.6173.5-75.5-165.4120.300112.2D193 V194 K201D193-E197 WeakPolarHBondContact O-CB 3.23Å; D193-E197 WeakPolarHBondContact O-CG 3.47Å; D193-E197 PolarHBondContact O-N 2.93Å; V194-E197 PolarHBondContact O-N 3.33Å; E197-K201 WeakPolarHBondContact O-CG 3.27Å; E197-K201 PolarHBondContact O-N 3.49Å
198E62.7Low60.5Low120 Ų120118.6 Ų118.656%0.56160%0.604SS**Hα-helixtrans-69-42.4175.4-72.3-173140.200111.9V194 K201 L202V194-E198 HydrophobicContact CG1-CG 4.37Å; V194-E198 WeakPolarHBondContact O-CB 3.21Å; V194-E198 WeakPolarHBondContact O-CG 3.32Å; V194-E198 PolarHBondContact O-N 3.27Å; E198-K201 PolarHBondContact O-N 3.37Å; E198-L202 PolarHBondContact O-N 3.42Å; E198-L202 VanDerWaalsContact O-N 3.12Å
199K59.2Low60Low126 Ų126116.3 Ų116.355%0.54860%0.603SS.*Hα-helixtrans-66-36.4176.4-77.8170.81771660113E195 N196 G203E195-K199 HydrophobicContact CG-CD 4.19Å; E195-K199 VanDerWaalsContact O-CB 3.26Å; E195-K199 WeakPolarHBondContact O-CB 3.4Å; E195-K199 WeakPolarHBondContact O-CD 3.34Å; E195-K199 WeakPolarHBondContact O-CG 3.12Å; E195-K199 PolarHBondContact O-N 3.44Å; E195-K199 IonicContact OE1-NZ 2.68Å; E195-K199 PolarHBondContact OE1-NZ 2.82Å; N196-K199 PolarHBondContact O-N 3.02Å; K199-G203 PolarHBondContact O-N 2.92Å; K199-G203 VanDerWaalsContact O-N 3.09Å
200V61.3Low59.6Low78 Ų78112.1 Ų112.147%0.47360%0.596SS.*Hα-helixtrans-66.6-39.7175.3171.50000111.2N196 G203 M204N196-V200 WeakPolarHBondContact O-CB 3.43Å; N196-V200 WeakPolarHBondContact O-CG2 3.41Å; N196-V200 PolarHBondContact O-N 2.82Å; V200-G203 PolarHBondContact O-N 3.12Å; V200-M204 HydrophobicContact CG1-SD 4.38Å; V200-M204 PolarHBondContact O-N 3.35Å
201K62.3Low59.6Low142 Ų142116.6 Ų116.662%0.61761%0.612SS**Hα-helixtrans-66.4-39177.2-76.7173-179.2166.80113E197 E198 M204E197-K201 WeakPolarHBondContact O-CG 3.27Å; E197-K201 PolarHBondContact O-N 3.49Å; E198-K201 PolarHBondContact O-N 3.37Å; K201-M204 PolarHBondContact O-N 3.2Å
202L60.8Low59.6Low123 Ų123121.1 Ų121.164%0.64462%0.624SS**Hα-helixtrans-73.6-26.6177.1-81.7153.4000113.6E198 T205E198-L202 PolarHBondContact O-N 3.42Å; E198-L202 VanDerWaalsContact O-N 3.12Å; L202-T205 PolarHBondContact O-OG1 3.46Å
203G58.8Low59.8Low48 Ų48117.3 Ų117.350%0.49562%0.618SS.*Hα-helixtrans-70.7-30.1173.600000113.6K199 V200K199-G203 PolarHBondContact O-N 2.92Å; K199-G203 VanDerWaalsContact O-N 3.09Å; V200-G203 PolarHBondContact O-N 3.12Å
204M58.8Low60Low148 Ų148118.3 Ų118.373%0.72962%0.622SS**Hα-helixtrans-79.7-25.1-179.6-77.9168.158.300114V200 K201V200-M204 HydrophobicContact CG1-SD 4.38Å; V200-M204 PolarHBondContact O-N 3.35Å; K201-M204 PolarHBondContact O-N 3.2Å
205T58.5Low59.9Low113 Ų113121.4 Ų121.469%0.69363%0.634SS**SBendtrans-91.2-6.7-175.556.60000114.5L202L202-T205 PolarHBondContact O-OG1 3.46Å
206N61.7Low59.8Low140 Ų140122.8 Ų122.875%0.74965%0.646SS**SBendtrans-102.419.9-176.7-153.73.6000113.4
207S60.1Low59.8Low98 Ų98124.5 Ų124.569%0.68566%0.655SS**  trans-124.758-176.9-55.80000111.6
208H50.2Low59.5Low253 Ų253126.3 Ų126.3100%1.17167%0.67SS**  trans-166.20164.6-155.8-71.9000110.4

Retrieved 208 of 208 residues in 33.4 ms (Link to these results)