A0A5K4FBQ1_SCHMA Loading...

Ribosomal protein S6 kinase

AlphaFold DB , UniProt , Accession A0A5K4FBQ1, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 806 aa.

						>A0A5K4FBQ1_SCHMA|A0A5K4FBQ1
MPLAHLGQPFLKASDVTNELKCISIDDAPDVGCQKVDVAEVEVNIENLAHNTEKVDPSCFDLLYVIGQGSFGKVFLVRKNNGKDKGTLYAMKVLKKAVLKVRDRLRTKLERDILTRIKHPYIVDLHYAFQTEGKVYLILEFLRGGDLFSRLSKEYMFTEDDVKFYLAEIALALNYLHSHGIVYRDLKPENVLLNEDGHVRLTDFGLSKESIFESAGDRTYSFCGTVEYMAPEVVSRHGHGTAADWWSFGVLMYELLTGMLPFHSESRKDTMQMILKAKLSMPQFLSPSAQSLLRALFKRTPSNRLGYGPDGFEHLKNHEFFNTINWDDLLNGCIQPPFKPPCSSINDILNFDSEYTSRTPHDSPCPPASASAHALFREFSYVAPGFFAEHNNNNHNTTTTNSCNNHVNLNKEVLNGTNTTCLSSPKEKFNYNSRHDDDRANPAHVPEDLPPLTPTVARRFLRLAGLSGVKYKPFSVDYVLLEEINKGSFSVVHKCCHRNTNAVCCVKIIDKSKRDAREEVEILLRHHNHPNIVSVRDVYENENLVYLVMEYLKGGELLDKIFREKFLSEREASNITYVIANTLSYLHSNMVVHRDLKPSNVLYADDSGDISSLRICDFGFAKQLRAENGLLMTPCYTANFVAPEVLKMQGYHAACDVWSLGVIMYTMLFGQTPFAIKPNESSEVVLSRIESGRLDLINKNWNKISDLAKDLLTKMLNPEPSKRCTASAILSHPWIKNRDQLSPELLTDVLLNDVSQTKNSVEATFRALNSTSKIPILEPVECSTLAQRRVRAKSILTNQIKVEERH
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	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
1	M	28.4	Very low	27.5	Very low	91 Å²	91	129.1 Å²	129.1	45%	0.448	72%	0.718	S	S	.	*				0	104	0	-81.9	177.9	169.6	0	0	111.5	Q68 G69 N190 D203	M1-Q68 PolarHBondContact N-O 3.41Å; M1-G69 WeakPolarHBondContact O-CA 3.38Å; M1-N190 WeakPolarHBondContact CE-OD1 3.49Å; M1-D203 HydrophobicContact CE-CB 3.96Å; M1-D203 WeakPolarHBondContact CE-OD2 3.44Å
2	P	26	Very low	27.4	Very low	128 Å²	128	135.9 Å²	135.9	83%	0.831	74%	0.735	S	S	*	*			trans	-93.9	100.1	166.2	32.5	-24.3	0	0	0	111	A4	P2-A4 PolarHBondContact O-N 3.08Å
3	L	28.3	Very low	27.6	Very low	100 Å²	100	133.2 Å²	133.2	52%	0.524	74%	0.742	S	S	.	*			trans	-77.4	106.8	161.7	-80.6	169.8	0	0	0	108.4	F71	L3-F71 HydrophobicContact CD1-CE2 4.22Å
4	A	26.4	Very low	27.8	Very low	62 Å²	62	131 Å²	131	51%	0.512	74%	0.74	S	S	.	*			trans	-61.9	142.5	-176.7	0	0	0	0	0	112.9	P2	P2-A4 PolarHBondContact O-N 3.08Å
5	H	25.3	Very low	27.7	Very low	164 Å²	164	132 Å²	132	76%	0.759	74%	0.743	S	S	*	*			trans	-60.3	135.1	-174.8	-94.2	-93.2	0	0	0	114	G7	H5-G7 PolarHBondContact O-N 3.43Å
6	L	25.9	Very low	28	Very low	166 Å²	166	133.1 Å²	133.1	87%	0.869	75%	0.753	S	S	*	*			trans	-77	92.7	160.8	-94.1	156	0	0	0	109.5
7	G	27.4	Very low	27.9	Very low	67 Å²	67	132.2 Å²	132.2	69%	0.691	75%	0.752	S	S	*	*			trans	-113.5	126.3	164.3	0	0	0	0	0	110.2	H5	H5-G7 PolarHBondContact O-N 3.43Å
8	Q	27.2	Very low	28.1	Very low	168 Å²	168	132.4 Å²	132.4	79%	0.785	75%	0.75	S	S	*	*			trans	-82	128.5	172.7	-69	171.5	-55.8	0	0	109.7	F10	Q8-F10 PolarHBondContact O-N 3.22Å
9	P	30	Very low	28.1	Very low	122 Å²	122	134.2 Å²	134.2	79%	0.792	75%	0.752	S	S	*	*			trans	-78.9	107.7	162.8	30.5	-28.6	0	0	0	108.8	L11	P9-L11 PolarHBondContact O-N 3.43Å
10	F	27.3	Very low	28.2	Very low	182 Å²	182	136.5 Å²	136.5	80%	0.798	76%	0.761	S	S	*	*			trans	-67.9	123.5	162.7	-85.3	-96.4	0	0	0	109	Q8	Q8-F10 PolarHBondContact O-N 3.22Å
11	L	30.1	Very low	28.2	Very low	170 Å²	170	139.1 Å²	139.1	89%	0.89	76%	0.764	S	S	*	*			trans	-118.1	122	153.6	-86.5	167.9	0	0	0	107.6	P9	P9-L11 PolarHBondContact O-N 3.43Å
12	K	26.8	Very low	28	Very low	211 Å²	211	140.4 Å²	140.4	92%	0.917	78%	0.781	S	S	*	*			trans	-72.8	124.5	174.6	-69.4	177.4	175.3	179.8	0	108.9
13	A	30.1	Very low	28.1	Very low	101 Å²	101	141.3 Å²	141.3	84%	0.835	78%	0.777	S	S	*	*			trans	-137	138.5	152.9	0	0	0	0	0	106.9
14	S	29.7	Very low	27.9	Very low	102 Å²	102	141.6 Å²	141.6	71%	0.713	79%	0.788	S	S	*	*			trans	-83.9	160.8	-168.6	48.5	0	0	0	0	113.3
15	D	27.4	Very low	28.2	Very low	146 Å²	146	146 Å²	146	78%	0.781	80%	0.802	S	S	*	*			trans	55.4	81.3	152.5	-48.4	-30.1	0	0	0	119.3
16	V	31.7	Very low	28.3	Very low	149 Å²	149	145.1 Å²	145.1	90%	0.903	80%	0.802	S	S	*	*				-141.7	118.6	129.9	-173	0	0	0	0	109.5
17	T	26.5	Very low	28.4	Very low	119 Å²	119	144.8 Å²	144.8	73%	0.73	80%	0.801	S	S	*	*			trans	-86.2	126.4	169.6	47.6	0	0	0	0	110.9
18	N	30.9	Very low	28.6	Very low	135 Å²	135	146.1 Å²	146.1	72%	0.722	81%	0.806	S	S	*	*				175.5	142.7	129.8	-91.1	-6.3	0	0	0	112.6
19	E	28.9	Very low	28.7	Very low	167 Å²	167	143.8 Å²	143.8	78%	0.78	81%	0.805	S	S	*	*			trans	48.1	115.8	145.9	-57	177.9	163.2	0	0	117.9
20	L	30.2	Very low	28.7	Very low	180 Å²	180	145 Å²	145	94%	0.942	81%	0.805	S	S	*	*				-149.4	159.2	59	-85.4	122.9	0	0	0	114.2
21	K	28	Very low	29	Very low	191 Å²	191	143.3 Å²	143.3	83%	0.83	81%	0.809	S	S	*	*			trans	-97.4	143.2	-172.2	-74.3	171.2	172.7	171.2	0	114.1
22	C	23.9	Very low	29.1	Very low	118 Å²	118	138.4 Å²	138.4	80%	0.797	80%	0.8	S	S	*	*			trans	60.3	177.9	139.5	-58.1	0	0	0	0	116.3
23	I	27.4	Very low	29.2	Very low	147 Å²	147	134.7 Å²	134.7	75%	0.754	80%	0.799	S	S	*	*			cis	-144.4	146.4	25.7	-69.3	169.9	0	0	0	111.3	I25	I23-I25 HydrophobicContact CG2-CG1 4.28Å
24	S	25	Very low	29.4	Very low	107 Å²	107	138.9 Å²	138.9	75%	0.748	80%	0.801	S	S	*	*			trans	-89.5	142.5	163.7	46.9	0	0	0	0	110.6
25	I	31.8	Very low	29.3	Very low	155 Å²	155	142.1 Å²	142.1	80%	0.795	80%	0.803	S	S	*	*			trans	-121.3	107.3	178	-56.5	177.2	0	0	0	109.4	I23	I23-I25 HydrophobicContact CG2-CG1 4.28Å
26	D	29.1	Very low	29.5	Very low	144 Å²	144	141.9 Å²	141.9	77%	0.77	81%	0.806	S	S	*	*			trans	-110	141	156.4	-69.5	-50.8	0	0	0	107.5
27	D	28.2	Very low	29.4	Very low	159 Å²	159	141 Å²	141	85%	0.85	80%	0.796	S	S	*	*			trans	56.4	146.9	156.9	-66.3	-32.6	0	0	0	124.8
28	A	29.8	Very low	29.6	Very low	95 Å²	95	141.5 Å²	141.5	79%	0.785	80%	0.799	S	S	*	*			trans	90.2	154.7	156.3	0	0	0	0	0	118.3
29	P	31	Very low	29.5	Very low	120 Å²	120	139.7 Å²	139.7	78%	0.779	80%	0.802	S	S	*	*				-136.2	165.8	-92.1	32.7	-11.9	0	0	0	117.2
30	D	28.1	Very low	29.5	Very low	147 Å²	147	140.6 Å²	140.6	79%	0.786	81%	0.807	S	S	*	*			trans	18.2	114.9	152.9	-161.6	16.9	0	0	0	121.3
31	V	34.9	Very low	29.5	Very low	146 Å²	146	138 Å²	138	89%	0.885	80%	0.798	S	S	*	*			trans	-142.3	115.6	145.8	-177.1	0	0	0	0	108.2
32	G	32	Very low	29.5	Very low	67 Å²	67	138.1 Å²	138.1	69%	0.691	80%	0.801	S	S	*	*			trans	-84.6	168	-167.5	0	0	0	0	0	117.6
33	C	29.4	Very low	29.8	Very low	133 Å²	133	137 Å²	137	90%	0.899	79%	0.791	S	S	*	*			trans	-139.5	164.3	158.4	-158.7	0	0	0	0	109.6
34	Q	32.7	Very low	29.7	Very low	189 Å²	189	134.3 Å²	134.3	88%	0.883	78%	0.778	S	S	*	*			trans	-85.6	157.9	-146.3	-68.3	169.3	-19.8	0	0	116.6
35	K	27.9	Very low	30.2	Very low	171 Å²	171	135.6 Å²	135.6	74%	0.743	78%	0.775	S	S	*	*			trans	-69.3	154	-175.7	-62.4	179.5	166.1	-162.5	0	114.5	D37	K35-D37 IonicContact NZ-OD1 3.81Å
36	V	31.7	Very low	30.2	Very low	140 Å²	140	135 Å²	135	85%	0.848	77%	0.769	S	S	*	*			trans	-126.3	116.8	146.6	179.1	0	0	0	0	106.8
37	D	29	Very low	30.1	Very low	131 Å²	131	134.2 Å²	134.2	70%	0.701	77%	0.765	S	S	*	*			trans	-78.8	124.7	-174.4	-61.9	-63.5	0	0	0	111.7	K35	K35-D37 IonicContact NZ-OD1 3.81Å
38	V	32.1	Very low	30.3	Very low	130 Å²	130	132.1 Å²	132.1	79%	0.788	75%	0.753	S	S	*	*			trans	-126.9	126.9	159.2	-177.1	0	0	0	0	106.4	E40	V38-E40 PolarHBondContact O-N 2.98Å; V38-E40 VanDerWaalsContact O-N 3.08Å
39	A	28.8	Very low	30.4	Very low	96 Å²	96	130.6 Å²	130.6	79%	0.793	74%	0.74	S	S	*	*			trans	-67.1	107.8	-165.1	0	0	0	0	0	113.1	V41	A39-V41 PolarHBondContact O-N 2.88Å
40	E	29.3	Very low	30.4	Very low	187 Å²	187	132.4 Å²	132.4	87%	0.874	74%	0.738	S	S	*	*			trans	-73.2	118	164.5	-68.7	-173.2	146.6	0	0	109.5	V38 E42	V38-E40 PolarHBondContact O-N 2.98Å; V38-E40 VanDerWaalsContact O-N 3.08Å; E40-E42 PolarHBondContact O-N 3.25Å
41	V	30.1	Very low	30.7	Very low	125 Å²	125	132.7 Å²	132.7	76%	0.758	74%	0.739	S	S	*	*			trans	-80.2	110.2	166.2	176.5	0	0	0	0	107.2	A39 V43	A39-V41 PolarHBondContact O-N 2.88Å; V41-V43 HydrophobicContact CG1-CG2 4.45Å; V41-V43 PolarHBondContact O-N 3.22Å
42	E	27.3	Very low	31.3	Very low	193 Å²	193	129.2 Å²	129.2	90%	0.902	72%	0.719	S	S	*	*			trans	-61.6	96.6	170.6	-80.3	-171.5	130.1	0	0	110.2	E40 N44	E40-E42 PolarHBondContact O-N 3.25Å; E42-N44 PolarHBondContact O-N 3.19Å
43	V	29.4	Very low	32.6	Very low	94 Å²	94	130.7 Å²	130.7	57%	0.57	71%	0.707	S	S	*	*			trans	-78.8	101.9	169.9	-177.3	0	0	0	0	107.8	V41 I45 L48	V41-V43 HydrophobicContact CG1-CG2 4.45Å; V41-V43 PolarHBondContact O-N 3.22Å; V43-I45 PolarHBondContact O-N 3.3Å; V43-L48 HydrophobicContact CG1-CD1 3.43Å; V43-L48 VanDerWaalsContact CG1-CD1 3.43Å
44	N	27.2	Very low	34.6	Very low	91 Å²	91	133.1 Å²	133.1	49%	0.487	70%	0.703	S	S	.	*			trans	-60.7	107.7	178.8	-174.7	-5.6	0	0	0	110.8	E42 E46 N47	E42-N44 PolarHBondContact O-N 3.19Å; N44-E46 PolarHBondContact O-N 3.41Å; N44-E46 VanDerWaalsContact O-N 3.15Å; N44-E46 PolarHBondContact OD1-N 3.15Å; N44-N47 PolarHBondContact O-N 3.26Å
45	I	34.2	Very low	37	Very low	135 Å²	135	124.9 Å²	124.9	69%	0.692	67%	0.666	S	S	*	*	G	3₁₀ helix	trans	-61.8	-24.3	-172.1	-61.9	177.7	0	0	0	112.2	V43 N47 L48 A49	V43-I45 PolarHBondContact O-N 3.3Å; I45-N47 PolarHBondContact O-N 3.44Å; I45-L48 PolarHBondContact O-N 2.85Å; I45-L48 VanDerWaalsContact O-N 3.14Å; I45-A49 PolarHBondContact O-N 3.17Å
46	E	31.8	Very low	39.8	Very low	141 Å²	141	119.8 Å²	119.8	66%	0.659	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-59.8	-31	178.6	-61.6	-174.7	154	0	0	112.4	N44 H50	N44-E46 PolarHBondContact O-N 3.41Å; N44-E46 VanDerWaalsContact O-N 3.15Å; N44-E46 PolarHBondContact OD1-N 3.15Å; E46-H50 PolarHBondContact O-CD2 3.14Å; E46-H50 VanDerWaalsContact O-CD2 3.3Å
47	N	28.2	Very low	42.5	Very low	128 Å²	128	115 Å²	115	68%	0.684	62%	0.619	S	S	*	*	G	3₁₀ helix	trans	-83.6	-12.4	179.7	-73.6	-27.9	0	0	0	114.6	N44 I45	N44-N47 PolarHBondContact O-N 3.26Å; I45-N47 PolarHBondContact O-N 3.44Å
48	L	30.8	Very low	45.4	Very low	116 Å²	116	112.7 Å²	112.7	61%	0.607	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.2	-22.6	175	-83.2	134.6	0	0	0	113	V43 I45 H50	V43-L48 HydrophobicContact CG1-CD1 3.43Å; V43-L48 VanDerWaalsContact CG1-CD1 3.43Å; I45-L48 PolarHBondContact O-N 2.85Å; I45-L48 VanDerWaalsContact O-N 3.14Å; L48-H50 VanDerWaalsContact C-N 3.27Å; L48-H50 PolarHBondContact O-N 2.96Å
49	A	33.2	Very low	48.3	Very low	62 Å²	62	106.7 Å²	106.7	51%	0.512	58%	0.576	S	S	.	*	G	3₁₀ helix	trans	-72.8	-16	178.8	0	0	0	0	0	114	I45 N51 T52	I45-A49 PolarHBondContact O-N 3.17Å; A49-N51 PolarHBondContact O-N 3.33Å; A49-T52 PolarHBondContact O-OG1 3.22Å
50	H	31.5	Very low	51.4	Low	159 Å²	159	102.7 Å²	102.7	74%	0.736	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-78.9	-8.6	-170.9	-87.9	-60.3	0	0	0	116.1	E46 L48	E46-H50 PolarHBondContact O-CD2 3.14Å; E46-H50 VanDerWaalsContact O-CD2 3.3Å; L48-H50 VanDerWaalsContact C-N 3.27Å; L48-H50 PolarHBondContact O-N 2.96Å
51	N	32.9	Very low	54.4	Low	152 Å²	152	97.2 Å²	97.2	81%	0.813	52%	0.518	S	S	*	.	G	3₁₀ helix	trans	-118.6	10.9	178.7	-90.6	-10.9	0	0	0	114.7	A49	A49-N51 PolarHBondContact O-N 3.33Å
52	T	48.8	Very low	57.4	Low	74 Å²	74	94.1 Å²	94.1	45%	0.454	50%	0.496	S	S	.	.	S	Bend	trans	-88.6	118.4	175.8	57.2	0	0	0	0	111.6	A49 K54 F387	A49-T52 PolarHBondContact O-OG1 3.22Å; T52-K54 PolarHBondContact O-N 2.86Å; T52-K54 VanDerWaalsContact O-N 3.12Å; T52-F387 HydrophobicContact CG2-CE1 4.33Å; T52-F387 HydrophobicContact CG2-CZ 4.2Å
53	E	58.3	Low	60.4	Low	97 Å²	97	86.9 Å²	86.9	45%	0.453	46%	0.464	S	S	.	.			trans	-57.1	115.3	173.1	-165.4	177.5	-135.6	0	0	109.2	V55 K79 G82	E53-V55 PolarHBondContact O-N 2.94Å; E53-V55 VanDerWaalsContact O-N 3.14Å; E53-K79 IonicContact OE2-NZ 2.68Å; E53-G82 WeakPolarHBondContact OE1-CA 3.38Å
54	K	70.9	Confident	63.3	Low	184 Å²	184	86.2 Å²	86.2	80%	0.8	45%	0.452	S	S	*	.			trans	-75.1	106.1	-176.4	-173.8	-177.1	179.4	-176.7	0	109.4	T52	T52-K54 PolarHBondContact O-N 2.86Å; T52-K54 VanDerWaalsContact O-N 3.12Å
55	V	83.9	Confident	66.1	Low	17 Å²	17	81.9 Å²	81.9	10%	0.103	43%	0.429	C	S	.	.			trans	-92.3	132.8	-178.8	-177.3	0	0	0	0	111.2	E53 C59 F60 Y127 F129 V382	E53-V55 PolarHBondContact O-N 2.94Å; E53-V55 VanDerWaalsContact O-N 3.14Å; V55-C59 HydrophobicContact CG1-CB 4.26Å; V55-F60 HydrophobicContact CG1-CE2 3.51Å; V55-F60 HydrophobicContact CG1-CZ 3.95Å; V55-Y127 HydrophobicContact CB-CD1 4.28Å; V55-Y127 HydrophobicContact CG1-CD1 4.2Å; V55-Y127 HydrophobicContact CG1-CG 4.43Å; V55-Y127 HydrophobicContact CG2-CD1 3.76Å; V55-Y127 HydrophobicContact CG2-CE1 3.79Å; V55-F129 HydrophobicContact CB-CD1 4.44Å; V55-F129 HydrophobicContact CG1-CD1 3.85Å; V55-F129 HydrophobicContact CG1-CE1 3.77Å; V55-V382 HydrophobicContact CG2-CG2 4.43Å
56	D	87.7	Confident	68.6	Low	63 Å²	63	76.3 Å²	76.3	34%	0.337	40%	0.4	S	S	.	.			trans	-142	175.8	176.7	78.9	64.2	0	0	0	110.8	S58 C59	D56-S58 PolarHBondContact O-N 3.41Å; D56-S58 VanDerWaalsContact O-N 3.1Å; D56-S58 VanDerWaalsContact OD1-CB 3.28Å; D56-S58 WeakPolarHBondContact OD1-CB 3.43Å; D56-S58 PolarHBondContact OD1-N 3.29Å; D56-S58 PolarHBondContact OD1-OG 3.1Å; D56-S58 PolarHBondContact OD2-OG 3Å; D56-C59 WeakPolarHBondContact O-CB 3.26Å; D56-C59 PolarHBondContact O-N 2.99Å; D56-C59 VanDerWaalsContact O-N 3.11Å; D56-C59 PolarHBondContact O-SG 3.33Å
57	P	87.4	Confident	70.8	Confident	41 Å²	41	70.2 Å²	70.2	27%	0.266	38%	0.375	S	S	.	.	G	3₁₀ helix	trans	-54.7	-28.2	-177.9	-23.5	31.8	0	0	0	115.3	C59 F60 F129 T131 Y136	P57-C59 PolarHBondContact O-N 3.2Å; P57-F60 PolarHBondContact O-N 3.49Å; P57-F129 HydrophobicContact CB-CE2 4.46Å; P57-F129 HydrophobicContact CG-CE2 3.85Å; P57-T131 HydrophobicContact CG-CG2 4.07Å; P57-Y136 HydrophobicContact CB-CE1 4.48Å; P57-Y136 HydrophobicContact CG-CE1 4.16Å; P57-Y136 HydrophobicContact CG-CE2 4.06Å
58	S	90.5	Very high	73.2	Confident	82 Å²	82	67.5 Å²	67.5	57%	0.573	36%	0.358	S	S	*	.	G	3₁₀ helix	trans	-70.5	-16.5	-179.2	68.5	0	0	0	0	114.1	D56 F60 N80	D56-S58 PolarHBondContact O-N 3.41Å; D56-S58 VanDerWaalsContact O-N 3.1Å; D56-S58 VanDerWaalsContact OD1-CB 3.28Å; D56-S58 WeakPolarHBondContact OD1-CB 3.43Å; D56-S58 PolarHBondContact OD1-N 3.29Å; D56-S58 PolarHBondContact OD1-OG 3.1Å; D56-S58 PolarHBondContact OD2-OG 3Å; S58-F60 PolarHBondContact O-N 3.39Å; S58-N80 PolarHBondContact O-ND2 3Å
59	C	91.8	Very high	74.8	Confident	4 Å²	4	63 Å²	63	3%	0.027	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-70.7	-3.7	172.7	-55.3	0	0	0	0	113.7	V55 D56 P57 K79 N80 N81	V55-C59 HydrophobicContact CG1-CB 4.26Å; D56-C59 WeakPolarHBondContact O-CB 3.26Å; D56-C59 PolarHBondContact O-N 2.99Å; D56-C59 VanDerWaalsContact O-N 3.11Å; D56-C59 PolarHBondContact O-SG 3.33Å; P57-C59 PolarHBondContact O-N 3.2Å; C59-K79 WeakPolarHBondContact O-CA 3.43Å; C59-K79 WeakPolarHBondContact O-CG 3.43Å; C59-N80 VanDerWaalsContact C-OD1 3.26Å; C59-N80 WeakPolarHBondContact CA-OD1 3.13Å; C59-N80 PolarHBondContact O-N 3.5Å; C59-N80 PolarHBondContact O-OD1 2.99Å; C59-N80 VanDerWaalsContact O-OD1 3.13Å; C59-N81 WeakPolarHBondContact CB-OD1 3.25Å; C59-N81 PolarHBondContact SG-ND2 3.17Å
60	F	93.7	Very high	76.1	Confident	11 Å²	11	62.9 Å²	62.9	5%	0.048	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.7	-170.9	-60.8	-84.7	0	0	0	113.3	V55 P57 S58 V77 R78 K79 Y89 M91 Y127 F129 I138	V55-F60 HydrophobicContact CG1-CE2 3.51Å; V55-F60 HydrophobicContact CG1-CZ 3.95Å; P57-F60 PolarHBondContact O-N 3.49Å; S58-F60 PolarHBondContact O-N 3.39Å; F60-V77 HydrophobicContact CB-CB 4.14Å; F60-V77 HydrophobicContact CB-CG2 4.22Å; F60-V77 HydrophobicContact CD1-CB 4.46Å; F60-V77 HydrophobicContact CD1-CG2 3.71Å; F60-V77 HydrophobicContact CE1-CG2 4.49Å; F60-V77 HydrophobicContact CG-CG2 4.24Å; F60-R78 CarbonylContact C-O 3.57Å; F60-R78 WeakPolarHBondContact CA-O 3.28Å; F60-K79 HydrophobicContact CD1-CB 4.04Å; F60-K79 HydrophobicContact CD1-CG 4.1Å; F60-K79 HydrophobicContact CE1-CB 3.93Å; F60-K79 HydrophobicContact CE1-CD 4.07Å; F60-K79 HydrophobicContact CE1-CG 3.77Å; F60-K79 HydrophobicContact CZ-CD 4.35Å; F60-K79 HydrophobicContact CZ-CG 4.28Å; F60-Y89 HydrophobicContact CE1-CD2 4.09Å; F60-M91 HydrophobicContact CB-CE 3.59Å; F60-M91 HydrophobicContact CD1-CE 4.48Å; F60-M91 HydrophobicContact CD2-CE 3.75Å; F60-M91 HydrophobicContact CG-CE 3.69Å; F60-Y127 HydrophobicContact CZ-CD2 4.08Å; F60-Y127 HydrophobicContact CZ-CE2 4.45Å; F60-F129 HydrophobicContact CD2-CE1 4.28Å; F60-F129 HydrophobicContact CD2-CZ 4.03Å; F60-F129 AromaticContact CE2-CE1 3.56Å; F60-F129 HydrophobicContact CE2-CE1 3.56Å; F60-F129 AromaticContact CE2-CZ 3.78Å; F60-F129 HydrophobicContact CE2-CZ 3.78Å; F60-F129 HydrophobicContact CZ-CE1 4.31Å; F60-I138 HydrophobicContact CE1-CG1 4.41Å; F60-I138 HydrophobicContact CE1-CG2 3.9Å; F60-I138 HydrophobicContact CE2-CD1 4.28Å; F60-I138 HydrophobicContact CE2-CG1 4.22Å; F60-I138 HydrophobicContact CZ-CD1 4.23Å; F60-I138 HydrophobicContact CZ-CG1 3.89Å; F60-I138 HydrophobicContact CZ-CG2 4.1Å
61	D	93.3	Very high	77.8	Confident	73 Å²	73	58.1 Å²	58.1	39%	0.39	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	121.3	172.8	-49.6	-32.1	0	0	0	109.4	L63 V77 R78 N80	D61-L63 PolarHBondContact O-N 3.12Å; D61-V77 CarbonylContact O-C 3.45Å; D61-V77 WeakPolarHBondContact O-CA 3.39Å; D61-V77 WeakPolarHBondContact O-CB 3.22Å; D61-R78 HydrophobicContact CB-CB 4.43Å; D61-R78 PolarHBondContact N-O 3.39Å; D61-R78 PolarHBondContact O-N 2.89Å; D61-N80 PolarHBondContact OD1-ND2 2.68Å
62	L	92.4	Very high	79.7	Confident	59 Å²	59	51.9 Å²	51.9	31%	0.309	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	114.8	178.1	-68.8	160.5	0	0	0	110.5	F75 V77 M91 P360 D362	L62-F75 HydrophobicContact CD2-CB 3.74Å; L62-F75 HydrophobicContact CD2-CD1 3.73Å; L62-F75 HydrophobicContact CD2-CD2 3.97Å; L62-F75 HydrophobicContact CD2-CE1 4.23Å; L62-F75 HydrophobicContact CD2-CE2 4.45Å; L62-F75 HydrophobicContact CD2-CG 3.57Å; L62-V77 HydrophobicContact CD2-CG1 3.82Å; L62-M91 HydrophobicContact CD2-SD 4.24Å; L62-P360 HydrophobicContact CB-CB 4.19Å; L62-P360 WeakPolarHBondContact CB-O 3.34Å; L62-D362 HydrophobicContact CD1-CB 4.11Å
63	L	90.2	Very high	81.5	Confident	42 Å²	42	51 Å²	51	22%	0.22	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	-51.3	-176.5	-57.4	-174.5	0	0	0	113.4	D61 L76 R78 L88 P360	D61-L63 PolarHBondContact O-N 3.12Å; L63-L76 HydrophobicContact CB-CG 4.32Å; L63-L76 WeakPolarHBondContact CB-O 3.18Å; L63-L76 HydrophobicContact CD1-CG 4.32Å; L63-L76 PolarHBondContact N-O 2.78Å; L63-R78 HydrophobicContact CD1-CB 4.12Å; L63-R78 HydrophobicContact CG-CB 4.42Å; L63-L88 HydrophobicContact CD1-CD2 3.64Å; L63-P360 WeakPolarHBondContact O-CG 3.44Å
64	Y	89.8	Confident	83	Confident	80 Å²	80	48.2 Å²	48.2	31%	0.314	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	152.9	-178.1	-63.2	-80.8	0	0	0	110.9	F75 L76 I348	Y64-F75 CarbonylContact O-C 3.56Å; Y64-F75 WeakPolarHBondContact O-CA 3.37Å; Y64-L76 HydrophobicContact CD2-CD2 4.1Å; Y64-L76 PolarHBondContact N-O 2.94Å; Y64-L76 PolarHBondContact O-N 3.31Å; Y64-I348 HydrophobicContact CD1-CD1 3.77Å; Y64-I348 HydrophobicContact CD2-CD1 4.38Å; Y64-I348 HydrophobicContact CD2-CG2 3.85Å; Y64-I348 HydrophobicContact CE1-CD1 3.62Å; Y64-I348 HydrophobicContact CE2-CD1 4.24Å; Y64-I348 HydrophobicContact CE2-CG2 4.26Å; Y64-I348 HydrophobicContact CG-CD1 4.15Å; Y64-I348 HydrophobicContact CG-CG2 4.17Å
65	V	87.7	Confident	84	Confident	0 Å²	0	39.4 Å²	39.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.4	160.6	-170.3	0	0	0	0	107.1	G67 F75 Y355 T356 R358	V65-G67 WeakPolarHBondContact CG1-O 3.49Å; V65-F75 HydrophobicContact CG2-CD1 3.94Å; V65-F75 HydrophobicContact CG2-CE1 3.83Å; V65-Y355 CarbonylContact O-C 3.54Å; V65-Y355 VanDerWaalsContact O-CB 3.25Å; V65-Y355 WeakPolarHBondContact O-CB 3.24Å; V65-T356 VanDerWaalsContact O-CA 3.3Å; V65-T356 WeakPolarHBondContact O-CA 3.26Å; V65-T356 PolarHBondContact O-N 3.17Å; V65-T356 VanDerWaalsContact O-N 3.17Å; V65-R358 HydrophobicContact CB-CB 4.46Å; V65-R358 HydrophobicContact CG2-CB 4.15Å
66	I	85.7	Confident	84.5	Confident	18 Å²	18	38.6 Å²	38.6	9%	0.092	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-11.7	179.5	59.9	175.6	0	0	0	113.1	V74 L76 A90 F141 F351 T356	I66-V74 HydrophobicContact CD1-CG1 3.93Å; I66-V74 HydrophobicContact CG1-CB 4.1Å; I66-V74 HydrophobicContact CG1-CG1 3.76Å; I66-V74 PolarHBondContact N-O 3.33Å; I66-L76 HydrophobicContact CD1-CB 4.34Å; I66-L76 HydrophobicContact CG2-CB 3.67Å; I66-A90 HydrophobicContact CD1-CB 4.12Å; I66-F141 HydrophobicContact CD1-CD2 4.04Å; I66-F141 HydrophobicContact CD1-CE2 3.85Å; I66-F351 HydrophobicContact CB-CD1 3.78Å; I66-F351 HydrophobicContact CB-CE1 4.12Å; I66-F351 HydrophobicContact CB-CG 4.32Å; I66-F351 HydrophobicContact CD1-CE1 4.17Å; I66-F351 HydrophobicContact CG2-CD1 4.23Å; I66-F351 HydrophobicContact CG2-CG 4.33Å; I66-T356 HydrophobicContact CG2-CG2 4.48Å
67	G	78.9	Confident	84.8	Confident	13 Å²	13	35.6 Å²	35.6	13%	0.134	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-167.7	163	171.7	0	0	0	0	0	113	V65 V74	V65-G67 WeakPolarHBondContact CG1-O 3.49Å; G67-V74 PolarHBondContact N-O 3.02Å; G67-V74 PolarHBondContact O-N 3.45Å
68	Q	77.4	Confident	85.2	Confident	71 Å²	71	37.4 Å²	37.4	33%	0.332	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	137.3	171.4	-170.9	169.6	-36.7	0	0	110.9	M1 K73 Y355	M1-Q68 PolarHBondContact N-O 3.41Å; Q68-K73 HydrophobicContact CG-CG 4.15Å; Q68-Y355 HydrophobicContact CB-CD1 4.03Å; Q68-Y355 HydrophobicContact CB-CE1 3.79Å
69	G	64.8	Low	85.3	Confident	22 Å²	22	33.5 Å²	33.5	23%	0.227	18%	0.178	C	C	.	.			trans	-112.7	178.3	173.3	0	0	0	0	0	111.9	M1 F71 G72	M1-G69 WeakPolarHBondContact O-CA 3.38Å; G69-F71 VanDerWaalsContact C-N 3.26Å; G69-F71 PolarHBondContact O-N 3.44Å; G69-G72 PolarHBondContact N-O 2.89Å
70	S	60	Low	85.4	Confident	58 Å²	58	35.6 Å²	35.6	41%	0.406	19%	0.189	S	C	.	.	S	Bend	trans	-62.1	-29.7	177.3	50.3	0	0	0	0	113.9
71	F	67.6	Low	85.2	Confident	60 Å²	60	37.5 Å²	37.5	26%	0.263	20%	0.2	S	C	.	.	S	Bend	trans	-116.8	-0	-173.3	-49.8	-59.8	0	0	0	114.5	L3 G69 K95 V98 L99	L3-F71 HydrophobicContact CD1-CE2 4.22Å; G69-F71 VanDerWaalsContact C-N 3.26Å; G69-F71 PolarHBondContact O-N 3.44Å; F71-K95 PolarHBondContact O-N 3.15Å; F71-V98 HydrophobicContact CB-CG2 4.24Å; F71-V98 HydrophobicContact CD1-CG2 4.17Å; F71-L99 HydrophobicContact CB-CD2 3.64Å; F71-L99 HydrophobicContact CD1-CD2 4.34Å; F71-L99 HydrophobicContact CD2-CD2 4.04Å; F71-L99 HydrophobicContact CG-CD2 3.75Å
72	G	73.8	Confident	84.7	Confident	21 Å²	21	35.4 Å²	35.4	22%	0.216	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	173	-165.6	0	0	0	0	0	115.3	G69 V93	G69-G72 PolarHBondContact N-O 2.89Å; G72-V93 CarbonylContact C-O 3.37Å; G72-V93 WeakPolarHBondContact CA-O 3.41Å
73	K	85.8	Confident	84.2	Confident	54 Å²	54	39 Å²	39	24%	0.235	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	152.8	174.2	-70.4	-178.6	178.6	-175.7	0	109.4	Q68 F75 V93 H361	Q68-K73 HydrophobicContact CG-CG 4.15Å; K73-F75 HydrophobicContact CB-CD2 4.23Å; K73-F75 HydrophobicContact CB-CE2 3.62Å; K73-F75 HydrophobicContact CB-CZ 3.83Å; K73-F75 HydrophobicContact CD-CE1 4.11Å; K73-F75 HydrophobicContact CD-CE2 4.22Å; K73-F75 HydrophobicContact CD-CZ 3.57Å; K73-F75 HydrophobicContact CG-CZ 4.37Å; K73-V93 PolarHBondContact N-O 2.91Å; K73-V93 PolarHBondContact O-N 3.43Å; K73-H361 PolarHBondContact NZ-O 2.97Å
74	V	89.5	Confident	84.2	Confident	39 Å²	39	37.7 Å²	37.7	24%	0.236	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	124.6	168.2	-168	0	0	0	0	107.8	I66 G67 A90 M91 K92	I66-V74 HydrophobicContact CD1-CG1 3.93Å; I66-V74 HydrophobicContact CG1-CB 4.1Å; I66-V74 HydrophobicContact CG1-CG1 3.76Å; I66-V74 PolarHBondContact N-O 3.33Å; G67-V74 PolarHBondContact N-O 3.02Å; G67-V74 PolarHBondContact O-N 3.45Å; V74-A90 HydrophobicContact CG1-CB 4.27Å; V74-M91 WeakPolarHBondContact CA-O 3.43Å; V74-K92 HydrophobicContact CG2-CG 4.31Å
75	F	92.8	Very high	84.3	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	140.9	178.3	-57.2	-92.8	0	0	0	110.3	L62 Y64 V65 K73 V77 A90 M91 V93 P360 D362	L62-F75 HydrophobicContact CD2-CB 3.74Å; L62-F75 HydrophobicContact CD2-CD1 3.73Å; L62-F75 HydrophobicContact CD2-CD2 3.97Å; L62-F75 HydrophobicContact CD2-CE1 4.23Å; L62-F75 HydrophobicContact CD2-CE2 4.45Å; L62-F75 HydrophobicContact CD2-CG 3.57Å; Y64-F75 CarbonylContact O-C 3.56Å; Y64-F75 WeakPolarHBondContact O-CA 3.37Å; V65-F75 HydrophobicContact CG2-CD1 3.94Å; V65-F75 HydrophobicContact CG2-CE1 3.83Å; K73-F75 HydrophobicContact CB-CD2 4.23Å; K73-F75 HydrophobicContact CB-CE2 3.62Å; K73-F75 HydrophobicContact CB-CZ 3.83Å; K73-F75 HydrophobicContact CD-CE1 4.11Å; K73-F75 HydrophobicContact CD-CE2 4.22Å; K73-F75 HydrophobicContact CD-CZ 3.57Å; K73-F75 HydrophobicContact CG-CZ 4.37Å; F75-V77 HydrophobicContact CB-CG1 3.87Å; F75-A90 CarbonylContact O-C 3.52Å; F75-A90 WeakPolarHBondContact O-CA 3.34Å; F75-M91 HydrophobicContact CB-CB 4.46Å; F75-M91 PolarHBondContact N-O 3.24Å; F75-M91 PolarHBondContact O-N 2.72Å; F75-V93 HydrophobicContact CD2-CG2 3.77Å; F75-V93 HydrophobicContact CE2-CB 4.21Å; F75-V93 HydrophobicContact CE2-CG2 3.73Å; F75-P360 HydrophobicContact CD1-CB 4.49Å; F75-D362 HydrophobicContact CE2-CB 4.44Å; F75-D362 HydrophobicContact CZ-CB 4.22Å
76	L	93.8	Very high	84.4	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	123.3	157.2	173.6	53.5	0	0	0	107.2	L63 Y64 I66 L88 F141 I348	L63-L76 HydrophobicContact CB-CG 4.32Å; L63-L76 WeakPolarHBondContact CB-O 3.18Å; L63-L76 HydrophobicContact CD1-CG 4.32Å; L63-L76 PolarHBondContact N-O 2.78Å; Y64-L76 HydrophobicContact CD2-CD2 4.1Å; Y64-L76 PolarHBondContact N-O 2.94Å; Y64-L76 PolarHBondContact O-N 3.31Å; I66-L76 HydrophobicContact CD1-CB 4.34Å; I66-L76 HydrophobicContact CG2-CB 3.67Å; L76-L88 HydrophobicContact CD1-CB 4Å; L76-L88 HydrophobicContact CD1-CD1 4.38Å; L76-L88 HydrophobicContact CD1-CD2 4.19Å; L76-L88 HydrophobicContact CD1-CG 4.43Å; L76-F141 HydrophobicContact CB-CE2 4.45Å; L76-F141 HydrophobicContact CD1-CB 4.31Å; L76-F141 HydrophobicContact CD1-CD1 3.64Å; L76-F141 HydrophobicContact CD1-CD2 3.71Å; L76-F141 HydrophobicContact CD1-CE1 3.79Å; L76-F141 HydrophobicContact CD1-CE2 3.86Å; L76-F141 HydrophobicContact CD1-CG 3.6Å; L76-F141 HydrophobicContact CD1-CZ 3.91Å; L76-F141 HydrophobicContact CD2-CE1 3.88Å; L76-F141 HydrophobicContact CD2-CE2 4.18Å; L76-F141 HydrophobicContact CD2-CZ 3.67Å; L76-F141 HydrophobicContact CG-CE1 4.49Å; L76-F141 HydrophobicContact CG-CE2 4.39Å; L76-F141 HydrophobicContact CG-CZ 4.32Å; L76-I348 HydrophobicContact CD2-CG2 3.98Å
77	V	94.3	Very high	84.7	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	157.6	179.7	-55.4	0	0	0	0	111.4	F60 D61 L62 F75 L88 Y89 M91	F60-V77 HydrophobicContact CB-CB 4.14Å; F60-V77 HydrophobicContact CB-CG2 4.22Å; F60-V77 HydrophobicContact CD1-CB 4.46Å; F60-V77 HydrophobicContact CD1-CG2 3.71Å; F60-V77 HydrophobicContact CE1-CG2 4.49Å; F60-V77 HydrophobicContact CG-CG2 4.24Å; D61-V77 CarbonylContact O-C 3.45Å; D61-V77 WeakPolarHBondContact O-CA 3.39Å; D61-V77 WeakPolarHBondContact O-CB 3.22Å; L62-V77 HydrophobicContact CD2-CG1 3.82Å; F75-V77 HydrophobicContact CB-CG1 3.87Å; V77-L88 WeakPolarHBondContact O-CA 3.41Å; V77-Y89 WeakPolarHBondContact CG2-O 3.39Å; V77-Y89 PolarHBondContact N-O 2.95Å; V77-Y89 PolarHBondContact O-N 3.35Å; V77-M91 HydrophobicContact CB-CB 4.46Å; V77-M91 HydrophobicContact CG1-CB 3.63Å; V77-M91 HydrophobicContact CG1-CE 4Å; V77-M91 HydrophobicContact CG1-CG 4.45Å; V77-M91 HydrophobicContact CG1-SD 4.07Å; V77-M91 HydrophobicContact CG2-CB 3.94Å; V77-M91 HydrophobicContact CG2-CE 4.32Å
78	R	94.8	Very high	85.4	Confident	78 Å²	78	45 Å²	45	29%	0.294	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	129.9	170.7	-177	177.8	-67.6	177.8	-4.2	109.5	F60 D61 L63 T87 L88 N346	F60-R78 CarbonylContact C-O 3.57Å; F60-R78 WeakPolarHBondContact CA-O 3.28Å; D61-R78 HydrophobicContact CB-CB 4.43Å; D61-R78 PolarHBondContact N-O 3.39Å; D61-R78 PolarHBondContact O-N 2.89Å; L63-R78 HydrophobicContact CD1-CB 4.12Å; L63-R78 HydrophobicContact CG-CB 4.42Å; R78-T87 WeakPolarHBondContact CA-O 3.24Å; R78-L88 HydrophobicContact CB-CD2 3.88Å; R78-L88 HydrophobicContact CG-CD2 4.24Å; R78-N346 PolarHBondContact NH2-ND2 3.35Å; R78-N346 PolarHBondContact NH2-OD1 3.11Å
79	K	94.1	Very high	86.2	Confident	1 Å²	1	42.1 Å²	42.1	0%	0.004	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	133.2	174.9	-160.4	177.3	-178.9	-107.7	0	110.5	E53 C59 F60 N81 D84 G86 T87 Y89 Y127	E53-K79 IonicContact OE2-NZ 2.68Å; C59-K79 WeakPolarHBondContact O-CA 3.43Å; C59-K79 WeakPolarHBondContact O-CG 3.43Å; F60-K79 HydrophobicContact CD1-CB 4.04Å; F60-K79 HydrophobicContact CD1-CG 4.1Å; F60-K79 HydrophobicContact CE1-CB 3.93Å; F60-K79 HydrophobicContact CE1-CD 4.07Å; F60-K79 HydrophobicContact CE1-CG 3.77Å; F60-K79 HydrophobicContact CZ-CD 4.35Å; F60-K79 HydrophobicContact CZ-CG 4.28Å; K79-N81 PolarHBondContact NZ-O 2.69Å; K79-D84 VanDerWaalsContact CD-CG 3.43Å; K79-D84 WeakPolarHBondContact CD-OD1 3.43Å; K79-D84 WeakPolarHBondContact CD-OD2 3.48Å; K79-D84 WeakPolarHBondContact CE-OD1 3.44Å; K79-D84 IonicContact NZ-OD1 2.73Å; K79-D84 PolarHBondContact NZ-OD1 2.83Å; K79-D84 IonicContact NZ-OD2 3.94Å; K79-G86 PolarHBondContact O-N 3.06Å; K79-T87 PolarHBondContact N-O 2.77Å; K79-Y89 HydrophobicContact CB-CD2 4.38Å; K79-Y89 HydrophobicContact CB-CE2 4.23Å; K79-Y89 HydrophobicContact CD-CE2 4.46Å; K79-Y127 HydrophobicContact CD-CE2 4.15Å; K79-Y127 WeakPolarHBondContact CE-OH 3.45Å; K79-Y127 PolarHBondContact NZ-OH 3.13Å
80	N	92.4	Very high	87.6	Confident	47 Å²	47	41.6 Å²	41.6	25%	0.251	23%	0.227	S	C	.	.			trans	-103.9	-7.6	-173.3	63.8	29.1	0	0	0	114.4	S58 C59 D61 K85	S58-N80 PolarHBondContact O-ND2 3Å; C59-N80 VanDerWaalsContact C-OD1 3.26Å; C59-N80 WeakPolarHBondContact CA-OD1 3.13Å; C59-N80 PolarHBondContact O-N 3.5Å; C59-N80 PolarHBondContact O-OD1 2.99Å; C59-N80 VanDerWaalsContact O-OD1 3.13Å; D61-N80 PolarHBondContact OD1-ND2 2.68Å; N80-K85 WeakPolarHBondContact O-CD 3.29Å; N80-K85 WeakPolarHBondContact O-CE 3.47Å; N80-K85 WeakPolarHBondContact O-CG 3.27Å; N80-K85 PolarHBondContact O-NZ 3.14Å
81	N	89.4	Confident	89.2	Confident	51 Å²	51	39 Å²	39	27%	0.273	21%	0.209	S	C	.	.	S	Bend	trans	-139.7	-179.2	-178.8	66.6	9.6	0	0	0	113	C59 K79	C59-N81 WeakPolarHBondContact CB-OD1 3.25Å; C59-N81 PolarHBondContact SG-ND2 3.17Å; K79-N81 PolarHBondContact NZ-O 2.69Å
82	G	84.4	Confident	90.4	Very high	30 Å²	30	37.4 Å²	37.4	31%	0.309	20%	0.202	S	C	.	.	S	Bend	trans	67.9	-172.8	179.5	0	0	0	0	0	115.2	E53 D84 K85	E53-G82 WeakPolarHBondContact OE1-CA 3.38Å; G82-D84 VanDerWaalsContact C-N 3.27Å; G82-D84 PolarHBondContact O-N 2.78Å; G82-K85 WeakPolarHBondContact O-CB 3.47Å; G82-K85 PolarHBondContact O-N 2.88Å
83	K	81.9	Confident	91.2	Very high	134 Å²	134	36.7 Å²	36.7	58%	0.583	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-28	-173.5	-67.3	-178.6	177.6	178.2	0	114	F386 E389	K83-F386 PolarHBondContact NZ-O 3.36Å; K83-F386 VanDerWaalsContact NZ-O 3.1Å; K83-E389 WeakPolarHBondContact CE-OE1 3.33Å; K83-E389 IonicContact NZ-OE1 3.16Å; K83-E389 PolarHBondContact NZ-OE1 2.64Å
84	D	89.3	Confident	91.2	Very high	15 Å²	15	34.7 Å²	34.7	8%	0.08	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.5	22.2	-177.3	61.1	-42.7	0	0	0	112.9	K79 G82 G86 T87 Y89 Y127 F386	K79-D84 VanDerWaalsContact CD-CG 3.43Å; K79-D84 WeakPolarHBondContact CD-OD1 3.43Å; K79-D84 WeakPolarHBondContact CD-OD2 3.48Å; K79-D84 WeakPolarHBondContact CE-OD1 3.44Å; K79-D84 IonicContact NZ-OD1 2.73Å; K79-D84 PolarHBondContact NZ-OD1 2.83Å; K79-D84 IonicContact NZ-OD2 3.94Å; G82-D84 VanDerWaalsContact C-N 3.27Å; G82-D84 PolarHBondContact O-N 2.78Å; D84-G86 PolarHBondContact O-N 2.9Å; D84-T87 WeakPolarHBondContact O-CB 3.48Å; D84-T87 PolarHBondContact O-N 3.4Å; D84-T87 PolarHBondContact O-OG1 3.17Å; D84-Y89 WeakPolarHBondContact OD2-CE2 3.32Å; D84-Y89 PolarHBondContact OD2-OH 3.04Å; D84-Y89 VanDerWaalsContact OD2-OH 3.04Å; D84-Y127 VanDerWaalsContact CG-OH 3.23Å; D84-Y127 PolarHBondContact OD1-OH 3.39Å; D84-Y127 PolarHBondContact OD2-OH 3.24Å; D84-F386 HydrophobicContact CB-CD1 4.5Å; D84-F386 HydrophobicContact CB-CE1 3.73Å; D84-F386 HydrophobicContact CB-CZ 4.4Å
85	K	91.1	Very high	91	Very high	151 Å²	151	35.9 Å²	35.9	66%	0.657	19%	0.187	S	C	*	.	T	Hydrogen-bonded Turn	trans	-50.7	128.8	173.4	176.4	173.1	-177.8	165.8	0	111.6	N80 G82	N80-K85 WeakPolarHBondContact O-CD 3.29Å; N80-K85 WeakPolarHBondContact O-CE 3.47Å; N80-K85 WeakPolarHBondContact O-CG 3.27Å; N80-K85 PolarHBondContact O-NZ 3.14Å; G82-K85 WeakPolarHBondContact O-CB 3.47Å; G82-K85 PolarHBondContact O-N 2.88Å
86	G	90.6	Very high	90.6	Very high	38 Å²	38	35.9 Å²	35.9	39%	0.392	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.1	-15.8	-178	0	0	0	0	0	114.2	K79 D84	K79-G86 PolarHBondContact O-N 3.06Å; D84-G86 PolarHBondContact O-N 2.9Å
87	T	92.7	Very high	89.7	Confident	58 Å²	58	38.2 Å²	38.2	36%	0.356	21%	0.206	S	C	.	.			trans	-65.1	144.3	177.4	-53.1	0	0	0	0	111.4	R78 K79 D84 Y89	R78-T87 WeakPolarHBondContact CA-O 3.24Å; K79-T87 PolarHBondContact N-O 2.77Å; D84-T87 WeakPolarHBondContact O-CB 3.48Å; D84-T87 PolarHBondContact O-N 3.4Å; D84-T87 PolarHBondContact O-OG1 3.17Å; T87-Y89 HydrophobicContact CG2-CD2 4.39Å; T87-Y89 HydrophobicContact CG2-CE1 3.95Å; T87-Y89 HydrophobicContact CG2-CE2 3.71Å; T87-Y89 VanDerWaalsContact CG2-CZ 3.44Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.41Å
88	L	93.4	Very high	88.8	Confident	18 Å²	18	41.8 Å²	41.8	9%	0.094	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	136.8	176.5	-66.7	-178.8	0	0	0	111.1	L63 L76 V77 R78 F141 I345	L63-L88 HydrophobicContact CD1-CD2 3.64Å; L76-L88 HydrophobicContact CD1-CB 4Å; L76-L88 HydrophobicContact CD1-CD1 4.38Å; L76-L88 HydrophobicContact CD1-CD2 4.19Å; L76-L88 HydrophobicContact CD1-CG 4.43Å; V77-L88 WeakPolarHBondContact O-CA 3.41Å; R78-L88 HydrophobicContact CB-CD2 3.88Å; R78-L88 HydrophobicContact CG-CD2 4.24Å; L88-F141 HydrophobicContact CB-CB 4.4Å; L88-F141 HydrophobicContact CB-CD1 4.15Å; L88-F141 HydrophobicContact CD1-CD1 4.34Å; L88-I345 WeakPolarHBondContact CD1-O 3.38Å
89	Y	94.2	Very high	87.7	Confident	9 Å²	9	38.2 Å²	38.2	4%	0.035	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	157.7	-179.5	-66.5	-67.7	0	0	0	112	F60 V77 K79 D84 T87 H126 Y127 I138 L139	F60-Y89 HydrophobicContact CE1-CD2 4.09Å; V77-Y89 WeakPolarHBondContact CG2-O 3.39Å; V77-Y89 PolarHBondContact N-O 2.95Å; V77-Y89 PolarHBondContact O-N 3.35Å; K79-Y89 HydrophobicContact CB-CD2 4.38Å; K79-Y89 HydrophobicContact CB-CE2 4.23Å; K79-Y89 HydrophobicContact CD-CE2 4.46Å; D84-Y89 WeakPolarHBondContact OD2-CE2 3.32Å; D84-Y89 PolarHBondContact OD2-OH 3.04Å; D84-Y89 VanDerWaalsContact OD2-OH 3.04Å; T87-Y89 HydrophobicContact CG2-CD2 4.39Å; T87-Y89 HydrophobicContact CG2-CE1 3.95Å; T87-Y89 HydrophobicContact CG2-CE2 3.71Å; T87-Y89 VanDerWaalsContact CG2-CZ 3.44Å; T87-Y89 WeakPolarHBondContact CG2-OH 3.41Å; Y89-H126 HydrophobicContact CE1-CB 4.02Å; Y89-H126 AromaticContact CE1-CD2 3.5Å; Y89-H126 VanDerWaalsContact CE1-CD2 3.5Å; Y89-H126 WeakPolarHBondContact CE1-CD2 3.26Å; Y89-H126 AromaticContact CE1-CG 3.52Å; Y89-H126 AromaticContact CE1-ND1 3.87Å; Y89-H126 AromaticContact CE1-NE2 3.81Å; Y89-Y127 HydrophobicContact CE2-CE2 4.41Å; Y89-I138 VanDerWaalsContact CB-CG2 3.43Å; Y89-I138 HydrophobicContact CD1-CG2 4.03Å; Y89-I138 HydrophobicContact CD2-CG2 3.98Å; Y89-I138 HydrophobicContact CG-CG2 3.55Å; Y89-L139 WeakPolarHBondContact CA-O 3.33Å; Y89-L139 WeakPolarHBondContact CB-O 3.35Å; Y89-L139 WeakPolarHBondContact CD1-O 3.5Å
90	A	93.3	Very high	86.9	Confident	11 Å²	11	45 Å²	45	9%	0.091	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	106.6	168.6	0	0	0	0	0	109.7	I66 V74 F75 L139	I66-A90 HydrophobicContact CD1-CB 4.12Å; V74-A90 HydrophobicContact CG1-CB 4.27Å; F75-A90 CarbonylContact O-C 3.52Å; F75-A90 WeakPolarHBondContact O-CA 3.34Å; A90-L139 HydrophobicContact CB-CB 4.32Å; A90-L139 PolarHBondContact N-O 3.08Å; A90-L139 PolarHBondContact O-N 3.32Å
91	M	94.3	Very high	86.1	Confident	4 Å²	4	46.9 Å²	46.9	2%	0.02	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	104.8	177.7	178.6	-171.6	-76	0	0	110.5	F60 L62 V74 F75 V77 V93 F129 Y136 L137 I138	F60-M91 HydrophobicContact CB-CE 3.59Å; F60-M91 HydrophobicContact CD1-CE 4.48Å; F60-M91 HydrophobicContact CD2-CE 3.75Å; F60-M91 HydrophobicContact CG-CE 3.69Å; L62-M91 HydrophobicContact CD2-SD 4.24Å; V74-M91 WeakPolarHBondContact CA-O 3.43Å; F75-M91 HydrophobicContact CB-CB 4.46Å; F75-M91 PolarHBondContact N-O 3.24Å; F75-M91 PolarHBondContact O-N 2.72Å; V77-M91 HydrophobicContact CB-CB 4.46Å; V77-M91 HydrophobicContact CG1-CB 3.63Å; V77-M91 HydrophobicContact CG1-CE 4Å; V77-M91 HydrophobicContact CG1-CG 4.45Å; V77-M91 HydrophobicContact CG1-SD 4.07Å; V77-M91 HydrophobicContact CG2-CB 3.94Å; V77-M91 HydrophobicContact CG2-CE 4.32Å; M91-V93 HydrophobicContact CG-CG2 3.6Å; M91-V93 HydrophobicContact SD-CG2 3.74Å; M91-F129 HydrophobicContact CE-CZ 4.28Å; M91-Y136 HydrophobicContact CE-CD1 4.48Å; M91-Y136 HydrophobicContact CG-CD1 4.12Å; M91-Y136 HydrophobicContact SD-CD1 3.78Å; M91-Y136 HydrophobicContact SD-CE1 4.11Å; M91-L137 CarbonylContact C-O 3.48Å; M91-L137 WeakPolarHBondContact CA-O 3.44Å; M91-I138 HydrophobicContact CB-CD1 3.78Å; M91-I138 HydrophobicContact CE-CD1 3.69Å; M91-I138 HydrophobicContact CG-CD1 3.56Å; M91-I138 HydrophobicContact SD-CD1 4.45Å
92	K	92	Very high	85.4	Confident	27 Å²	27	53.9 Å²	53.9	12%	0.117	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	113	171.7	-169.4	-173.9	-167	-173.1	0	108.9	V74 L94 E110 Y136 L137 D203	V74-K92 HydrophobicContact CG2-CG 4.31Å; K92-L94 HydrophobicContact CD-CD1 4.36Å; K92-L94 HydrophobicContact CG-CD1 4.05Å; K92-E110 IonicContact NZ-OE1 2.65Å; K92-E110 PolarHBondContact NZ-OE1 2.99Å; K92-E110 IonicContact NZ-OE2 2.66Å; K92-E110 PolarHBondContact NZ-OE2 2.85Å; K92-Y136 WeakPolarHBondContact O-CA 3.45Å; K92-L137 HydrophobicContact CB-CB 4.31Å; K92-L137 HydrophobicContact CD-CD1 4.39Å; K92-L137 PolarHBondContact N-O 3.41Å; K92-L137 PolarHBondContact O-N 3.41Å; K92-D203 IonicContact NZ-OD1 2.77Å; K92-D203 PolarHBondContact NZ-OD1 3.12Å
93	V	91.2	Very high	85	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.03	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	119.9	-177	-172.5	0	0	0	0	110.3	G72 K73 F75 M91 K134 Y136	G72-V93 CarbonylContact C-O 3.37Å; G72-V93 WeakPolarHBondContact CA-O 3.41Å; K73-V93 PolarHBondContact N-O 2.91Å; K73-V93 PolarHBondContact O-N 3.43Å; F75-V93 HydrophobicContact CD2-CG2 3.77Å; F75-V93 HydrophobicContact CE2-CB 4.21Å; F75-V93 HydrophobicContact CE2-CG2 3.73Å; M91-V93 HydrophobicContact CG-CG2 3.6Å; M91-V93 HydrophobicContact SD-CG2 3.74Å; V93-K134 HydrophobicContact CG1-CB 4.45Å; V93-K134 HydrophobicContact CG1-CD 4.01Å; V93-K134 HydrophobicContact CG1-CG 4.45Å; V93-Y136 HydrophobicContact CB-CD1 4.33Å; V93-Y136 HydrophobicContact CB-CE1 4.3Å; V93-Y136 HydrophobicContact CG1-CD1 4.03Å; V93-Y136 HydrophobicContact CG1-CE1 3.63Å; V93-Y136 HydrophobicContact CG2-CD1 3.62Å; V93-Y136 HydrophobicContact CG2-CE1 3.7Å
94	L	86.4	Confident	84.9	Confident	13 Å²	13	48.5 Å²	48.5	7%	0.068	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	139.8	177	-52.4	92.3	0	0	0	111.6	K92 L99 T107 K134 V135	K92-L94 HydrophobicContact CD-CD1 4.36Å; K92-L94 HydrophobicContact CG-CD1 4.05Å; L94-L99 HydrophobicContact CB-CD1 4.19Å; L94-L99 HydrophobicContact CD2-CD2 4.23Å; L94-T107 HydrophobicContact CD1-CG2 4.13Å; L94-T107 HydrophobicContact CD2-CG2 4.46Å; L94-K134 VanDerWaalsContact O-CA 3.26Å; L94-K134 WeakPolarHBondContact O-CA 3.44Å; L94-V135 HydrophobicContact CB-CG2 3.85Å; L94-V135 HydrophobicContact CD1-CG2 4.1Å; L94-V135 PolarHBondContact N-O 2.84Å; L94-V135 PolarHBondContact O-N 3.46Å
95	K	84	Confident	84.5	Confident	64 Å²	64	52.3 Å²	52.3	28%	0.278	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	113.2	179.9	-67.8	177.7	178.9	-172	0	110.5	F71 A97 V98 L99 K134 S363 C365	F71-K95 PolarHBondContact O-N 3.15Å; K95-A97 PolarHBondContact O-N 3.47Å; K95-A97 VanDerWaalsContact O-N 3.14Å; K95-V98 HydrophobicContact CB-CG1 4.43Å; K95-V98 HydrophobicContact CB-CG2 3.97Å; K95-V98 WeakPolarHBondContact O-CG2 3.48Å; K95-V98 PolarHBondContact O-N 3.46Å; K95-V98 VanDerWaalsContact O-N 3.15Å; K95-L99 PolarHBondContact O-N 2.98Å; K95-K134 HydrophobicContact CG-CG 4.42Å; K95-S363 WeakPolarHBondContact CE-OG 3.35Å; K95-S363 PolarHBondContact NZ-OG 3.27Å; K95-C365 HydrophobicContact CD-CB 4.32Å; K95-C365 HydrophobicContact CG-CB 4.3Å
96	K	84.4	Confident	83.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-36.8	-176.6	-72.4	178.8	169.4	178.1	0	113.1	R104 T131 G133 K134 V135 A368 H373 F376	K96-R104 PolarHBondContact O-NE 2.81Å; K96-T131 WeakPolarHBondContact CE-O 3.49Å; K96-T131 PolarHBondContact NZ-O 3.15Å; K96-G133 WeakPolarHBondContact CB-O 3.44Å; K96-G133 PolarHBondContact N-O 2.99Å; K96-K134 WeakPolarHBondContact CE-O 3.39Å; K96-V135 HydrophobicContact CD-CG1 4.37Å; K96-V135 VanDerWaalsContact CE-CG1 3.45Å; K96-V135 HydrophobicContact CG-CG1 4.05Å; K96-A368 HydrophobicContact CB-CB 3.58Å; K96-A368 HydrophobicContact CD-CB 4.38Å; K96-H373 PolarHBondContact NZ-ND1 3Å; K96-F376 HydrophobicContact CB-CE2 4.43Å; K96-F376 HydrophobicContact CD-CD2 4.01Å; K96-F376 HydrophobicContact CD-CE2 4.34Å; K96-F376 HydrophobicContact CG-CD2 3.99Å; K96-F376 HydrophobicContact CG-CE2 3.81Å
97	A	76	Confident	83.6	Confident	48 Å²	48	47.1 Å²	47.1	40%	0.397	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-31.9	-178	0	0	0	0	0	114.1	K95	K95-A97 PolarHBondContact O-N 3.47Å; K95-A97 VanDerWaalsContact O-N 3.14Å
98	V	74.8	Confident	83.2	Confident	75 Å²	75	46.8 Å²	46.8	46%	0.455	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-17.3	-178.8	-49.5	0	0	0	0	113.3	F71 K95	F71-V98 HydrophobicContact CB-CG2 4.24Å; F71-V98 HydrophobicContact CD1-CG2 4.17Å; K95-V98 HydrophobicContact CB-CG1 4.43Å; K95-V98 HydrophobicContact CB-CG2 3.97Å; K95-V98 WeakPolarHBondContact O-CG2 3.48Å; K95-V98 PolarHBondContact O-N 3.46Å; K95-V98 VanDerWaalsContact O-N 3.15Å
99	L	71.6	Confident	82.8	Confident	3 Å²	3	47.9 Å²	47.9	2%	0.016	23%	0.232	C	C	.	.			trans	-70.8	128.2	175.7	-65.7	173	0	0	0	110.3	F71 L94 K95 D103 R104 F376	F71-L99 HydrophobicContact CB-CD2 3.64Å; F71-L99 HydrophobicContact CD1-CD2 4.34Å; F71-L99 HydrophobicContact CD2-CD2 4.04Å; F71-L99 HydrophobicContact CG-CD2 3.75Å; L94-L99 HydrophobicContact CB-CD1 4.19Å; L94-L99 HydrophobicContact CD2-CD2 4.23Å; K95-L99 PolarHBondContact O-N 2.98Å; L99-D103 HydrophobicContact CB-CB 4.37Å; L99-D103 HydrophobicContact CD2-CB 3.87Å; L99-R104 HydrophobicContact CB-CG 3.61Å; L99-R104 HydrophobicContact CD1-CG 4.3Å; L99-R104 PolarHBondContact O-NE 3.26Å; L99-R104 PolarHBondContact O-NH2 2.86Å; L99-F376 HydrophobicContact CD1-CZ 4.01Å
100	K	77.1	Confident	82.5	Confident	145 Å²	145	47.6 Å²	47.6	63%	0.63	23%	0.231	S	C	*	.			trans	-74.9	163.6	168.1	-60.9	177.1	178.2	179.5	0	109.6	R102 D103 R104	K100-R102 VanDerWaalsContact C-N 3.27Å; K100-R102 PolarHBondContact O-N 3.29Å; K100-R102 VanDerWaalsContact O-N 3.17Å; K100-D103 WeakPolarHBondContact CB-OD2 3.35Å; K100-D103 WeakPolarHBondContact O-CA 3.44Å; K100-D103 PolarHBondContact O-N 3.49Å; K100-R104 PolarHBondContact O-N 3.09Å
101	V	75.5	Confident	82.4	Confident	86 Å²	86	48.2 Å²	48.2	52%	0.521	23%	0.231	S	C	.	.	H	α-helix	trans	-50.4	-45.5	-177.4	179.7	0	0	0	0	112.5	D103 R104 L105 L375	V101-D103 VanDerWaalsContact C-N 3.32Å; V101-D103 PolarHBondContact O-N 3.34Å; V101-R104 PolarHBondContact O-N 2.82Å; V101-L105 HydrophobicContact CG1-CD1 4.36Å; V101-L105 WeakPolarHBondContact O-CG 3.38Å; V101-L105 PolarHBondContact O-N 3.48Å; V101-L105 VanDerWaalsContact O-N 3.08Å; V101-L375 HydrophobicContact CG1-CD1 4.41Å
102	R	75.4	Confident	82.1	Confident	198 Å²	198	49.4 Å²	49.4	75%	0.747	24%	0.238	S	C	*	.	H	α-helix	trans	-62.1	-36.6	176.7	-69.2	-175.7	177.7	176.6	-0.5	113.3	K100 R106	K100-R102 VanDerWaalsContact C-N 3.27Å; K100-R102 PolarHBondContact O-N 3.29Å; K100-R102 VanDerWaalsContact O-N 3.17Å; R102-R106 VanDerWaalsContact O-CG 3.27Å; R102-R106 WeakPolarHBondContact O-CG 3.36Å; R102-R106 PolarHBondContact O-N 2.89Å
103	D	75.4	Confident	82	Confident	20 Å²	20	48.2 Å²	48.2	11%	0.107	23%	0.232	C	C	.	.	H	α-helix	trans	-77.4	-30.1	-179.2	-51.8	-48.5	0	0	0	111.4	L99 K100 V101 R106 T107	L99-D103 HydrophobicContact CB-CB 4.37Å; L99-D103 HydrophobicContact CD2-CB 3.87Å; K100-D103 WeakPolarHBondContact CB-OD2 3.35Å; K100-D103 WeakPolarHBondContact O-CA 3.44Å; K100-D103 PolarHBondContact O-N 3.49Å; V101-D103 VanDerWaalsContact C-N 3.32Å; V101-D103 PolarHBondContact O-N 3.34Å; D103-R106 WeakPolarHBondContact O-CB 3.49Å; D103-R106 PolarHBondContact O-N 3.17Å; D103-R106 IonicContact OD1-CZ 2.96Å; D103-R106 IonicContact OD1-NH1 2.72Å; D103-R106 PolarHBondContact OD1-NH1 3.25Å; D103-T107 PolarHBondContact O-N 3.18Å; D103-T107 PolarHBondContact O-OG1 2.73Å; D103-T107 VanDerWaalsContact O-OG1 3.09Å
104	R	80.9	Confident	82	Confident	30 Å²	30	48 Å²	48	11%	0.113	23%	0.232	C	C	.	.	H	α-helix	trans	-64.3	-46.2	169.3	-61	176.5	-168	151	3.2	111.9	K96 L99 K100 V101 R106 T107 K108 A372 L375 F376	K96-R104 PolarHBondContact O-NE 2.81Å; L99-R104 HydrophobicContact CB-CG 3.61Å; L99-R104 HydrophobicContact CD1-CG 4.3Å; L99-R104 PolarHBondContact O-NE 3.26Å; L99-R104 PolarHBondContact O-NH2 2.86Å; K100-R104 PolarHBondContact O-N 3.09Å; V101-R104 PolarHBondContact O-N 2.82Å; R104-R106 VanDerWaalsContact C-N 3.32Å; R104-R106 PolarHBondContact O-N 3.43Å; R104-T107 PolarHBondContact O-N 2.95Å; R104-K108 PolarHBondContact O-N 3.14Å; R104-A372 VanDerWaalsContact NH1-CB 3.25Å; R104-L375 HydrophobicContact CB-CD1 4.3Å; R104-F376 HydrophobicContact CB-CE1 4.42Å; R104-F376 HydrophobicContact CB-CE2 4.01Å; R104-F376 HydrophobicContact CB-CZ 3.66Å; R104-F376 HydrophobicContact CG-CE2 3.81Å; R104-F376 HydrophobicContact CG-CZ 3.78Å
105	L	79.9	Confident	82.1	Confident	95 Å²	95	49.2 Å²	49.2	50%	0.497	24%	0.239	S	C	.	.	H	α-helix	trans	-60.4	-42.3	175.7	-69.4	171.2	0	0	0	111.4	V101 K108 L109 L375	V101-L105 HydrophobicContact CG1-CD1 4.36Å; V101-L105 WeakPolarHBondContact O-CG 3.38Å; V101-L105 PolarHBondContact O-N 3.48Å; V101-L105 VanDerWaalsContact O-N 3.08Å; L105-K108 PolarHBondContact O-N 3.26Å; L105-L109 WeakPolarHBondContact O-CB 3.35Å; L105-L109 PolarHBondContact O-N 2.87Å; L105-L375 HydrophobicContact CD2-CD2 4.2Å
106	R	79.5	Confident	82.3	Confident	75 Å²	75	53.7 Å²	53.7	28%	0.283	25%	0.254	S	S	.	.	H	α-helix	trans	-58.8	-46.6	173.1	-78.3	170.7	171.9	158	-9.5	113.1	R102 D103 R104 K108 L109 E110 G205	R102-R106 VanDerWaalsContact O-CG 3.27Å; R102-R106 WeakPolarHBondContact O-CG 3.36Å; R102-R106 PolarHBondContact O-N 2.89Å; D103-R106 WeakPolarHBondContact O-CB 3.49Å; D103-R106 PolarHBondContact O-N 3.17Å; D103-R106 IonicContact OD1-CZ 2.96Å; D103-R106 IonicContact OD1-NH1 2.72Å; D103-R106 PolarHBondContact OD1-NH1 3.25Å; R104-R106 VanDerWaalsContact C-N 3.32Å; R104-R106 PolarHBondContact O-N 3.43Å; R106-K108 VanDerWaalsContact C-N 3.34Å; R106-K108 PolarHBondContact O-N 3.14Å; R106-L109 PolarHBondContact O-N 2.77Å; R106-E110 WeakPolarHBondContact O-CB 3.36Å; R106-E110 PolarHBondContact O-N 3.5Å; R106-G205 VanDerWaalsContact CB-O 3.23Å; R106-G205 WeakPolarHBondContact CB-O 3.28Å; R106-G205 WeakPolarHBondContact CD-O 3.45Å; R106-G205 WeakPolarHBondContact CG-O 3.39Å
107	T	83.4	Confident	82.6	Confident	6 Å²	6	53.9 Å²	53.9	4%	0.037	26%	0.255	C	S	.	.	H	α-helix	trans	-67	-33.8	178	-56.8	0	0	0	0	112.5	L94 D103 R104 R111 V135 F376 F379	L94-T107 HydrophobicContact CD1-CG2 4.13Å; L94-T107 HydrophobicContact CD2-CG2 4.46Å; D103-T107 PolarHBondContact O-N 3.18Å; D103-T107 PolarHBondContact O-OG1 2.73Å; D103-T107 VanDerWaalsContact O-OG1 3.09Å; R104-T107 PolarHBondContact O-N 2.95Å; T107-R111 PolarHBondContact O-N 3.34Å; T107-V135 HydrophobicContact CG2-CG2 3.86Å; T107-F376 HydrophobicContact CG2-CE1 4.35Å; T107-F379 HydrophobicContact CG2-CE2 4.1Å; T107-F379 HydrophobicContact CG2-CZ 4.23Å
108	K	85.5	Confident	83.4	Confident	50 Å²	50	56 Å²	56	22%	0.217	26%	0.256	C	S	.	.	H	α-helix	trans	-66	-46.6	171.1	-173.7	170	179.3	165.9	0	110.9	R104 L105 R106 E110 R111 D112 L375 R377	R104-K108 PolarHBondContact O-N 3.14Å; L105-K108 PolarHBondContact O-N 3.26Å; R106-K108 VanDerWaalsContact C-N 3.34Å; R106-K108 PolarHBondContact O-N 3.14Å; K108-E110 PolarHBondContact O-N 3.18Å; K108-R111 WeakPolarHBondContact O-CB 2.41Å; K108-R111 PolarHBondContact O-N 3.04Å; K108-D112 PolarHBondContact O-N 3.11Å; K108-L375 WeakPolarHBondContact CD-O 3.35Å; K108-R377 PolarHBondContact NZ-O 3.07Å; K108-R377 VanDerWaalsContact NZ-O 3.1Å
109	L	83.8	Confident	84.3	Confident	41 Å²	41	53.6 Å²	53.6	22%	0.215	24%	0.239	C	C	.	.	H	α-helix	trans	-64	-39.6	178.7	-176	61.3	0	0	0	113.1	L105 R106 R111 D112 I113 S207	L105-L109 WeakPolarHBondContact O-CB 3.35Å; L105-L109 PolarHBondContact O-N 2.87Å; R106-L109 PolarHBondContact O-N 2.77Å; L109-R111 VanDerWaalsContact C-N 3.3Å; L109-R111 PolarHBondContact O-N 2.92Å; L109-D112 PolarHBondContact O-N 3.49Å; L109-I113 HydrophobicContact CD1-CD1 4.02Å; L109-I113 HydrophobicContact CD1-CG1 4.12Å; L109-I113 HydrophobicContact CG-CD1 3.85Å; L109-I113 HydrophobicContact CG-CG1 4.37Å; L109-I113 WeakPolarHBondContact O-CB 3.41Å; L109-I113 WeakPolarHBondContact O-CG1 3.32Å; L109-I113 PolarHBondContact O-N 3.06Å; L109-S207 WeakPolarHBondContact CD2-O 3.22Å
110	E	88.7	Confident	85.5	Confident	3 Å²	3	56.1 Å²	56.1	1%	0.014	26%	0.256	C	S	.	.	H	α-helix	trans	-55	-47	171.7	169.9	169.9	-148.7	0	0	110.9	K92 R106 K108 L114 L137 F204	K92-E110 IonicContact NZ-OE1 2.65Å; K92-E110 PolarHBondContact NZ-OE1 2.99Å; K92-E110 IonicContact NZ-OE2 2.66Å; K92-E110 PolarHBondContact NZ-OE2 2.85Å; R106-E110 WeakPolarHBondContact O-CB 3.36Å; R106-E110 PolarHBondContact O-N 3.5Å; K108-E110 PolarHBondContact O-N 3.18Å; E110-L114 HydrophobicContact CG-CD1 3.87Å; E110-L114 WeakPolarHBondContact O-CB 3.36Å; E110-L114 WeakPolarHBondContact O-CD1 3.4Å; E110-L114 VanDerWaalsContact O-CG 3.26Å; E110-L114 WeakPolarHBondContact O-CG 3.1Å; E110-L114 PolarHBondContact O-N 3.48Å; E110-L114 VanDerWaalsContact O-N 3.08Å; E110-L137 HydrophobicContact CG-CD1 3.99Å; E110-F204 HydrophobicContact CB-CB 4.45Å; E110-F204 HydrophobicContact CG-CB 4.15Å; E110-F204 PolarHBondContact OE1-N 3.3Å
111	R	89.9	Confident	86.4	Confident	24 Å²	24	49.4 Å²	49.4	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-61	-53.9	174.5	-169	-71.1	-57.8	-122.3	2.1	110.4	T107 K108 L109 I113 L114 T115 L125 A128 L137 E378 F379	T107-R111 PolarHBondContact O-N 3.34Å; K108-R111 WeakPolarHBondContact O-CB 2.41Å; K108-R111 PolarHBondContact O-N 3.04Å; L109-R111 VanDerWaalsContact C-N 3.3Å; L109-R111 PolarHBondContact O-N 2.92Å; R111-I113 VanDerWaalsContact C-N 3.32Å; R111-I113 PolarHBondContact O-N 2.96Å; R111-L114 PolarHBondContact O-N 2.9Å; R111-T115 WeakPolarHBondContact O-CG2 3.35Å; R111-T115 PolarHBondContact O-N 2.8Å; R111-T115 PolarHBondContact O-OG1 3.1Å; R111-L125 HydrophobicContact CG-CD2 4.24Å; R111-A128 HydrophobicContact CG-CB 3.75Å; R111-L137 HydrophobicContact CB-CD2 3.98Å; R111-L137 HydrophobicContact CG-CD2 3.83Å; R111-E378 VanDerWaalsContact CZ-O 3.24Å; R111-E378 PolarHBondContact NH1-O 3.25Å; R111-E378 PolarHBondContact NH2-O 2.65Å; R111-F379 HydrophobicContact CB-CD2 4.27Å; R111-F379 HydrophobicContact CB-CE2 3.74Å; R111-F379 HydrophobicContact CB-CZ 4.26Å; R111-F379 HydrophobicContact CG-CD2 4.21Å; R111-F379 HydrophobicContact CG-CE2 3.94Å; R111-F379 HydrophobicContact CG-CZ 4.2Å; R111-F379 VanDerWaalsContact NH1-C 3.3Å; R111-F379 PolarHBondContact NH1-O 2.99Å
112	D	89.1	Confident	87.4	Confident	30 Å²	30	45.5 Å²	45.5	16%	0.16	20%	0.203	C	C	.	.	H	α-helix	trans	-58.5	-42.8	-174.9	-61.6	-13.4	0	0	0	111.6	K108 L109 T115 R116	K108-D112 PolarHBondContact O-N 3.11Å; L109-D112 PolarHBondContact O-N 3.49Å; D112-T115 PolarHBondContact O-N 3.22Å; D112-T115 PolarHBondContact O-OG1 3.05Å; D112-R116 WeakPolarHBondContact O-CG 3.14Å
113	I	88.9	Confident	88.3	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	17%	0.168	C	C	.	.	H	α-helix	trans	-60.5	-55.8	173.7	-74.4	171	0	0	0	110.5	L109 R111 T115 R116 I117 I181 F204	L109-I113 HydrophobicContact CD1-CD1 4.02Å; L109-I113 HydrophobicContact CD1-CG1 4.12Å; L109-I113 HydrophobicContact CG-CD1 3.85Å; L109-I113 HydrophobicContact CG-CG1 4.37Å; L109-I113 WeakPolarHBondContact O-CB 3.41Å; L109-I113 WeakPolarHBondContact O-CG1 3.32Å; L109-I113 PolarHBondContact O-N 3.06Å; R111-I113 VanDerWaalsContact C-N 3.32Å; R111-I113 PolarHBondContact O-N 2.96Å; I113-T115 PolarHBondContact O-N 3.19Å; I113-T115 VanDerWaalsContact O-N 3.14Å; I113-R116 PolarHBondContact O-N 2.71Å; I113-I117 HydrophobicContact CG2-CD1 3.64Å; I113-I117 HydrophobicContact CG2-CG1 4.38Å; I113-I117 WeakPolarHBondContact O-CG1 3.19Å; I113-I117 PolarHBondContact O-N 2.85Å; I113-I181 HydrophobicContact CD1-CG2 4.01Å; I113-I181 HydrophobicContact CG1-CD1 4.21Å; I113-I181 HydrophobicContact CG2-CD1 4.03Å; I113-F204 HydrophobicContact CG2-CB 4.42Å; I113-F204 HydrophobicContact CG2-CD1 3.83Å; I113-F204 HydrophobicContact CG2-CE1 4.48Å; I113-F204 HydrophobicContact CG2-CG 4.26Å
114	L	91.1	Very high	89.2	Confident	2 Å²	2	37.4 Å²	37.4	1%	0.01	18%	0.175	C	C	.	.	H	α-helix	trans	-64	-18.4	-176.4	-74.3	169.9	0	0	0	114.3	E110 R111 I117 V123 L125 L139 F204	E110-L114 HydrophobicContact CG-CD1 3.87Å; E110-L114 WeakPolarHBondContact O-CB 3.36Å; E110-L114 WeakPolarHBondContact O-CD1 3.4Å; E110-L114 VanDerWaalsContact O-CG 3.26Å; E110-L114 WeakPolarHBondContact O-CG 3.1Å; E110-L114 PolarHBondContact O-N 3.48Å; E110-L114 VanDerWaalsContact O-N 3.08Å; R111-L114 PolarHBondContact O-N 2.9Å; L114-I117 HydrophobicContact CD2-CD1 4.32Å; L114-V123 HydrophobicContact CD2-CG1 3.93Å; L114-V123 WeakPolarHBondContact CD2-O 3.22Å; L114-L125 HydrophobicContact CB-CB 3.76Å; L114-L125 HydrophobicContact CB-CD2 3.86Å; L114-L125 HydrophobicContact CB-CG 4.41Å; L114-L139 HydrophobicContact CD1-CD2 3.93Å; L114-F204 HydrophobicContact CD1-CD2 4.42Å; L114-F204 HydrophobicContact CD2-CD2 3.68Å; L114-F204 HydrophobicContact CD2-CE2 3.92Å; L114-F204 HydrophobicContact CD2-CG 4.37Å; L114-F204 HydrophobicContact CG-CD2 4.12Å; L114-F204 HydrophobicContact CG-CG 4.45Å
115	T	90.1	Very high	89.8	Confident	37 Å²	37	36 Å²	36	23%	0.227	17%	0.169	C	C	.	.	H	α-helix	trans	-78.5	-20.7	171.3	56.3	0	0	0	0	114.4	R111 D112 I113 L125 Y381	R111-T115 WeakPolarHBondContact O-CG2 3.35Å; R111-T115 PolarHBondContact O-N 2.8Å; R111-T115 PolarHBondContact O-OG1 3.1Å; D112-T115 PolarHBondContact O-N 3.22Å; D112-T115 PolarHBondContact O-OG1 3.05Å; I113-T115 PolarHBondContact O-N 3.19Å; I113-T115 VanDerWaalsContact O-N 3.14Å; T115-L125 HydrophobicContact CG2-CD2 3.9Å; T115-Y381 HydrophobicContact CG2-CD1 3.72Å; T115-Y381 HydrophobicContact CG2-CD2 3.47Å; T115-Y381 VanDerWaalsContact CG2-CD2 3.47Å; T115-Y381 HydrophobicContact CG2-CE1 3.78Å; T115-Y381 HydrophobicContact CG2-CE2 3.54Å; T115-Y381 HydrophobicContact CG2-CG 3.54Å
116	R	88.3	Confident	90.4	Very high	159 Å²	159	33.3 Å²	33.3	60%	0.6	15%	0.154	S	C	*	.	H	α-helix	trans	-103.4	-29	-173.6	-64.6	173.1	-172.6	165.5	4	113.3	D112 I113 E209	D112-R116 WeakPolarHBondContact O-CG 3.14Å; I113-R116 PolarHBondContact O-N 2.71Å; R116-E209 IonicContact CZ-OE1 2.82Å; R116-E209 IonicContact NH1-OE1 2.72Å; R116-E209 PolarHBondContact NH1-OE1 3.1Å
117	I	90.3	Very high	91	Very high	3 Å²	3	29.8 Å²	29.8	2%	0.015	14%	0.141	C	C	.	.			trans	-90.4	139.5	-177	64.3	-177.4	0	0	0	112.2	I113 L114 I122 Y175 L176 I181 F204	I113-I117 HydrophobicContact CG2-CD1 3.64Å; I113-I117 HydrophobicContact CG2-CG1 4.38Å; I113-I117 WeakPolarHBondContact O-CG1 3.19Å; I113-I117 PolarHBondContact O-N 2.85Å; L114-I117 HydrophobicContact CD2-CD1 4.32Å; I117-I122 HydrophobicContact CD1-CD1 4.23Å; I117-I122 HydrophobicContact CD1-CG2 3.7Å; I117-I122 HydrophobicContact CG1-CG2 4.33Å; I117-Y175 HydrophobicContact CB-CE1 3.84Å; I117-Y175 HydrophobicContact CG2-CE1 3.99Å; I117-L176 HydrophobicContact CD1-CD2 3.83Å; I117-L176 HydrophobicContact CG2-CD2 4.32Å; I117-I181 HydrophobicContact CG2-CD1 3.9Å; I117-F204 HydrophobicContact CD1-CD1 4.47Å; I117-F204 HydrophobicContact CD1-CE1 4Å; I117-F204 HydrophobicContact CD1-CZ 4.11Å
118	K	91.7	Very high	91.4	Very high	93 Å²	93	29.6 Å²	29.6	40%	0.404	14%	0.14	S	C	.	.			trans	-142.1	111.6	171.5	-71.9	-64.6	173.8	-175.1	0	109.5	D124 Y175	K118-D124 VanDerWaalsContact CD-OD1 3.3Å; K118-D124 WeakPolarHBondContact CD-OD1 3.5Å; K118-D124 IonicContact NZ-OD1 2.69Å; K118-D124 PolarHBondContact NZ-OD1 3.41Å; K118-D124 IonicContact NZ-OD2 3.64Å; K118-D124 PolarHBondContact NZ-OD2 3.21Å; K118-Y175 PolarHBondContact N-OH 3.1Å; K118-Y175 PolarHBondContact O-OH 2.76Å; K118-Y175 VanDerWaalsContact O-OH 3.13Å
119	H	94.9	Very high	91.7	Very high	24 Å²	24	27.6 Å²	27.6	11%	0.111	13%	0.131	C	C	.	.			trans	-152.3	138.1	-175.3	-171.4	-100.8	0	0	0	110	Y121 I122 A172 Y175	H119-Y121 AromaticContact CE1-CD2 3.76Å; H119-Y121 PolarHBondContact ND1-N 3.2Å; H119-Y121 PolarHBondContact O-N 3.12Å; H119-I122 HydrophobicContact CB-CB 4.25Å; H119-I122 HydrophobicContact CB-CD1 3.88Å; H119-I122 HydrophobicContact CB-CG1 4.05Å; H119-I122 PolarHBondContact O-N 3.2Å; H119-I122 VanDerWaalsContact O-N 3.09Å; H119-A172 PolarHBondContact CE1-N 3.39Å; H119-Y175 HydrophobicContact CB-CD1 3.87Å; H119-Y175 HydrophobicContact CB-CD2 4.31Å; H119-Y175 HydrophobicContact CB-CE1 4.06Å; H119-Y175 HydrophobicContact CB-CE2 4.44Å; H119-Y175 HydrophobicContact CB-CG 4.01Å; H119-Y175 AromaticContact CD2-CD2 3.49Å; H119-Y175 VanDerWaalsContact CD2-CD2 3.49Å; H119-Y175 WeakPolarHBondContact CD2-CD2 3.32Å; H119-Y175 AromaticContact CD2-CG 3.49Å; H119-Y175 VanDerWaalsContact CD2-CG 3.49Å; H119-Y175 AromaticContact CG-CG 3.83Å
120	P	95.3	Very high	92	Very high	57 Å²	57	27.8 Å²	27.8	37%	0.37	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-15.3	-175.2	23.7	-35.6	0	0	0	114.7	R200 L330	P120-R200 WeakPolarHBondContact O-CD 3.39Å; P120-R200 PolarHBondContact O-NE 2.94Å; P120-R200 VanDerWaalsContact O-NE 3.13Å; P120-R200 PolarHBondContact O-NH1 3.12Å; P120-R200 PolarHBondContact O-NH2 3.05Å; P120-L330 HydrophobicContact CG-CD1 3.7Å
121	Y	96.9	Very high	92	Very high	4 Å²	4	30 Å²	30	2%	0.016	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.4	21.5	179.7	-57.6	-48.5	0	0	0	114.3	H119 E168 L171 H198 V199 R200 L201 L329	H119-Y121 AromaticContact CE1-CD2 3.76Å; H119-Y121 PolarHBondContact ND1-N 3.2Å; H119-Y121 PolarHBondContact O-N 3.12Å; Y121-E168 HydrophobicContact CD1-CB 3.96Å; Y121-E168 HydrophobicContact CD1-CG 4.31Å; Y121-E168 HydrophobicContact CD2-CB 3.92Å; Y121-E168 WeakPolarHBondContact CD2-O 3.2Å; Y121-E168 HydrophobicContact CE1-CB 3.9Å; Y121-E168 HydrophobicContact CE1-CG 3.74Å; Y121-E168 WeakPolarHBondContact CE1-OE1 3.29Å; Y121-E168 HydrophobicContact CE2-CB 3.87Å; Y121-E168 HydrophobicContact CE2-CG 4.01Å; Y121-E168 HydrophobicContact CG-CB 3.96Å; Y121-E168 PolarHBondContact OH-OE1 3.39Å; Y121-L171 HydrophobicContact CD2-CB 4.08Å; Y121-L171 HydrophobicContact CD2-CD1 4.36Å; Y121-L171 HydrophobicContact CE2-CB 4.38Å; Y121-L171 HydrophobicContact CE2-CD1 3.81Å; Y121-H198 HydrophobicContact CE1-CB 4.33Å; Y121-V199 HydrophobicContact CD1-CG2 4.04Å; Y121-V199 HydrophobicContact CG-CG2 4.26Å; Y121-R200 WeakPolarHBondContact O-CA 3.43Å; Y121-L201 PolarHBondContact O-N 3.05Å; Y121-L329 WeakPolarHBondContact OH-CG 3.23Å; Y121-L329 PolarHBondContact OH-O 3.33Å
122	I	96.3	Very high	91.6	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-129.3	142	177.1	-62.8	178.9	0	0	0	109.3	I117 H119 A172 Y175 L176 F204	I117-I122 HydrophobicContact CD1-CD1 4.23Å; I117-I122 HydrophobicContact CD1-CG2 3.7Å; I117-I122 HydrophobicContact CG1-CG2 4.33Å; H119-I122 HydrophobicContact CB-CB 4.25Å; H119-I122 HydrophobicContact CB-CD1 3.88Å; H119-I122 HydrophobicContact CB-CG1 4.05Å; H119-I122 PolarHBondContact O-N 3.2Å; H119-I122 VanDerWaalsContact O-N 3.09Å; I122-A172 HydrophobicContact CD1-CB 4.46Å; I122-A172 HydrophobicContact CG1-CB 4.03Å; I122-Y175 HydrophobicContact CD1-CD1 4.06Å; I122-L176 HydrophobicContact CD1-CD1 4.06Å; I122-L176 HydrophobicContact CD1-CD2 3.88Å; I122-L176 HydrophobicContact CD1-CG 3.76Å; I122-F204 HydrophobicContact CG1-CZ 4.49Å; I122-F204 HydrophobicContact CG2-CE2 3.72Å; I122-F204 HydrophobicContact CG2-CZ 3.47Å; I122-F204 VanDerWaalsContact CG2-CZ 3.47Å
123	V	94.8	Very high	91.3	Very high	3 Å²	3	34.1 Å²	34.1	2%	0.018	17%	0.166	C	C	.	.	P	Polyproline II helix	trans	-63.2	132.5	-179.6	73.3	0	0	0	0	112.1	L114 L139 E140 L142 L201 F204	L114-V123 HydrophobicContact CD2-CG1 3.93Å; L114-V123 WeakPolarHBondContact CD2-O 3.22Å; V123-L139 HydrophobicContact CG1-CD2 4.32Å; V123-L139 HydrophobicContact CG2-CB 4.09Å; V123-L139 HydrophobicContact CG2-CD2 4.47Å; V123-E140 WeakPolarHBondContact CA-OE1 3.45Å; V123-E140 HydrophobicContact CG2-CG 3.62Å; V123-L142 HydrophobicContact CG2-CD1 4.17Å; V123-L201 WeakPolarHBondContact CB-O 3.12Å; V123-L201 WeakPolarHBondContact CG1-O 3.36Å; V123-L201 PolarHBondContact N-O 3.08Å; V123-F204 HydrophobicContact CG1-CE2 4.24Å
124	D	93.8	Very high	91.3	Very high	45 Å²	45	34.8 Å²	34.8	24%	0.241	17%	0.168	C	C	.	.	P	Polyproline II helix	trans	-83.1	132	177.7	-109.2	7.6	0	0	0	113.6	K118 L139 E140	K118-D124 VanDerWaalsContact CD-OD1 3.3Å; K118-D124 WeakPolarHBondContact CD-OD1 3.5Å; K118-D124 IonicContact NZ-OD1 2.69Å; K118-D124 PolarHBondContact NZ-OD1 3.41Å; K118-D124 IonicContact NZ-OD2 3.64Å; K118-D124 PolarHBondContact NZ-OD2 3.21Å; D124-L139 CarbonylContact O-C 3.47Å; D124-L139 VanDerWaalsContact O-CA 3.26Å; D124-L139 WeakPolarHBondContact O-CA 3.45Å; D124-E140 HydrophobicContact CB-CB 4.35Å; D124-E140 HydrophobicContact CB-CG 4.22Å; D124-E140 PolarHBondContact N-OE1 2.4Å; D124-E140 PolarHBondContact O-N 3.04Å
125	L	94	Very high	91.3	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	119.5	168.3	179.8	73.1	0	0	0	110.5	R111 L114 T115 Y127 L137 L139 Y381	R111-L125 HydrophobicContact CG-CD2 4.24Å; L114-L125 HydrophobicContact CB-CB 3.76Å; L114-L125 HydrophobicContact CB-CD2 3.86Å; L114-L125 HydrophobicContact CB-CG 4.41Å; T115-L125 HydrophobicContact CG2-CD2 3.9Å; L125-Y127 WeakPolarHBondContact CD1-O 3.37Å; L125-L137 HydrophobicContact CD1-CB 3.98Å; L125-L137 HydrophobicContact CD1-CD2 3.9Å; L125-L137 HydrophobicContact CD2-CD2 4.4Å; L125-L139 HydrophobicContact CB-CD2 4.14Å; L125-L139 HydrophobicContact CD1-CD2 3.8Å; L125-Y381 HydrophobicContact CD2-CD1 4.09Å; L125-Y381 HydrophobicContact CD2-CE1 4.28Å; L125-Y381 HydrophobicContact CG-CD1 4.31Å; L125-Y381 HydrophobicContact CG-CE1 4.31Å
126	H	91.9	Very high	91.4	Very high	37 Å²	37	33.2 Å²	33.2	17%	0.171	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-41.4	179.2	-73.1	-94.4	0	0	0	112.8	Y89 I138 A383 F386	Y89-H126 HydrophobicContact CE1-CB 4.02Å; Y89-H126 AromaticContact CE1-CD2 3.5Å; Y89-H126 VanDerWaalsContact CE1-CD2 3.5Å; Y89-H126 WeakPolarHBondContact CE1-CD2 3.26Å; Y89-H126 AromaticContact CE1-CG 3.52Å; Y89-H126 AromaticContact CE1-ND1 3.87Å; Y89-H126 AromaticContact CE1-NE2 3.81Å; H126-I138 PolarHBondContact N-O 3.01Å; H126-A383 WeakPolarHBondContact O-CB 3.48Å; H126-A383 PolarHBondContact O-N 2.73Å; H126-F386 HydrophobicContact CB-CE2 4.18Å; H126-F386 HydrophobicContact CB-CZ 4.4Å; H126-F386 AromaticContact ND1-CE2 3.83Å; H126-F386 AromaticContact ND1-CZ 3.49Å; H126-F386 WeakPolarHBondContact ND1-CZ 3.42Å
127	Y	93	Very high	91.6	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	146.4	-179.9	-52	-89.1	0	0	0	111.1	V55 F60 K79 D84 Y89 L125 I138 Y381 V382 F386	V55-Y127 HydrophobicContact CB-CD1 4.28Å; V55-Y127 HydrophobicContact CG1-CD1 4.2Å; V55-Y127 HydrophobicContact CG1-CG 4.43Å; V55-Y127 HydrophobicContact CG2-CD1 3.76Å; V55-Y127 HydrophobicContact CG2-CE1 3.79Å; F60-Y127 HydrophobicContact CZ-CD2 4.08Å; F60-Y127 HydrophobicContact CZ-CE2 4.45Å; K79-Y127 HydrophobicContact CD-CE2 4.15Å; K79-Y127 WeakPolarHBondContact CE-OH 3.45Å; K79-Y127 PolarHBondContact NZ-OH 3.13Å; D84-Y127 VanDerWaalsContact CG-OH 3.23Å; D84-Y127 PolarHBondContact OD1-OH 3.39Å; D84-Y127 PolarHBondContact OD2-OH 3.24Å; Y89-Y127 HydrophobicContact CE2-CE2 4.41Å; L125-Y127 WeakPolarHBondContact CD1-O 3.37Å; Y127-I138 HydrophobicContact CD2-CB 4.06Å; Y127-I138 HydrophobicContact CD2-CG1 4.44Å; Y127-I138 HydrophobicContact CD2-CG2 3.95Å; Y127-I138 HydrophobicContact CG-CB 4.45Å; Y127-I138 PolarHBondContact N-O 3.07Å; Y127-I138 PolarHBondContact O-N 2.96Å; Y127-Y381 WeakPolarHBondContact CA-O 3.47Å; Y127-V382 HydrophobicContact CD1-CB 4.3Å; Y127-V382 HydrophobicContact CD1-CG1 3.98Å; Y127-V382 HydrophobicContact CD1-CG2 4.07Å; Y127-V382 HydrophobicContact CE1-CB 4.49Å; Y127-V382 HydrophobicContact CE1-CG1 3.69Å; Y127-V382 HydrophobicContact CE1-CG2 4.41Å; Y127-F386 HydrophobicContact CE1-CD2 4.25Å; Y127-F386 HydrophobicContact CE1-CE2 4.07Å; Y127-F386 AromaticContact CE2-CE2 3.88Å; Y127-F386 HydrophobicContact CE2-CE2 3.88Å; Y127-F386 HydrophobicContact CE2-CZ 4.03Å; Y127-F386 AromaticContact CZ-CE2 3.5Å; Y127-F386 AromaticContact CZ-CZ 3.85Å; Y127-F386 WeakPolarHBondContact OH-CE2 3.32Å; Y127-F386 WeakPolarHBondContact OH-CZ 3.26Å
128	A	92	Very high	91.8	Very high	2 Å²	2	25.5 Å²	25.5	2%	0.017	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	141.1	161.5	0	0	0	0	0	109.1	R111 Y136 L137 F379 S380 Y381	R111-A128 HydrophobicContact CG-CB 3.75Å; A128-Y136 WeakPolarHBondContact CA-O 3.12Å; A128-L137 HydrophobicContact CB-CD2 3.71Å; A128-F379 HydrophobicContact CB-CD1 4.28Å; A128-F379 HydrophobicContact CB-CE1 3.97Å; A128-F379 WeakPolarHBondContact CB-O 3.38Å; A128-S380 CarbonylContact O-C 3.49Å; A128-S380 VanDerWaalsContact O-CA 3.24Å; A128-S380 WeakPolarHBondContact O-CA 3.22Å; A128-Y381 PolarHBondContact N-O 3.14Å; A128-Y381 PolarHBondContact O-N 2.89Å
129	F	91.9	Very high	91.9	Very high	7 Å²	7	21.5 Å²	21.5	3%	0.031	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	174	175.1	54.2	-94.3	0	0	0	111	V55 P57 F60 M91 Y136 I138 F379	V55-F129 HydrophobicContact CB-CD1 4.44Å; V55-F129 HydrophobicContact CG1-CD1 3.85Å; V55-F129 HydrophobicContact CG1-CE1 3.77Å; P57-F129 HydrophobicContact CB-CE2 4.46Å; P57-F129 HydrophobicContact CG-CE2 3.85Å; F60-F129 HydrophobicContact CD2-CE1 4.28Å; F60-F129 HydrophobicContact CD2-CZ 4.03Å; F60-F129 AromaticContact CE2-CE1 3.56Å; F60-F129 HydrophobicContact CE2-CE1 3.56Å; F60-F129 AromaticContact CE2-CZ 3.78Å; F60-F129 HydrophobicContact CE2-CZ 3.78Å; F60-F129 HydrophobicContact CZ-CE1 4.31Å; M91-F129 HydrophobicContact CE-CZ 4.28Å; F129-Y136 AromaticContact CD2-CD2 3.7Å; F129-Y136 HydrophobicContact CD2-CD2 3.7Å; F129-Y136 AromaticContact CD2-CG 3.75Å; F129-Y136 HydrophobicContact CD2-CG 3.75Å; F129-Y136 VanDerWaalsContact CE2-CB 3.4Å; F129-Y136 AromaticContact CE2-CD1 3.74Å; F129-Y136 HydrophobicContact CE2-CD1 3.74Å; F129-Y136 AromaticContact CE2-CD2 3.63Å; F129-Y136 HydrophobicContact CE2-CD2 3.63Å; F129-Y136 HydrophobicContact CE2-CE1 4.43Å; F129-Y136 HydrophobicContact CE2-CE2 4.32Å; F129-Y136 AromaticContact CE2-CG 3.31Å; F129-Y136 HydrophobicContact CE2-CG 3.31Å; F129-Y136 HydrophobicContact CZ-CD1 4.2Å; F129-Y136 AromaticContact CZ-CG 4Å; F129-Y136 HydrophobicContact CZ-CG 4Å; F129-Y136 PolarHBondContact N-O 2.9Å; F129-Y136 PolarHBondContact O-N 2.92Å; F129-I138 HydrophobicContact CD1-CG1 4.4Å; F129-I138 HydrophobicContact CE1-CD1 3.81Å; F129-I138 HydrophobicContact CE1-CG1 3.58Å; F129-I138 HydrophobicContact CZ-CD1 3.97Å; F129-I138 HydrophobicContact CZ-CG1 4.26Å; F129-F379 WeakPolarHBondContact O-CE1 3.08Å
130	Q	90	Very high	91.8	Very high	45 Å²	45	22.3 Å²	22.3	21%	0.21	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	153.2	-173.9	61.8	-179.5	-39.5	0	0	112	K134 V135 F376 F379	Q130-K134 WeakPolarHBondContact CA-O 3.44Å; Q130-V135 HydrophobicContact CB-CG1 4.08Å; Q130-F376 PolarHBondContact NE2-O 2.99Å; Q130-F376 VanDerWaalsContact OE1-CB 3.25Å; Q130-F376 PolarHBondContact OE1-O 3.34Å; Q130-F379 HydrophobicContact CB-CD1 4.36Å
131	T	86.9	Confident	91.7	Very high	51 Å²	51	20.8 Å²	20.8	31%	0.313	10%	0.103	S	C	.	.			trans	-116.1	-177.7	166.2	61.9	0	0	0	0	108.9	P57 K96 G133 K134 Y136	P57-T131 HydrophobicContact CG-CG2 4.07Å; K96-T131 WeakPolarHBondContact CE-O 3.49Å; K96-T131 PolarHBondContact NZ-O 3.15Å; T131-G133 VanDerWaalsContact C-N 3.26Å; T131-G133 PolarHBondContact O-N 2.79Å; T131-K134 PolarHBondContact N-O 3.4Å; T131-K134 PolarHBondContact OG1-N 2.74Å; T131-Y136 HydrophobicContact CG2-CE2 3.91Å
132	E	83	Confident	91.5	Very high	135 Å²	135	21 Å²	21	63%	0.631	10%	0.104	S	C	*	.	S	Bend	trans	-58.9	-36.9	177.7	-61.6	-173.8	163.3	0	0	113.2	P367 A368	E132-P367 HydrophobicContact CB-CB 4.12Å; E132-A368 PolarHBondContact O-N 3.34Å
133	G	83.2	Confident	91.3	Very high	5 Å²	5	23 Å²	23	5%	0.052	11%	0.112	C	C	.	.	S	Bend	trans	-104.7	-11.7	-176	0	0	0	0	0	116.1	K96 T131	K96-G133 WeakPolarHBondContact CB-O 3.44Å; K96-G133 PolarHBondContact N-O 2.99Å; T131-G133 VanDerWaalsContact C-N 3.26Å; T131-G133 PolarHBondContact O-N 2.79Å
134	K	88.7	Confident	91	Very high	14 Å²	14	23.2 Å²	23.2	6%	0.061	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	161.1	-171.1	-63.8	165.6	-174.3	174.3	0	113.7	V93 L94 K95 K96 Q130 T131 Y136 D362 S363	V93-K134 HydrophobicContact CG1-CB 4.45Å; V93-K134 HydrophobicContact CG1-CD 4.01Å; V93-K134 HydrophobicContact CG1-CG 4.45Å; L94-K134 VanDerWaalsContact O-CA 3.26Å; L94-K134 WeakPolarHBondContact O-CA 3.44Å; K95-K134 HydrophobicContact CG-CG 4.42Å; K96-K134 WeakPolarHBondContact CE-O 3.39Å; Q130-K134 WeakPolarHBondContact CA-O 3.44Å; T131-K134 PolarHBondContact N-O 3.4Å; T131-K134 PolarHBondContact OG1-N 2.74Å; K134-Y136 HydrophobicContact CB-CD2 4.35Å; K134-Y136 HydrophobicContact CB-CE2 3.6Å; K134-Y136 HydrophobicContact CD-CE2 4.29Å; K134-Y136 WeakPolarHBondContact CD-OH 3.16Å; K134-D362 WeakPolarHBondContact CE-OD1 3.37Å; K134-D362 PolarHBondContact NZ-O 3.45Å; K134-D362 IonicContact NZ-OD1 2.66Å; K134-D362 PolarHBondContact NZ-OD1 3.11Å; K134-D362 IonicContact NZ-OD2 3.26Å; K134-D362 PolarHBondContact NZ-OD2 3.19Å; K134-S363 WeakPolarHBondContact CE-O 3.47Å; K134-S363 PolarHBondContact NZ-O 3.26Å
135	V	90	Very high	90.8	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	146.3	167	-65.9	0	0	0	0	109.8	L94 K96 T107 Q130 F376 F379	L94-V135 HydrophobicContact CB-CG2 3.85Å; L94-V135 HydrophobicContact CD1-CG2 4.1Å; L94-V135 PolarHBondContact N-O 2.84Å; L94-V135 PolarHBondContact O-N 3.46Å; K96-V135 HydrophobicContact CD-CG1 4.37Å; K96-V135 VanDerWaalsContact CE-CG1 3.45Å; K96-V135 HydrophobicContact CG-CG1 4.05Å; T107-V135 HydrophobicContact CG2-CG2 3.86Å; Q130-V135 HydrophobicContact CB-CG1 4.08Å; V135-F376 HydrophobicContact CG1-CB 4.47Å; V135-F376 HydrophobicContact CG1-CD1 3.76Å; V135-F376 HydrophobicContact CG1-CD2 4.14Å; V135-F376 HydrophobicContact CG1-CE1 3.91Å; V135-F376 HydrophobicContact CG1-CE2 4.28Å; V135-F376 HydrophobicContact CG1-CG 3.88Å; V135-F376 HydrophobicContact CG1-CZ 4.15Å; V135-F376 HydrophobicContact CG2-CE1 4.46Å; V135-F379 HydrophobicContact CB-CD1 4.3Å; V135-F379 HydrophobicContact CB-CE1 3.72Å; V135-F379 HydrophobicContact CB-CZ 3.85Å; V135-F379 HydrophobicContact CG1-CD1 4.22Å; V135-F379 HydrophobicContact CG1-CE1 4.12Å; V135-F379 HydrophobicContact CG1-CZ 4.33Å; V135-F379 HydrophobicContact CG2-CZ 4.37Å
136	Y	92.2	Very high	90.6	Very high	6 Å²	6	22.9 Å²	22.9	2%	0.024	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	127.7	-172.4	-62.1	-102.5	0	0	0	109.2	P57 M91 K92 V93 A128 F129 T131 K134 D362	P57-Y136 HydrophobicContact CB-CE1 4.48Å; P57-Y136 HydrophobicContact CG-CE1 4.16Å; P57-Y136 HydrophobicContact CG-CE2 4.06Å; M91-Y136 HydrophobicContact CE-CD1 4.48Å; M91-Y136 HydrophobicContact CG-CD1 4.12Å; M91-Y136 HydrophobicContact SD-CD1 3.78Å; M91-Y136 HydrophobicContact SD-CE1 4.11Å; K92-Y136 WeakPolarHBondContact O-CA 3.45Å; V93-Y136 HydrophobicContact CB-CD1 4.33Å; V93-Y136 HydrophobicContact CB-CE1 4.3Å; V93-Y136 HydrophobicContact CG1-CD1 4.03Å; V93-Y136 HydrophobicContact CG1-CE1 3.63Å; V93-Y136 HydrophobicContact CG2-CD1 3.62Å; V93-Y136 HydrophobicContact CG2-CE1 3.7Å; A128-Y136 WeakPolarHBondContact CA-O 3.12Å; F129-Y136 AromaticContact CD2-CD2 3.7Å; F129-Y136 HydrophobicContact CD2-CD2 3.7Å; F129-Y136 AromaticContact CD2-CG 3.75Å; F129-Y136 HydrophobicContact CD2-CG 3.75Å; F129-Y136 VanDerWaalsContact CE2-CB 3.4Å; F129-Y136 AromaticContact CE2-CD1 3.74Å; F129-Y136 HydrophobicContact CE2-CD1 3.74Å; F129-Y136 AromaticContact CE2-CD2 3.63Å; F129-Y136 HydrophobicContact CE2-CD2 3.63Å; F129-Y136 HydrophobicContact CE2-CE1 4.43Å; F129-Y136 HydrophobicContact CE2-CE2 4.32Å; F129-Y136 AromaticContact CE2-CG 3.31Å; F129-Y136 HydrophobicContact CE2-CG 3.31Å; F129-Y136 HydrophobicContact CZ-CD1 4.2Å; F129-Y136 AromaticContact CZ-CG 4Å; F129-Y136 HydrophobicContact CZ-CG 4Å; F129-Y136 PolarHBondContact N-O 2.9Å; F129-Y136 PolarHBondContact O-N 2.92Å; T131-Y136 HydrophobicContact CG2-CE2 3.91Å; K134-Y136 HydrophobicContact CB-CD2 4.35Å; K134-Y136 HydrophobicContact CB-CE2 3.6Å; K134-Y136 HydrophobicContact CD-CE2 4.29Å; K134-Y136 WeakPolarHBondContact CD-OH 3.16Å; Y136-D362 PolarHBondContact OH-OD2 3.45Å
137	L	91.9	Very high	90.4	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	11%	0.105	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.6	168.6	-62.8	173.3	0	0	0	108.1	M91 K92 E110 R111 L125 A128 F379	M91-L137 CarbonylContact C-O 3.48Å; M91-L137 WeakPolarHBondContact CA-O 3.44Å; K92-L137 HydrophobicContact CB-CB 4.31Å; K92-L137 HydrophobicContact CD-CD1 4.39Å; K92-L137 PolarHBondContact N-O 3.41Å; K92-L137 PolarHBondContact O-N 3.41Å; E110-L137 HydrophobicContact CG-CD1 3.99Å; R111-L137 HydrophobicContact CB-CD2 3.98Å; R111-L137 HydrophobicContact CG-CD2 3.83Å; L125-L137 HydrophobicContact CD1-CB 3.98Å; L125-L137 HydrophobicContact CD1-CD2 3.9Å; L125-L137 HydrophobicContact CD2-CD2 4.4Å; A128-L137 HydrophobicContact CB-CD2 3.71Å; L137-F379 HydrophobicContact CD2-CE1 4.1Å; L137-F379 HydrophobicContact CD2-CE2 4.41Å; L137-F379 HydrophobicContact CD2-CZ 3.57Å; L137-F379 HydrophobicContact CG-CZ 4.08Å
138	I	94.5	Very high	90	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	100.5	179.6	-48.9	-56.7	0	0	0	107.8	F60 Y89 M91 H126 Y127 F129	F60-I138 HydrophobicContact CE1-CG1 4.41Å; F60-I138 HydrophobicContact CE1-CG2 3.9Å; F60-I138 HydrophobicContact CE2-CD1 4.28Å; F60-I138 HydrophobicContact CE2-CG1 4.22Å; F60-I138 HydrophobicContact CZ-CD1 4.23Å; F60-I138 HydrophobicContact CZ-CG1 3.89Å; F60-I138 HydrophobicContact CZ-CG2 4.1Å; Y89-I138 VanDerWaalsContact CB-CG2 3.43Å; Y89-I138 HydrophobicContact CD1-CG2 4.03Å; Y89-I138 HydrophobicContact CD2-CG2 3.98Å; Y89-I138 HydrophobicContact CG-CG2 3.55Å; M91-I138 HydrophobicContact CB-CD1 3.78Å; M91-I138 HydrophobicContact CE-CD1 3.69Å; M91-I138 HydrophobicContact CG-CD1 3.56Å; M91-I138 HydrophobicContact SD-CD1 4.45Å; H126-I138 PolarHBondContact N-O 3.01Å; Y127-I138 HydrophobicContact CD2-CB 4.06Å; Y127-I138 HydrophobicContact CD2-CG1 4.44Å; Y127-I138 HydrophobicContact CD2-CG2 3.95Å; Y127-I138 HydrophobicContact CG-CB 4.45Å; Y127-I138 PolarHBondContact N-O 3.07Å; Y127-I138 PolarHBondContact O-N 2.96Å; F129-I138 HydrophobicContact CD1-CG1 4.4Å; F129-I138 HydrophobicContact CE1-CD1 3.81Å; F129-I138 HydrophobicContact CE1-CG1 3.58Å; F129-I138 HydrophobicContact CZ-CD1 3.97Å; F129-I138 HydrophobicContact CZ-CG1 4.26Å
139	L	94	Very high	89.4	Confident	9 Å²	9	23.5 Å²	23.5	5%	0.047	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	158.8	-177.3	-58.2	167.9	0	0	0	110.1	Y89 A90 L114 V123 D124 L125	Y89-L139 WeakPolarHBondContact CA-O 3.33Å; Y89-L139 WeakPolarHBondContact CB-O 3.35Å; Y89-L139 WeakPolarHBondContact CD1-O 3.5Å; A90-L139 HydrophobicContact CB-CB 4.32Å; A90-L139 PolarHBondContact N-O 3.08Å; A90-L139 PolarHBondContact O-N 3.32Å; L114-L139 HydrophobicContact CD1-CD2 3.93Å; V123-L139 HydrophobicContact CG1-CD2 4.32Å; V123-L139 HydrophobicContact CG2-CB 4.09Å; V123-L139 HydrophobicContact CG2-CD2 4.47Å; D124-L139 CarbonylContact O-C 3.47Å; D124-L139 VanDerWaalsContact O-CA 3.26Å; D124-L139 WeakPolarHBondContact O-CA 3.45Å; L125-L139 HydrophobicContact CB-CD2 4.14Å; L125-L139 HydrophobicContact CD1-CD2 3.8Å
140	E	93.5	Very high	88.9	Confident	41 Å²	41	23.9 Å²	23.9	19%	0.192	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.5	148	167.2	65.6	170.8	144.5	0	0	111.5	V123 D124 L142 R200	V123-E140 WeakPolarHBondContact CA-OE1 3.45Å; V123-E140 HydrophobicContact CG2-CG 3.62Å; D124-E140 HydrophobicContact CB-CB 4.35Å; D124-E140 HydrophobicContact CB-CG 4.22Å; D124-E140 PolarHBondContact N-OE1 2.4Å; D124-E140 PolarHBondContact O-N 3.04Å; E140-L142 HydrophobicContact CG-CD1 4.34Å; E140-L142 HydrophobicContact CG-CD2 4.3Å; E140-L142 HydrophobicContact CG-CG 4.12Å; E140-R200 IonicContact OE1-NE 2.68Å
141	F	93.5	Very high	88.4	Confident	25 Å²	25	21.8 Å²	21.8	11%	0.11	11%	0.11	C	C	.	.			trans	-97.6	111.9	179.5	176.7	-119.9	0	0	0	111.9	I66 L76 L88 R143 F351	I66-F141 HydrophobicContact CD1-CD2 4.04Å; I66-F141 HydrophobicContact CD1-CE2 3.85Å; L76-F141 HydrophobicContact CB-CE2 4.45Å; L76-F141 HydrophobicContact CD1-CB 4.31Å; L76-F141 HydrophobicContact CD1-CD1 3.64Å; L76-F141 HydrophobicContact CD1-CD2 3.71Å; L76-F141 HydrophobicContact CD1-CE1 3.79Å; L76-F141 HydrophobicContact CD1-CE2 3.86Å; L76-F141 HydrophobicContact CD1-CG 3.6Å; L76-F141 HydrophobicContact CD1-CZ 3.91Å; L76-F141 HydrophobicContact CD2-CE1 3.88Å; L76-F141 HydrophobicContact CD2-CE2 4.18Å; L76-F141 HydrophobicContact CD2-CZ 3.67Å; L76-F141 HydrophobicContact CG-CE1 4.49Å; L76-F141 HydrophobicContact CG-CE2 4.39Å; L76-F141 HydrophobicContact CG-CZ 4.32Å; L88-F141 HydrophobicContact CB-CB 4.4Å; L88-F141 HydrophobicContact CB-CD1 4.15Å; L88-F141 HydrophobicContact CD1-CD1 4.34Å; F141-R143 HydrophobicContact CD1-CG 3.97Å; F141-R143 HydrophobicContact CE1-CG 3.63Å; F141-R143 HydrophobicContact CZ-CG 4.42Å; F141-F351 HydrophobicContact CD2-CZ 4.28Å; F141-F351 HydrophobicContact CE2-CE1 4.16Å; F141-F351 AromaticContact CE2-CE2 3.59Å; F141-F351 HydrophobicContact CE2-CE2 3.59Å; F141-F351 AromaticContact CE2-CZ 3.32Å; F141-F351 HydrophobicContact CE2-CZ 3.32Å; F141-F351 HydrophobicContact CZ-CD2 4.43Å; F141-F351 AromaticContact CZ-CE2 3.51Å; F141-F351 HydrophobicContact CZ-CE2 3.51Å; F141-F351 AromaticContact CZ-CZ 3.77Å; F141-F351 HydrophobicContact CZ-CZ 3.77Å
142	L	93	Very high	87.6	Confident	8 Å²	8	21.9 Å²	21.9	4%	0.042	11%	0.113	C	C	.	.			trans	-99	96.7	-173.6	-66.3	166.2	0	0	0	111.6	V123 E140 G144 G145 L192 L193 N194 R200 F351	V123-L142 HydrophobicContact CG2-CD1 4.17Å; E140-L142 HydrophobicContact CG-CD1 4.34Å; E140-L142 HydrophobicContact CG-CD2 4.3Å; E140-L142 HydrophobicContact CG-CG 4.12Å; L142-G144 PolarHBondContact O-N 2.83Å; L142-G144 VanDerWaalsContact O-N 3.14Å; L142-G145 PolarHBondContact O-N 3.34Å; L142-L192 HydrophobicContact CB-CB 4.18Å; L142-L192 HydrophobicContact CB-CD1 4.41Å; L142-L192 HydrophobicContact CD1-CB 3.67Å; L142-L192 HydrophobicContact CD1-CD1 3.82Å; L142-L192 HydrophobicContact CD1-CG 4.37Å; L142-L193 CarbonylContact C-O 3.59Å; L142-N194 HydrophobicContact CD2-CB 3.86Å; L142-R200 HydrophobicContact CD1-CB 3.51Å; L142-R200 HydrophobicContact CD1-CG 3.55Å; L142-R200 HydrophobicContact CD2-CG 3.65Å; L142-R200 HydrophobicContact CG-CG 4.25Å; L142-F351 VanDerWaalsContact O-CZ 3.3Å; L142-F351 WeakPolarHBondContact O-CZ 3.41Å
143	R	90.6	Very high	87	Confident	46 Å²	46	22.3 Å²	22.3	17%	0.174	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-20.9	-171	-71	-179.1	170.1	136.7	7.6	115.8	F141 G145 E195 I345 N350	F141-R143 HydrophobicContact CD1-CG 3.97Å; F141-R143 HydrophobicContact CE1-CG 3.63Å; F141-R143 HydrophobicContact CZ-CG 4.42Å; R143-G145 PolarHBondContact O-N 3.45Å; R143-E195 HydrophobicContact CB-CB 4.3Å; R143-E195 WeakPolarHBondContact CD-OE2 3.3Å; R143-E195 IonicContact CZ-OE2 2.64Å; R143-E195 IonicContact NE-OE2 2.83Å; R143-E195 IonicContact NH1-OE2 3.39Å; R143-E195 PolarHBondContact NH1-OE2 2.8Å; R143-I345 PolarHBondContact NE-O 3.46Å; R143-I345 PolarHBondContact NH2-O 3.41Å; R143-N350 WeakPolarHBondContact O-CB 3.43Å; R143-N350 PolarHBondContact O-ND2 3.37Å
144	G	88.9	Confident	86.3	Confident	8 Å²	8	25.2 Å²	25.2	8%	0.082	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-9.8	-177.3	0	0	0	0	0	114.7	L142 L193 N350	L142-G144 PolarHBondContact O-N 2.83Å; L142-G144 VanDerWaalsContact O-N 3.14Å; G144-L193 WeakPolarHBondContact CA-O 3.22Å; G144-L193 PolarHBondContact N-O 3.15Å; G144-N350 WeakPolarHBondContact O-CB 3.37Å
145	G	89.4	Confident	85.1	Confident	1 Å²	1	27.2 Å²	27.2	1%	0.01	13%	0.133	C	C	.	.			trans	73.1	-163.3	-175.3	0	0	0	0	0	112.2	L142 R143 L192 L193	L142-G145 PolarHBondContact O-N 3.34Å; R143-G145 PolarHBondContact O-N 3.45Å; G145-L192 CarbonylContact O-C 3.52Å; G145-L192 WeakPolarHBondContact O-CA 3.37Å; G145-L193 PolarHBondContact O-N 2.91Å
146	D	89.5	Confident	84.4	Confident	38 Å²	38	29.4 Å²	29.4	20%	0.203	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-92.5	151	178	52.5	78.2	0	0	0	113.6	F148 S149 R150 V191 L192	D146-F148 PolarHBondContact O-N 2.78Å; D146-F148 WeakPolarHBondContact OD1-CB 3.36Å; D146-S149 WeakPolarHBondContact O-CB 3.35Å; D146-S149 PolarHBondContact O-N 2.91Å; D146-S149 VanDerWaalsContact O-N 3.12Å; D146-S149 WeakPolarHBondContact OD1-CB 3.39Å; D146-S149 PolarHBondContact OD1-N 3.23Å; D146-S149 PolarHBondContact OD1-OG 2.79Å; D146-S149 PolarHBondContact OD2-OG 3.32Å; D146-R150 PolarHBondContact O-N 3.49Å; D146-V191 WeakPolarHBondContact CA-O 3.39Å; D146-L192 HydrophobicContact CB-CD2 3.71Å
147	L	89.4	Confident	84	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-64.3	-27.5	178.2	-162.3	66.2	0	0	0	111.5	S149 R150 L151 F157 Y165 P188 V191 L193 L255	L147-S149 VanDerWaalsContact C-N 3.35Å; L147-S149 PolarHBondContact O-N 2.97Å; L147-R150 PolarHBondContact O-N 2.63Å; L147-L151 WeakPolarHBondContact O-CB 3.41Å; L147-L151 PolarHBondContact O-N 2.83Å; L147-F157 HydrophobicContact CD1-CE2 3.65Å; L147-F157 HydrophobicContact CD1-CZ 3.98Å; L147-F157 HydrophobicContact CD2-CE2 4.34Å; L147-F157 HydrophobicContact CG-CE2 3.92Å; L147-F157 HydrophobicContact CG-CZ 4.33Å; L147-Y165 HydrophobicContact CD1-CD2 4.32Å; L147-Y165 HydrophobicContact CD1-CE2 4.19Å; L147-P188 HydrophobicContact CB-CB 4.36Å; L147-P188 PolarHBondContact N-O 3.4Å; L147-V191 HydrophobicContact CB-CB 4.02Å; L147-V191 HydrophobicContact CB-CG1 4.17Å; L147-V191 WeakPolarHBondContact CB-O 3.32Å; L147-V191 HydrophobicContact CD2-CB 4.32Å; L147-V191 HydrophobicContact CD2-CG1 4.01Å; L147-V191 PolarHBondContact N-O 2.91Å; L147-L193 HydrophobicContact CD1-CD1 4.23Å; L147-L193 HydrophobicContact CD1-CD2 4.31Å; L147-L255 HydrophobicContact CD2-CD1 3.86Å; L147-L255 HydrophobicContact CD2-CD2 3.87Å; L147-L255 HydrophobicContact CG-CD2 4.27Å
148	F	84.9	Confident	83.9	Confident	27 Å²	27	31.6 Å²	31.6	12%	0.118	16%	0.156	C	C	.	.	H	α-helix	trans	-58.2	-44.9	171.7	-174.7	-92.3	0	0	0	112.2	D146 R150 L151 S152 P188 E189 T784 L785	D146-F148 PolarHBondContact O-N 2.78Å; D146-F148 WeakPolarHBondContact OD1-CB 3.36Å; F148-R150 VanDerWaalsContact C-N 3.33Å; F148-R150 PolarHBondContact O-N 3.08Å; F148-L151 PolarHBondContact O-N 2.97Å; F148-S152 WeakPolarHBondContact CE1-OG 3.49Å; F148-S152 VanDerWaalsContact O-CB 3.32Å; F148-S152 WeakPolarHBondContact O-CB 3.43Å; F148-S152 PolarHBondContact O-N 3.41Å; F148-S152 PolarHBondContact O-OG 3.13Å; F148-P188 HydrophobicContact CB-CB 3.81Å; F148-P188 HydrophobicContact CD2-CB 4.25Å; F148-P188 PolarHBondContact N-O 3.21Å; F148-P188 VanDerWaalsContact N-O 3.1Å; F148-E189 HydrophobicContact CB-CB 4.46Å; F148-E189 HydrophobicContact CB-CG 3.86Å; F148-E189 HydrophobicContact CD2-CG 4.06Å; F148-E189 HydrophobicContact CG-CG 3.87Å; F148-T784 VanDerWaalsContact CZ-OG1 3.32Å; F148-T784 WeakPolarHBondContact CZ-OG1 3.35Å; F148-L785 HydrophobicContact CE2-CD1 4.33Å
149	S	78.3	Confident	83.8	Confident	28 Å²	28	33.8 Å²	33.8	20%	0.196	17%	0.167	C	C	.	.	H	α-helix	trans	-67.4	-32.7	178.2	-67.9	0	0	0	0	111.9	D146 L147 K153	D146-S149 WeakPolarHBondContact O-CB 3.35Å; D146-S149 PolarHBondContact O-N 2.91Å; D146-S149 VanDerWaalsContact O-N 3.12Å; D146-S149 WeakPolarHBondContact OD1-CB 3.39Å; D146-S149 PolarHBondContact OD1-N 3.23Å; D146-S149 PolarHBondContact OD1-OG 2.79Å; D146-S149 PolarHBondContact OD2-OG 3.32Å; L147-S149 VanDerWaalsContact C-N 3.35Å; L147-S149 PolarHBondContact O-N 2.97Å; S149-K153 WeakPolarHBondContact O-CD 3.42Å; S149-K153 WeakPolarHBondContact O-CG 3.11Å; S149-K153 PolarHBondContact O-N 3.44Å
150	R	82.6	Confident	83.7	Confident	15 Å²	15	38.3 Å²	38.3	6%	0.057	19%	0.191	C	C	.	.	H	α-helix	trans	-68.9	-51.5	170.9	-169.8	-172.9	168.9	-153	-18.7	111.4	D146 L147 F148 S152 K153 E154 F157 D161 Y165 F338	D146-R150 PolarHBondContact O-N 3.49Å; L147-R150 PolarHBondContact O-N 2.63Å; F148-R150 VanDerWaalsContact C-N 3.33Å; F148-R150 PolarHBondContact O-N 3.08Å; R150-S152 PolarHBondContact O-N 3.06Å; R150-S152 VanDerWaalsContact O-N 3.17Å; R150-K153 PolarHBondContact O-N 2.74Å; R150-E154 VanDerWaalsContact CG-OE1 3.23Å; R150-E154 WeakPolarHBondContact CG-OE1 3Å; R150-E154 IonicContact CZ-OE1 3.61Å; R150-E154 IonicContact CZ-OE2 2.85Å; R150-E154 VanDerWaalsContact CZ-OE2 3.3Å; R150-E154 VanDerWaalsContact NE-CD 3.32Å; R150-E154 IonicContact NE-OE1 3.52Å; R150-E154 PolarHBondContact NE-OE1 2.74Å; R150-E154 IonicContact NE-OE2 2.82Å; R150-E154 PolarHBondContact NE-OE2 2.74Å; R150-E154 VanDerWaalsContact NE-OE2 3.16Å; R150-E154 IonicContact NH2-OE1 2.82Å; R150-E154 IonicContact NH2-OE2 2.65Å; R150-E154 PolarHBondContact NH2-OE2 3.03Å; R150-E154 PolarHBondContact O-N 2.79Å; R150-F157 HydrophobicContact CB-CE1 4.45Å; R150-F157 HydrophobicContact CB-CZ 3.99Å; R150-F157 HydrophobicContact CG-CE1 3.83Å; R150-F157 HydrophobicContact CG-CZ 3.75Å; R150-D161 IonicContact CZ-OD2 2.78Å; R150-D161 IonicContact NH1-OD2 3.82Å; R150-D161 PolarHBondContact NH1-OD2 3.04Å; R150-D161 IonicContact NH2-OD2 2.65Å; R150-D161 PolarHBondContact NH2-OD2 2.84Å; R150-Y165 PolarHBondContact NH1-OH 2.95Å; R150-F338 HydrophobicContact CG-CE1 4.41Å
151	L	77.5	Confident	83.6	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-56.6	-33.3	175.4	-176.4	68.5	0	0	0	111.7	L147 F148 K153 Y155 F157 E254 L255	L147-L151 WeakPolarHBondContact O-CB 3.41Å; L147-L151 PolarHBondContact O-N 2.83Å; F148-L151 PolarHBondContact O-N 2.97Å; L151-K153 VanDerWaalsContact C-N 3.31Å; L151-K153 PolarHBondContact O-N 2.85Å; L151-Y155 VanDerWaalsContact O-CA 3.24Å; L151-Y155 WeakPolarHBondContact O-CA 3.33Å; L151-Y155 PolarHBondContact O-N 2.97Å; L151-F157 HydrophobicContact CB-CE1 4.46Å; L151-F157 HydrophobicContact CB-CZ 4.12Å; L151-F157 HydrophobicContact CD1-CE1 4.41Å; L151-E254 HydrophobicContact CD2-CG 3.83Å; L151-L255 HydrophobicContact CD1-CD2 4.43Å; L151-L255 HydrophobicContact CD2-CD2 4.3Å
152	S	71.1	Confident	83.8	Confident	53 Å²	53	36.2 Å²	36.2	37%	0.371	18%	0.182	S	C	.	.	H	α-helix	trans	-65.8	-29.4	175.2	-59.8	0	0	0	0	114.1	F148 R150 R788	F148-S152 WeakPolarHBondContact CE1-OG 3.49Å; F148-S152 VanDerWaalsContact O-CB 3.32Å; F148-S152 WeakPolarHBondContact O-CB 3.43Å; F148-S152 PolarHBondContact O-N 3.41Å; F148-S152 PolarHBondContact O-OG 3.13Å; R150-S152 PolarHBondContact O-N 3.06Å; R150-S152 VanDerWaalsContact O-N 3.17Å; S152-R788 VanDerWaalsContact CA-NH2 3.32Å; S152-R788 VanDerWaalsContact CB-NH2 3.33Å; S152-R788 PolarHBondContact OG-NH2 3.37Å
153	K	70.4	Confident	84	Confident	145 Å²	145	36.9 Å²	36.9	63%	0.63	19%	0.185	S	C	*	.	H	α-helix	trans	-87.8	-37.1	179	-67.9	165.2	-176.7	174	0	111.8	S149 R150 L151	S149-K153 WeakPolarHBondContact O-CD 3.42Å; S149-K153 WeakPolarHBondContact O-CG 3.11Å; S149-K153 PolarHBondContact O-N 3.44Å; R150-K153 PolarHBondContact O-N 2.74Å; L151-K153 VanDerWaalsContact C-N 3.31Å; L151-K153 PolarHBondContact O-N 2.85Å
154	E	68.3	Low	84.3	Confident	66 Å²	66	35.2 Å²	35.2	31%	0.308	18%	0.179	S	C	.	.	H	α-helix	trans	-101.4	-12.8	-172.5	-69.6	170.6	-138	0	0	114.5	R150 M156 F157	R150-E154 VanDerWaalsContact CG-OE1 3.23Å; R150-E154 WeakPolarHBondContact CG-OE1 3Å; R150-E154 IonicContact CZ-OE1 3.61Å; R150-E154 IonicContact CZ-OE2 2.85Å; R150-E154 VanDerWaalsContact CZ-OE2 3.3Å; R150-E154 VanDerWaalsContact NE-CD 3.32Å; R150-E154 IonicContact NE-OE1 3.52Å; R150-E154 PolarHBondContact NE-OE1 2.74Å; R150-E154 IonicContact NE-OE2 2.82Å; R150-E154 PolarHBondContact NE-OE2 2.74Å; R150-E154 VanDerWaalsContact NE-OE2 3.16Å; R150-E154 IonicContact NH2-OE1 2.82Å; R150-E154 IonicContact NH2-OE2 2.65Å; R150-E154 PolarHBondContact NH2-OE2 3.03Å; R150-E154 PolarHBondContact O-N 2.79Å; E154-M156 PolarHBondContact O-N 2.81Å; E154-F157 HydrophobicContact CB-CD1 4.3Å; E154-F157 HydrophobicContact CB-CE1 4.08Å
155	Y	62.9	Low	84.7	Confident	56 Å²	56	34.9 Å²	34.9	22%	0.22	18%	0.175	C	C	.	.	S	Bend	trans	71.1	-43.1	177.3	-169.3	-90.1	0	0	0	116.1	L151 G258 R791 I795	L151-Y155 VanDerWaalsContact O-CA 3.24Å; L151-Y155 WeakPolarHBondContact O-CA 3.33Å; L151-Y155 PolarHBondContact O-N 2.97Å; Y155-G258 WeakPolarHBondContact O-CA 3.34Å; Y155-R791 WeakPolarHBondContact OH-CB 3.39Å; Y155-R791 WeakPolarHBondContact OH-CD 3.39Å; Y155-I795 HydrophobicContact CE1-CD1 4.15Å
156	M	76.4	Confident	85.1	Confident	46 Å²	46	34.8 Å²	34.8	23%	0.227	18%	0.175	C	C	.	.	S	Bend	trans	-151.2	157.6	169.5	63.8	-178.9	69.9	0	0	109.1	E154 I795	E154-M156 PolarHBondContact O-N 2.81Å; M156-I795 HydrophobicContact CE-CD1 4.34Å
157	F	84.2	Confident	85.5	Confident	9 Å²	9	33 Å²	33	4%	0.039	17%	0.165	C	C	.	.			trans	-104.1	161.8	176.2	-62.6	-19	0	0	0	111.2	L147 R150 L151 E154 D161 V162 Y165 L255	L147-F157 HydrophobicContact CD1-CE2 3.65Å; L147-F157 HydrophobicContact CD1-CZ 3.98Å; L147-F157 HydrophobicContact CD2-CE2 4.34Å; L147-F157 HydrophobicContact CG-CE2 3.92Å; L147-F157 HydrophobicContact CG-CZ 4.33Å; R150-F157 HydrophobicContact CB-CE1 4.45Å; R150-F157 HydrophobicContact CB-CZ 3.99Å; R150-F157 HydrophobicContact CG-CE1 3.83Å; R150-F157 HydrophobicContact CG-CZ 3.75Å; L151-F157 HydrophobicContact CB-CE1 4.46Å; L151-F157 HydrophobicContact CB-CZ 4.12Å; L151-F157 HydrophobicContact CD1-CE1 4.41Å; E154-F157 HydrophobicContact CB-CD1 4.3Å; E154-F157 HydrophobicContact CB-CE1 4.08Å; F157-D161 HydrophobicContact CB-CB 3.89Å; F157-D161 HydrophobicContact CG-CB 4.48Å; F157-V162 HydrophobicContact CB-CG2 3.71Å; F157-V162 HydrophobicContact CD2-CG2 4.43Å; F157-Y165 HydrophobicContact CD2-CD2 4.45Å; F157-Y165 HydrophobicContact CE2-CE2 4.45Å; F157-L255 HydrophobicContact CD2-CB 4Å; F157-L255 HydrophobicContact CD2-CD1 4.4Å; F157-L255 HydrophobicContact CD2-CD2 4Å; F157-L255 HydrophobicContact CD2-CG 4.35Å; F157-L255 HydrophobicContact CE2-CD2 3.75Å; F157-L255 PolarHBondContact N-O 2.73Å
158	T	88.2	Confident	85.9	Confident	42 Å²	42	33 Å²	33	26%	0.258	17%	0.165	S	C	.	.			trans	-69.9	159.3	172.7	75	0	0	0	0	110.7	D160 D161 V162	T158-D160 PolarHBondContact O-N 3.38Å; T158-D160 PolarHBondContact OG1-N 3.27Å; T158-D161 PolarHBondContact O-N 2.89Å; T158-D161 WeakPolarHBondContact OG1-CB 3.48Å; T158-D161 PolarHBondContact OG1-N 3.33Å; T158-D161 PolarHBondContact OG1-OD1 3.43Å; T158-V162 WeakPolarHBondContact O-CG2 3.4Å; T158-V162 PolarHBondContact O-N 3.13Å
159	E	92.4	Very high	86.6	Confident	46 Å²	46	31.7 Å²	31.7	22%	0.215	16%	0.159	C	C	.	.	H	α-helix	trans	-60.1	-33	175.1	-69.4	-163.6	-172	0	0	112.6	V162 K163 L256 L285 S286 F320	E159-V162 PolarHBondContact O-N 2.89Å; E159-K163 WeakPolarHBondContact O-CB 3.35Å; E159-K163 PolarHBondContact O-N 3.31Å; E159-L256 HydrophobicContact CB-CD2 4.4Å; E159-L256 HydrophobicContact CG-CD2 3.79Å; E159-L285 WeakPolarHBondContact OE1-CA 3.49Å; E159-S286 PolarHBondContact OE1-N 2.93Å; E159-S286 PolarHBondContact OE1-OG 2.64Å; E159-S286 WeakPolarHBondContact OE2-CB 3.22Å; E159-S286 PolarHBondContact OE2-OG 2.83Å; E159-F320 HydrophobicContact CB-CE2 4.35Å
160	D	91.9	Very high	87.5	Confident	105 Å²	105	30.4 Å²	30.4	56%	0.561	15%	0.15	S	C	*	.	H	α-helix	trans	-72.6	-40.9	176.9	-70.7	-48.1	0	0	0	112.8	T158 V162 K163 F164	T158-D160 PolarHBondContact O-N 3.38Å; T158-D160 PolarHBondContact OG1-N 3.27Å; D160-V162 VanDerWaalsContact C-N 3.31Å; D160-V162 PolarHBondContact O-N 2.9Å; D160-K163 PolarHBondContact O-N 3.43Å; D160-K163 WeakPolarHBondContact OD1-CE 3.37Å; D160-K163 IonicContact OD1-NZ 3.7Å; D160-K163 PolarHBondContact OD1-NZ 3.3Å; D160-F164 PolarHBondContact O-N 3.33Å
161	D	93	Very high	88.2	Confident	22 Å²	22	30.4 Å²	30.4	12%	0.118	15%	0.151	C	C	.	.	H	α-helix	trans	-57.1	-46.9	170.4	-83.8	71.3	0	0	0	110.6	R150 F157 T158 F164 Y165 P337	R150-D161 IonicContact CZ-OD2 2.78Å; R150-D161 IonicContact NH1-OD2 3.82Å; R150-D161 PolarHBondContact NH1-OD2 3.04Å; R150-D161 IonicContact NH2-OD2 2.65Å; R150-D161 PolarHBondContact NH2-OD2 2.84Å; F157-D161 HydrophobicContact CB-CB 3.89Å; F157-D161 HydrophobicContact CG-CB 4.48Å; T158-D161 PolarHBondContact O-N 2.89Å; T158-D161 WeakPolarHBondContact OG1-CB 3.48Å; T158-D161 PolarHBondContact OG1-N 3.33Å; T158-D161 PolarHBondContact OG1-OD1 3.43Å; D161-F164 PolarHBondContact O-N 2.96Å; D161-Y165 WeakPolarHBondContact O-CD2 3.44Å; D161-Y165 PolarHBondContact O-N 3Å; D161-P337 HydrophobicContact CB-CG 4.34Å
162	V	95.9	Very high	89.2	Confident	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-66.6	-43.4	179.5	175.1	0	0	0	0	111.4	F157 T158 E159 D160 F164 Y165 L166 M252 L255 L256	F157-V162 HydrophobicContact CB-CG2 3.71Å; F157-V162 HydrophobicContact CD2-CG2 4.43Å; T158-V162 WeakPolarHBondContact O-CG2 3.4Å; T158-V162 PolarHBondContact O-N 3.13Å; E159-V162 PolarHBondContact O-N 2.89Å; D160-V162 VanDerWaalsContact C-N 3.31Å; D160-V162 PolarHBondContact O-N 2.9Å; V162-F164 VanDerWaalsContact C-N 3.33Å; V162-F164 PolarHBondContact O-N 3.23Å; V162-Y165 PolarHBondContact O-N 2.91Å; V162-L166 HydrophobicContact CG1-CD1 3.42Å; V162-L166 VanDerWaalsContact CG1-CD1 3.42Å; V162-L166 HydrophobicContact CG1-CG 3.85Å; V162-L166 VanDerWaalsContact O-CB 3.26Å; V162-L166 WeakPolarHBondContact O-CB 3.32Å; V162-L166 VanDerWaalsContact O-CG 3.24Å; V162-L166 WeakPolarHBondContact O-CG 3.24Å; V162-L166 PolarHBondContact O-N 2.95Å; V162-M252 HydrophobicContact CG1-CG 4.33Å; V162-L255 HydrophobicContact CB-CB 4.49Å; V162-L255 HydrophobicContact CG1-CB 4.29Å; V162-L255 HydrophobicContact CG2-CB 3.45Å; V162-L255 VanDerWaalsContact CG2-CB 3.45Å; V162-L255 HydrophobicContact CG2-CD1 4.49Å; V162-L256 HydrophobicContact CB-CD2 3.87Å; V162-L256 HydrophobicContact CB-CG 4.29Å; V162-L256 HydrophobicContact CG1-CD2 4.11Å; V162-L256 HydrophobicContact CG1-CG 4.02Å; V162-L256 HydrophobicContact CG2-CD2 3.69Å; V162-L256 HydrophobicContact CG2-CG 4.04Å
163	K	97.4	Very high	90.4	Very high	21 Å²	21	27.9 Å²	27.9	9%	0.091	13%	0.134	C	C	.	.	H	α-helix	trans	-56.9	-45.7	177.1	-175	-163.4	-57.8	165.8	0	111.5	E159 D160 A167 F320 F321 T323 I324	E159-K163 WeakPolarHBondContact O-CB 3.35Å; E159-K163 PolarHBondContact O-N 3.31Å; D160-K163 PolarHBondContact O-N 3.43Å; D160-K163 WeakPolarHBondContact OD1-CE 3.37Å; D160-K163 IonicContact OD1-NZ 3.7Å; D160-K163 PolarHBondContact OD1-NZ 3.3Å; K163-A167 WeakPolarHBondContact O-CB 3.3Å; K163-A167 PolarHBondContact O-N 2.91Å; K163-F320 HydrophobicContact CB-CE1 3.81Å; K163-F320 HydrophobicContact CB-CZ 3.89Å; K163-F320 WeakPolarHBondContact CD-O 3.43Å; K163-F320 WeakPolarHBondContact CE-O 3.41Å; K163-F320 HydrophobicContact CG-CD1 4.36Å; K163-F320 HydrophobicContact CG-CE1 4.09Å; K163-F320 HydrophobicContact CG-CZ 4.49Å; K163-F320 WeakPolarHBondContact CG-O 3.48Å; K163-F321 HydrophobicContact CG-CD1 3.94Å; K163-F321 HydrophobicContact CG-CE1 4.41Å; K163-T323 VanDerWaalsContact CD-OG1 3.31Å; K163-T323 WeakPolarHBondContact CD-OG1 3.4Å; K163-T323 PolarHBondContact NZ-OG1 3.43Å; K163-I324 HydrophobicContact CD-CD1 4.05Å; K163-I324 HydrophobicContact CD-CG1 4.07Å; K163-I324 HydrophobicContact CG-CD1 4.1Å; K163-I324 HydrophobicContact CG-CG1 4.01Å
164	F	97	Very high	91.6	Very high	12 Å²	12	23.6 Å²	23.6	5%	0.053	12%	0.117	C	C	.	.	H	α-helix	trans	-58.3	-57.6	175.7	179.9	-89.4	0	0	0	111.3	D160 D161 V162 L166 A167 E168 H198 L329 I334 P336 P337	D160-F164 PolarHBondContact O-N 3.33Å; D161-F164 PolarHBondContact O-N 2.96Å; V162-F164 VanDerWaalsContact C-N 3.33Å; V162-F164 PolarHBondContact O-N 3.23Å; F164-L166 PolarHBondContact O-N 3.47Å; F164-A167 PolarHBondContact O-N 3.23Å; F164-A167 VanDerWaalsContact O-N 3.14Å; F164-E168 VanDerWaalsContact CE1-CD 3.43Å; F164-E168 HydrophobicContact CE1-CG 4.14Å; F164-E168 WeakPolarHBondContact CE1-OE2 3.49Å; F164-E168 HydrophobicContact CZ-CG 4.31Å; F164-E168 VanDerWaalsContact CZ-OE1 3.23Å; F164-E168 WeakPolarHBondContact CZ-OE1 3.17Å; F164-E168 PolarHBondContact O-N 2.73Å; F164-H198 AromaticContact CZ-ND1 3.84Å; F164-L329 HydrophobicContact CD2-CD1 4.2Å; F164-L329 HydrophobicContact CE2-CD1 3.7Å; F164-L329 HydrophobicContact CZ-CD1 4.19Å; F164-I334 HydrophobicContact CD2-CG2 4.09Å; F164-I334 HydrophobicContact CE2-CB 4.22Å; F164-I334 HydrophobicContact CE2-CG2 3.77Å; F164-P336 HydrophobicContact CE1-CB 3.93Å; F164-P336 HydrophobicContact CE1-CG 4.21Å; F164-P336 HydrophobicContact CZ-CB 3.97Å; F164-P336 HydrophobicContact CZ-CG 3.9Å; F164-P337 HydrophobicContact CB-CG 4.36Å; F164-P337 HydrophobicContact CD1-CG 4.14Å; F164-P337 HydrophobicContact CG-CG 4.32Å
165	Y	97.5	Very high	92.9	Very high	0 Å²	0	22.7 Å²	22.7	0%	0	11%	0.112	C	C	.	.	H	α-helix	trans	-64.5	-37.5	-176.3	-67.2	-49.7	0	0	0	113.7	L147 R150 F157 D161 V162 A167 E168 I169 L193 G197 V199 P337	L147-Y165 HydrophobicContact CD1-CD2 4.32Å; L147-Y165 HydrophobicContact CD1-CE2 4.19Å; R150-Y165 PolarHBondContact NH1-OH 2.95Å; F157-Y165 HydrophobicContact CD2-CD2 4.45Å; F157-Y165 HydrophobicContact CE2-CE2 4.45Å; D161-Y165 WeakPolarHBondContact O-CD2 3.44Å; D161-Y165 PolarHBondContact O-N 3Å; V162-Y165 PolarHBondContact O-N 2.91Å; Y165-A167 VanDerWaalsContact C-N 3.33Å; Y165-E168 PolarHBondContact O-N 3.46Å; Y165-I169 WeakPolarHBondContact O-CB 3.47Å; Y165-I169 WeakPolarHBondContact O-CD1 3.29Å; Y165-I169 WeakPolarHBondContact O-CG1 3.38Å; Y165-I169 PolarHBondContact O-N 3.25Å; Y165-L193 HydrophobicContact CE1-CD2 3.94Å; Y165-G197 WeakPolarHBondContact CE1-O 3.39Å; Y165-V199 HydrophobicContact CD1-CG1 3.44Å; Y165-V199 VanDerWaalsContact CD1-CG1 3.44Å; Y165-V199 HydrophobicContact CE1-CG1 4.13Å; Y165-V199 HydrophobicContact CG-CG1 4.26Å; Y165-P337 HydrophobicContact CE2-CG 4.11Å
166	L	98.2	Very high	94.4	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-67	-34.2	176	-72.2	-179	0	0	0	112.2	V162 F164 A170 F248 L251 M252 F320 F321	V162-L166 HydrophobicContact CG1-CD1 3.42Å; V162-L166 VanDerWaalsContact CG1-CD1 3.42Å; V162-L166 HydrophobicContact CG1-CG 3.85Å; V162-L166 VanDerWaalsContact O-CB 3.26Å; V162-L166 WeakPolarHBondContact O-CB 3.32Å; V162-L166 VanDerWaalsContact O-CG 3.24Å; V162-L166 WeakPolarHBondContact O-CG 3.24Å; V162-L166 PolarHBondContact O-N 2.95Å; F164-L166 PolarHBondContact O-N 3.47Å; L166-A170 WeakPolarHBondContact O-CB 3.45Å; L166-A170 PolarHBondContact O-N 3.23Å; L166-F248 HydrophobicContact CB-CE1 4.37Å; L166-F248 HydrophobicContact CB-CE2 4.07Å; L166-F248 HydrophobicContact CB-CZ 3.64Å; L166-F248 HydrophobicContact CD1-CE1 4.42Å; L166-F248 HydrophobicContact CD1-CZ 4.45Å; L166-F248 HydrophobicContact CD2-CD2 4.11Å; L166-F248 HydrophobicContact CD2-CE1 4.21Å; L166-F248 HydrophobicContact CD2-CE2 3.78Å; L166-F248 HydrophobicContact CD2-CG 4.47Å; L166-F248 HydrophobicContact CD2-CZ 3.86Å; L166-F248 HydrophobicContact CG-CE2 4.48Å; L166-F248 HydrophobicContact CG-CZ 4.17Å; L166-F248 WeakPolarHBondContact O-CE2 3.43Å; L166-F248 WeakPolarHBondContact O-CZ 3.27Å; L166-L251 HydrophobicContact CD2-CD2 4.32Å; L166-L251 HydrophobicContact CD2-CG 4.45Å; L166-M252 HydrophobicContact CD1-CB 3.52Å; L166-M252 HydrophobicContact CD1-CG 3.51Å; L166-M252 HydrophobicContact CD1-SD 4.02Å; L166-M252 HydrophobicContact CD2-CB 4.32Å; L166-F320 HydrophobicContact CD1-CE1 4.35Å; L166-F321 HydrophobicContact CB-CE1 3.99Å; L166-F321 HydrophobicContact CB-CZ 4.04Å
167	A	98.2	Very high	95.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.096	C	C	.	.	H	α-helix	trans	-66	-43.2	175.6	0	0	0	0	0	111.8	K163 F164 Y165 A170 L171 F321 I324 W326 L329	K163-A167 WeakPolarHBondContact O-CB 3.3Å; K163-A167 PolarHBondContact O-N 2.91Å; F164-A167 PolarHBondContact O-N 3.23Å; F164-A167 VanDerWaalsContact O-N 3.14Å; Y165-A167 VanDerWaalsContact C-N 3.33Å; A167-A170 PolarHBondContact O-N 2.98Å; A167-L171 PolarHBondContact O-N 3.19Å; A167-L171 VanDerWaalsContact O-N 3.08Å; A167-F321 HydrophobicContact CB-CD1 4.22Å; A167-F321 HydrophobicContact CB-CE1 4.22Å; A167-I324 HydrophobicContact CB-CG1 4.26Å; A167-I324 HydrophobicContact CB-CG2 4.06Å; A167-W326 HydrophobicContact CB-CH2 3.82Å; A167-W326 HydrophobicContact CB-CZ3 3.81Å; A167-L329 HydrophobicContact CB-CD2 3.36Å
168	E	98.2	Very high	95.6	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-63.5	-43.7	175.4	-58	-163.4	135.4	0	0	112.2	Y121 F164 Y165 A170 L171 A172 H198 V199 L329	Y121-E168 HydrophobicContact CD1-CB 3.96Å; Y121-E168 HydrophobicContact CD1-CG 4.31Å; Y121-E168 HydrophobicContact CD2-CB 3.92Å; Y121-E168 WeakPolarHBondContact CD2-O 3.2Å; Y121-E168 HydrophobicContact CE1-CB 3.9Å; Y121-E168 HydrophobicContact CE1-CG 3.74Å; Y121-E168 WeakPolarHBondContact CE1-OE1 3.29Å; Y121-E168 HydrophobicContact CE2-CB 3.87Å; Y121-E168 HydrophobicContact CE2-CG 4.01Å; Y121-E168 HydrophobicContact CG-CB 3.96Å; Y121-E168 PolarHBondContact OH-OE1 3.39Å; F164-E168 VanDerWaalsContact CE1-CD 3.43Å; F164-E168 HydrophobicContact CE1-CG 4.14Å; F164-E168 WeakPolarHBondContact CE1-OE2 3.49Å; F164-E168 HydrophobicContact CZ-CG 4.31Å; F164-E168 VanDerWaalsContact CZ-OE1 3.23Å; F164-E168 WeakPolarHBondContact CZ-OE1 3.17Å; F164-E168 PolarHBondContact O-N 2.73Å; Y165-E168 PolarHBondContact O-N 3.46Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 2.99Å; E168-L171 PolarHBondContact O-N 3.38Å; E168-A172 PolarHBondContact O-N 2.69Å; E168-A172 VanDerWaalsContact O-N 3.11Å; E168-H198 IonicContact OE1-CE1 2.64Å; E168-H198 IonicContact OE1-CG 3.08Å; E168-H198 IonicContact OE1-ND1 2.74Å; E168-H198 PolarHBondContact OE1-ND1 3.05Å; E168-V199 HydrophobicContact CB-CG2 3.5Å; E168-V199 VanDerWaalsContact CB-CG2 3.5Å; E168-V199 HydrophobicContact CG-CG2 4.49Å; E168-V199 PolarHBondContact OE2-N 3.22Å; E168-L329 HydrophobicContact CG-CD1 3.84Å; E168-L329 HydrophobicContact CG-CD2 4.18Å; E168-L329 HydrophobicContact CG-CG 4.18Å
169	I	98.2	Very high	95.7	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-64.7	-38.5	176.5	-67.2	168.4	0	0	0	111	Y165 A172 L173 L186 V191 V199 L201 F248 L251	Y165-I169 WeakPolarHBondContact O-CB 3.47Å; Y165-I169 WeakPolarHBondContact O-CD1 3.29Å; Y165-I169 WeakPolarHBondContact O-CG1 3.38Å; Y165-I169 PolarHBondContact O-N 3.25Å; I169-A172 WeakPolarHBondContact O-CB 3.29Å; I169-A172 PolarHBondContact O-N 2.93Å; I169-L173 HydrophobicContact CG2-CD1 4.21Å; I169-L173 HydrophobicContact CG2-CG 4.3Å; I169-L173 WeakPolarHBondContact O-CG 3.19Å; I169-L173 PolarHBondContact O-N 2.95Å; I169-L186 HydrophobicContact CG2-CD1 3.93Å; I169-L186 HydrophobicContact CG2-CD2 3.99Å; I169-V191 HydrophobicContact CD1-CG1 4.02Å; I169-V191 HydrophobicContact CD1-CG2 3.92Å; I169-V191 HydrophobicContact CG1-CG1 4.48Å; I169-V199 HydrophobicContact CG1-CG2 4.11Å; I169-L201 HydrophobicContact CG1-CD2 4.35Å; I169-L201 HydrophobicContact CG2-CD2 4.44Å; I169-F248 HydrophobicContact CB-CE2 4.26Å; I169-F248 HydrophobicContact CG2-CD2 3.9Å; I169-F248 HydrophobicContact CG2-CE2 4.04Å; I169-L251 HydrophobicContact CD1-CD2 3.6Å
170	A	98.1	Very high	95.5	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	12%	0.124	C	C	.	.	H	α-helix	trans	-66	-39	179	0	0	0	0	0	112	L166 A167 E168 L173 N174 W245 F248 F312 L315 W326	L166-A170 WeakPolarHBondContact O-CB 3.45Å; L166-A170 PolarHBondContact O-N 3.23Å; A167-A170 PolarHBondContact O-N 2.98Å; E168-A170 VanDerWaalsContact C-N 3.34Å; E168-A170 PolarHBondContact O-N 2.99Å; A170-L173 PolarHBondContact O-N 2.98Å; A170-N174 WeakPolarHBondContact O-CB 3.36Å; A170-N174 PolarHBondContact O-N 3.34Å; A170-W245 HydrophobicContact CB-CH2 4.15Å; A170-W245 HydrophobicContact CB-CZ3 4Å; A170-F248 HydrophobicContact CB-CE2 3.81Å; A170-F248 HydrophobicContact CB-CZ 3.9Å; A170-F312 HydrophobicContact CB-CE2 3.92Å; A170-L315 HydrophobicContact CB-CD2 3.7Å; A170-W326 HydrophobicContact CB-CH2 4.47Å; A170-W326 HydrophobicContact CB-CZ3 4.36Å
171	L	97.7	Very high	95.3	Very high	16 Å²	16	18.6 Å²	18.6	8%	0.084	10%	0.099	C	C	.	.	H	α-helix	trans	-60.3	-45.4	170.8	-75.2	165.3	0	0	0	111.3	Y121 A167 E168 N174 Y175 F312 W326 L329 L330	Y121-L171 HydrophobicContact CD2-CB 4.08Å; Y121-L171 HydrophobicContact CD2-CD1 4.36Å; Y121-L171 HydrophobicContact CE2-CB 4.38Å; Y121-L171 HydrophobicContact CE2-CD1 3.81Å; A167-L171 PolarHBondContact O-N 3.19Å; A167-L171 VanDerWaalsContact O-N 3.08Å; E168-L171 PolarHBondContact O-N 3.38Å; L171-N174 PolarHBondContact O-N 3.27Å; L171-Y175 WeakPolarHBondContact O-CB 3.35Å; L171-Y175 PolarHBondContact O-N 2.99Å; L171-F312 HydrophobicContact CD2-CE1 4.4Å; L171-F312 HydrophobicContact CD2-CZ 3.88Å; L171-F312 HydrophobicContact CG-CZ 4.38Å; L171-W326 HydrophobicContact CD1-CE3 4.14Å; L171-W326 HydrophobicContact CD2-CE3 4.13Å; L171-W326 HydrophobicContact CG-CE3 3.93Å; L171-W326 HydrophobicContact CG-CZ3 4.15Å; L171-L329 HydrophobicContact CD1-CB 4.49Å; L171-L329 HydrophobicContact CD1-CD2 3.93Å; L171-L329 HydrophobicContact CD1-CG 4.19Å; L171-L330 HydrophobicContact CD1-CB 4.2Å; L171-L330 HydrophobicContact CD1-CD1 4.35Å
172	A	97.1	Very high	95.2	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-61.5	-44.8	177.1	0	0	0	0	0	113	H119 I122 E168 I169 Y175 L176 L201	H119-A172 PolarHBondContact CE1-N 3.39Å; I122-A172 HydrophobicContact CD1-CB 4.46Å; I122-A172 HydrophobicContact CG1-CB 4.03Å; E168-A172 PolarHBondContact O-N 2.69Å; E168-A172 VanDerWaalsContact O-N 3.11Å; I169-A172 WeakPolarHBondContact O-CB 3.29Å; I169-A172 PolarHBondContact O-N 2.93Å; A172-Y175 PolarHBondContact O-N 3.38Å; A172-L176 WeakPolarHBondContact O-CG 2.93Å; A172-L176 PolarHBondContact O-N 3.06Å; A172-L176 VanDerWaalsContact O-N 3.08Å; A172-L201 HydrophobicContact CB-CD1 3.66Å; A172-L201 HydrophobicContact CB-CG 4.09Å
173	L	96.6	Very high	95	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-64.3	-46.1	176.7	-71	178.7	0	0	0	111.7	I169 A170 Y175 L176 H177 Y183 L186 L201 D244 W245 F248	I169-L173 HydrophobicContact CG2-CD1 4.21Å; I169-L173 HydrophobicContact CG2-CG 4.3Å; I169-L173 WeakPolarHBondContact O-CG 3.19Å; I169-L173 PolarHBondContact O-N 2.95Å; A170-L173 PolarHBondContact O-N 2.98Å; L173-Y175 VanDerWaalsContact C-N 3.31Å; L173-Y175 PolarHBondContact O-N 3.39Å; L173-L176 WeakPolarHBondContact O-CB 3.08Å; L173-L176 PolarHBondContact O-N 3.42Å; L173-L176 VanDerWaalsContact O-N 3.12Å; L173-H177 WeakPolarHBondContact O-CB 3.43Å; L173-H177 PolarHBondContact O-CD2 3.48Å; L173-H177 VanDerWaalsContact O-CD2 3.29Å; L173-H177 PolarHBondContact O-N 2.82Å; L173-Y183 HydrophobicContact CD2-CD1 4.34Å; L173-Y183 HydrophobicContact CD2-CG 4.42Å; L173-L186 HydrophobicContact CD1-CD2 4.15Å; L173-L201 HydrophobicContact CD2-CD1 4.31Å; L173-D244 HydrophobicContact CD1-CB 4.29Å; L173-D244 HydrophobicContact CD2-CB 4.04Å; L173-W245 HydrophobicContact CB-CH2 4.07Å; L173-W245 HydrophobicContact CB-CZ2 4.37Å; L173-W245 HydrophobicContact CB-CZ3 4.49Å; L173-W245 HydrophobicContact CD1-CE3 4.23Å; L173-W245 HydrophobicContact CD1-CH2 4.42Å; L173-W245 HydrophobicContact CD1-CZ3 4.03Å; L173-F248 HydrophobicContact CD1-CB 4.36Å; L173-F248 HydrophobicContact CD1-CD2 3.92Å
174	N	95.8	Very high	94.6	Very high	54 Å²	54	17.8 Å²	17.8	29%	0.289	9%	0.094	S	C	.	.	H	α-helix	trans	-60.5	-41	178	-179.9	65.5	0	0	0	112.1	A170 L171 H177 S178 F312	A170-N174 WeakPolarHBondContact O-CB 3.36Å; A170-N174 PolarHBondContact O-N 3.34Å; L171-N174 PolarHBondContact O-N 3.27Å; N174-H177 PolarHBondContact O-N 2.82Å; N174-S178 PolarHBondContact O-N 3.12Å; N174-S178 PolarHBondContact O-OG 3.39Å; N174-F312 HydrophobicContact CB-CB 4.27Å; N174-F312 HydrophobicContact CB-CD1 3.78Å; N174-F312 HydrophobicContact CB-CD2 3.74Å; N174-F312 HydrophobicContact CB-CE1 3.96Å; N174-F312 HydrophobicContact CB-CE2 3.95Å; N174-F312 HydrophobicContact CB-CG 3.65Å; N174-F312 HydrophobicContact CB-CZ 4.05Å; N174-F312 VanDerWaalsContact CG-CG 3.41Å; N174-F312 WeakPolarHBondContact ND2-CD1 3.49Å; N174-F312 VanDerWaalsContact OD1-CB 3.25Å; N174-F312 WeakPolarHBondContact OD1-CB 3.14Å; N174-F312 WeakPolarHBondContact OD1-CD1 3.35Å; N174-F312 WeakPolarHBondContact OD1-CG 3.38Å
175	Y	95.5	Very high	94.1	Very high	48 Å²	48	17.5 Å²	17.5	19%	0.188	9%	0.093	C	C	.	.	H	α-helix	trans	-61.9	-41.5	173.9	179	-84.2	0	0	0	112	I117 K118 H119 I122 L171 A172 L173 S178 H179	I117-Y175 HydrophobicContact CB-CE1 3.84Å; I117-Y175 HydrophobicContact CG2-CE1 3.99Å; K118-Y175 PolarHBondContact N-OH 3.1Å; K118-Y175 PolarHBondContact O-OH 2.76Å; K118-Y175 VanDerWaalsContact O-OH 3.13Å; H119-Y175 HydrophobicContact CB-CD1 3.87Å; H119-Y175 HydrophobicContact CB-CD2 4.31Å; H119-Y175 HydrophobicContact CB-CE1 4.06Å; H119-Y175 HydrophobicContact CB-CE2 4.44Å; H119-Y175 HydrophobicContact CB-CG 4.01Å; H119-Y175 AromaticContact CD2-CD2 3.49Å; H119-Y175 VanDerWaalsContact CD2-CD2 3.49Å; H119-Y175 WeakPolarHBondContact CD2-CD2 3.32Å; H119-Y175 AromaticContact CD2-CG 3.49Å; H119-Y175 VanDerWaalsContact CD2-CG 3.49Å; H119-Y175 AromaticContact CG-CG 3.83Å; I122-Y175 HydrophobicContact CD1-CD1 4.06Å; L171-Y175 WeakPolarHBondContact O-CB 3.35Å; L171-Y175 PolarHBondContact O-N 2.99Å; A172-Y175 PolarHBondContact O-N 3.38Å; L173-Y175 VanDerWaalsContact C-N 3.31Å; L173-Y175 PolarHBondContact O-N 3.39Å; Y175-S178 PolarHBondContact O-OG 3.03Å; Y175-H179 AromaticContact CD2-CE1 3.94Å; Y175-H179 AromaticContact CE1-CE1 3.76Å; Y175-H179 AromaticContact CE1-ND1 3.8Å; Y175-H179 AromaticContact CE2-CE1 3.44Å; Y175-H179 VanDerWaalsContact CE2-CE1 3.44Å; Y175-H179 WeakPolarHBondContact CE2-CE1 3.42Å; Y175-H179 AromaticContact CZ-CE1 3.33Å; Y175-H179 AromaticContact CZ-ND1 3.87Å; Y175-H179 AromaticContact CZ-NE2 3.86Å; Y175-H179 PolarHBondContact O-N 3.48Å; Y175-H179 PolarHBondContact O-ND1 3.24Å
176	L	94.1	Very high	93.9	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-65.3	-43.9	174.7	-70.2	166.6	0	0	0	111.6	I117 I122 A172 L173 S178 H179 G180 I181 Y183 L201 F204	I117-L176 HydrophobicContact CD1-CD2 3.83Å; I117-L176 HydrophobicContact CG2-CD2 4.32Å; I122-L176 HydrophobicContact CD1-CD1 4.06Å; I122-L176 HydrophobicContact CD1-CD2 3.88Å; I122-L176 HydrophobicContact CD1-CG 3.76Å; A172-L176 WeakPolarHBondContact O-CG 2.93Å; A172-L176 PolarHBondContact O-N 3.06Å; A172-L176 VanDerWaalsContact O-N 3.08Å; L173-L176 WeakPolarHBondContact O-CB 3.08Å; L173-L176 PolarHBondContact O-N 3.42Å; L173-L176 VanDerWaalsContact O-N 3.12Å; L176-S178 PolarHBondContact O-N 3.08Å; L176-H179 CarbonylContact O-C 3.5Å; L176-H179 PolarHBondContact O-N 2.98Å; L176-H179 VanDerWaalsContact O-N 3.15Å; L176-G180 PolarHBondContact O-N 2.92Å; L176-I181 CarbonylContact C-O 3.45Å; L176-I181 HydrophobicContact CB-CB 4.26Å; L176-I181 HydrophobicContact CD2-CB 4.25Å; L176-I181 HydrophobicContact CD2-CD1 4.24Å; L176-I181 HydrophobicContact CD2-CG2 4.12Å; L176-I181 WeakPolarHBondContact O-CB 3.34Å; L176-I181 PolarHBondContact O-N 2.7Å; L176-Y183 HydrophobicContact CD1-CD2 4.2Å; L176-Y183 HydrophobicContact CD1-CG 4.4Å; L176-L201 HydrophobicContact CD1-CD1 4.48Å; L176-F204 HydrophobicContact CD1-CE1 3.72Å; L176-F204 HydrophobicContact CD1-CZ 4.27Å; L176-F204 HydrophobicContact CD2-CE1 3.74Å; L176-F204 HydrophobicContact CG-CE1 4.39Å
177	H	93.7	Very high	93.5	Very high	25 Å²	25	18.2 Å²	18.2	12%	0.116	10%	0.096	C	C	.	.	H	α-helix	trans	-63.1	-38.7	179.8	-65.7	174.6	0	0	0	112.1	L173 N174 H179 G180 I181 T241 D244 W245	L173-H177 WeakPolarHBondContact O-CB 3.43Å; L173-H177 PolarHBondContact O-CD2 3.48Å; L173-H177 VanDerWaalsContact O-CD2 3.29Å; L173-H177 PolarHBondContact O-N 2.82Å; N174-H177 PolarHBondContact O-N 2.82Å; H177-H179 VanDerWaalsContact C-N 3.28Å; H177-H179 PolarHBondContact O-N 3.49Å; H177-G180 WeakPolarHBondContact O-CA 3.45Å; H177-G180 PolarHBondContact O-N 3.48Å; H177-I181 PolarHBondContact CD2-O 2.89Å; H177-T241 HydrophobicContact CB-CG2 3.86Å; H177-D244 IonicContact CD2-OD2 3.21Å; H177-D244 IonicContact CE1-OD2 2.61Å; H177-D244 IonicContact NE2-OD2 3.89Å; H177-D244 PolarHBondContact NE2-OD2 2.77Å; H177-W245 AromaticContact CE1-CE2 3.78Å; H177-W245 AromaticContact CE1-NE1 3.48Å; H177-W245 PolarHBondContact CE1-NE1 3.32Å; H177-W245 AromaticContact ND1-CE2 3.84Å; H177-W245 AromaticContact ND1-CZ2 3.87Å; H177-W245 AromaticContact ND1-NE1 3.48Å; H177-W245 PolarHBondContact ND1-NE1 3.29Å
178	S	92.7	Very high	93.1	Very high	77 Å²	77	18.2 Å²	18.2	54%	0.538	10%	0.096	S	C	.	.	H	α-helix	trans	-68.5	-25.3	175.8	70	0	0	0	0	113.5	N174 Y175 L176 G180	N174-S178 PolarHBondContact O-N 3.12Å; N174-S178 PolarHBondContact O-OG 3.39Å; Y175-S178 PolarHBondContact O-OG 3.03Å; L176-S178 PolarHBondContact O-N 3.08Å; S178-G180 VanDerWaalsContact C-N 3.26Å
179	H	90.6	Very high	92.5	Very high	96 Å²	96	21 Å²	21	44%	0.444	11%	0.109	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	7.9	169.4	-67.1	74.4	0	0	0	112.9	Y175 L176 H177 I181	Y175-H179 AromaticContact CD2-CE1 3.94Å; Y175-H179 AromaticContact CE1-CE1 3.76Å; Y175-H179 AromaticContact CE1-ND1 3.8Å; Y175-H179 AromaticContact CE2-CE1 3.44Å; Y175-H179 VanDerWaalsContact CE2-CE1 3.44Å; Y175-H179 WeakPolarHBondContact CE2-CE1 3.42Å; Y175-H179 AromaticContact CZ-CE1 3.33Å; Y175-H179 AromaticContact CZ-ND1 3.87Å; Y175-H179 AromaticContact CZ-NE2 3.86Å; Y175-H179 PolarHBondContact O-N 3.48Å; Y175-H179 PolarHBondContact O-ND1 3.24Å; L176-H179 CarbonylContact O-C 3.5Å; L176-H179 PolarHBondContact O-N 2.98Å; L176-H179 VanDerWaalsContact O-N 3.15Å; H177-H179 VanDerWaalsContact C-N 3.28Å; H177-H179 PolarHBondContact O-N 3.49Å; H179-I181 HydrophobicContact CB-CD1 4.18Å; H179-I181 HydrophobicContact CB-CG1 4.43Å
180	G	87.6	Confident	92.2	Very high	11 Å²	11	21 Å²	21	11%	0.113	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.1	26.6	-179.7	0	0	0	0	0	113.9	L176 H177 S178 E209 S210	L176-G180 PolarHBondContact O-N 2.92Å; H177-G180 WeakPolarHBondContact O-CA 3.45Å; H177-G180 PolarHBondContact O-N 3.48Å; S178-G180 VanDerWaalsContact C-N 3.26Å; G180-E209 CarbonylContact O-C 3.58Å; G180-E209 VanDerWaalsContact O-CA 3.29Å; G180-E209 WeakPolarHBondContact O-CA 3.3Å; G180-S210 CarbonylContact O-C 3.57Å; G180-S210 PolarHBondContact O-N 3.46Å; G180-S210 PolarHBondContact O-OG 3.42Å
181	I	89.2	Confident	92	Very high	9 Å²	9	21 Å²	21	5%	0.046	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	119.3	-178	-58.4	167.8	0	0	0	109.8	I113 I117 L176 H177 H179	I113-I181 HydrophobicContact CD1-CG2 4.01Å; I113-I181 HydrophobicContact CG1-CD1 4.21Å; I113-I181 HydrophobicContact CG2-CD1 4.03Å; I117-I181 HydrophobicContact CG2-CD1 3.9Å; L176-I181 CarbonylContact C-O 3.45Å; L176-I181 HydrophobicContact CB-CB 4.26Å; L176-I181 HydrophobicContact CD2-CB 4.25Å; L176-I181 HydrophobicContact CD2-CD1 4.24Å; L176-I181 HydrophobicContact CD2-CG2 4.12Å; L176-I181 WeakPolarHBondContact O-CB 3.34Å; L176-I181 PolarHBondContact O-N 2.7Å; H177-I181 PolarHBondContact CD2-O 2.89Å; H179-I181 HydrophobicContact CB-CD1 4.18Å; H179-I181 HydrophobicContact CB-CG1 4.43Å
182	V	90.2	Very high	91.9	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	129.3	168	-162.7	0	0	0	0	108.8	R184 S207 K208 S210 G240 T241 D244	V182-R184 HydrophobicContact CB-CG 3.89Å; V182-R184 HydrophobicContact CG1-CG 3.46Å; V182-R184 VanDerWaalsContact CG1-CG 3.46Å; V182-S207 CarbonylContact O-C 3.48Å; V182-S207 WeakPolarHBondContact O-CA 3.19Å; V182-S207 WeakPolarHBondContact O-CB 3.33Å; V182-K208 PolarHBondContact N-O 2.91Å; V182-K208 PolarHBondContact O-N 3.46Å; V182-S210 WeakPolarHBondContact CG2-OG 3.41Å; V182-G240 WeakPolarHBondContact CG1-O 3.37Å; V182-T241 HydrophobicContact CG2-CG2 4.43Å; V182-D244 VanDerWaalsContact CG1-OD2 3.29Å; V182-D244 WeakPolarHBondContact CG1-OD2 3.41Å
183	Y	91.4	Very high	91.7	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	11%	0.114	C	C	.	.			trans	-79.1	-47.9	-171.8	178.5	-113.5	0	0	0	113.1	L173 L176 D185 L186 N190 T202 F204 S207 D244	L173-Y183 HydrophobicContact CD2-CD1 4.34Å; L173-Y183 HydrophobicContact CD2-CG 4.42Å; L176-Y183 HydrophobicContact CD1-CD2 4.2Å; L176-Y183 HydrophobicContact CD1-CG 4.4Å; Y183-D185 VanDerWaalsContact C-N 3.32Å; Y183-D185 VanDerWaalsContact CE1-C 3.49Å; Y183-D185 PolarHBondContact O-N 2.83Å; Y183-L186 HydrophobicContact CD1-CB 3.99Å; Y183-L186 HydrophobicContact CE1-CB 3.98Å; Y183-L186 HydrophobicContact CE1-CD1 4.23Å; Y183-N190 WeakPolarHBondContact OH-CB 3.26Å; Y183-T202 PolarHBondContact OH-O 3.49Å; Y183-F204 AromaticContact CD2-CD1 3.89Å; Y183-F204 HydrophobicContact CD2-CD1 3.89Å; Y183-F204 AromaticContact CD2-CE1 3.63Å; Y183-F204 HydrophobicContact CD2-CE1 3.63Å; Y183-F204 HydrophobicContact CD2-CZ 4.17Å; Y183-F204 HydrophobicContact CE2-CD1 4.04Å; Y183-F204 AromaticContact CE2-CE1 3.83Å; Y183-F204 HydrophobicContact CE2-CE1 3.83Å; Y183-F204 HydrophobicContact CE2-CE2 4.33Å; Y183-F204 HydrophobicContact CE2-CG 4.37Å; Y183-F204 AromaticContact CE2-CZ 3.97Å; Y183-F204 HydrophobicContact CE2-CZ 3.97Å; Y183-S207 WeakPolarHBondContact CD2-OG 3.46Å; Y183-S207 WeakPolarHBondContact O-CA 3.21Å; Y183-S207 PolarHBondContact O-N 2.68Å; Y183-S207 PolarHBondContact O-OG 2.91Å; Y183-S207 VanDerWaalsContact O-OG 3.06Å; Y183-D244 PolarHBondContact N-OD1 3.38Å; Y183-D244 PolarHBondContact N-OD2 3.41Å
184	R	88.3	Confident	91.5	Very high	25 Å²	25	23 Å²	23	9%	0.094	12%	0.119	C	C	.	.			trans	67.2	1.8	168.4	-50.6	-168.9	-59.7	-175.5	4.4	119.3	V182 L206 K208 T219 H239 D244	V182-R184 HydrophobicContact CB-CG 3.89Å; V182-R184 HydrophobicContact CG1-CG 3.46Å; V182-R184 VanDerWaalsContact CG1-CG 3.46Å; R184-L206 PolarHBondContact NE-O 3.02Å; R184-L206 PolarHBondContact NH2-O 3.08Å; R184-K208 VanDerWaalsContact CZ-CB 3.49Å; R184-T219 PolarHBondContact NH1-OG1 3.33Å; R184-H239 WeakPolarHBondContact CD-NE2 3.32Å; R184-H239 VanDerWaalsContact CZ-NE2 3.25Å; R184-H239 PolarHBondContact NE-NE2 3.2Å; R184-H239 VanDerWaalsContact NE-NE2 3.13Å; R184-H239 PolarHBondContact NH1-NE2 2.86Å; R184-D244 WeakPolarHBondContact CA-OD1 3.48Å; R184-D244 PolarHBondContact N-OD1 3.35Å
185	D	87.2	Confident	91.3	Very high	7 Å²	7	24.3 Å²	24.3	4%	0.037	12%	0.124	C	C	.	.			trans	-137.5	41.2	178.3	-159.3	32.6	0	0	0	112.5	Y183 K187 N190 L206	Y183-D185 VanDerWaalsContact C-N 3.32Å; Y183-D185 VanDerWaalsContact CE1-C 3.49Å; Y183-D185 PolarHBondContact O-N 2.83Å; D185-K187 PolarHBondContact O-N 3.03Å; D185-K187 IonicContact OD1-NZ 2.79Å; D185-K187 PolarHBondContact OD1-NZ 3.09Å; D185-K187 IonicContact OD2-NZ 2.79Å; D185-K187 PolarHBondContact OD2-NZ 2.96Å; D185-N190 PolarHBondContact O-ND2 2.86Å; D185-N190 PolarHBondContact OD2-ND2 2.9Å; D185-L206 HydrophobicContact CB-CB 4.06Å; D185-L206 HydrophobicContact CB-CD1 4.01Å; D185-L206 HydrophobicContact CB-CG 4.49Å
186	L	93.6	Very high	91.1	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.132	C	C	.	.			trans	-73.6	117.8	176.6	-173.5	67.4	0	0	0	111.2	I169 L173 Y183 V191 L201 Y228 F248 L251	I169-L186 HydrophobicContact CG2-CD1 3.93Å; I169-L186 HydrophobicContact CG2-CD2 3.99Å; L173-L186 HydrophobicContact CD1-CD2 4.15Å; Y183-L186 HydrophobicContact CD1-CB 3.99Å; Y183-L186 HydrophobicContact CE1-CB 3.98Å; Y183-L186 HydrophobicContact CE1-CD1 4.23Å; L186-V191 HydrophobicContact CD1-CG2 4.05Å; L186-L201 HydrophobicContact CD1-CD2 3.82Å; L186-Y228 WeakPolarHBondContact O-CD1 3.5Å; L186-F248 HydrophobicContact CD2-CB 4Å; L186-F248 HydrophobicContact CD2-CD2 4.29Å; L186-L251 HydrophobicContact CD1-CD2 4.09Å; L186-L251 HydrophobicContact CD2-CD2 4.13Å; L186-L251 HydrophobicContact CG-CD2 4.02Å
187	K	89.9	Confident	91.1	Very high	14 Å²	14	25.2 Å²	25.2	6%	0.061	13%	0.132	C	C	.	.	S	Bend	trans	-162.3	158.2	179.5	62.5	-171.3	175.3	-137.1	0	109.4	D185 E189 N190 T225 Y228	D185-K187 PolarHBondContact O-N 3.03Å; D185-K187 IonicContact OD1-NZ 2.79Å; D185-K187 PolarHBondContact OD1-NZ 3.09Å; D185-K187 IonicContact OD2-NZ 2.79Å; D185-K187 PolarHBondContact OD2-NZ 2.96Å; K187-E189 WeakPolarHBondContact CB-OE2 3.43Å; K187-E189 WeakPolarHBondContact CD-OE2 3.46Å; K187-E189 HydrophobicContact CG-CB 4.32Å; K187-E189 VanDerWaalsContact CG-OE2 3.23Å; K187-E189 WeakPolarHBondContact CG-OE2 3.47Å; K187-E189 PolarHBondContact O-N 2.91Å; K187-E189 VanDerWaalsContact O-N 3.1Å; K187-N190 WeakPolarHBondContact CE-ND2 3.46Å; K187-N190 VanDerWaalsContact CE-OD1 3.29Å; K187-N190 WeakPolarHBondContact CE-OD1 3.21Å; K187-N190 HydrophobicContact CG-CB 4.24Å; K187-N190 PolarHBondContact O-N 2.81Å; K187-T225 WeakPolarHBondContact CD-OG1 3.44Å; K187-T225 PolarHBondContact NZ-OG1 3.46Å; K187-Y228 HydrophobicContact CB-CD1 4.21Å; K187-Y228 HydrophobicContact CB-CD2 4.22Å; K187-Y228 HydrophobicContact CB-CE1 3.78Å; K187-Y228 HydrophobicContact CB-CE2 3.77Å; K187-Y228 HydrophobicContact CB-CG 4.42Å
188	P	89.2	Confident	91.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.131	C	C	.	.	G	3₁₀ helix	trans	-58.8	-25	-176.1	-19.8	29.1	0	0	0	114.6	L147 F148 N190 V191 Y228 L251 E254	L147-P188 HydrophobicContact CB-CB 4.36Å; L147-P188 PolarHBondContact N-O 3.4Å; F148-P188 HydrophobicContact CB-CB 3.81Å; F148-P188 HydrophobicContact CD2-CB 4.25Å; F148-P188 PolarHBondContact N-O 3.21Å; F148-P188 VanDerWaalsContact N-O 3.1Å; P188-N190 VanDerWaalsContact C-N 3.29Å; P188-N190 PolarHBondContact O-N 2.92Å; P188-V191 PolarHBondContact O-N 2.84Å; P188-Y228 WeakPolarHBondContact CD-OH 3.42Å; P188-L251 HydrophobicContact CB-CD1 4.34Å; P188-L251 HydrophobicContact CG-CD1 3.59Å; P188-E254 WeakPolarHBondContact CD-OE2 3.45Å; P188-E254 WeakPolarHBondContact CG-OE2 3.41Å
189	E	85.1	Confident	91.4	Very high	58 Å²	58	21.4 Å²	21.4	27%	0.271	11%	0.106	S	C	.	.	G	3₁₀ helix	trans	-69.9	-24.5	177	-55.1	96.2	125.2	0	0	113.2	F148 K187	F148-E189 HydrophobicContact CB-CB 4.46Å; F148-E189 HydrophobicContact CB-CG 3.86Å; F148-E189 HydrophobicContact CD2-CG 4.06Å; F148-E189 HydrophobicContact CG-CG 3.87Å; K187-E189 WeakPolarHBondContact CB-OE2 3.43Å; K187-E189 WeakPolarHBondContact CD-OE2 3.46Å; K187-E189 HydrophobicContact CG-CB 4.32Å; K187-E189 VanDerWaalsContact CG-OE2 3.23Å; K187-E189 WeakPolarHBondContact CG-OE2 3.47Å; K187-E189 PolarHBondContact O-N 2.91Å; K187-E189 VanDerWaalsContact O-N 3.1Å
190	N	91.6	Very high	91.7	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	9%	0.091	C	C	.	.	G	3₁₀ helix	trans	-101	4.1	-179.8	-69.1	2.9	0	0	0	112.7	M1 Y183 D185 K187 P188 T202	M1-N190 WeakPolarHBondContact CE-OD1 3.49Å; Y183-N190 WeakPolarHBondContact OH-CB 3.26Å; D185-N190 PolarHBondContact O-ND2 2.86Å; D185-N190 PolarHBondContact OD2-ND2 2.9Å; K187-N190 WeakPolarHBondContact CE-ND2 3.46Å; K187-N190 VanDerWaalsContact CE-OD1 3.29Å; K187-N190 WeakPolarHBondContact CE-OD1 3.21Å; K187-N190 HydrophobicContact CG-CB 4.24Å; K187-N190 PolarHBondContact O-N 2.81Å; P188-N190 VanDerWaalsContact C-N 3.29Å; P188-N190 PolarHBondContact O-N 2.92Å; N190-T202 HydrophobicContact CB-CG2 4.47Å; N190-T202 PolarHBondContact O-N 2.85Å
191	V	94.9	Very high	92.1	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	102.2	172	-176.6	0	0	0	0	107.4	D146 L147 I169 L186 P188 V199 L201 L251	D146-V191 WeakPolarHBondContact CA-O 3.39Å; L147-V191 HydrophobicContact CB-CB 4.02Å; L147-V191 HydrophobicContact CB-CG1 4.17Å; L147-V191 WeakPolarHBondContact CB-O 3.32Å; L147-V191 HydrophobicContact CD2-CB 4.32Å; L147-V191 HydrophobicContact CD2-CG1 4.01Å; L147-V191 PolarHBondContact N-O 2.91Å; I169-V191 HydrophobicContact CD1-CG1 4.02Å; I169-V191 HydrophobicContact CD1-CG2 3.92Å; I169-V191 HydrophobicContact CG1-CG1 4.48Å; L186-V191 HydrophobicContact CD1-CG2 4.05Å; P188-V191 PolarHBondContact O-N 2.84Å; V191-V199 HydrophobicContact CG1-CB 3.85Å; V191-V199 HydrophobicContact CG1-CG1 3.75Å; V191-L201 HydrophobicContact CG2-CD2 3.93Å; V191-L251 HydrophobicContact CG2-CD2 4.38Å
192	L	94.8	Very high	92.2	Very high	34 Å²	34	18.5 Å²	18.5	18%	0.178	9%	0.089	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	158.1	177.5	-60.1	-175.4	0	0	0	110.8	L142 G145 D146 V199 R200 T202	L142-L192 HydrophobicContact CB-CB 4.18Å; L142-L192 HydrophobicContact CB-CD1 4.41Å; L142-L192 HydrophobicContact CD1-CB 3.67Å; L142-L192 HydrophobicContact CD1-CD1 3.82Å; L142-L192 HydrophobicContact CD1-CG 4.37Å; G145-L192 CarbonylContact O-C 3.52Å; G145-L192 WeakPolarHBondContact O-CA 3.37Å; D146-L192 HydrophobicContact CB-CD2 3.71Å; L192-V199 CarbonylContact O-C 3.34Å; L192-V199 VanDerWaalsContact O-CA 3.24Å; L192-V199 WeakPolarHBondContact O-CA 3.43Å; L192-R200 PolarHBondContact N-O 3.1Å; L192-R200 PolarHBondContact O-N 3.28Å; L192-T202 HydrophobicContact CD1-CG2 3.75Å; L192-T202 HydrophobicContact CD2-CG2 4.43Å; L192-T202 HydrophobicContact CG-CG2 3.75Å
193	L	94	Very high	91.9	Very high	1 Å²	1	19.6 Å²	19.6	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	136.2	176.2	-62	179.9	0	0	0	110.8	L142 G144 G145 L147 Y165 H198 V199 F338 P340	L142-L193 CarbonylContact C-O 3.59Å; G144-L193 WeakPolarHBondContact CA-O 3.22Å; G144-L193 PolarHBondContact N-O 3.15Å; G145-L193 PolarHBondContact O-N 2.91Å; L147-L193 HydrophobicContact CD1-CD1 4.23Å; L147-L193 HydrophobicContact CD1-CD2 4.31Å; Y165-L193 HydrophobicContact CE1-CD2 3.94Å; L193-H198 WeakPolarHBondContact CA-O 3.39Å; L193-V199 HydrophobicContact CD2-CG1 4.07Å; L193-F338 HydrophobicContact CD1-CD1 4.26Å; L193-F338 HydrophobicContact CD1-CE1 4.3Å; L193-P340 HydrophobicContact CB-CG 4.32Å; L193-P340 HydrophobicContact CD1-CG 4.48Å
194	N	92.7	Very high	91.4	Very high	22 Å²	22	19.6 Å²	19.6	12%	0.118	10%	0.095	C	C	.	.			trans	-75.7	-176.9	168.7	82.5	-8.4	0	0	0	111.2	L142 D196 G197 H198 P340	L142-N194 HydrophobicContact CD2-CB 3.86Å; N194-D196 VanDerWaalsContact C-N 3.28Å; N194-D196 PolarHBondContact O-N 3.43Å; N194-D196 PolarHBondContact OD1-N 2.91Å; N194-D196 VanDerWaalsContact OD1-N 3.08Å; N194-G197 PolarHBondContact O-N 2.93Å; N194-G197 PolarHBondContact OD1-N 2.79Å; N194-H198 PolarHBondContact N-O 2.83Å; N194-H198 PolarHBondContact OD1-N 2.97Å; N194-P340 WeakPolarHBondContact O-CG 3.23Å
195	E	91.2	Very high	90.2	Very high	83 Å²	83	19 Å²	19	39%	0.388	10%	0.096	S	C	.	.	S	Bend	trans	-72.8	-15.7	-177	64	-175.9	-155.9	0	0	115.5	R143 K339	R143-E195 HydrophobicContact CB-CB 4.3Å; R143-E195 WeakPolarHBondContact CD-OE2 3.3Å; R143-E195 IonicContact CZ-OE2 2.64Å; R143-E195 IonicContact NE-OE2 2.83Å; R143-E195 IonicContact NH1-OE2 3.39Å; R143-E195 PolarHBondContact NH1-OE2 2.8Å; E195-K339 VanDerWaalsContact O-CE 3.31Å; E195-K339 WeakPolarHBondContact O-CE 3.43Å
196	D	91.8	Very high	88.9	Confident	66 Å²	66	19.6 Å²	19.6	35%	0.353	10%	0.099	S	C	.	.	S	Bend	trans	-91.8	-23.1	173.6	-67.2	-58.6	0	0	0	112.7	N194 K339	N194-D196 VanDerWaalsContact C-N 3.28Å; N194-D196 PolarHBondContact O-N 3.43Å; N194-D196 PolarHBondContact OD1-N 2.91Å; N194-D196 VanDerWaalsContact OD1-N 3.08Å; D196-K339 IonicContact OD1-NZ 2.7Å; D196-K339 PolarHBondContact OD1-NZ 3.4Å
197	G	93.1	Very high	87.1	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.1	C	C	.	.	S	Bend	trans	111.4	7.4	178.8	0	0	0	0	0	115.6	Y165 N194 F338	Y165-G197 WeakPolarHBondContact CE1-O 3.39Å; N194-G197 PolarHBondContact O-N 2.93Å; N194-G197 PolarHBondContact OD1-N 2.79Å; G197-F338 WeakPolarHBondContact CA-O 3.25Å
198	H	96.5	Very high	86	Confident	22 Å²	22	22.6 Å²	22.6	10%	0.102	11%	0.113	C	C	.	.			trans	-75.8	149.6	172.5	-65.3	-82.8	0	0	0	111.3	Y121 F164 E168 L193 N194 I334 P336	Y121-H198 HydrophobicContact CE1-CB 4.33Å; F164-H198 AromaticContact CZ-ND1 3.84Å; E168-H198 IonicContact OE1-CE1 2.64Å; E168-H198 IonicContact OE1-CG 3.08Å; E168-H198 IonicContact OE1-ND1 2.74Å; E168-H198 PolarHBondContact OE1-ND1 3.05Å; L193-H198 WeakPolarHBondContact CA-O 3.39Å; N194-H198 PolarHBondContact N-O 2.83Å; N194-H198 PolarHBondContact OD1-N 2.97Å; H198-I334 PolarHBondContact CE1-O 3.33Å; H198-I334 VanDerWaalsContact CE1-O 3.32Å; H198-P336 WeakPolarHBondContact NE2-CD 3.28Å; H198-P336 WeakPolarHBondContact NE2-CG 3.42Å
199	V	97.1	Very high	84.5	Confident	0 Å²	0	26 Å²	26	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76	159.7	-179.7	-51.4	0	0	0	0	113.6	Y121 Y165 E168 I169 V191 L192 L193	Y121-V199 HydrophobicContact CD1-CG2 4.04Å; Y121-V199 HydrophobicContact CG-CG2 4.26Å; Y165-V199 HydrophobicContact CD1-CG1 3.44Å; Y165-V199 VanDerWaalsContact CD1-CG1 3.44Å; Y165-V199 HydrophobicContact CE1-CG1 4.13Å; Y165-V199 HydrophobicContact CG-CG1 4.26Å; E168-V199 HydrophobicContact CB-CG2 3.5Å; E168-V199 VanDerWaalsContact CB-CG2 3.5Å; E168-V199 HydrophobicContact CG-CG2 4.49Å; E168-V199 PolarHBondContact OE2-N 3.22Å; I169-V199 HydrophobicContact CG1-CG2 4.11Å; V191-V199 HydrophobicContact CG1-CB 3.85Å; V191-V199 HydrophobicContact CG1-CG1 3.75Å; L192-V199 CarbonylContact O-C 3.34Å; L192-V199 VanDerWaalsContact O-CA 3.24Å; L192-V199 WeakPolarHBondContact O-CA 3.43Å; L193-V199 HydrophobicContact CD2-CG1 4.07Å
200	R	96.4	Very high	82.7	Confident	38 Å²	38	23.7 Å²	23.7	14%	0.143	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	130.1	158	-57.8	-71	-174.7	-90.9	12.6	109.3	P120 Y121 E140 L142 L192	P120-R200 WeakPolarHBondContact O-CD 3.39Å; P120-R200 PolarHBondContact O-NE 2.94Å; P120-R200 VanDerWaalsContact O-NE 3.13Å; P120-R200 PolarHBondContact O-NH1 3.12Å; P120-R200 PolarHBondContact O-NH2 3.05Å; Y121-R200 WeakPolarHBondContact O-CA 3.43Å; E140-R200 IonicContact OE1-NE 2.68Å; L142-R200 HydrophobicContact CD1-CB 3.51Å; L142-R200 HydrophobicContact CD1-CG 3.55Å; L142-R200 HydrophobicContact CD2-CG 3.65Å; L142-R200 HydrophobicContact CG-CG 4.25Å; L192-R200 PolarHBondContact N-O 3.1Å; L192-R200 PolarHBondContact O-N 3.28Å
201	L	96.3	Very high	80.5	Confident	0 Å²	0	29 Å²	29	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	136.9	167.6	-61.6	-174	0	0	0	110.5	Y121 V123 I169 A172 L173 L176 L186 V191 F204	Y121-L201 PolarHBondContact O-N 3.05Å; V123-L201 WeakPolarHBondContact CB-O 3.12Å; V123-L201 WeakPolarHBondContact CG1-O 3.36Å; V123-L201 PolarHBondContact N-O 3.08Å; I169-L201 HydrophobicContact CG1-CD2 4.35Å; I169-L201 HydrophobicContact CG2-CD2 4.44Å; A172-L201 HydrophobicContact CB-CD1 3.66Å; A172-L201 HydrophobicContact CB-CG 4.09Å; L173-L201 HydrophobicContact CD2-CD1 4.31Å; L176-L201 HydrophobicContact CD1-CD1 4.48Å; L186-L201 HydrophobicContact CD1-CD2 3.82Å; V191-L201 HydrophobicContact CG2-CD2 3.93Å; L201-F204 HydrophobicContact CB-CZ 4.31Å
202	T	91.6	Very high	77.9	Confident	18 Å²	18	36 Å²	36	11%	0.11	18%	0.177	C	C	.	.			trans	-128.5	-176.1	178.7	-164.7	0	0	0	0	112.4	Y183 N190 L192	Y183-T202 PolarHBondContact OH-O 3.49Å; N190-T202 HydrophobicContact CB-CG2 4.47Å; N190-T202 PolarHBondContact O-N 2.85Å; L192-T202 HydrophobicContact CD1-CG2 3.75Å; L192-T202 HydrophobicContact CD2-CG2 4.43Å; L192-T202 HydrophobicContact CG-CG2 3.75Å
203	D	82.3	Confident	75.4	Confident	23 Å²	23	38.9 Å²	38.9	12%	0.123	19%	0.189	C	C	.	.			trans	51.7	65.3	175.9	-160.2	28.9	0	0	0	115.6	M1 K92 G205	M1-D203 HydrophobicContact CE-CB 3.96Å; M1-D203 WeakPolarHBondContact CE-OD2 3.44Å; K92-D203 IonicContact NZ-OD1 2.77Å; K92-D203 PolarHBondContact NZ-OD1 3.12Å; D203-G205 PolarHBondContact O-N 2.88Å
204	F	81.4	Confident	72.9	Confident	0 Å²	0	44.6 Å²	44.6	0%	0	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-73.7	9.7	178.2	-70.6	-97.9	0	0	0	113.7	E110 I113 L114 I117 I122 V123 L176 Y183 L201 L206 S207	E110-F204 HydrophobicContact CB-CB 4.45Å; E110-F204 HydrophobicContact CG-CB 4.15Å; E110-F204 PolarHBondContact OE1-N 3.3Å; I113-F204 HydrophobicContact CG2-CB 4.42Å; I113-F204 HydrophobicContact CG2-CD1 3.83Å; I113-F204 HydrophobicContact CG2-CE1 4.48Å; I113-F204 HydrophobicContact CG2-CG 4.26Å; L114-F204 HydrophobicContact CD1-CD2 4.42Å; L114-F204 HydrophobicContact CD2-CD2 3.68Å; L114-F204 HydrophobicContact CD2-CE2 3.92Å; L114-F204 HydrophobicContact CD2-CG 4.37Å; L114-F204 HydrophobicContact CG-CD2 4.12Å; L114-F204 HydrophobicContact CG-CG 4.45Å; I117-F204 HydrophobicContact CD1-CD1 4.47Å; I117-F204 HydrophobicContact CD1-CE1 4Å; I117-F204 HydrophobicContact CD1-CZ 4.11Å; I122-F204 HydrophobicContact CG1-CZ 4.49Å; I122-F204 HydrophobicContact CG2-CE2 3.72Å; I122-F204 HydrophobicContact CG2-CZ 3.47Å; I122-F204 VanDerWaalsContact CG2-CZ 3.47Å; V123-F204 HydrophobicContact CG1-CE2 4.24Å; L176-F204 HydrophobicContact CD1-CE1 3.72Å; L176-F204 HydrophobicContact CD1-CZ 4.27Å; L176-F204 HydrophobicContact CD2-CE1 3.74Å; L176-F204 HydrophobicContact CG-CE1 4.39Å; Y183-F204 AromaticContact CD2-CD1 3.89Å; Y183-F204 HydrophobicContact CD2-CD1 3.89Å; Y183-F204 AromaticContact CD2-CE1 3.63Å; Y183-F204 HydrophobicContact CD2-CE1 3.63Å; Y183-F204 HydrophobicContact CD2-CZ 4.17Å; Y183-F204 HydrophobicContact CE2-CD1 4.04Å; Y183-F204 AromaticContact CE2-CE1 3.83Å; Y183-F204 HydrophobicContact CE2-CE1 3.83Å; Y183-F204 HydrophobicContact CE2-CE2 4.33Å; Y183-F204 HydrophobicContact CE2-CG 4.37Å; Y183-F204 AromaticContact CE2-CZ 3.97Å; Y183-F204 HydrophobicContact CE2-CZ 3.97Å; L201-F204 HydrophobicContact CB-CZ 4.31Å; F204-L206 PolarHBondContact O-N 2.99Å; F204-S207 WeakPolarHBondContact CD1-OG 3.46Å; F204-S207 WeakPolarHBondContact O-CB 3.26Å; F204-S207 PolarHBondContact O-N 3.48Å; F204-S207 PolarHBondContact O-OG 2.74Å
205	G	63.9	Low	70.2	Confident	12 Å²	12	47.1 Å²	47.1	12%	0.124	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-62.1	-13.6	-179.6	0	0	0	0	0	115.2	R106 D203	R106-G205 VanDerWaalsContact CB-O 3.23Å; R106-G205 WeakPolarHBondContact CB-O 3.28Å; R106-G205 WeakPolarHBondContact CD-O 3.45Å; R106-G205 WeakPolarHBondContact CG-O 3.39Å; D203-G205 PolarHBondContact O-N 2.88Å
206	L	59.1	Low	67.6	Low	19 Å²	19	46 Å²	46	10%	0.099	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-111.5	-1.3	172.3	-67.1	-170.6	0	0	0	114.3	R184 D185 F204 C223	R184-L206 PolarHBondContact NE-O 3.02Å; R184-L206 PolarHBondContact NH2-O 3.08Å; D185-L206 HydrophobicContact CB-CB 4.06Å; D185-L206 HydrophobicContact CB-CD1 4.01Å; D185-L206 HydrophobicContact CB-CG 4.49Å; F204-L206 PolarHBondContact O-N 2.99Å; L206-C223 HydrophobicContact CD1-CB 4.31Å; L206-C223 HydrophobicContact CD2-CB 3.87Å
207	S	57	Low	65	Low	3 Å²	3	48.8 Å²	48.8	2%	0.021	28%	0.279	C	S	.	.			trans	-67.3	161.1	177.4	-52.4	0	0	0	0	111.7	L109 V182 Y183 F204	L109-S207 WeakPolarHBondContact CD2-O 3.22Å; V182-S207 CarbonylContact O-C 3.48Å; V182-S207 WeakPolarHBondContact O-CA 3.19Å; V182-S207 WeakPolarHBondContact O-CB 3.33Å; Y183-S207 WeakPolarHBondContact CD2-OG 3.46Å; Y183-S207 WeakPolarHBondContact O-CA 3.21Å; Y183-S207 PolarHBondContact O-N 2.68Å; Y183-S207 PolarHBondContact O-OG 2.91Å; Y183-S207 VanDerWaalsContact O-OG 3.06Å; F204-S207 WeakPolarHBondContact CD1-OG 3.46Å; F204-S207 WeakPolarHBondContact O-CB 3.26Å; F204-S207 PolarHBondContact O-N 3.48Å; F204-S207 PolarHBondContact O-OG 2.74Å
208	K	65.5	Low	62.8	Low	76 Å²	76	56 Å²	56	33%	0.33	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	137.8	175.1	174.4	167.5	172.4	-176.9	0	111.5	V182 R184 S210 T219	V182-K208 PolarHBondContact N-O 2.91Å; V182-K208 PolarHBondContact O-N 3.46Å; R184-K208 VanDerWaalsContact CZ-CB 3.49Å; K208-S210 PolarHBondContact O-N 3.1Å; K208-T219 HydrophobicContact CD-CG2 3.69Å; K208-T219 HydrophobicContact CG-CG2 4.27Å
209	E	58.3	Low	60	Low	71 Å²	71	55.1 Å²	55.1	33%	0.332	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62	113.7	165.8	-63.2	170.9	153.9	0	0	109.6	R116 G180	R116-E209 IonicContact CZ-OE1 2.82Å; R116-E209 IonicContact NH1-OE1 2.72Å; R116-E209 PolarHBondContact NH1-OE1 3.1Å; G180-E209 CarbonylContact O-C 3.58Å; G180-E209 VanDerWaalsContact O-CA 3.29Å; G180-E209 WeakPolarHBondContact O-CA 3.3Å
210	S	48	Very low	57.3	Low	10 Å²	10	62.7 Å²	62.7	7%	0.07	33%	0.332	C	S	.	.			trans	-103.5	96.1	163.4	59.4	0	0	0	0	107.9	G180 V182 K208 F212	G180-S210 CarbonylContact O-C 3.57Å; G180-S210 PolarHBondContact O-N 3.46Å; G180-S210 PolarHBondContact O-OG 3.42Å; V182-S210 WeakPolarHBondContact CG2-OG 3.41Å; K208-S210 PolarHBondContact O-N 3.1Å; S210-F212 PolarHBondContact O-N 3.01Å
211	I	44.4	Very low	54.6	Low	111 Å²	111	63.6 Å²	63.6	57%	0.569	34%	0.344	S	S	*	.			trans	-73.4	92.8	-177.6	-60.1	173.5	0	0	0	108.4
212	F	40.9	Very low	51.7	Low	147 Å²	147	67.3 Å²	67.3	65%	0.645	36%	0.36	S	S	*	.			trans	55	121.3	172.8	-56.4	-77.3	0	0	0	117.4	S210 S214 A215	S210-F212 PolarHBondContact O-N 3.01Å; F212-S214 PolarHBondContact O-N 3.16Å; F212-A215 PolarHBondContact O-N 3.4Å
213	E	42.2	Very low	49.3	Very low	95 Å²	95	67 Å²	67	44%	0.444	36%	0.358	S	S	.	.	G	3₁₀ helix	trans	-62.7	-6.9	-179.9	-59.5	-165.1	133.7	0	0	114.6	A215 T241	E213-A215 VanDerWaalsContact C-N 3.33Å; E213-A215 PolarHBondContact O-N 3.34Å; E213-T241 PolarHBondContact OE1-N 3.39Å; E213-T241 PolarHBondContact OE1-OG1 3.06Å
214	S	41.1	Very low	47.9	Very low	121 Å²	121	67 Å²	67	85%	0.846	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-76.1	-6.6	-179.5	-50.5	0	0	0	0	115.4	F212	F212-S214 PolarHBondContact O-N 3.16Å
215	A	35.4	Very low	47.2	Very low	74 Å²	74	68.5 Å²	68.5	61%	0.612	37%	0.373	S	S	*	.	G	3₁₀ helix	trans	-138.3	39.2	-172.8	0	0	0	0	0	115.3	F212 E213 D217	F212-A215 PolarHBondContact O-N 3.4Å; E213-A215 VanDerWaalsContact C-N 3.33Å; E213-A215 PolarHBondContact O-N 3.34Å; A215-D217 PolarHBondContact O-N 3.38Å
216	G	37.2	Very low	48	Very low	59 Å²	59	68.4 Å²	68.4	61%	0.608	37%	0.37	S	S	*	.			trans	70.7	-7.3	162.8	0	0	0	0	0	117.8	R218	G216-R218 PolarHBondContact O-N 3.37Å
217	D	38.2	Very low	49.3	Very low	126 Å²	126	68.6 Å²	68.6	67%	0.674	37%	0.37	S	S	*	.			trans	-74.4	63	-174.4	-93.7	-15.8	0	0	0	114.2	A215	A215-D217 PolarHBondContact O-N 3.38Å
218	R	45.9	Very low	51	Low	152 Å²	152	68.8 Å²	68.8	57%	0.574	37%	0.37	S	S	*	.			trans	-67.2	136.9	172.3	-70.7	-178.3	177.9	-177.1	1.9	110.9	G216 Y220 G238	G216-R218 PolarHBondContact O-N 3.37Å; R218-Y220 HydrophobicContact CB-CE2 4.43Å; R218-Y220 VanDerWaalsContact O-CD2 3.25Å; R218-Y220 WeakPolarHBondContact O-CD2 3.44Å; R218-Y220 WeakPolarHBondContact O-CE2 3.5Å; R218-G238 WeakPolarHBondContact CB-O 3.48Å; R218-G238 WeakPolarHBondContact CD-O 3.05Å; R218-G238 WeakPolarHBondContact CG-O 3.41Å
219	T	38.1	Very low	52.1	Low	3 Å²	3	65.5 Å²	65.5	2%	0.018	36%	0.356	C	S	.	.	B	Isolated β-bridge	trans	-93.2	124.4	-178.7	84.4	0	0	0	0	111.9	R184 K208 G238 H239	R184-T219 PolarHBondContact NH1-OG1 3.33Å; K208-T219 HydrophobicContact CD-CG2 3.69Å; K208-T219 HydrophobicContact CG-CG2 4.27Å; T219-G238 CarbonylContact O-C 3.5Å; T219-G238 WeakPolarHBondContact O-CA 3.49Å; T219-H239 PolarHBondContact N-O 3.33Å; T219-H239 VanDerWaalsContact N-O 3.17Å; T219-H239 PolarHBondContact O-CE1 3.05Å; T219-H239 PolarHBondContact O-N 2.89Å; T219-H239 PolarHBondContact O-ND1 3.4Å; T219-H239 PolarHBondContact OG1-CD2 3.11Å; T219-H239 PolarHBondContact OG1-NE2 2.78Å; T219-H239 PolarHBondContact OG1-O 3.26Å
220	Y	40	Very low	53.7	Low	158 Å²	158	62.1 Å²	62.1	62%	0.62	34%	0.341	S	S	*	.			trans	-95	10.2	-171.8	-61.7	-88.7	0	0	0	115.1	R218 R236	R218-Y220 HydrophobicContact CB-CE2 4.43Å; R218-Y220 VanDerWaalsContact O-CD2 3.25Å; R218-Y220 WeakPolarHBondContact O-CD2 3.44Å; R218-Y220 WeakPolarHBondContact O-CE2 3.5Å; Y220-R236 WeakPolarHBondContact CD1-O 3.37Å
221	S	39.8	Very low	55.8	Low	57 Å²	57	62.1 Å²	62.1	40%	0.399	34%	0.34	S	S	.	.			trans	-83.6	119.7	-170.7	-63.5	0	0	0	0	112.8	C223 H239	S221-C223 PolarHBondContact O-N 2.65Å; S221-H239 PolarHBondContact N-CE1 2.78Å; S221-H239 PolarHBondContact O-CE1 2.78Å
222	F	35.1	Very low	58	Low	79 Å²	79	57.5 Å²	57.5	35%	0.346	32%	0.316	S	S	.	.			trans	-75.4	102	171.6	-172.6	-91	0	0	0	110.9	V226 M229 M271	F222-V226 HydrophobicContact CZ-CG2 4.04Å; F222-M229 HydrophobicContact CD1-CE 4.33Å; F222-M229 HydrophobicContact CD2-CE 4.4Å; F222-M229 HydrophobicContact CD2-SD 4.13Å; F222-M229 HydrophobicContact CE1-CE 3.84Å; F222-M229 HydrophobicContact CE1-SD 4.42Å; F222-M229 HydrophobicContact CE2-CE 3.92Å; F222-M229 HydrophobicContact CE2-SD 3.44Å; F222-M229 WeakPolarHBondContact CE2-SD 3.25Å; F222-M229 HydrophobicContact CZ-CE 3.59Å; F222-M229 HydrophobicContact CZ-SD 3.59Å; F222-M229 VanDerWaalsContact CZ-SD 3.59Å; F222-M271 HydrophobicContact CE1-CE 4.29Å; F222-M271 HydrophobicContact CE2-CE 3.78Å; F222-M271 HydrophobicContact CZ-CE 3.31Å
223	C	42.3	Very low	60.2	Low	11 Å²	11	50.8 Å²	50.8	7%	0.074	29%	0.288	C	S	.	.			trans	-158.4	150.8	176.3	55.5	0	0	0	0	112.5	L206 S221 M229	L206-C223 HydrophobicContact CD1-CB 4.31Å; L206-C223 HydrophobicContact CD2-CB 3.87Å; S221-C223 PolarHBondContact O-N 2.65Å; C223-M229 VanDerWaalsContact C-CE 3.48Å
224	G	51.5	Low	62.2	Low	22 Å²	22	47 Å²	47	23%	0.227	27%	0.271	C	S	.	.	S	Bend	trans	126.2	169.1	-172.2	0	0	0	0	0	110.6	V226 M229	G224-V226 PolarHBondContact O-N 3.08Å; G224-M229 WeakPolarHBondContact O-CE 3.4Å
225	T	66.4	Low	64	Low	32 Å²	32	43.5 Å²	43.5	20%	0.196	25%	0.246	C	C	.	.			trans	-70.9	120.9	164.9	-48.1	0	0	0	0	107.7	K187 E227 Y228 M229	K187-T225 WeakPolarHBondContact CD-OG1 3.44Å; K187-T225 PolarHBondContact NZ-OG1 3.46Å; T225-E227 HydrophobicContact CG2-CB 3.9Å; T225-E227 HydrophobicContact CG2-CG 4.37Å; T225-E227 WeakPolarHBondContact CG2-OE2 3.29Å; T225-E227 PolarHBondContact O-N 3.17Å; T225-E227 VanDerWaalsContact O-N 3.1Å; T225-Y228 HydrophobicContact CG2-CD2 4.12Å; T225-Y228 HydrophobicContact CG2-CE2 4.28Å; T225-Y228 PolarHBondContact O-N 3.38Å; T225-M229 PolarHBondContact O-N 2.86Å
226	V	81.4	Confident	65.8	Low	10 Å²	10	47.8 Å²	47.8	6%	0.061	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-54.5	-39.9	-168	177.5	0	0	0	0	111.7	F222 G224 Y228 M229 R267 T270 M271 I274	F222-V226 HydrophobicContact CZ-CG2 4.04Å; G224-V226 PolarHBondContact O-N 3.08Å; V226-Y228 PolarHBondContact O-N 3.27Å; V226-Y228 VanDerWaalsContact O-N 3.12Å; V226-M229 HydrophobicContact CG2-CE 4.14Å; V226-M229 HydrophobicContact CG2-SD 4.41Å; V226-M229 WeakPolarHBondContact O-CB 3.44Å; V226-M229 PolarHBondContact O-N 2.98Å; V226-R267 HydrophobicContact CB-CG 4.43Å; V226-R267 HydrophobicContact CG1-CG 4.2Å; V226-R267 HydrophobicContact CG2-CG 4.01Å; V226-T270 HydrophobicContact CG1-CG2 4.42Å; V226-M271 HydrophobicContact CG1-CE 3.98Å; V226-M271 HydrophobicContact CG1-CG 3.71Å; V226-M271 HydrophobicContact CG2-CE 4.27Å; V226-I274 WeakPolarHBondContact O-CD1 3.4Å
227	E	87.6	Confident	66.9	Low	24 Å²	24	50.8 Å²	50.8	11%	0.112	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-40.8	-29.2	168.5	-79.1	81	-169.2	0	0	117.2	T225 L785 R789	T225-E227 HydrophobicContact CG2-CB 3.9Å; T225-E227 HydrophobicContact CG2-CG 4.37Å; T225-E227 WeakPolarHBondContact CG2-OE2 3.29Å; T225-E227 PolarHBondContact O-N 3.17Å; T225-E227 VanDerWaalsContact O-N 3.1Å; E227-L785 HydrophobicContact CB-CD2 4.14Å; E227-L785 HydrophobicContact CG-CD2 3.82Å; E227-R789 VanDerWaalsContact CG-NH2 3.32Å; E227-R789 PolarHBondContact O-NH2 3.07Å; E227-R789 VanDerWaalsContact O-NH2 3.11Å
228	Y	90.7	Very high	67.9	Low	6 Å²	6	45.1 Å²	45.1	2%	0.024	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-114.9	-7.3	-179.3	-62.6	-104.6	0	0	0	112.9	L186 K187 P188 T225 V226 S247 V250 E254 L260 L785	L186-Y228 WeakPolarHBondContact O-CD1 3.5Å; K187-Y228 HydrophobicContact CB-CD1 4.21Å; K187-Y228 HydrophobicContact CB-CD2 4.22Å; K187-Y228 HydrophobicContact CB-CE1 3.78Å; K187-Y228 HydrophobicContact CB-CE2 3.77Å; K187-Y228 HydrophobicContact CB-CG 4.42Å; P188-Y228 WeakPolarHBondContact CD-OH 3.42Å; T225-Y228 HydrophobicContact CG2-CD2 4.12Å; T225-Y228 HydrophobicContact CG2-CE2 4.28Å; T225-Y228 PolarHBondContact O-N 3.38Å; V226-Y228 PolarHBondContact O-N 3.27Å; V226-Y228 VanDerWaalsContact O-N 3.12Å; Y228-S247 PolarHBondContact O-OG 2.86Å; Y228-S247 VanDerWaalsContact O-OG 3.1Å; Y228-V250 HydrophobicContact CD1-CB 3.89Å; Y228-V250 HydrophobicContact CD1-CG1 3.3Å; Y228-V250 HydrophobicContact CE1-CG1 3.7Å; Y228-V250 HydrophobicContact CG-CG1 3.82Å; Y228-E254 PolarHBondContact OH-OE2 3.36Å; Y228-L260 HydrophobicContact CD1-CD2 4.23Å; Y228-L260 HydrophobicContact CE1-CD2 3.54Å; Y228-L260 HydrophobicContact CE2-CD2 4.12Å; Y228-L260 VanDerWaalsContact CZ-CD2 3.5Å; Y228-L785 HydrophobicContact CE2-CD1 4.44Å; Y228-L785 HydrophobicContact CE2-CD2 4.24Å
229	M	88.9	Confident	68.7	Low	7 Å²	7	38.1 Å²	38.1	3%	0.034	19%	0.19	C	C	.	.			trans	-63.6	137.9	-178	-68.6	-176.6	-178.2	0	0	112.1	F222 C223 G224 T225 V226 V233 V234 W246 I274	F222-M229 HydrophobicContact CD1-CE 4.33Å; F222-M229 HydrophobicContact CD2-CE 4.4Å; F222-M229 HydrophobicContact CD2-SD 4.13Å; F222-M229 HydrophobicContact CE1-CE 3.84Å; F222-M229 HydrophobicContact CE1-SD 4.42Å; F222-M229 HydrophobicContact CE2-CE 3.92Å; F222-M229 HydrophobicContact CE2-SD 3.44Å; F222-M229 WeakPolarHBondContact CE2-SD 3.25Å; F222-M229 HydrophobicContact CZ-CE 3.59Å; F222-M229 HydrophobicContact CZ-SD 3.59Å; F222-M229 VanDerWaalsContact CZ-SD 3.59Å; C223-M229 VanDerWaalsContact C-CE 3.48Å; G224-M229 WeakPolarHBondContact O-CE 3.4Å; T225-M229 PolarHBondContact O-N 2.86Å; V226-M229 HydrophobicContact CG2-CE 4.14Å; V226-M229 HydrophobicContact CG2-SD 4.41Å; V226-M229 WeakPolarHBondContact O-CB 3.44Å; V226-M229 PolarHBondContact O-N 2.98Å; M229-V233 HydrophobicContact CB-CB 4.24Å; M229-V233 HydrophobicContact CB-CG1 4.24Å; M229-V233 HydrophobicContact CG-CG1 4.08Å; M229-V233 HydrophobicContact SD-CG1 4.03Å; M229-V234 HydrophobicContact CB-CG2 3.6Å; M229-V234 HydrophobicContact SD-CG2 4.26Å; M229-W246 PolarHBondContact O-NE1 2.82Å; M229-W246 VanDerWaalsContact O-NE1 3.08Å; M229-I274 WeakPolarHBondContact O-CG2 3.33Å
230	A	92.2	Very high	70.7	Confident	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.198	C	C	.	.			trans	-70.3	154.6	171.4	0	0	0	0	0	112.2	E232 V233 V234 A243 W246	A230-E232 HydrophobicContact CB-CG 4.28Å; A230-E232 WeakPolarHBondContact CB-OE1 3.46Å; A230-E232 WeakPolarHBondContact CB-OE2 3.19Å; A230-E232 PolarHBondContact O-N 3.1Å; A230-V233 HydrophobicContact CB-CG2 4.06Å; A230-V233 WeakPolarHBondContact O-CB 2.99Å; A230-V233 PolarHBondContact O-N 3.36Å; A230-V234 PolarHBondContact O-N 2.59Å; A230-A243 HydrophobicContact CB-CB 4Å; A230-W246 VanDerWaalsContact CA-CD1 3.46Å; A230-W246 HydrophobicContact CB-CB 3.66Å; A230-W246 HydrophobicContact CB-CD2 4.31Å; A230-W246 HydrophobicContact CB-CG 3.7Å
231	P	92.9	Very high	73.1	Confident	10 Å²	10	32 Å²	32	7%	0.065	17%	0.173	C	C	.	.	H	α-helix	trans	-54.9	-36	-179.5	-27.7	36	0	0	0	114.2	S235 W246 I274 L275 R299	P231-S235 VanDerWaalsContact O-CB 3.3Å; P231-S235 WeakPolarHBondContact O-CB 3.42Å; P231-S235 PolarHBondContact O-N 3.45Å; P231-S235 PolarHBondContact O-OG 3.4Å; P231-W246 HydrophobicContact CG-CD2 4.45Å; P231-W246 HydrophobicContact CG-CE3 4.1Å; P231-W246 HydrophobicContact CG-CH2 3.55Å; P231-W246 HydrophobicContact CG-CZ2 3.94Å; P231-W246 HydrophobicContact CG-CZ3 3.64Å; P231-I274 HydrophobicContact CB-CG2 4.46Å; P231-I274 HydrophobicContact CG-CG2 4.04Å; P231-L275 HydrophobicContact CB-CD2 4.17Å; P231-L275 WeakPolarHBondContact O-CD2 3.25Å; P231-R299 HydrophobicContact CG-CB 4.39Å; P231-R299 HydrophobicContact CG-CG 4.12Å
232	E	90.2	Very high	75.6	Confident	14 Å²	14	29.5 Å²	29.5	7%	0.065	16%	0.155	C	C	.	.	H	α-helix	trans	-64.8	-42.4	174.4	63.6	-85.5	-158.9	0	0	112.2	A230 S235 R236 H237 H239 P301 R304	A230-E232 HydrophobicContact CB-CG 4.28Å; A230-E232 WeakPolarHBondContact CB-OE1 3.46Å; A230-E232 WeakPolarHBondContact CB-OE2 3.19Å; A230-E232 PolarHBondContact O-N 3.1Å; E232-S235 CarbonylContact O-C 3.58Å; E232-S235 PolarHBondContact O-N 2.88Å; E232-S235 PolarHBondContact O-OG 2.84Å; E232-R236 PolarHBondContact O-N 3.31Å; E232-H237 CarbonylContact C-O 3.5Å; E232-H237 PolarHBondContact O-N 2.82Å; E232-H237 VanDerWaalsContact O-N 3.12Å; E232-H237 VanDerWaalsContact O-O 3.06Å; E232-H239 HydrophobicContact CG-CB 3.92Å; E232-P301 HydrophobicContact CB-CG 4.26Å; E232-P301 HydrophobicContact CG-CG 4.07Å; E232-R304 IonicContact OE1-CZ 2.73Å; E232-R304 IonicContact OE1-NH1 3.69Å; E232-R304 PolarHBondContact OE1-NH1 2.97Å; E232-R304 IonicContact OE1-NH2 2.9Å; E232-R304 PolarHBondContact OE1-NH2 2.87Å; E232-R304 IonicContact OE2-CZ 3.9Å; E232-R304 IonicContact OE2-NH1 3.91Å; E232-R304 IonicContact OE2-NH2 2.71Å; E232-R304 PolarHBondContact OE2-NH2 2.74Å
233	V	86.9	Confident	78.4	Confident	7 Å²	7	25.9 Å²	25.9	4%	0.042	14%	0.14	C	C	.	.	H	α-helix	trans	-63.8	-46	175.7	-175.4	0	0	0	0	110.5	M229 A230 R236 H239 A243	M229-V233 HydrophobicContact CB-CB 4.24Å; M229-V233 HydrophobicContact CB-CG1 4.24Å; M229-V233 HydrophobicContact CG-CG1 4.08Å; M229-V233 HydrophobicContact SD-CG1 4.03Å; A230-V233 HydrophobicContact CB-CG2 4.06Å; A230-V233 WeakPolarHBondContact O-CB 2.99Å; A230-V233 PolarHBondContact O-N 3.36Å; V233-R236 PolarHBondContact O-N 3.49Å; V233-H239 HydrophobicContact CG2-CB 3.9Å; V233-A243 HydrophobicContact CG2-CB 3.81Å
234	V	84.3	Confident	80.9	Confident	16 Å²	16	25.3 Å²	25.3	10%	0.097	14%	0.136	C	C	.	.	H	α-helix	trans	-63.2	-42.7	178.7	174.5	0	0	0	0	111.3	M229 A230 R236 M271 I274 L275	M229-V234 HydrophobicContact CB-CG2 3.6Å; M229-V234 HydrophobicContact SD-CG2 4.26Å; A230-V234 PolarHBondContact O-N 2.59Å; V234-R236 VanDerWaalsContact C-N 3.28Å; V234-R236 PolarHBondContact O-N 3.23Å; V234-M271 HydrophobicContact CG1-CB 3.74Å; V234-M271 HydrophobicContact CG1-CG 3.87Å; V234-I274 HydrophobicContact CG2-CB 4.49Å; V234-I274 HydrophobicContact CG2-CD1 4.2Å; V234-I274 HydrophobicContact CG2-CG2 3.92Å; V234-L275 HydrophobicContact CB-CD2 4.28Å; V234-L275 HydrophobicContact CG1-CD1 4.03Å; V234-L275 HydrophobicContact CG1-CD2 4.15Å; V234-L275 HydrophobicContact CG1-CG 3.95Å
235	S	80.2	Confident	83	Confident	46 Å²	46	24.4 Å²	24.4	32%	0.322	13%	0.126	S	C	.	.	H	α-helix	trans	-81.4	-2.8	179.4	61.7	0	0	0	0	114.3	P231 E232 H237	P231-S235 VanDerWaalsContact O-CB 3.3Å; P231-S235 WeakPolarHBondContact O-CB 3.42Å; P231-S235 PolarHBondContact O-N 3.45Å; P231-S235 PolarHBondContact O-OG 3.4Å; E232-S235 CarbonylContact O-C 3.58Å; E232-S235 PolarHBondContact O-N 2.88Å; E232-S235 PolarHBondContact O-OG 2.84Å; S235-H237 WeakPolarHBondContact CB-ND1 3.35Å; S235-H237 PolarHBondContact O-N 2.84Å; S235-H237 PolarHBondContact O-ND1 3.08Å; S235-H237 PolarHBondContact OG-ND1 3.04Å
236	R	71.5	Confident	84.5	Confident	165 Å²	165	23 Å²	23	62%	0.623	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	17.4	-176.7	-50.6	-178.3	-177.9	-176.8	1.4	114.8	Y220 E232 V233 V234 G238	Y220-R236 WeakPolarHBondContact CD1-O 3.37Å; E232-R236 PolarHBondContact O-N 3.31Å; V233-R236 PolarHBondContact O-N 3.49Å; V234-R236 VanDerWaalsContact C-N 3.28Å; V234-R236 PolarHBondContact O-N 3.23Å; R236-G238 PolarHBondContact O-N 2.91Å
237	H	60.5	Low	85.2	Confident	121 Å²	121	22.8 Å²	22.8	56%	0.56	12%	0.116	S	C	*	.			trans	-74	108.6	163.1	-63.2	89.2	0	0	0	105.7	E232 S235	E232-H237 CarbonylContact C-O 3.5Å; E232-H237 PolarHBondContact O-N 2.82Å; E232-H237 VanDerWaalsContact O-N 3.12Å; E232-H237 VanDerWaalsContact O-O 3.06Å; S235-H237 WeakPolarHBondContact CB-ND1 3.35Å; S235-H237 PolarHBondContact O-N 2.84Å; S235-H237 PolarHBondContact O-ND1 3.08Å; S235-H237 PolarHBondContact OG-ND1 3.04Å
238	G	59.6	Low	85.7	Confident	8 Å²	8	21.6 Å²	21.6	8%	0.082	11%	0.111	C	C	.	.			trans	-56.1	145.4	-160.7	0	0	0	0	0	113.9	R218 T219 R236	R218-G238 WeakPolarHBondContact CB-O 3.48Å; R218-G238 WeakPolarHBondContact CD-O 3.05Å; R218-G238 WeakPolarHBondContact CG-O 3.41Å; T219-G238 CarbonylContact O-C 3.5Å; T219-G238 WeakPolarHBondContact O-CA 3.49Å; R236-G238 PolarHBondContact O-N 2.91Å
239	H	63.1	Low	86	Confident	5 Å²	5	21.3 Å²	21.3	2%	0.023	11%	0.11	C	C	.	.	B	Isolated β-bridge	trans	-108.9	151.8	-166.6	50.6	-83.3	0	0	0	113.4	R184 T219 S221 E232 V233 A243	R184-H239 WeakPolarHBondContact CD-NE2 3.32Å; R184-H239 VanDerWaalsContact CZ-NE2 3.25Å; R184-H239 PolarHBondContact NE-NE2 3.2Å; R184-H239 VanDerWaalsContact NE-NE2 3.13Å; R184-H239 PolarHBondContact NH1-NE2 2.86Å; T219-H239 PolarHBondContact N-O 3.33Å; T219-H239 VanDerWaalsContact N-O 3.17Å; T219-H239 PolarHBondContact O-CE1 3.05Å; T219-H239 PolarHBondContact O-N 2.89Å; T219-H239 PolarHBondContact O-ND1 3.4Å; T219-H239 PolarHBondContact OG1-CD2 3.11Å; T219-H239 PolarHBondContact OG1-NE2 2.78Å; T219-H239 PolarHBondContact OG1-O 3.26Å; S221-H239 PolarHBondContact N-CE1 2.78Å; S221-H239 PolarHBondContact O-CE1 2.78Å; E232-H239 HydrophobicContact CG-CB 3.92Å; V233-H239 HydrophobicContact CG2-CB 3.9Å; H239-A243 HydrophobicContact CB-CB 4.11Å
240	G	80.8	Confident	86.4	Confident	18 Å²	18	21 Å²	21	19%	0.186	11%	0.108	C	C	.	.			trans	-115.8	-152.2	168.8	0	0	0	0	0	111.7	V182 A242 A243	V182-G240 WeakPolarHBondContact CG1-O 3.37Å; G240-A242 VanDerWaalsContact C-N 3.27Å; G240-A242 PolarHBondContact O-N 2.88Å; G240-A243 PolarHBondContact O-N 3.13Å
241	T	90.1	Very high	86.6	Confident	14 Å²	14	21 Å²	21	9%	0.086	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-33.6	-174	58.6	0	0	0	0	113.2	H177 V182 E213 A243 D244	H177-T241 HydrophobicContact CB-CG2 3.86Å; V182-T241 HydrophobicContact CG2-CG2 4.43Å; E213-T241 PolarHBondContact OE1-N 3.39Å; E213-T241 PolarHBondContact OE1-OG1 3.06Å; T241-A243 PolarHBondContact O-N 3.2Å; T241-D244 WeakPolarHBondContact O-CB 3.42Å; T241-D244 PolarHBondContact O-N 3.02Å
242	A	92.5	Very high	86.9	Confident	4 Å²	4	20.6 Å²	20.6	3%	0.033	11%	0.105	C	C	.	.	H	α-helix	trans	-52.2	-26	179.4	0	0	0	0	0	114.9	G240 D244 W245 W246 P301 R304 Y307	G240-A242 VanDerWaalsContact C-N 3.27Å; G240-A242 PolarHBondContact O-N 2.88Å; A242-D244 VanDerWaalsContact C-N 3.32Å; A242-W245 PolarHBondContact O-N 2.84Å; A242-W246 PolarHBondContact O-N 2.89Å; A242-P301 HydrophobicContact CB-CB 3.96Å; A242-R304 PolarHBondContact O-NH1 3.21Å; A242-Y307 HydrophobicContact CB-CD2 4.01Å
243	A	92.6	Very high	87.1	Confident	3 Å²	3	20 Å²	20	3%	0.025	10%	0.103	C	C	.	.	H	α-helix	trans	-67.6	-31.1	177.6	0	0	0	0	0	113	A230 V233 H239 G240 T241 W246 S247	A230-A243 HydrophobicContact CB-CB 4Å; V233-A243 HydrophobicContact CG2-CB 3.81Å; H239-A243 HydrophobicContact CB-CB 4.11Å; G240-A243 PolarHBondContact O-N 3.13Å; T241-A243 PolarHBondContact O-N 3.2Å; A243-W246 PolarHBondContact O-N 2.87Å; A243-S247 PolarHBondContact O-N 3Å; A243-S247 VanDerWaalsContact O-N 3.16Å; A243-S247 PolarHBondContact O-OG 3.48Å
244	D	94.9	Very high	87.5	Confident	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-69.1	-37.9	175.8	-67.1	-26	0	0	0	110.8	L173 H177 V182 Y183 R184 T241 A242 W246 S247 F248	L173-D244 HydrophobicContact CD1-CB 4.29Å; L173-D244 HydrophobicContact CD2-CB 4.04Å; H177-D244 IonicContact CD2-OD2 3.21Å; H177-D244 IonicContact CE1-OD2 2.61Å; H177-D244 IonicContact NE2-OD2 3.89Å; H177-D244 PolarHBondContact NE2-OD2 2.77Å; V182-D244 VanDerWaalsContact CG1-OD2 3.29Å; V182-D244 WeakPolarHBondContact CG1-OD2 3.41Å; Y183-D244 PolarHBondContact N-OD1 3.38Å; Y183-D244 PolarHBondContact N-OD2 3.41Å; R184-D244 WeakPolarHBondContact CA-OD1 3.48Å; R184-D244 PolarHBondContact N-OD1 3.35Å; T241-D244 WeakPolarHBondContact O-CB 3.42Å; T241-D244 PolarHBondContact O-N 3.02Å; A242-D244 VanDerWaalsContact C-N 3.32Å; D244-W246 VanDerWaalsContact C-N 3.3Å; D244-W246 PolarHBondContact O-N 3.22Å; D244-S247 CarbonylContact O-C 3.55Å; D244-S247 WeakPolarHBondContact O-CA 3.42Å; D244-S247 WeakPolarHBondContact O-CB 3.05Å; D244-S247 PolarHBondContact O-N 3.27Å; D244-F248 WeakPolarHBondContact O-CB 3.2Å; D244-F248 PolarHBondContact O-N 3.01Å
245	W	96.8	Very high	87.9	Confident	3 Å²	3	19 Å²	19	1%	0.011	10%	0.096	C	C	.	.	H	α-helix	trans	-66.5	-28.3	175.8	-61.1	119.7	0	0	0	113.5	A170 L173 H177 A242 F248 G249 L296 G306 F312 L315	A170-W245 HydrophobicContact CB-CH2 4.15Å; A170-W245 HydrophobicContact CB-CZ3 4Å; L173-W245 HydrophobicContact CB-CH2 4.07Å; L173-W245 HydrophobicContact CB-CZ2 4.37Å; L173-W245 HydrophobicContact CB-CZ3 4.49Å; L173-W245 HydrophobicContact CD1-CE3 4.23Å; L173-W245 HydrophobicContact CD1-CH2 4.42Å; L173-W245 HydrophobicContact CD1-CZ3 4.03Å; H177-W245 AromaticContact CE1-CE2 3.78Å; H177-W245 AromaticContact CE1-NE1 3.48Å; H177-W245 PolarHBondContact CE1-NE1 3.32Å; H177-W245 AromaticContact ND1-CE2 3.84Å; H177-W245 AromaticContact ND1-CZ2 3.87Å; H177-W245 AromaticContact ND1-NE1 3.48Å; H177-W245 PolarHBondContact ND1-NE1 3.29Å; A242-W245 PolarHBondContact O-N 2.84Å; W245-F248 HydrophobicContact CE3-CB 4.31Å; W245-F248 HydrophobicContact CE3-CD1 4.32Å; W245-F248 HydrophobicContact CE3-CD2 4.45Å; W245-F248 HydrophobicContact CE3-CG 4.14Å; W245-F248 HydrophobicContact CZ3-CD2 4.3Å; W245-F248 HydrophobicContact CZ3-CE2 4.36Å; W245-F248 HydrophobicContact CZ3-CG 4.41Å; W245-G249 PolarHBondContact O-N 3.32Å; W245-G249 VanDerWaalsContact O-N 3.14Å; W245-L296 HydrophobicContact CB-CD2 4.39Å; W245-G306 VanDerWaalsContact CD1-C 3.47Å; W245-G306 VanDerWaalsContact CD1-CA 3.47Å; W245-G306 PolarHBondContact NE1-O 3.04Å; W245-F312 AromaticContact CH2-CD2 3.85Å; W245-F312 HydrophobicContact CH2-CD2 3.85Å; W245-F312 HydrophobicContact CH2-CE2 4.46Å; W245-F312 HydrophobicContact CZ2-CD2 4.25Å; W245-L315 HydrophobicContact CE3-CD1 3.75Å; W245-L315 HydrophobicContact CH2-CD2 4.31Å; W245-L315 HydrophobicContact CZ3-CD1 3.81Å; W245-L315 HydrophobicContact CZ3-CD2 3.94Å; W245-L315 HydrophobicContact CZ3-CG 4.47Å
246	W	96.5	Very high	88.4	Confident	1 Å²	1	16.9 Å²	16.9	0%	0.004	8%	0.081	C	C	.	.	H	α-helix	trans	-67.4	-47.4	166.6	175.8	-80.6	0	0	0	111.1	M229 A230 P231 A242 A243 D244 F248 G249 V250 F262 I274 F297 R299	M229-W246 PolarHBondContact O-NE1 2.82Å; M229-W246 VanDerWaalsContact O-NE1 3.08Å; A230-W246 VanDerWaalsContact CA-CD1 3.46Å; A230-W246 HydrophobicContact CB-CB 3.66Å; A230-W246 HydrophobicContact CB-CD2 4.31Å; A230-W246 HydrophobicContact CB-CG 3.7Å; P231-W246 HydrophobicContact CG-CD2 4.45Å; P231-W246 HydrophobicContact CG-CE3 4.1Å; P231-W246 HydrophobicContact CG-CH2 3.55Å; P231-W246 HydrophobicContact CG-CZ2 3.94Å; P231-W246 HydrophobicContact CG-CZ3 3.64Å; A242-W246 PolarHBondContact O-N 2.89Å; A243-W246 PolarHBondContact O-N 2.87Å; D244-W246 VanDerWaalsContact C-N 3.3Å; D244-W246 PolarHBondContact O-N 3.22Å; W246-F248 PolarHBondContact O-N 3Å; W246-G249 PolarHBondContact O-N 2.57Å; W246-V250 WeakPolarHBondContact O-CG2 3.38Å; W246-V250 PolarHBondContact O-N 3.46Å; W246-F262 HydrophobicContact CH2-CD2 4.41Å; W246-F262 AromaticContact CH2-CE2 3.69Å; W246-F262 HydrophobicContact CH2-CE2 3.69Å; W246-F262 HydrophobicContact CH2-CZ 4.32Å; W246-F262 AromaticContact CZ2-CD2 3.79Å; W246-F262 HydrophobicContact CZ2-CD2 3.79Å; W246-F262 AromaticContact CZ2-CE2 3.47Å; W246-F262 HydrophobicContact CZ2-CE2 3.47Å; W246-F262 VanDerWaalsContact CZ2-CE2 3.47Å; W246-F262 HydrophobicContact CZ2-CZ 4.48Å; W246-I274 HydrophobicContact CZ2-CG2 3.97Å; W246-F297 HydrophobicContact CD2-CD1 4.01Å; W246-F297 HydrophobicContact CD2-CE1 4.29Å; W246-F297 AromaticContact CE3-CD1 3.89Å; W246-F297 HydrophobicContact CE3-CD1 3.89Å; W246-F297 AromaticContact CH2-CD1 3.85Å; W246-F297 HydrophobicContact CH2-CD1 3.85Å; W246-F297 AromaticContact CZ2-CD1 3.95Å; W246-F297 HydrophobicContact CZ2-CD1 3.95Å; W246-F297 HydrophobicContact CZ2-CE1 4.28Å; W246-F297 HydrophobicContact CZ3-CB 4.31Å; W246-F297 AromaticContact CZ3-CD1 3.82Å; W246-F297 HydrophobicContact CZ3-CD1 3.82Å; W246-R299 HydrophobicContact CZ3-CG 4.38Å
247	S	95.8	Very high	88.9	Confident	6 Å²	6	9 Å²	9	4%	0.042	5%	0.052	C	C	.	.	H	α-helix	trans	-61.1	-32.9	178.9	-50.1	0	0	0	0	111.7	Y228 A243 D244 V250 L251	Y228-S247 PolarHBondContact O-OG 2.86Å; Y228-S247 VanDerWaalsContact O-OG 3.1Å; A243-S247 PolarHBondContact O-N 3Å; A243-S247 VanDerWaalsContact O-N 3.16Å; A243-S247 PolarHBondContact O-OG 3.48Å; D244-S247 CarbonylContact O-C 3.55Å; D244-S247 WeakPolarHBondContact O-CA 3.42Å; D244-S247 WeakPolarHBondContact O-CB 3.05Å; D244-S247 PolarHBondContact O-N 3.27Å; S247-V250 WeakPolarHBondContact O-CB 3.36Å; S247-V250 PolarHBondContact O-N 3.3Å; S247-L251 WeakPolarHBondContact O-CB 3.28Å; S247-L251 PolarHBondContact O-N 3.46Å
248	F	98	Very high	89.9	Confident	0 Å²	0	3.3 Å²	3.3	0%	0	3%	0.026	C	C	.	.	H	α-helix	trans	-64.9	-44	172.3	-177.1	-90	0	0	0	112.1	L166 I169 A170 L173 L186 D244 W245 W246 V250 L251 M252 L296 L315 F321	L166-F248 HydrophobicContact CB-CE1 4.37Å; L166-F248 HydrophobicContact CB-CE2 4.07Å; L166-F248 HydrophobicContact CB-CZ 3.64Å; L166-F248 HydrophobicContact CD1-CE1 4.42Å; L166-F248 HydrophobicContact CD1-CZ 4.45Å; L166-F248 HydrophobicContact CD2-CD2 4.11Å; L166-F248 HydrophobicContact CD2-CE1 4.21Å; L166-F248 HydrophobicContact CD2-CE2 3.78Å; L166-F248 HydrophobicContact CD2-CG 4.47Å; L166-F248 HydrophobicContact CD2-CZ 3.86Å; L166-F248 HydrophobicContact CG-CE2 4.48Å; L166-F248 HydrophobicContact CG-CZ 4.17Å; L166-F248 WeakPolarHBondContact O-CE2 3.43Å; L166-F248 WeakPolarHBondContact O-CZ 3.27Å; I169-F248 HydrophobicContact CB-CE2 4.26Å; I169-F248 HydrophobicContact CG2-CD2 3.9Å; I169-F248 HydrophobicContact CG2-CE2 4.04Å; A170-F248 HydrophobicContact CB-CE2 3.81Å; A170-F248 HydrophobicContact CB-CZ 3.9Å; L173-F248 HydrophobicContact CD1-CB 4.36Å; L173-F248 HydrophobicContact CD1-CD2 3.92Å; L186-F248 HydrophobicContact CD2-CB 4Å; L186-F248 HydrophobicContact CD2-CD2 4.29Å; D244-F248 WeakPolarHBondContact O-CB 3.2Å; D244-F248 PolarHBondContact O-N 3.01Å; W245-F248 HydrophobicContact CE3-CB 4.31Å; W245-F248 HydrophobicContact CE3-CD1 4.32Å; W245-F248 HydrophobicContact CE3-CD2 4.45Å; W245-F248 HydrophobicContact CE3-CG 4.14Å; W245-F248 HydrophobicContact CZ3-CD2 4.3Å; W245-F248 HydrophobicContact CZ3-CE2 4.36Å; W245-F248 HydrophobicContact CZ3-CG 4.41Å; W246-F248 PolarHBondContact O-N 3Å; F248-V250 VanDerWaalsContact C-N 3.33Å; F248-V250 PolarHBondContact O-N 3.39Å; F248-L251 PolarHBondContact O-N 3.28Å; F248-M252 WeakPolarHBondContact O-CB 3.45Å; F248-M252 PolarHBondContact O-N 2.99Å; F248-L296 HydrophobicContact CD1-CD1 3.83Å; F248-L296 HydrophobicContact CD1-CD2 4.21Å; F248-L296 HydrophobicContact CE1-CD1 4.22Å; F248-L315 HydrophobicContact CE1-CD1 4.18Å; F248-L315 HydrophobicContact CZ-CD2 4.5Å; F248-F321 HydrophobicContact CE1-CZ 4.37Å; F248-F321 HydrophobicContact CZ-CZ 4.15Å
249	G	98	Very high	91	Very high	0 Å²	0	3.1 Å²	3.1	0%	0	2%	0.022	C	C	.	.	H	α-helix	trans	-63.8	-36.9	171	0	0	0	0	0	113	W245 W246 M252 Y253 F297	W245-G249 PolarHBondContact O-N 3.32Å; W245-G249 VanDerWaalsContact O-N 3.14Å; W246-G249 PolarHBondContact O-N 2.57Å; G249-M252 PolarHBondContact O-N 3.25Å; G249-Y253 WeakPolarHBondContact O-CB 3.48Å; G249-Y253 PolarHBondContact O-N 3.06Å; G249-F297 VanDerWaalsContact O-CZ 3.26Å; G249-F297 WeakPolarHBondContact O-CZ 3.45Å
250	V	97.3	Very high	92.2	Very high	1 Å²	1	3 Å²	3	1%	0.006	2%	0.022	C	C	.	.	H	α-helix	trans	-62.9	-45.9	173.8	175.8	0	0	0	0	110.8	Y228 W246 S247 F248 Y253 E254 L260 P261 F297	Y228-V250 HydrophobicContact CD1-CB 3.89Å; Y228-V250 HydrophobicContact CD1-CG1 3.3Å; Y228-V250 HydrophobicContact CE1-CG1 3.7Å; Y228-V250 HydrophobicContact CG-CG1 3.82Å; W246-V250 WeakPolarHBondContact O-CG2 3.38Å; W246-V250 PolarHBondContact O-N 3.46Å; S247-V250 WeakPolarHBondContact O-CB 3.36Å; S247-V250 PolarHBondContact O-N 3.3Å; F248-V250 VanDerWaalsContact C-N 3.33Å; F248-V250 PolarHBondContact O-N 3.39Å; V250-Y253 PolarHBondContact O-N 2.97Å; V250-E254 PolarHBondContact O-N 3.4Å; V250-E254 VanDerWaalsContact O-N 3.16Å; V250-L260 HydrophobicContact CG1-CB 4.44Å; V250-L260 HydrophobicContact CG1-CD2 3.15Å; V250-L260 HydrophobicContact CG1-CG 4.38Å; V250-P261 HydrophobicContact CG2-CG 4.33Å; V250-F297 HydrophobicContact CG2-CE1 3.65Å; V250-F297 HydrophobicContact CG2-CZ 4.03Å
251	L	97	Very high	92.7	Very high	0 Å²	0	2.6 Å²	2.6	0%	0	2%	0.016	C	C	.	.	H	α-helix	trans	-61.7	-48.3	174.6	178.1	63.4	0	0	0	111.9	L166 I169 L186 P188 V191 S247 F248 Y253 E254 L255	L166-L251 HydrophobicContact CD2-CD2 4.32Å; L166-L251 HydrophobicContact CD2-CG 4.45Å; I169-L251 HydrophobicContact CD1-CD2 3.6Å; L186-L251 HydrophobicContact CD1-CD2 4.09Å; L186-L251 HydrophobicContact CD2-CD2 4.13Å; L186-L251 HydrophobicContact CG-CD2 4.02Å; P188-L251 HydrophobicContact CB-CD1 4.34Å; P188-L251 HydrophobicContact CG-CD1 3.59Å; V191-L251 HydrophobicContact CG2-CD2 4.38Å; S247-L251 WeakPolarHBondContact O-CB 3.28Å; S247-L251 PolarHBondContact O-N 3.46Å; F248-L251 PolarHBondContact O-N 3.28Å; L251-Y253 VanDerWaalsContact C-N 3.32Å; L251-Y253 PolarHBondContact O-N 2.81Å; L251-E254 PolarHBondContact O-N 3.01Å; L251-L255 HydrophobicContact CD1-CD1 4.13Å; L251-L255 HydrophobicContact CD1-CD2 4.11Å; L251-L255 HydrophobicContact CD1-CG 3.98Å; L251-L255 HydrophobicContact CG-CD1 4.12Å; L251-L255 HydrophobicContact CG-CG 4.3Å; L251-L255 WeakPolarHBondContact O-CG 3.44Å; L251-L255 PolarHBondContact O-N 2.88Å
252	M	97.8	Very high	92.8	Very high	0 Å²	0	2.2 Å²	2.2	0%	0	1%	0.013	C	C	.	.	H	α-helix	trans	-52.5	-50.3	176.2	177.4	178.9	-178.3	0	0	111.6	V162 L166 F248 G249 E254 L255 L256 A289 L292 L293 L296 F320	V162-M252 HydrophobicContact CG1-CG 4.33Å; L166-M252 HydrophobicContact CD1-CB 3.52Å; L166-M252 HydrophobicContact CD1-CG 3.51Å; L166-M252 HydrophobicContact CD1-SD 4.02Å; L166-M252 HydrophobicContact CD2-CB 4.32Å; F248-M252 WeakPolarHBondContact O-CB 3.45Å; F248-M252 PolarHBondContact O-N 2.99Å; G249-M252 PolarHBondContact O-N 3.25Å; M252-E254 PolarHBondContact O-N 2.79Å; M252-L255 PolarHBondContact O-N 3.35Å; M252-L256 HydrophobicContact CE-CD1 3.67Å; M252-L256 HydrophobicContact CG-CD1 3.73Å; M252-L256 WeakPolarHBondContact O-CB 3.22Å; M252-L256 VanDerWaalsContact O-CG 3.25Å; M252-L256 WeakPolarHBondContact O-CG 3.26Å; M252-L256 PolarHBondContact O-N 3.09Å; M252-L256 VanDerWaalsContact O-N 3.1Å; M252-A289 HydrophobicContact CE-CB 4.04Å; M252-L292 HydrophobicContact CE-CB 4.09Å; M252-L292 HydrophobicContact CE-CD2 3.85Å; M252-L292 HydrophobicContact CE-CG 4.18Å; M252-L292 HydrophobicContact SD-CB 4.24Å; M252-L292 HydrophobicContact SD-CD2 3.62Å; M252-L292 HydrophobicContact SD-CG 3.78Å; M252-L293 HydrophobicContact CB-CD2 4.12Å; M252-L293 HydrophobicContact CE-CD1 4.47Å; M252-L293 HydrophobicContact CE-CD2 4.36Å; M252-L293 HydrophobicContact CE-CG 3.98Å; M252-L293 HydrophobicContact CG-CD2 3.79Å; M252-L293 HydrophobicContact CG-CG 4.41Å; M252-L293 HydrophobicContact SD-CD2 3.66Å; M252-L293 HydrophobicContact SD-CG 3.85Å; M252-L296 HydrophobicContact SD-CD1 4.32Å; M252-F320 HydrophobicContact CE-CD1 4.26Å; M252-F320 HydrophobicContact CE-CD2 4.3Å; M252-F320 HydrophobicContact CE-CE1 3.99Å; M252-F320 HydrophobicContact CE-CE2 4.06Å; M252-F320 HydrophobicContact CE-CG 4.4Å; M252-F320 HydrophobicContact CE-CZ 3.89Å
253	Y	96.1	Very high	92.4	Very high	3 Å²	3	2.3 Å²	2.3	1%	0.012	1%	0.013	C	C	.	.	H	α-helix	trans	-60.6	-34.9	179.6	-168.4	-80.6	0	0	0	111.5	G249 V250 L251 T257 M259 P261 L279 S280 P282 L293 F297	G249-Y253 WeakPolarHBondContact O-CB 3.48Å; G249-Y253 PolarHBondContact O-N 3.06Å; V250-Y253 PolarHBondContact O-N 2.97Å; L251-Y253 VanDerWaalsContact C-N 3.32Å; L251-Y253 PolarHBondContact O-N 2.81Å; Y253-T257 HydrophobicContact CD1-CG2 4.3Å; Y253-T257 HydrophobicContact CE1-CG2 4.11Å; Y253-T257 WeakPolarHBondContact CE1-OG1 2.97Å; Y253-T257 WeakPolarHBondContact O-CB 3.37Å; Y253-T257 WeakPolarHBondContact O-CG2 3.49Å; Y253-T257 PolarHBondContact O-N 3.27Å; Y253-T257 PolarHBondContact O-OG1 3.04Å; Y253-M259 CarbonylContact C-O 3.47Å; Y253-M259 VanDerWaalsContact CD1-O 3.31Å; Y253-M259 WeakPolarHBondContact CD1-O 3.35Å; Y253-M259 HydrophobicContact CE1-CB 4.11Å; Y253-M259 HydrophobicContact CE1-CE 4.07Å; Y253-P261 HydrophobicContact CD1-CB 4.03Å; Y253-P261 HydrophobicContact CD1-CG 4.37Å; Y253-P261 HydrophobicContact CD2-CB 4.18Å; Y253-P261 HydrophobicContact CE1-CB 4.14Å; Y253-P261 HydrophobicContact CE2-CB 4.27Å; Y253-P261 HydrophobicContact CG-CB 4.07Å; Y253-P261 HydrophobicContact CG-CG 4.33Å; Y253-L279 HydrophobicContact CD2-CD1 4.2Å; Y253-L279 HydrophobicContact CE2-CD1 4Å; Y253-S280 WeakPolarHBondContact CE2-O 3.4Å; Y253-S280 PolarHBondContact OH-O 3.01Å; Y253-P282 HydrophobicContact CE2-CG 4.38Å; Y253-L293 HydrophobicContact CD2-CD1 4.21Å; Y253-L293 HydrophobicContact CD2-CD2 4.25Å; Y253-F297 HydrophobicContact CD2-CE2 4.46Å
254	E	93.6	Very high	91.6	Very high	0 Å²	0	3.4 Å²	3.4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-73.3	-45.2	177	-161	-168.8	-179.2	0	0	114.7	L151 P188 Y228 V250 L251 M252 L256 T257 G258 M259 L260 L785	L151-E254 HydrophobicContact CD2-CG 3.83Å; P188-E254 WeakPolarHBondContact CD-OE2 3.45Å; P188-E254 WeakPolarHBondContact CG-OE2 3.41Å; Y228-E254 PolarHBondContact OH-OE2 3.36Å; V250-E254 PolarHBondContact O-N 3.4Å; V250-E254 VanDerWaalsContact O-N 3.16Å; L251-E254 PolarHBondContact O-N 3.01Å; M252-E254 PolarHBondContact O-N 2.79Å; E254-L256 PolarHBondContact O-N 3.09Å; E254-T257 PolarHBondContact O-N 3.36Å; E254-G258 CarbonylContact O-C 3.59Å; E254-G258 WeakPolarHBondContact O-CA 3.48Å; E254-G258 PolarHBondContact O-N 2.83Å; E254-M259 WeakPolarHBondContact CA-O 3.25Å; E254-M259 WeakPolarHBondContact CB-O 3.42Å; E254-M259 PolarHBondContact N-O 3.33Å; E254-L260 HydrophobicContact CB-CD2 3.87Å; E254-L260 HydrophobicContact CB-CG 3.85Å; E254-L260 HydrophobicContact CG-CD1 3.96Å; E254-L260 HydrophobicContact CG-CD2 4.16Å; E254-L260 HydrophobicContact CG-CG 3.78Å; E254-L785 WeakPolarHBondContact OE1-CD1 3.24Å
255	L	93	Very high	90.4	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-63.5	-35.3	178	-56.8	-179.1	0	0	0	110.9	L147 L151 F157 V162 L251 M252	L147-L255 HydrophobicContact CD2-CD1 3.86Å; L147-L255 HydrophobicContact CD2-CD2 3.87Å; L147-L255 HydrophobicContact CG-CD2 4.27Å; L151-L255 HydrophobicContact CD1-CD2 4.43Å; L151-L255 HydrophobicContact CD2-CD2 4.3Å; F157-L255 HydrophobicContact CD2-CB 4Å; F157-L255 HydrophobicContact CD2-CD1 4.4Å; F157-L255 HydrophobicContact CD2-CD2 4Å; F157-L255 HydrophobicContact CD2-CG 4.35Å; F157-L255 HydrophobicContact CE2-CD2 3.75Å; F157-L255 PolarHBondContact N-O 2.73Å; V162-L255 HydrophobicContact CB-CB 4.49Å; V162-L255 HydrophobicContact CG1-CB 4.29Å; V162-L255 HydrophobicContact CG2-CB 3.45Å; V162-L255 VanDerWaalsContact CG2-CB 3.45Å; V162-L255 HydrophobicContact CG2-CD1 4.49Å; L251-L255 HydrophobicContact CD1-CD1 4.13Å; L251-L255 HydrophobicContact CD1-CD2 4.11Å; L251-L255 HydrophobicContact CD1-CG 3.98Å; L251-L255 HydrophobicContact CG-CD1 4.12Å; L251-L255 HydrophobicContact CG-CG 4.3Å; L251-L255 WeakPolarHBondContact O-CG 3.44Å; L251-L255 PolarHBondContact O-N 2.88Å; M252-L255 PolarHBondContact O-N 3.35Å
256	L	90.5	Very high	89.4	Confident	3 Å²	3	10.5 Å²	10.5	2%	0.016	6%	0.058	C	C	.	.	H	α-helix	trans	-77.3	-33.1	179.5	-70.9	175.3	0	0	0	115.1	E159 V162 M252 E254 L285 A289	E159-L256 HydrophobicContact CB-CD2 4.4Å; E159-L256 HydrophobicContact CG-CD2 3.79Å; V162-L256 HydrophobicContact CB-CD2 3.87Å; V162-L256 HydrophobicContact CB-CG 4.29Å; V162-L256 HydrophobicContact CG1-CD2 4.11Å; V162-L256 HydrophobicContact CG1-CG 4.02Å; V162-L256 HydrophobicContact CG2-CD2 3.69Å; V162-L256 HydrophobicContact CG2-CG 4.04Å; M252-L256 HydrophobicContact CE-CD1 3.67Å; M252-L256 HydrophobicContact CG-CD1 3.73Å; M252-L256 WeakPolarHBondContact O-CB 3.22Å; M252-L256 VanDerWaalsContact O-CG 3.25Å; M252-L256 WeakPolarHBondContact O-CG 3.26Å; M252-L256 PolarHBondContact O-N 3.09Å; M252-L256 VanDerWaalsContact O-N 3.1Å; E254-L256 PolarHBondContact O-N 3.09Å; L256-L285 HydrophobicContact CB-CD1 4.45Å; L256-L285 HydrophobicContact CB-CD2 4.01Å; L256-L285 HydrophobicContact CD1-CD1 3.93Å; L256-L285 HydrophobicContact CD1-CD2 4.08Å; L256-L285 HydrophobicContact CD2-CD2 4.17Å; L256-L285 HydrophobicContact CG-CD2 4.32Å; L256-A289 HydrophobicContact CD1-CB 4.47Å
257	T	82.8	Confident	88.4	Confident	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.079	C	C	.	.	H	α-helix	trans	-116.1	-11	-172.5	71.2	0	0	0	0	113.9	Y253 E254 M259 P282 F284 A792	Y253-T257 HydrophobicContact CD1-CG2 4.3Å; Y253-T257 HydrophobicContact CE1-CG2 4.11Å; Y253-T257 WeakPolarHBondContact CE1-OG1 2.97Å; Y253-T257 WeakPolarHBondContact O-CB 3.37Å; Y253-T257 WeakPolarHBondContact O-CG2 3.49Å; Y253-T257 PolarHBondContact O-N 3.27Å; Y253-T257 PolarHBondContact O-OG1 3.04Å; E254-T257 PolarHBondContact O-N 3.36Å; T257-M259 PolarHBondContact O-N 3.4Å; T257-M259 WeakPolarHBondContact OG1-CB 3.45Å; T257-M259 PolarHBondContact OG1-N 2.84Å; T257-M259 PolarHBondContact OG1-O 3.1Å; T257-P282 HydrophobicContact CG2-CG 3.59Å; T257-F284 HydrophobicContact CG2-CZ 4.02Å; T257-A792 WeakPolarHBondContact O-CB 3.06Å
258	G	80.3	Confident	87.8	Confident	1 Å²	1	22.9 Å²	22.9	1%	0.01	11%	0.108	C	C	.	.	S	Bend	trans	74.3	-15.5	-162.7	0	0	0	0	0	113.9	Y155 E254 R788	Y155-G258 WeakPolarHBondContact O-CA 3.34Å; E254-G258 CarbonylContact O-C 3.59Å; E254-G258 WeakPolarHBondContact O-CA 3.48Å; E254-G258 PolarHBondContact O-N 2.83Å; G258-R788 WeakPolarHBondContact O-CB 3.44Å; G258-R788 WeakPolarHBondContact O-CD 3.27Å
259	M	82.8	Confident	87.3	Confident	3 Å²	3	26.6 Å²	26.6	2%	0.015	13%	0.128	C	C	.	.	S	Bend	trans	-104.8	172.2	-173.7	-53.8	-149.7	-69.7	0	0	113.7	Y253 E254 T257 R788 R789 A792 K793	Y253-M259 CarbonylContact C-O 3.47Å; Y253-M259 VanDerWaalsContact CD1-O 3.31Å; Y253-M259 WeakPolarHBondContact CD1-O 3.35Å; Y253-M259 HydrophobicContact CE1-CB 4.11Å; Y253-M259 HydrophobicContact CE1-CE 4.07Å; E254-M259 WeakPolarHBondContact CA-O 3.25Å; E254-M259 WeakPolarHBondContact CB-O 3.42Å; E254-M259 PolarHBondContact N-O 3.33Å; T257-M259 PolarHBondContact O-N 3.4Å; T257-M259 WeakPolarHBondContact OG1-CB 3.45Å; T257-M259 PolarHBondContact OG1-N 2.84Å; T257-M259 PolarHBondContact OG1-O 3.1Å; M259-R788 WeakPolarHBondContact CG-O 3.39Å; M259-R789 VanDerWaalsContact SD-C 3.6Å; M259-A792 HydrophobicContact CE-CB 3.88Å; M259-A792 HydrophobicContact CG-CB 3.16Å; M259-A792 WeakPolarHBondContact SD-CA 3.48Å; M259-A792 HydrophobicContact SD-CB 3.53Å; M259-A792 VanDerWaalsContact SD-CB 3.53Å; M259-A792 PolarHBondContact SD-N 3.05Å; M259-K793 HydrophobicContact CE-CB 4.5Å; M259-K793 HydrophobicContact CE-CG 3.96Å; M259-K793 HydrophobicContact SD-CB 4.31Å; M259-K793 HydrophobicContact SD-CG 4.01Å; M259-K793 PolarHBondContact SD-N 3.17Å
260	L	88.7	Confident	86.7	Confident	2 Å²	2	26.6 Å²	26.6	1%	0.01	13%	0.128	C	C	.	.			trans	-114	150.8	163	-60.3	121	0	0	0	111.4	Y228 V250 E254 F262 L785 R789	Y228-L260 HydrophobicContact CD1-CD2 4.23Å; Y228-L260 HydrophobicContact CE1-CD2 3.54Å; Y228-L260 HydrophobicContact CE2-CD2 4.12Å; Y228-L260 VanDerWaalsContact CZ-CD2 3.5Å; V250-L260 HydrophobicContact CG1-CB 4.44Å; V250-L260 HydrophobicContact CG1-CD2 3.15Å; V250-L260 HydrophobicContact CG1-CG 4.38Å; E254-L260 HydrophobicContact CB-CD2 3.87Å; E254-L260 HydrophobicContact CB-CG 3.85Å; E254-L260 HydrophobicContact CG-CD1 3.96Å; E254-L260 HydrophobicContact CG-CD2 4.16Å; E254-L260 HydrophobicContact CG-CG 3.78Å; L260-F262 VanDerWaalsContact C-N 3.33Å; L260-F262 PolarHBondContact O-N 3Å; L260-L785 HydrophobicContact CD1-CD1 3.34Å; L260-L785 HydrophobicContact CD1-CD2 4.06Å; L260-L785 HydrophobicContact CD1-CG 3.39Å; L260-R789 HydrophobicContact CB-CG 3.77Å; L260-R789 HydrophobicContact CD1-CG 3.88Å; L260-R789 HydrophobicContact CG-CG 4.34Å; L260-R789 VanDerWaalsContact N-CG 3.35Å
261	P	91.2	Very high	86.3	Confident	11 Å²	11	28.5 Å²	28.5	7%	0.071	14%	0.138	C	C	.	.	S	Bend	trans	-69.3	-27.1	-164.7	27.6	-38.4	0	0	0	113.8	V250 Y253 L279 F297	V250-P261 HydrophobicContact CG2-CG 4.33Å; Y253-P261 HydrophobicContact CD1-CB 4.03Å; Y253-P261 HydrophobicContact CD1-CG 4.37Å; Y253-P261 HydrophobicContact CD2-CB 4.18Å; Y253-P261 HydrophobicContact CE1-CB 4.14Å; Y253-P261 HydrophobicContact CE2-CB 4.27Å; Y253-P261 HydrophobicContact CG-CB 4.07Å; Y253-P261 HydrophobicContact CG-CG 4.33Å; P261-L279 HydrophobicContact CB-CD1 3.57Å; P261-F297 HydrophobicContact CB-CE2 4.5Å; P261-F297 HydrophobicContact CB-CZ 4.26Å; P261-F297 HydrophobicContact CG-CE1 3.93Å; P261-F297 HydrophobicContact CG-CE2 4.25Å; P261-F297 HydrophobicContact CG-CZ 3.56Å
262	F	92.2	Very high	86.1	Confident	5 Å²	5	32.3 Å²	32.3	2%	0.022	16%	0.155	C	C	.	.	S	Bend	trans	-129	107.4	-175.2	-54	-62.6	0	0	0	110.3	W246 L260 M273 I274 A277 L279 F297 R789	W246-F262 HydrophobicContact CH2-CD2 4.41Å; W246-F262 AromaticContact CH2-CE2 3.69Å; W246-F262 HydrophobicContact CH2-CE2 3.69Å; W246-F262 HydrophobicContact CH2-CZ 4.32Å; W246-F262 AromaticContact CZ2-CD2 3.79Å; W246-F262 HydrophobicContact CZ2-CD2 3.79Å; W246-F262 AromaticContact CZ2-CE2 3.47Å; W246-F262 HydrophobicContact CZ2-CE2 3.47Å; W246-F262 VanDerWaalsContact CZ2-CE2 3.47Å; W246-F262 HydrophobicContact CZ2-CZ 4.48Å; L260-F262 VanDerWaalsContact C-N 3.33Å; L260-F262 PolarHBondContact O-N 3Å; F262-M273 HydrophobicContact CB-CB 4.07Å; F262-M273 HydrophobicContact CD1-CB 4.42Å; F262-I274 HydrophobicContact CB-CG1 3.78Å; F262-I274 HydrophobicContact CD2-CG1 4.3Å; F262-I274 HydrophobicContact CG-CG1 4.28Å; F262-A277 HydrophobicContact CD1-CB 4.11Å; F262-A277 HydrophobicContact CE1-CB 4.25Å; F262-L279 HydrophobicContact CZ-CB 4.4Å; F262-L279 HydrophobicContact CZ-CD1 4.25Å; F262-F297 AromaticContact CE2-CD1 3.9Å; F262-F297 HydrophobicContact CE2-CD1 3.9Å; F262-F297 HydrophobicContact CE2-CE1 4.06Å; F262-R789 PolarHBondContact O-NH1 3.05Å
263	H	84	Confident	85.8	Confident	6 Å²	6	34.6 Å²	34.6	3%	0.028	17%	0.166	C	C	.	.			trans	-156.7	144.2	-177.3	-170.6	58.4	0	0	0	115.1	A786 R789 K793	H263-A786 VanDerWaalsContact CE1-CB 3.45Å; H263-A786 WeakPolarHBondContact CE1-CB 2.86Å; H263-A786 WeakPolarHBondContact NE2-CB 3.24Å; H263-R789 HydrophobicContact CB-CB 3.71Å; H263-R789 HydrophobicContact CB-CG 3.82Å; H263-R789 VanDerWaalsContact CD2-CB 3.45Å; H263-R789 WeakPolarHBondContact CD2-CB 3.5Å; H263-R789 VanDerWaalsContact CG-NH1 3.3Å; H263-R789 WeakPolarHBondContact ND1-CD 3.23Å; H263-R789 PolarHBondContact ND1-NH1 2.91Å; H263-K793 PolarHBondContact O-NZ 3.11Å
264	S	76.8	Confident	85.6	Confident	26 Å²	26	34.5 Å²	34.5	18%	0.182	17%	0.166	C	C	.	.			trans	-153.2	166.2	168.1	56.1	0	0	0	0	111.3	S266 D269 T270	S264-S266 VanDerWaalsContact C-N 3.28Å; S264-S266 PolarHBondContact O-N 3.06Å; S264-S266 PolarHBondContact OG-O 3.5Å; S264-S266 VanDerWaalsContact OG-O 3.06Å; S264-D269 WeakPolarHBondContact OG-CB 3.44Å; S264-T270 PolarHBondContact N-OG1 3.43Å; S264-T270 PolarHBondContact O-OG1 3.33Å; S264-T270 VanDerWaalsContact O-OG1 3.1Å; S264-T270 PolarHBondContact OG-N 3.34Å; S264-T270 PolarHBondContact OG-OG1 3.31Å
265	E	69.7	Low	85.6	Confident	112 Å²	112	37 Å²	37	52%	0.523	18%	0.179	S	C	.	.	S	Bend	trans	-48.5	-42.6	174.7	-46.6	-160.8	144.6	0	0	113.8	V780 E781	E265-V780 WeakPolarHBondContact O-CB 3.45Å; E265-E781 VanDerWaalsContact CA-OE1 3.24Å; E265-E781 WeakPolarHBondContact CA-OE1 3.37Å; E265-E781 VanDerWaalsContact CB-CD 3.41Å; E265-E781 HydrophobicContact CB-CG 3.72Å; E265-E781 VanDerWaalsContact CB-OE1 3.3Å; E265-E781 WeakPolarHBondContact CB-OE1 3.37Å; E265-E781 HydrophobicContact CG-CG 3.44Å; E265-E781 VanDerWaalsContact CG-CG 3.44Å
266	S	75.6	Confident	85.6	Confident	41 Å²	41	44.2 Å²	44.2	29%	0.287	21%	0.21	S	C	.	.	S	Bend	trans	-95	140.2	179.5	113.3	0	0	0	0	112	S264 K268 D269 T270	S264-S266 VanDerWaalsContact C-N 3.28Å; S264-S266 PolarHBondContact O-N 3.06Å; S264-S266 PolarHBondContact OG-O 3.5Å; S264-S266 VanDerWaalsContact OG-O 3.06Å; S266-K268 PolarHBondContact O-N 3.1Å; S266-K268 PolarHBondContact OG-N 3.29Å; S266-D269 VanDerWaalsContact CB-OD2 3.27Å; S266-D269 WeakPolarHBondContact CB-OD2 3.19Å; S266-D269 PolarHBondContact O-N 2.88Å; S266-D269 PolarHBondContact OG-N 3.14Å; S266-D269 PolarHBondContact OG-OD2 2.92Å; S266-T270 PolarHBondContact O-N 2.85Å; S266-T270 PolarHBondContact O-OG1 2.75Å
267	R	75	Confident	85.6	Confident	118 Å²	118	45.2 Å²	45.2	45%	0.445	22%	0.22	S	C	.	.	H	α-helix	trans	-56.2	-37.7	171.2	-175.8	-176	-66.7	150.2	2.2	111.8	V226 T270 M271	V226-R267 HydrophobicContact CB-CG 4.43Å; V226-R267 HydrophobicContact CG1-CG 4.2Å; V226-R267 HydrophobicContact CG2-CG 4.01Å; R267-T270 PolarHBondContact O-N 3.2Å; R267-M271 HydrophobicContact CG-CE 3.93Å; R267-M271 HydrophobicContact CG-SD 4.37Å; R267-M271 VanDerWaalsContact O-CG 3.23Å; R267-M271 WeakPolarHBondContact O-CG 3.46Å; R267-M271 PolarHBondContact O-N 3.47Å
268	K	82.9	Confident	86	Confident	149 Å²	149	54.7 Å²	54.7	65%	0.648	26%	0.261	S	S	*	.	H	α-helix	trans	-66.3	-40	-179	-178.3	-172.5	175.2	-170.2	0	111.3	S266 M271 Q272	S266-K268 PolarHBondContact O-N 3.1Å; S266-K268 PolarHBondContact OG-N 3.29Å; K268-M271 WeakPolarHBondContact O-CB 3.5Å; K268-M271 PolarHBondContact O-N 2.83Å; K268-Q272 PolarHBondContact O-N 2.79Å
269	D	87.5	Confident	86.5	Confident	78 Å²	78	56.8 Å²	56.8	42%	0.417	27%	0.271	S	S	.	.	H	α-helix	trans	-78	-33.7	-179.5	-56.8	-45.1	0	0	0	110.5	S264 S266 M271 Q272 M273	S264-D269 WeakPolarHBondContact OG-CB 3.44Å; S266-D269 VanDerWaalsContact CB-OD2 3.27Å; S266-D269 WeakPolarHBondContact CB-OD2 3.19Å; S266-D269 PolarHBondContact O-N 2.88Å; S266-D269 PolarHBondContact OG-N 3.14Å; S266-D269 PolarHBondContact OG-OD2 2.92Å; D269-M271 VanDerWaalsContact C-N 3.31Å; D269-M271 PolarHBondContact O-N 3.01Å; D269-Q272 CarbonylContact O-C 3.1Å; D269-Q272 PolarHBondContact O-N 3.04Å; D269-Q272 VanDerWaalsContact O-N 3.09Å; D269-M273 WeakPolarHBondContact O-CG 3.21Å; D269-M273 PolarHBondContact O-N 3.16Å
270	T	86.8	Confident	86.8	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	29%	0.292	C	S	.	.	H	α-helix	trans	-60.2	-42.5	170.4	-69.4	0	0	0	0	110.4	V226 S264 S266 R267 M273 I274	V226-T270 HydrophobicContact CG1-CG2 4.42Å; S264-T270 PolarHBondContact N-OG1 3.43Å; S264-T270 PolarHBondContact O-OG1 3.33Å; S264-T270 VanDerWaalsContact O-OG1 3.1Å; S264-T270 PolarHBondContact OG-N 3.34Å; S264-T270 PolarHBondContact OG-OG1 3.31Å; S266-T270 PolarHBondContact O-N 2.85Å; S266-T270 PolarHBondContact O-OG1 2.75Å; R267-T270 PolarHBondContact O-N 3.2Å; T270-M273 PolarHBondContact O-N 3.19Å; T270-I274 HydrophobicContact CG2-CD1 4.14Å; T270-I274 WeakPolarHBondContact O-CG1 3.41Å; T270-I274 PolarHBondContact O-N 3.1Å
271	M	88.9	Confident	86.9	Confident	41 Å²	41	61.1 Å²	61.1	20%	0.202	30%	0.299	C	S	.	.	H	α-helix	trans	-60.2	-44.9	171.6	-69.3	163.6	166.8	0	0	112.5	F222 V226 V234 R267 K268 D269 M273 I274 L275	F222-M271 HydrophobicContact CE1-CE 4.29Å; F222-M271 HydrophobicContact CE2-CE 3.78Å; F222-M271 HydrophobicContact CZ-CE 3.31Å; V226-M271 HydrophobicContact CG1-CE 3.98Å; V226-M271 HydrophobicContact CG1-CG 3.71Å; V226-M271 HydrophobicContact CG2-CE 4.27Å; V234-M271 HydrophobicContact CG1-CB 3.74Å; V234-M271 HydrophobicContact CG1-CG 3.87Å; R267-M271 HydrophobicContact CG-CE 3.93Å; R267-M271 HydrophobicContact CG-SD 4.37Å; R267-M271 VanDerWaalsContact O-CG 3.23Å; R267-M271 WeakPolarHBondContact O-CG 3.46Å; R267-M271 PolarHBondContact O-N 3.47Å; K268-M271 WeakPolarHBondContact O-CB 3.5Å; K268-M271 PolarHBondContact O-N 2.83Å; D269-M271 VanDerWaalsContact C-N 3.31Å; D269-M271 PolarHBondContact O-N 3.01Å; M271-M273 VanDerWaalsContact C-N 3.32Å; M271-M273 PolarHBondContact O-N 2.65Å; M271-I274 PolarHBondContact O-N 3.32Å; M271-L275 VanDerWaalsContact O-CG 3.28Å; M271-L275 WeakPolarHBondContact O-CG 3.35Å; M271-L275 PolarHBondContact O-N 3.1Å
272	Q	91.7	Very high	86.5	Confident	79 Å²	79	60.6 Å²	60.6	37%	0.369	30%	0.295	S	S	.	.	H	α-helix	trans	-64.4	-36.2	176.3	-70.6	-64.9	-36.7	0	0	112.1	K268 D269 L275 K276	K268-Q272 PolarHBondContact O-N 2.79Å; D269-Q272 CarbonylContact O-C 3.1Å; D269-Q272 PolarHBondContact O-N 3.04Å; D269-Q272 VanDerWaalsContact O-N 3.09Å; Q272-L275 PolarHBondContact O-N 3.14Å; Q272-K276 WeakPolarHBondContact O-CB 3.33Å; Q272-K276 PolarHBondContact O-N 3.42Å
273	M	91.8	Very high	86.2	Confident	48 Å²	48	64.2 Å²	64.2	24%	0.236	31%	0.313	C	S	.	.	H	α-helix	trans	-64.3	-46.9	174.7	-71.7	-175.1	73.1	0	0	111.8	F262 D269 T270 M271 L275 K276 A277 R299	F262-M273 HydrophobicContact CB-CB 4.07Å; F262-M273 HydrophobicContact CD1-CB 4.42Å; D269-M273 WeakPolarHBondContact O-CG 3.21Å; D269-M273 PolarHBondContact O-N 3.16Å; T270-M273 PolarHBondContact O-N 3.19Å; M271-M273 VanDerWaalsContact C-N 3.32Å; M271-M273 PolarHBondContact O-N 2.65Å; M273-L275 VanDerWaalsContact C-N 3.28Å; M273-L275 PolarHBondContact O-N 2.84Å; M273-K276 PolarHBondContact O-N 3.44Å; M273-A277 HydrophobicContact CB-CB 3.97Å; M273-A277 HydrophobicContact CE-CB 4.38Å; M273-A277 HydrophobicContact CG-CB 4.23Å; M273-A277 VanDerWaalsContact O-CB 3.28Å; M273-A277 WeakPolarHBondContact O-CB 3.09Å; M273-A277 PolarHBondContact O-N 3.42Å; M273-R299 PolarHBondContact O-NH2 3.36Å; M273-R299 VanDerWaalsContact O-NH2 3.09Å
274	I	92.5	Very high	86.3	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.005	33%	0.327	C	S	.	.	H	α-helix	trans	-55.8	-46	173.8	-69	163.4	0	0	0	110.2	V226 M229 P231 V234 W246 F262 T270 M271 R299	V226-I274 WeakPolarHBondContact O-CD1 3.4Å; M229-I274 WeakPolarHBondContact O-CG2 3.33Å; P231-I274 HydrophobicContact CB-CG2 4.46Å; P231-I274 HydrophobicContact CG-CG2 4.04Å; V234-I274 HydrophobicContact CG2-CB 4.49Å; V234-I274 HydrophobicContact CG2-CD1 4.2Å; V234-I274 HydrophobicContact CG2-CG2 3.92Å; W246-I274 HydrophobicContact CZ2-CG2 3.97Å; F262-I274 HydrophobicContact CB-CG1 3.78Å; F262-I274 HydrophobicContact CD2-CG1 4.3Å; F262-I274 HydrophobicContact CG-CG1 4.28Å; T270-I274 HydrophobicContact CG2-CD1 4.14Å; T270-I274 WeakPolarHBondContact O-CG1 3.41Å; T270-I274 PolarHBondContact O-N 3.1Å; M271-I274 PolarHBondContact O-N 3.32Å; I274-R299 PolarHBondContact O-NE 3.46Å; I274-R299 PolarHBondContact O-NH2 2.63Å
275	L	93	Very high	86.9	Confident	52 Å²	52	66.5 Å²	66.5	27%	0.272	32%	0.319	S	S	.	.	H	α-helix	trans	-69.3	-32.9	-179.4	-67.4	173.7	0	0	0	114.3	P231 V234 M271 Q272 M273 R299	P231-L275 HydrophobicContact CB-CD2 4.17Å; P231-L275 WeakPolarHBondContact O-CD2 3.25Å; V234-L275 HydrophobicContact CB-CD2 4.28Å; V234-L275 HydrophobicContact CG1-CD1 4.03Å; V234-L275 HydrophobicContact CG1-CD2 4.15Å; V234-L275 HydrophobicContact CG1-CG 3.95Å; M271-L275 VanDerWaalsContact O-CG 3.28Å; M271-L275 WeakPolarHBondContact O-CG 3.35Å; M271-L275 PolarHBondContact O-N 3.1Å; Q272-L275 PolarHBondContact O-N 3.14Å; M273-L275 VanDerWaalsContact C-N 3.28Å; M273-L275 PolarHBondContact O-N 2.84Å; L275-R299 WeakPolarHBondContact O-CD 3.3Å; L275-R299 PolarHBondContact O-NE 3.01Å
276	K	92.2	Very high	88.1	Confident	152 Å²	152	62.6 Å²	62.6	66%	0.661	30%	0.304	S	S	*	.	H	α-helix	trans	-136.3	-23.9	-165	-62.2	176.1	-178.1	161.7	0	117.4	Q272 M273	Q272-K276 WeakPolarHBondContact O-CB 3.33Å; Q272-K276 PolarHBondContact O-N 3.42Å; M273-K276 PolarHBondContact O-N 3.44Å
277	A	90.8	Very high	89.1	Confident	25 Å²	25	65.3 Å²	65.3	21%	0.207	32%	0.321	C	S	.	.	P	Polyproline II helix	trans	-69.6	146.1	-172.9	0	0	0	0	0	112.6	F262 M273 R299	F262-A277 HydrophobicContact CD1-CB 4.11Å; F262-A277 HydrophobicContact CE1-CB 4.25Å; M273-A277 HydrophobicContact CB-CB 3.97Å; M273-A277 HydrophobicContact CE-CB 4.38Å; M273-A277 HydrophobicContact CG-CB 4.23Å; M273-A277 VanDerWaalsContact O-CB 3.28Å; M273-A277 WeakPolarHBondContact O-CB 3.09Å; M273-A277 PolarHBondContact O-N 3.42Å; A277-R299 PolarHBondContact O-NH1 3.24Å; A277-R299 PolarHBondContact O-NH2 3.38Å
278	K	90.9	Very high	90.2	Very high	199 Å²	199	61 Å²	61	87%	0.865	31%	0.309	S	S	*	.	P	Polyproline II helix	trans	-67.3	140.6	169	-67.6	-177.4	178	-178.7	0	109.3	S280	K278-S280 PolarHBondContact O-N 3.22Å
279	L	92.1	Very high	90.8	Very high	44 Å²	44	53.9 Å²	53.9	23%	0.23	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-65.7	129.5	168.3	178	69	0	0	0	108.2	Y253 P261 F262 M281 L293 F297	Y253-L279 HydrophobicContact CD2-CD1 4.2Å; Y253-L279 HydrophobicContact CE2-CD1 4Å; P261-L279 HydrophobicContact CB-CD1 3.57Å; F262-L279 HydrophobicContact CZ-CB 4.4Å; F262-L279 HydrophobicContact CZ-CD1 4.25Å; L279-M281 HydrophobicContact CD2-CE 3.7Å; L279-L293 HydrophobicContact CD2-CB 4.5Å; L279-F297 HydrophobicContact CD1-CD2 3.7Å; L279-F297 HydrophobicContact CD1-CE2 3.9Å; L279-F297 HydrophobicContact CD1-CG 4.3Å; L279-F297 HydrophobicContact CD2-CB 4.18Å; L279-F297 HydrophobicContact CD2-CD2 3.55Å; L279-F297 HydrophobicContact CD2-CE2 4.37Å; L279-F297 HydrophobicContact CD2-CG 4.2Å; L279-F297 HydrophobicContact CG-CD2 4.24Å
280	S	87.8	Confident	91.3	Very high	63 Å²	63	51.4 Å²	51.4	44%	0.441	26%	0.264	S	S	.	.	P	Polyproline II helix	trans	-89.9	118.2	172.3	-153.6	0	0	0	0	107.6	Y253 K278 L796	Y253-S280 WeakPolarHBondContact CE2-O 3.4Å; Y253-S280 PolarHBondContact OH-O 3.01Å; K278-S280 PolarHBondContact O-N 3.22Å; S280-L796 WeakPolarHBondContact OG-CD2 3.35Å
281	M	92.2	Very high	91.9	Very high	33 Å²	33	53 Å²	53	16%	0.163	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-93.7	127.6	-177.4	-166.4	61.3	72.9	0	0	109.9	L279 Q290 L293 R294	L279-M281 HydrophobicContact CD2-CE 3.7Å; M281-Q290 HydrophobicContact CE-CB 4.04Å; M281-Q290 VanDerWaalsContact CE-O 3.3Å; M281-Q290 WeakPolarHBondContact CE-O 3.24Å; M281-Q290 HydrophobicContact CG-CB 3.93Å; M281-Q290 HydrophobicContact CG-CG 3.59Å; M281-Q290 HydrophobicContact SD-CB 3.71Å; M281-Q290 HydrophobicContact SD-CG 3.72Å; M281-L293 HydrophobicContact CE-CB 3.9Å; M281-L293 HydrophobicContact SD-CB 4.34Å; M281-L293 HydrophobicContact SD-CD1 3.91Å; M281-R294 HydrophobicContact CE-CG 3.73Å
282	P	82.1	Confident	92.3	Very high	0 Å²	0	51 Å²	51	0%	0	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-70.9	132.7	169.8	-1.9	15.4	0	0	0	110.7	Y253 T257 F284 L285 Q290 L796	Y253-P282 HydrophobicContact CE2-CG 4.38Å; T257-P282 HydrophobicContact CG2-CG 3.59Å; P282-F284 VanDerWaalsContact C-N 3.35Å; P282-F284 HydrophobicContact CB-CD1 3.46Å; P282-F284 VanDerWaalsContact CB-CD1 3.46Å; P282-F284 HydrophobicContact CB-CE1 3.35Å; P282-F284 HydrophobicContact CB-CG 4.29Å; P282-F284 HydrophobicContact CB-CZ 4.07Å; P282-F284 HydrophobicContact CG-CE1 4.16Å; P282-L285 HydrophobicContact CB-CD1 4.33Å; P282-L285 HydrophobicContact CB-CG 4.02Å; P282-L285 HydrophobicContact CG-CD1 3.66Å; P282-L285 HydrophobicContact CG-CG 3.9Å; P282-L285 PolarHBondContact O-N 3.45Å; P282-Q290 PolarHBondContact O-NE2 2.84Å; P282-L796 HydrophobicContact CB-CD1 3.52Å; P282-L796 HydrophobicContact CB-CG 4.23Å; P282-L796 HydrophobicContact CG-CD1 3.78Å
283	Q	85.8	Confident	92.6	Very high	82 Å²	82	47.3 Å²	47.3	38%	0.383	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-27.1	178.9	-57.9	-73.7	49.9	0	0	112.1	L285 I800 E803	Q283-L285 PolarHBondContact O-N 2.6Å; Q283-L285 VanDerWaalsContact O-N 3.16Å; Q283-I800 HydrophobicContact CG-CG1 4.32Å; Q283-E803 VanDerWaalsContact CB-OE1 3.28Å; Q283-E803 WeakPolarHBondContact CB-OE1 3.3Å; Q283-E803 VanDerWaalsContact CG-OE2 3.29Å; Q283-E803 WeakPolarHBondContact CG-OE2 3.4Å; Q283-E803 PolarHBondContact NE2-OE2 2.9Å; Q283-E803 VanDerWaalsContact NE2-OE2 3.13Å
284	F	86.6	Confident	92.9	Very high	74 Å²	74	50.5 Å²	50.5	33%	0.325	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-12.9	173.5	75	-96.1	0	0	0	115.3	T257 P282 I795 Q799	T257-F284 HydrophobicContact CG2-CZ 4.02Å; P282-F284 VanDerWaalsContact C-N 3.35Å; P282-F284 HydrophobicContact CB-CD1 3.46Å; P282-F284 VanDerWaalsContact CB-CD1 3.46Å; P282-F284 HydrophobicContact CB-CE1 3.35Å; P282-F284 HydrophobicContact CB-CG 4.29Å; P282-F284 HydrophobicContact CB-CZ 4.07Å; P282-F284 HydrophobicContact CG-CE1 4.16Å; F284-I795 HydrophobicContact CE1-CG2 4.49Å; F284-Q799 VanDerWaalsContact CD1-OE1 3.25Å
285	L	89.9	Confident	93.1	Very high	5 Å²	5	51.4 Å²	51.4	3%	0.026	27%	0.265	C	S	.	.	S	Bend	trans	-82.2	141.4	176.1	-66.7	-173	0	0	0	111.1	E159 L256 P282 Q283 A289 Q290 L293	E159-L285 WeakPolarHBondContact OE1-CA 3.49Å; L256-L285 HydrophobicContact CB-CD1 4.45Å; L256-L285 HydrophobicContact CB-CD2 4.01Å; L256-L285 HydrophobicContact CD1-CD1 3.93Å; L256-L285 HydrophobicContact CD1-CD2 4.08Å; L256-L285 HydrophobicContact CD2-CD2 4.17Å; L256-L285 HydrophobicContact CG-CD2 4.32Å; P282-L285 HydrophobicContact CB-CD1 4.33Å; P282-L285 HydrophobicContact CB-CG 4.02Å; P282-L285 HydrophobicContact CG-CD1 3.66Å; P282-L285 HydrophobicContact CG-CG 3.9Å; P282-L285 PolarHBondContact O-N 3.45Å; Q283-L285 PolarHBondContact O-N 2.6Å; Q283-L285 VanDerWaalsContact O-N 3.16Å; L285-A289 HydrophobicContact CB-CB 4.17Å; L285-Q290 HydrophobicContact CB-CG 3.88Å; L285-Q290 PolarHBondContact O-NE2 2.91Å; L285-L293 HydrophobicContact CD1-CD1 3.61Å
286	S	94.7	Very high	93.3	Very high	30 Å²	30	49 Å²	49	21%	0.21	25%	0.252	C	S	.	.			trans	-56.4	151.8	175.8	71.7	0	0	0	0	111.8	E159 S288 A289 Q290	E159-S286 PolarHBondContact OE1-N 2.93Å; E159-S286 PolarHBondContact OE1-OG 2.64Å; E159-S286 WeakPolarHBondContact OE2-CB 3.22Å; E159-S286 PolarHBondContact OE2-OG 2.83Å; S286-S288 PolarHBondContact O-N 2.94Å; S286-S288 VanDerWaalsContact O-N 3.1Å; S286-S288 PolarHBondContact OG-OG 2.81Å; S286-S288 VanDerWaalsContact OG-OG 3.09Å; S286-A289 PolarHBondContact O-N 3.34Å; S286-A289 VanDerWaalsContact O-N 3.11Å; S286-A289 WeakPolarHBondContact OG-CB 3Å; S286-A289 PolarHBondContact OG-N 2.83Å; S286-A289 VanDerWaalsContact OG-N 3.15Å; S286-Q290 WeakPolarHBondContact O-CG 3.23Å; S286-Q290 PolarHBondContact O-N 3.36Å
287	P	96.7	Very high	93.6	Very high	99 Å²	99	42.5 Å²	42.5	64%	0.643	23%	0.225	S	C	*	.	H	α-helix	trans	-51.4	-37.3	177.2	-29.2	36.2	0	0	0	113.3	S291 R294	P287-S291 WeakPolarHBondContact O-CB 3.46Å; P287-S291 PolarHBondContact O-N 2.92Å; P287-R294 PolarHBondContact O-NH2 3.22Å
288	S	97	Very high	93.8	Very high	27 Å²	27	46 Å²	46	19%	0.189	24%	0.235	C	C	.	.	H	α-helix	trans	-71.6	-41.9	179	59.8	0	0	0	0	112.9	S286 S291 L292 H318	S286-S288 PolarHBondContact O-N 2.94Å; S286-S288 VanDerWaalsContact O-N 3.1Å; S286-S288 PolarHBondContact OG-OG 2.81Å; S286-S288 VanDerWaalsContact OG-OG 3.09Å; S288-S291 WeakPolarHBondContact O-CB 3.34Å; S288-S291 PolarHBondContact O-N 2.71Å; S288-L292 PolarHBondContact O-N 2.85Å; S288-H318 PolarHBondContact O-CE1 2.87Å
289	A	97	Very high	94	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-61.4	-45.5	172.5	0	0	0	0	0	111.3	M252 L256 L285 S286 S291 L292 L293 F320	M252-A289 HydrophobicContact CE-CB 4.04Å; L256-A289 HydrophobicContact CD1-CB 4.47Å; L285-A289 HydrophobicContact CB-CB 4.17Å; S286-A289 PolarHBondContact O-N 3.34Å; S286-A289 VanDerWaalsContact O-N 3.11Å; S286-A289 WeakPolarHBondContact OG-CB 3Å; S286-A289 PolarHBondContact OG-N 2.83Å; S286-A289 VanDerWaalsContact OG-N 3.15Å; A289-S291 VanDerWaalsContact C-N 3.31Å; A289-S291 PolarHBondContact O-N 3.38Å; A289-L292 PolarHBondContact O-N 2.89Å; A289-L293 VanDerWaalsContact O-CG 3.3Å; A289-L293 WeakPolarHBondContact O-CG 3.5Å; A289-L293 PolarHBondContact O-N 2.97Å; A289-L293 VanDerWaalsContact O-N 3.11Å; A289-F320 HydrophobicContact CB-CD2 3.84Å; A289-F320 HydrophobicContact CB-CE2 3.73Å
290	Q	97.8	Very high	94	Very high	26 Å²	26	41.9 Å²	41.9	12%	0.121	22%	0.22	C	C	.	.	H	α-helix	trans	-63.3	-36.8	175.3	-59.8	-175.2	22.9	0	0	112.6	M281 P282 L285 S286 R294	M281-Q290 HydrophobicContact CE-CB 4.04Å; M281-Q290 VanDerWaalsContact CE-O 3.3Å; M281-Q290 WeakPolarHBondContact CE-O 3.24Å; M281-Q290 HydrophobicContact CG-CB 3.93Å; M281-Q290 HydrophobicContact CG-CG 3.59Å; M281-Q290 HydrophobicContact SD-CB 3.71Å; M281-Q290 HydrophobicContact SD-CG 3.72Å; P282-Q290 PolarHBondContact O-NE2 2.84Å; L285-Q290 HydrophobicContact CB-CG 3.88Å; L285-Q290 PolarHBondContact O-NE2 2.91Å; S286-Q290 WeakPolarHBondContact O-CG 3.23Å; S286-Q290 PolarHBondContact O-N 3.36Å; Q290-R294 WeakPolarHBondContact O-CG 3.3Å; Q290-R294 PolarHBondContact O-N 2.71Å; Q290-R294 PolarHBondContact O-NE 2.91Å
291	S	97.6	Very high	94.2	Very high	33 Å²	33	40.7 Å²	40.7	23%	0.231	21%	0.21	C	C	.	.	H	α-helix	trans	-64.3	-46.3	179	-163.7	0	0	0	0	111.1	P287 S288 A289 L293 R294 A295 E319	P287-S291 WeakPolarHBondContact O-CB 3.46Å; P287-S291 PolarHBondContact O-N 2.92Å; S288-S291 WeakPolarHBondContact O-CB 3.34Å; S288-S291 PolarHBondContact O-N 2.71Å; A289-S291 VanDerWaalsContact C-N 3.31Å; A289-S291 PolarHBondContact O-N 3.38Å; S291-L293 PolarHBondContact O-N 2.82Å; S291-R294 WeakPolarHBondContact O-CB 3.23Å; S291-R294 PolarHBondContact O-N 3.15Å; S291-A295 PolarHBondContact O-N 3.17Å; S291-E319 WeakPolarHBondContact CB-OE1 3.32Å; S291-E319 PolarHBondContact OG-OE1 2.83Å
292	L	98.1	Very high	94.3	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-60.9	-47.2	176.6	-177.3	52.5	0	0	0	111.2	M252 S288 A289 R294 A295 L296 L305 H318 F320 F321	M252-L292 HydrophobicContact CE-CB 4.09Å; M252-L292 HydrophobicContact CE-CD2 3.85Å; M252-L292 HydrophobicContact CE-CG 4.18Å; M252-L292 HydrophobicContact SD-CB 4.24Å; M252-L292 HydrophobicContact SD-CD2 3.62Å; M252-L292 HydrophobicContact SD-CG 3.78Å; S288-L292 PolarHBondContact O-N 2.85Å; A289-L292 PolarHBondContact O-N 2.89Å; L292-R294 VanDerWaalsContact C-N 3.33Å; L292-R294 PolarHBondContact O-N 3.46Å; L292-A295 WeakPolarHBondContact O-CB 3.3Å; L292-A295 PolarHBondContact O-N 3.14Å; L292-L296 HydrophobicContact CD1-CD1 3.79Å; L292-L296 HydrophobicContact CD1-CG 4Å; L292-L296 HydrophobicContact CG-CD1 3.74Å; L292-L296 HydrophobicContact CG-CG 4.4Å; L292-L296 WeakPolarHBondContact O-CG 3.48Å; L292-L296 PolarHBondContact O-N 3.37Å; L292-L305 HydrophobicContact CD1-CD2 3.45Å; L292-L305 VanDerWaalsContact CD1-CD2 3.45Å; L292-H318 VanDerWaalsContact CA-CE1 3.47Å; L292-H318 WeakPolarHBondContact CA-CE1 3.3Å; L292-H318 VanDerWaalsContact CB-CE1 3.47Å; L292-H318 WeakPolarHBondContact CB-CE1 3.47Å; L292-H318 HydrophobicContact CD1-CB 4.46Å; L292-H318 PolarHBondContact N-CE1 3.12Å; L292-H318 PolarHBondContact N-NE2 3.21Å; L292-F320 HydrophobicContact CB-CB 4.29Å; L292-F320 HydrophobicContact CD2-CB 3.89Å; L292-F320 HydrophobicContact CD2-CD1 3.41Å; L292-F320 VanDerWaalsContact CD2-CD1 3.41Å; L292-F320 HydrophobicContact CD2-CE1 4.16Å; L292-F320 HydrophobicContact CD2-CG 3.83Å; L292-F321 HydrophobicContact CD1-CE2 4.48Å; L292-F321 HydrophobicContact CD2-CD2 4.36Å; L292-F321 HydrophobicContact CD2-CE2 3.54Å; L292-F321 HydrophobicContact CD2-CZ 3.88Å
293	L	98.1	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-58.6	-41.6	176	-69.8	168.1	0	0	0	112	M252 Y253 L279 M281 L285 A289 S291 A295 L296 F297	M252-L293 HydrophobicContact CB-CD2 4.12Å; M252-L293 HydrophobicContact CE-CD1 4.47Å; M252-L293 HydrophobicContact CE-CD2 4.36Å; M252-L293 HydrophobicContact CE-CG 3.98Å; M252-L293 HydrophobicContact CG-CD2 3.79Å; M252-L293 HydrophobicContact CG-CG 4.41Å; M252-L293 HydrophobicContact SD-CD2 3.66Å; M252-L293 HydrophobicContact SD-CG 3.85Å; Y253-L293 HydrophobicContact CD2-CD1 4.21Å; Y253-L293 HydrophobicContact CD2-CD2 4.25Å; L279-L293 HydrophobicContact CD2-CB 4.5Å; M281-L293 HydrophobicContact CE-CB 3.9Å; M281-L293 HydrophobicContact SD-CB 4.34Å; M281-L293 HydrophobicContact SD-CD1 3.91Å; L285-L293 HydrophobicContact CD1-CD1 3.61Å; A289-L293 VanDerWaalsContact O-CG 3.3Å; A289-L293 WeakPolarHBondContact O-CG 3.5Å; A289-L293 PolarHBondContact O-N 2.97Å; A289-L293 VanDerWaalsContact O-N 3.11Å; S291-L293 PolarHBondContact O-N 2.82Å; L293-A295 VanDerWaalsContact C-N 3.28Å; L293-A295 PolarHBondContact O-N 2.89Å; L293-L296 PolarHBondContact O-N 3.29Å; L293-F297 HydrophobicContact CB-CD2 4.4Å; L293-F297 HydrophobicContact CD2-CD2 4.46Å; L293-F297 HydrophobicContact CD2-CE2 3.84Å; L293-F297 WeakPolarHBondContact O-CB 3.18Å; L293-F297 WeakPolarHBondContact O-CD2 3.49Å; L293-F297 PolarHBondContact O-N 2.88Å
294	R	97.6	Very high	95.4	Very high	115 Å²	115	43.4 Å²	43.4	43%	0.434	23%	0.233	S	C	.	.	H	α-helix	trans	-63.3	-32	174.6	-75.7	179.4	-69.7	-104.9	1.6	112.9	M281 P287 Q290 S291 L292 K298	M281-R294 HydrophobicContact CE-CG 3.73Å; P287-R294 PolarHBondContact O-NH2 3.22Å; Q290-R294 WeakPolarHBondContact O-CG 3.3Å; Q290-R294 PolarHBondContact O-N 2.71Å; Q290-R294 PolarHBondContact O-NE 2.91Å; S291-R294 WeakPolarHBondContact O-CB 3.23Å; S291-R294 PolarHBondContact O-N 3.15Å; L292-R294 VanDerWaalsContact C-N 3.33Å; L292-R294 PolarHBondContact O-N 3.46Å; R294-K298 VanDerWaalsContact O-CE 3.26Å; R294-K298 WeakPolarHBondContact O-CE 3.21Å
295	A	97.5	Very high	95.9	Very high	21 Å²	21	41.2 Å²	41.2	17%	0.174	22%	0.224	C	C	.	.	H	α-helix	trans	-80	-34.9	179.9	0	0	0	0	0	112.6	S291 L292 L293 K298 L305	S291-A295 PolarHBondContact O-N 3.17Å; L292-A295 WeakPolarHBondContact O-CB 3.3Å; L292-A295 PolarHBondContact O-N 3.14Å; L293-A295 VanDerWaalsContact C-N 3.28Å; L293-A295 PolarHBondContact O-N 2.89Å; A295-K298 WeakPolarHBondContact O-CG 3.4Å; A295-L305 HydrophobicContact CB-CB 3.85Å; A295-L305 HydrophobicContact CB-CD2 4.02Å; A295-L305 HydrophobicContact CB-CG 4.47Å; A295-L305 PolarHBondContact O-N 3.34Å
296	L	97.6	Very high	96	Very high	0 Å²	0	41.1 Å²	41.1	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-77.7	-33.5	176.8	-65.2	167.4	0	0	0	113.1	W245 F248 M252 L292 L293 K298 R304 L305 L315	W245-L296 HydrophobicContact CB-CD2 4.39Å; F248-L296 HydrophobicContact CD1-CD1 3.83Å; F248-L296 HydrophobicContact CD1-CD2 4.21Å; F248-L296 HydrophobicContact CE1-CD1 4.22Å; M252-L296 HydrophobicContact SD-CD1 4.32Å; L292-L296 HydrophobicContact CD1-CD1 3.79Å; L292-L296 HydrophobicContact CD1-CG 4Å; L292-L296 HydrophobicContact CG-CD1 3.74Å; L292-L296 HydrophobicContact CG-CG 4.4Å; L292-L296 WeakPolarHBondContact O-CG 3.48Å; L292-L296 PolarHBondContact O-N 3.37Å; L293-L296 PolarHBondContact O-N 3.29Å; L296-K298 PolarHBondContact O-N 3.08Å; L296-K298 VanDerWaalsContact O-N 3.17Å; L296-R304 VanDerWaalsContact O-CD 3.26Å; L296-R304 WeakPolarHBondContact O-CD 3.45Å; L296-R304 WeakPolarHBondContact O-CG 3.48Å; L296-L305 HydrophobicContact CD2-CB 4.23Å; L296-L315 HydrophobicContact CD2-CD1 3.97Å
297	F	97.1	Very high	96	Very high	17 Å²	17	44.6 Å²	44.6	8%	0.075	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	27	179.6	-71.5	-57.4	0	0	0	115.4	W246 G249 V250 Y253 P261 F262 L279 L293 R299	W246-F297 HydrophobicContact CD2-CD1 4.01Å; W246-F297 HydrophobicContact CD2-CE1 4.29Å; W246-F297 AromaticContact CE3-CD1 3.89Å; W246-F297 HydrophobicContact CE3-CD1 3.89Å; W246-F297 AromaticContact CH2-CD1 3.85Å; W246-F297 HydrophobicContact CH2-CD1 3.85Å; W246-F297 AromaticContact CZ2-CD1 3.95Å; W246-F297 HydrophobicContact CZ2-CD1 3.95Å; W246-F297 HydrophobicContact CZ2-CE1 4.28Å; W246-F297 HydrophobicContact CZ3-CB 4.31Å; W246-F297 AromaticContact CZ3-CD1 3.82Å; W246-F297 HydrophobicContact CZ3-CD1 3.82Å; G249-F297 VanDerWaalsContact O-CZ 3.26Å; G249-F297 WeakPolarHBondContact O-CZ 3.45Å; V250-F297 HydrophobicContact CG2-CE1 3.65Å; V250-F297 HydrophobicContact CG2-CZ 4.03Å; Y253-F297 HydrophobicContact CD2-CE2 4.46Å; P261-F297 HydrophobicContact CB-CE2 4.5Å; P261-F297 HydrophobicContact CB-CZ 4.26Å; P261-F297 HydrophobicContact CG-CE1 3.93Å; P261-F297 HydrophobicContact CG-CE2 4.25Å; P261-F297 HydrophobicContact CG-CZ 3.56Å; F262-F297 AromaticContact CE2-CD1 3.9Å; F262-F297 HydrophobicContact CE2-CD1 3.9Å; F262-F297 HydrophobicContact CE2-CE1 4.06Å; L279-F297 HydrophobicContact CD1-CD2 3.7Å; L279-F297 HydrophobicContact CD1-CE2 3.9Å; L279-F297 HydrophobicContact CD1-CG 4.3Å; L279-F297 HydrophobicContact CD2-CB 4.18Å; L279-F297 HydrophobicContact CD2-CD2 3.55Å; L279-F297 HydrophobicContact CD2-CE2 4.37Å; L279-F297 HydrophobicContact CD2-CG 4.2Å; L279-F297 HydrophobicContact CG-CD2 4.24Å; L293-F297 HydrophobicContact CB-CD2 4.4Å; L293-F297 HydrophobicContact CD2-CD2 4.46Å; L293-F297 HydrophobicContact CD2-CE2 3.84Å; L293-F297 WeakPolarHBondContact O-CB 3.18Å; L293-F297 WeakPolarHBondContact O-CD2 3.49Å; L293-F297 PolarHBondContact O-N 2.88Å; F297-R299 PolarHBondContact O-N 3.32Å
298	K	96	Very high	95.6	Very high	97 Å²	97	40.8 Å²	40.8	42%	0.422	21%	0.213	S	C	.	.			trans	-75.3	120.7	172.6	-60.1	-81.7	-172	-179.5	0	109	R294 A295 L296 N303 R304	R294-K298 VanDerWaalsContact O-CE 3.26Å; R294-K298 WeakPolarHBondContact O-CE 3.21Å; A295-K298 WeakPolarHBondContact O-CG 3.4Å; L296-K298 PolarHBondContact O-N 3.08Å; L296-K298 VanDerWaalsContact O-N 3.17Å; K298-N303 HydrophobicContact CB-CB 4.36Å; K298-N303 WeakPolarHBondContact CB-O 3.3Å; K298-N303 VanDerWaalsContact CG-O 3.22Å; K298-N303 WeakPolarHBondContact CG-O 3.24Å; K298-R304 HydrophobicContact CB-CB 4.08Å; K298-R304 HydrophobicContact CB-CG 4.37Å; K298-R304 PolarHBondContact O-NE 3Å; K298-R304 PolarHBondContact O-NH2 3.3Å; K298-R304 VanDerWaalsContact O-NH2 3.12Å
299	R	93.9	Very high	95.2	Very high	79 Å²	79	45.6 Å²	45.6	30%	0.298	24%	0.243	S	C	.	.	S	Bend	trans	-67.6	-44	-174.3	-71.9	-170.7	155.2	88.7	7.4	113	P231 W246 M273 I274 L275 A277 F297 P301 R304	P231-R299 HydrophobicContact CG-CB 4.39Å; P231-R299 HydrophobicContact CG-CG 4.12Å; W246-R299 HydrophobicContact CZ3-CG 4.38Å; M273-R299 PolarHBondContact O-NH2 3.36Å; M273-R299 VanDerWaalsContact O-NH2 3.09Å; I274-R299 PolarHBondContact O-NE 3.46Å; I274-R299 PolarHBondContact O-NH2 2.63Å; L275-R299 WeakPolarHBondContact O-CD 3.3Å; L275-R299 PolarHBondContact O-NE 3.01Å; A277-R299 PolarHBondContact O-NH1 3.24Å; A277-R299 PolarHBondContact O-NH2 3.38Å; F297-R299 PolarHBondContact O-N 3.32Å; R299-P301 WeakPolarHBondContact O-CD 3.11Å; R299-R304 PolarHBondContact O-NH2 3.06Å
300	T	92.6	Very high	94.9	Very high	78 Å²	78	50.2 Å²	50.2	48%	0.479	27%	0.268	S	S	.	.	S	Bend	trans	-70.5	120.5	171.1	-47.3	0	0	0	0	108.9	S302 N303	T300-S302 VanDerWaalsContact C-N 3.3Å; T300-S302 WeakPolarHBondContact CG2-OG 3.01Å; T300-S302 PolarHBondContact O-N 3.12Å; T300-N303 PolarHBondContact O-N 2.77Å; T300-N303 VanDerWaalsContact O-N 3.1Å
301	P	92.5	Very high	94.6	Very high	38 Å²	38	49 Å²	49	25%	0.247	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-56.2	-41.7	-176.4	-28.9	37	0	0	0	113.3	E232 A242 R299 N303 R304 Y307	E232-P301 HydrophobicContact CB-CG 4.26Å; E232-P301 HydrophobicContact CG-CG 4.07Å; A242-P301 HydrophobicContact CB-CB 3.96Å; R299-P301 WeakPolarHBondContact O-CD 3.11Å; P301-N303 PolarHBondContact O-N 3.15Å; P301-R304 WeakPolarHBondContact O-CB 3.42Å; P301-R304 PolarHBondContact O-N 3.06Å; P301-Y307 VanDerWaalsContact C-CD2 3.44Å; P301-Y307 HydrophobicContact CB-CD2 4.17Å; P301-Y307 HydrophobicContact CB-CE2 4.3Å; P301-Y307 VanDerWaalsContact O-CB 3.29Å; P301-Y307 WeakPolarHBondContact O-CB 3.34Å; P301-Y307 VanDerWaalsContact O-CD2 3.24Å; P301-Y307 WeakPolarHBondContact O-CD2 3.28Å
302	S	93.6	Very high	94.5	Very high	61 Å²	61	48 Å²	48	43%	0.427	25%	0.254	S	S	.	.	G	3₁₀ helix	trans	-59.6	-18.1	180	62.8	0	0	0	0	115.3	T300	T300-S302 VanDerWaalsContact C-N 3.3Å; T300-S302 WeakPolarHBondContact CG2-OG 3.01Å; T300-S302 PolarHBondContact O-N 3.12Å
303	N	95.1	Very high	94.4	Very high	104 Å²	104	52 Å²	52	56%	0.556	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-104.2	1.6	-177.6	-59.7	1.6	0	0	0	111.6	K298 T300 P301	K298-N303 HydrophobicContact CB-CB 4.36Å; K298-N303 WeakPolarHBondContact CB-O 3.3Å; K298-N303 VanDerWaalsContact CG-O 3.22Å; K298-N303 WeakPolarHBondContact CG-O 3.24Å; T300-N303 PolarHBondContact O-N 2.77Å; T300-N303 VanDerWaalsContact O-N 3.1Å; P301-N303 PolarHBondContact O-N 3.15Å
304	R	96.6	Very high	94.3	Very high	8 Å²	8	57.4 Å²	57.4	3%	0.03	30%	0.298	C	S	.	.	S	Bend	trans	-88.9	138.5	-175.4	-162.8	179.2	-61.5	149.4	4.4	110.3	E232 A242 L296 K298 R299 P301 G306 Y307	E232-R304 IonicContact OE1-CZ 2.73Å; E232-R304 IonicContact OE1-NH1 3.69Å; E232-R304 PolarHBondContact OE1-NH1 2.97Å; E232-R304 IonicContact OE1-NH2 2.9Å; E232-R304 PolarHBondContact OE1-NH2 2.87Å; E232-R304 IonicContact OE2-CZ 3.9Å; E232-R304 IonicContact OE2-NH1 3.91Å; E232-R304 IonicContact OE2-NH2 2.71Å; E232-R304 PolarHBondContact OE2-NH2 2.74Å; A242-R304 PolarHBondContact O-NH1 3.21Å; L296-R304 VanDerWaalsContact O-CD 3.26Å; L296-R304 WeakPolarHBondContact O-CD 3.45Å; L296-R304 WeakPolarHBondContact O-CG 3.48Å; K298-R304 HydrophobicContact CB-CB 4.08Å; K298-R304 HydrophobicContact CB-CG 4.37Å; K298-R304 PolarHBondContact O-NE 3Å; K298-R304 PolarHBondContact O-NH2 3.3Å; K298-R304 VanDerWaalsContact O-NH2 3.12Å; R299-R304 PolarHBondContact O-NH2 3.06Å; P301-R304 WeakPolarHBondContact O-CB 3.42Å; P301-R304 PolarHBondContact O-N 3.06Å; R304-G306 PolarHBondContact O-N 3.48Å; R304-Y307 WeakPolarHBondContact O-CB 3.46Å; R304-Y307 PolarHBondContact O-N 3.23Å; R304-Y307 VanDerWaalsContact O-N 3.08Å
305	L	96	Very high	94.3	Very high	27 Å²	27	51.9 Å²	51.9	14%	0.141	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	137.7	169.6	-164	66.8	0	0	0	109.4	L292 A295 L296 H314 L315 H318	L292-L305 HydrophobicContact CD1-CD2 3.45Å; L292-L305 VanDerWaalsContact CD1-CD2 3.45Å; A295-L305 HydrophobicContact CB-CB 3.85Å; A295-L305 HydrophobicContact CB-CD2 4.02Å; A295-L305 HydrophobicContact CB-CG 4.47Å; A295-L305 PolarHBondContact O-N 3.34Å; L296-L305 HydrophobicContact CD2-CB 4.23Å; L305-H314 HydrophobicContact CD1-CB 3.73Å; L305-L315 HydrophobicContact CD2-CB 4.36Å; L305-L315 HydrophobicContact CD2-CD1 4.17Å; L305-L315 HydrophobicContact CD2-CG 4.39Å; L305-L315 HydrophobicContact CG-CB 4.22Å; L305-L315 HydrophobicContact CG-CD1 4.31Å; L305-H318 HydrophobicContact CD2-CB 4.4Å
306	G	93.4	Very high	94.2	Very high	4 Å²	4	53.1 Å²	53.1	4%	0.041	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	-6.7	-169.6	0	0	0	0	0	115.4	W245 R304 G311	W245-G306 VanDerWaalsContact CD1-C 3.47Å; W245-G306 VanDerWaalsContact CD1-CA 3.47Å; W245-G306 PolarHBondContact NE1-O 3.04Å; R304-G306 PolarHBondContact O-N 3.48Å; G306-G311 VanDerWaalsContact CA-O 3.3Å; G306-G311 WeakPolarHBondContact CA-O 3.19Å; G306-G311 PolarHBondContact N-O 3.39Å
307	Y	93.1	Very high	94.2	Very high	102 Å²	102	59.3 Å²	59.3	40%	0.4	31%	0.312	S	S	.	.			trans	-78	141.1	175.8	-178.7	-88.7	0	0	0	113	A242 P301 R304 G311	A242-Y307 HydrophobicContact CB-CD2 4.01Å; P301-Y307 VanDerWaalsContact C-CD2 3.44Å; P301-Y307 HydrophobicContact CB-CD2 4.17Å; P301-Y307 HydrophobicContact CB-CE2 4.3Å; P301-Y307 VanDerWaalsContact O-CB 3.29Å; P301-Y307 WeakPolarHBondContact O-CB 3.34Å; P301-Y307 VanDerWaalsContact O-CD2 3.24Å; P301-Y307 WeakPolarHBondContact O-CD2 3.28Å; R304-Y307 WeakPolarHBondContact O-CB 3.46Å; R304-Y307 PolarHBondContact O-N 3.23Å; R304-Y307 VanDerWaalsContact O-N 3.08Å; Y307-G311 VanDerWaalsContact O-CA 3.29Å; Y307-G311 WeakPolarHBondContact O-CA 2.85Å
308	G	89.1	Confident	94.2	Very high	20 Å²	20	59.7 Å²	59.7	21%	0.206	31%	0.314	C	S	.	.	S	Bend	trans	79.1	178.5	174.6	0	0	0	0	0	113.9	D310 G311	G308-D310 PolarHBondContact O-N 3.04Å; G308-G311 PolarHBondContact O-N 3Å
309	P	88	Confident	94.3	Very high	128 Å²	128	59.6 Å²	59.6	83%	0.831	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.5	-42.7	-172.9	23.5	-33.5	0	0	0	112.9	G311	P309-G311 PolarHBondContact O-N 3.37Å
310	D	91.7	Very high	94.4	Very high	96 Å²	96	55.9 Å²	55.9	51%	0.513	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	6.7	177.5	-47.6	-66	0	0	0	112.8	G308 F312 E313 H314	G308-D310 PolarHBondContact O-N 3.04Å; D310-F312 VanDerWaalsContact C-N 3.29Å; D310-F312 PolarHBondContact O-N 3.18Å; D310-E313 PolarHBondContact O-N 2.81Å; D310-E313 VanDerWaalsContact O-N 3.1Å; D310-H314 PolarHBondContact O-N 2.8Å; D310-H314 PolarHBondContact O-ND1 3.03Å
311	G	92.2	Very high	94.7	Very high	1 Å²	1	52.2 Å²	52.2	1%	0.01	28%	0.278	C	S	.	.	H	α-helix	trans	-57.5	-40	-173.2	0	0	0	0	0	113.3	G306 Y307 G308 P309 L315	G306-G311 VanDerWaalsContact CA-O 3.3Å; G306-G311 WeakPolarHBondContact CA-O 3.19Å; G306-G311 PolarHBondContact N-O 3.39Å; Y307-G311 VanDerWaalsContact O-CA 3.29Å; Y307-G311 WeakPolarHBondContact O-CA 2.85Å; G308-G311 PolarHBondContact O-N 3Å; P309-G311 PolarHBondContact O-N 3.37Å; G311-L315 PolarHBondContact O-N 3.49Å
312	F	95.5	Very high	94.8	Very high	13 Å²	13	56.5 Å²	56.5	6%	0.057	30%	0.299	C	S	.	.	H	α-helix	trans	-72.1	-37.4	176	178.6	-118.1	0	0	0	112.7	A170 L171 N174 W245 D310 H314 L315 K316 W326	A170-F312 HydrophobicContact CB-CE2 3.92Å; L171-F312 HydrophobicContact CD2-CE1 4.4Å; L171-F312 HydrophobicContact CD2-CZ 3.88Å; L171-F312 HydrophobicContact CG-CZ 4.38Å; N174-F312 HydrophobicContact CB-CB 4.27Å; N174-F312 HydrophobicContact CB-CD1 3.78Å; N174-F312 HydrophobicContact CB-CD2 3.74Å; N174-F312 HydrophobicContact CB-CE1 3.96Å; N174-F312 HydrophobicContact CB-CE2 3.95Å; N174-F312 HydrophobicContact CB-CG 3.65Å; N174-F312 HydrophobicContact CB-CZ 4.05Å; N174-F312 VanDerWaalsContact CG-CG 3.41Å; N174-F312 WeakPolarHBondContact ND2-CD1 3.49Å; N174-F312 VanDerWaalsContact OD1-CB 3.25Å; N174-F312 WeakPolarHBondContact OD1-CB 3.14Å; N174-F312 WeakPolarHBondContact OD1-CD1 3.35Å; N174-F312 WeakPolarHBondContact OD1-CG 3.38Å; W245-F312 AromaticContact CH2-CD2 3.85Å; W245-F312 HydrophobicContact CH2-CD2 3.85Å; W245-F312 HydrophobicContact CH2-CE2 4.46Å; W245-F312 HydrophobicContact CZ2-CD2 4.25Å; D310-F312 VanDerWaalsContact C-N 3.29Å; D310-F312 PolarHBondContact O-N 3.18Å; F312-H314 VanDerWaalsContact C-N 3.33Å; F312-H314 PolarHBondContact O-N 3.45Å; F312-L315 HydrophobicContact CD2-CD2 4.25Å; F312-L315 HydrophobicContact CE2-CD2 4.32Å; F312-L315 WeakPolarHBondContact O-CA 3.45Å; F312-L315 WeakPolarHBondContact O-CB 3.24Å; F312-L315 PolarHBondContact O-N 3.11Å; F312-L315 VanDerWaalsContact O-N 3.08Å; F312-K316 HydrophobicContact CD1-CD 4.15Å; F312-K316 HydrophobicContact CD1-CG 4.31Å; F312-K316 HydrophobicContact CD2-CG 4.34Å; F312-K316 HydrophobicContact CE1-CD 3.49Å; F312-K316 VanDerWaalsContact CE1-CD 3.49Å; F312-K316 HydrophobicContact CE1-CG 3.87Å; F312-K316 HydrophobicContact CE2-CD 4.37Å; F312-K316 HydrophobicContact CE2-CG 3.88Å; F312-K316 HydrophobicContact CZ-CD 3.62Å; F312-K316 HydrophobicContact CZ-CG 3.63Å; F312-K316 PolarHBondContact O-N 3.06Å; F312-W326 HydrophobicContact CE2-CZ3 4.32Å; F312-W326 HydrophobicContact CZ-CE3 4.32Å; F312-W326 HydrophobicContact CZ-CZ3 4.21Å
313	E	95.8	Very high	94.8	Very high	82 Å²	82	58 Å²	58	38%	0.383	31%	0.306	S	S	.	.	H	α-helix	trans	-62.1	-41.9	174.3	-65	-55.8	137.9	0	0	111.3	D310 L315 K316 N317	D310-E313 PolarHBondContact O-N 2.81Å; D310-E313 VanDerWaalsContact O-N 3.1Å; E313-L315 VanDerWaalsContact C-N 3.28Å; E313-L315 PolarHBondContact O-N 3.47Å; E313-K316 PolarHBondContact O-N 3.02Å; E313-K316 WeakPolarHBondContact OE1-CE 3.34Å; E313-K316 IonicContact OE1-NZ 2.73Å; E313-K316 PolarHBondContact OE1-NZ 2.89Å; E313-K316 WeakPolarHBondContact OE2-CE 3.42Å; E313-K316 IonicContact OE2-NZ 2.63Å; E313-K316 PolarHBondContact OE2-NZ 3.41Å; E313-N317 WeakPolarHBondContact O-CB 3.2Å; E313-N317 PolarHBondContact O-N 3.24Å; E313-N317 PolarHBondContact O-ND2 3.21Å
314	H	95.8	Very high	94.8	Very high	114 Å²	114	54.1 Å²	54.1	53%	0.528	29%	0.285	S	S	.	.	H	α-helix	trans	-62.5	-34	172.7	-62.5	130.8	0	0	0	112.7	L305 D310 F312	L305-H314 HydrophobicContact CD1-CB 3.73Å; D310-H314 PolarHBondContact O-N 2.8Å; D310-H314 PolarHBondContact O-ND1 3.03Å; F312-H314 VanDerWaalsContact C-N 3.33Å; F312-H314 PolarHBondContact O-N 3.45Å
315	L	96.7	Very high	94.8	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-70.7	-44.3	175.8	-173.7	125.5	0	0	0	112	A170 W245 F248 L296 L305 G311 F312 E313 N317 H318 F321	A170-L315 HydrophobicContact CB-CD2 3.7Å; W245-L315 HydrophobicContact CE3-CD1 3.75Å; W245-L315 HydrophobicContact CH2-CD2 4.31Å; W245-L315 HydrophobicContact CZ3-CD1 3.81Å; W245-L315 HydrophobicContact CZ3-CD2 3.94Å; W245-L315 HydrophobicContact CZ3-CG 4.47Å; F248-L315 HydrophobicContact CE1-CD1 4.18Å; F248-L315 HydrophobicContact CZ-CD2 4.5Å; L296-L315 HydrophobicContact CD2-CD1 3.97Å; L305-L315 HydrophobicContact CD2-CB 4.36Å; L305-L315 HydrophobicContact CD2-CD1 4.17Å; L305-L315 HydrophobicContact CD2-CG 4.39Å; L305-L315 HydrophobicContact CG-CB 4.22Å; L305-L315 HydrophobicContact CG-CD1 4.31Å; G311-L315 PolarHBondContact O-N 3.49Å; F312-L315 HydrophobicContact CD2-CD2 4.25Å; F312-L315 HydrophobicContact CE2-CD2 4.32Å; F312-L315 WeakPolarHBondContact O-CA 3.45Å; F312-L315 WeakPolarHBondContact O-CB 3.24Å; F312-L315 PolarHBondContact O-N 3.11Å; F312-L315 VanDerWaalsContact O-N 3.08Å; E313-L315 VanDerWaalsContact C-N 3.28Å; E313-L315 PolarHBondContact O-N 3.47Å; L315-N317 VanDerWaalsContact C-N 3.32Å; L315-N317 PolarHBondContact O-N 3.42Å; L315-H318 VanDerWaalsContact O-CB 3.25Å; L315-H318 WeakPolarHBondContact O-CB 3.25Å; L315-H318 PolarHBondContact O-N 3.22Å; L315-F321 HydrophobicContact CD2-CE2 4.13Å; L315-F321 HydrophobicContact CG-CE2 4.26Å; L315-F321 WeakPolarHBondContact O-CD2 3.26Å
316	K	96.2	Very high	94.9	Very high	47 Å²	47	57.3 Å²	57.3	20%	0.204	30%	0.3	C	S	.	.	H	α-helix	trans	-60.4	-40.3	176.6	-73.1	-167.1	-71.2	170.8	0	112.9	F312 E313 H318 W326	F312-K316 HydrophobicContact CD1-CD 4.15Å; F312-K316 HydrophobicContact CD1-CG 4.31Å; F312-K316 HydrophobicContact CD2-CG 4.34Å; F312-K316 HydrophobicContact CE1-CD 3.49Å; F312-K316 VanDerWaalsContact CE1-CD 3.49Å; F312-K316 HydrophobicContact CE1-CG 3.87Å; F312-K316 HydrophobicContact CE2-CD 4.37Å; F312-K316 HydrophobicContact CE2-CG 3.88Å; F312-K316 HydrophobicContact CZ-CD 3.62Å; F312-K316 HydrophobicContact CZ-CG 3.63Å; F312-K316 PolarHBondContact O-N 3.06Å; E313-K316 PolarHBondContact O-N 3.02Å; E313-K316 WeakPolarHBondContact OE1-CE 3.34Å; E313-K316 IonicContact OE1-NZ 2.73Å; E313-K316 PolarHBondContact OE1-NZ 2.89Å; E313-K316 WeakPolarHBondContact OE2-CE 3.42Å; E313-K316 IonicContact OE2-NZ 2.63Å; E313-K316 PolarHBondContact OE2-NZ 3.41Å; K316-H318 PolarHBondContact O-N 2.98Å; K316-W326 HydrophobicContact CB-CD2 4.38Å; K316-W326 HydrophobicContact CB-CZ2 3.93Å; K316-W326 HydrophobicContact CD-CB 4.46Å; K316-W326 HydrophobicContact CD-CD2 3.68Å; K316-W326 HydrophobicContact CD-CE3 4.06Å; K316-W326 HydrophobicContact CD-CG 3.84Å; K316-W326 HydrophobicContact CG-CD2 3.73Å; K316-W326 HydrophobicContact CG-CE3 4.02Å; K316-W326 HydrophobicContact CG-CG 4.32Å; K316-W326 HydrophobicContact CG-CH2 3.99Å; K316-W326 HydrophobicContact CG-CZ2 3.7Å; K316-W326 HydrophobicContact CG-CZ3 4.14Å
317	N	96.5	Very high	95	Very high	130 Å²	130	62.4 Å²	62.4	70%	0.695	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	1.1	-179.7	-70.5	-53.6	0	0	0	113.9	E313 L315	E313-N317 WeakPolarHBondContact O-CB 3.2Å; E313-N317 PolarHBondContact O-N 3.24Å; E313-N317 PolarHBondContact O-ND2 3.21Å; L315-N317 VanDerWaalsContact C-N 3.32Å; L315-N317 PolarHBondContact O-N 3.42Å
318	H	97.8	Very high	95.1	Very high	25 Å²	25	60.9 Å²	60.9	12%	0.116	33%	0.325	C	S	.	.	S	Bend	trans	-70.7	137	178.5	-168.5	-83.8	0	0	0	111.4	S288 L292 L305 L315 K316 F320 F321	S288-H318 PolarHBondContact O-CE1 2.87Å; L292-H318 VanDerWaalsContact CA-CE1 3.47Å; L292-H318 WeakPolarHBondContact CA-CE1 3.3Å; L292-H318 VanDerWaalsContact CB-CE1 3.47Å; L292-H318 WeakPolarHBondContact CB-CE1 3.47Å; L292-H318 HydrophobicContact CD1-CB 4.46Å; L292-H318 PolarHBondContact N-CE1 3.12Å; L292-H318 PolarHBondContact N-NE2 3.21Å; L305-H318 HydrophobicContact CD2-CB 4.4Å; L315-H318 VanDerWaalsContact O-CB 3.25Å; L315-H318 WeakPolarHBondContact O-CB 3.25Å; L315-H318 PolarHBondContact O-N 3.22Å; K316-H318 PolarHBondContact O-N 2.98Å; H318-F320 PolarHBondContact ND1-N 2.82Å; H318-F320 PolarHBondContact O-N 3.35Å; H318-F321 HydrophobicContact CB-CD2 4.47Å; H318-F321 PolarHBondContact O-N 3.43Å
319	E	97.1	Very high	95.4	Very high	94 Å²	94	60 Å²	60	44%	0.439	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-48.8	-30.4	-176.1	49.2	173.8	164.7	0	0	115.3	S291 F321 N322	S291-E319 WeakPolarHBondContact CB-OE1 3.32Å; S291-E319 PolarHBondContact OG-OE1 2.83Å; E319-F321 VanDerWaalsContact C-N 3.29Å; E319-F321 PolarHBondContact O-N 2.67Å; E319-N322 WeakPolarHBondContact O-CB 3.47Å; E319-N322 PolarHBondContact O-N 3.26Å; E319-N322 PolarHBondContact O-ND2 3.27Å; E319-N322 PolarHBondContact O-OD1 3.12Å
320	F	97.8	Very high	95.8	Very high	2 Å²	2	57 Å²	57	1%	0.009	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-63.9	-29.3	176.4	-175.9	-104.4	0	0	0	113.8	E159 K163 L166 M252 A289 L292 H318	E159-F320 HydrophobicContact CB-CE2 4.35Å; K163-F320 HydrophobicContact CB-CE1 3.81Å; K163-F320 HydrophobicContact CB-CZ 3.89Å; K163-F320 WeakPolarHBondContact CD-O 3.43Å; K163-F320 WeakPolarHBondContact CE-O 3.41Å; K163-F320 HydrophobicContact CG-CD1 4.36Å; K163-F320 HydrophobicContact CG-CE1 4.09Å; K163-F320 HydrophobicContact CG-CZ 4.49Å; K163-F320 WeakPolarHBondContact CG-O 3.48Å; L166-F320 HydrophobicContact CD1-CE1 4.35Å; M252-F320 HydrophobicContact CE-CD1 4.26Å; M252-F320 HydrophobicContact CE-CD2 4.3Å; M252-F320 HydrophobicContact CE-CE1 3.99Å; M252-F320 HydrophobicContact CE-CE2 4.06Å; M252-F320 HydrophobicContact CE-CG 4.4Å; M252-F320 HydrophobicContact CE-CZ 3.89Å; A289-F320 HydrophobicContact CB-CD2 3.84Å; A289-F320 HydrophobicContact CB-CE2 3.73Å; L292-F320 HydrophobicContact CB-CB 4.29Å; L292-F320 HydrophobicContact CD2-CB 3.89Å; L292-F320 HydrophobicContact CD2-CD1 3.41Å; L292-F320 VanDerWaalsContact CD2-CD1 3.41Å; L292-F320 HydrophobicContact CD2-CE1 4.16Å; L292-F320 HydrophobicContact CD2-CG 3.83Å; H318-F320 PolarHBondContact ND1-N 2.82Å; H318-F320 PolarHBondContact O-N 3.35Å
321	F	97.8	Very high	95.8	Very high	1 Å²	1	58.2 Å²	58.2	0%	0.004	30%	0.299	C	S	.	.	G	3₁₀ helix	trans	-100.2	10.8	179.6	-61.8	-70.1	0	0	0	113.4	K163 L166 A167 F248 L292 L315 H318 E319 T323 I324 W326	K163-F321 HydrophobicContact CG-CD1 3.94Å; K163-F321 HydrophobicContact CG-CE1 4.41Å; L166-F321 HydrophobicContact CB-CE1 3.99Å; L166-F321 HydrophobicContact CB-CZ 4.04Å; A167-F321 HydrophobicContact CB-CD1 4.22Å; A167-F321 HydrophobicContact CB-CE1 4.22Å; F248-F321 HydrophobicContact CE1-CZ 4.37Å; F248-F321 HydrophobicContact CZ-CZ 4.15Å; L292-F321 HydrophobicContact CD1-CE2 4.48Å; L292-F321 HydrophobicContact CD2-CD2 4.36Å; L292-F321 HydrophobicContact CD2-CE2 3.54Å; L292-F321 HydrophobicContact CD2-CZ 3.88Å; L315-F321 HydrophobicContact CD2-CE2 4.13Å; L315-F321 HydrophobicContact CG-CE2 4.26Å; L315-F321 WeakPolarHBondContact O-CD2 3.26Å; H318-F321 HydrophobicContact CB-CD2 4.47Å; H318-F321 PolarHBondContact O-N 3.43Å; E319-F321 VanDerWaalsContact C-N 3.29Å; E319-F321 PolarHBondContact O-N 2.67Å; F321-T323 PolarHBondContact O-N 3.38Å; F321-I324 HydrophobicContact CB-CG1 4.42Å; F321-I324 HydrophobicContact CD1-CG1 4.29Å; F321-I324 WeakPolarHBondContact O-CB 3.48Å; F321-I324 PolarHBondContact O-N 3.29Å; F321-W326 HydrophobicContact CB-CZ2 3.71Å; F321-W326 HydrophobicContact CD1-CH2 4.23Å; F321-W326 HydrophobicContact CD1-CZ2 4.15Å; F321-W326 HydrophobicContact CD2-CZ2 4.27Å; F321-W326 HydrophobicContact CG-CH2 4.22Å; F321-W326 AromaticContact CG-CZ2 3.8Å; F321-W326 HydrophobicContact CG-CZ2 3.8Å
322	N	94.1	Very high	95.7	Very high	127 Å²	127	60.2 Å²	60.2	68%	0.679	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	-21.3	-174.8	67.5	-9.9	0	0	0	115.3	E319	E319-N322 WeakPolarHBondContact O-CB 3.47Å; E319-N322 PolarHBondContact O-N 3.26Å; E319-N322 PolarHBondContact O-ND2 3.27Å; E319-N322 PolarHBondContact O-OD1 3.12Å
323	T	94.2	Very high	95.6	Very high	94 Å²	94	63.9 Å²	63.9	58%	0.577	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	0.4	176	62	0	0	0	0	114.2	K163 F321	K163-T323 VanDerWaalsContact CD-OG1 3.31Å; K163-T323 WeakPolarHBondContact CD-OG1 3.4Å; K163-T323 PolarHBondContact NZ-OG1 3.43Å; F321-T323 PolarHBondContact O-N 3.38Å
324	I	95.9	Very high	95.5	Very high	22 Å²	22	62.2 Å²	62.2	11%	0.113	34%	0.339	C	S	.	.			trans	-94	118.2	-178.2	-59.6	-59.9	0	0	0	110.1	K163 A167 F321 W326 L329	K163-I324 HydrophobicContact CD-CD1 4.05Å; K163-I324 HydrophobicContact CD-CG1 4.07Å; K163-I324 HydrophobicContact CG-CD1 4.1Å; K163-I324 HydrophobicContact CG-CG1 4.01Å; A167-I324 HydrophobicContact CB-CG1 4.26Å; A167-I324 HydrophobicContact CB-CG2 4.06Å; F321-I324 HydrophobicContact CB-CG1 4.42Å; F321-I324 HydrophobicContact CD1-CG1 4.29Å; F321-I324 WeakPolarHBondContact O-CB 3.48Å; F321-I324 PolarHBondContact O-N 3.29Å; I324-W326 HydrophobicContact CG2-CD2 4.04Å; I324-W326 HydrophobicContact CG2-CE3 4.48Å; I324-W326 HydrophobicContact CG2-CG 4.26Å; I324-W326 HydrophobicContact CG2-CZ2 4.48Å; I324-W326 PolarHBondContact O-N 3.08Å; I324-L329 HydrophobicContact CG2-CD2 3.93Å
325	N	96.5	Very high	95.3	Very high	70 Å²	70	64.8 Å²	64.8	37%	0.374	35%	0.351	S	S	.	.			trans	-81.2	109.3	159.1	-176.1	-7.1	0	0	0	108.6	D327 D328 L329	N325-D327 VanDerWaalsContact C-N 3.33Å; N325-D327 PolarHBondContact O-N 3.04Å; N325-D327 PolarHBondContact OD1-N 3.16Å; N325-D327 VanDerWaalsContact OD1-N 3.15Å; N325-D328 HydrophobicContact CB-CB 3.97Å; N325-D328 PolarHBondContact ND2-OD2 3.1Å; N325-L329 WeakPolarHBondContact O-CB 3.47Å; N325-L329 PolarHBondContact O-N 3.41Å
326	W	96.8	Very high	95.1	Very high	32 Å²	32	65.2 Å²	65.2	12%	0.121	35%	0.354	C	S	.	.	H	α-helix	trans	-67.8	-31	-175.4	-65.6	89.1	0	0	0	113.3	A167 A170 L171 F312 K316 F321 I324 L330	A167-W326 HydrophobicContact CB-CH2 3.82Å; A167-W326 HydrophobicContact CB-CZ3 3.81Å; A170-W326 HydrophobicContact CB-CH2 4.47Å; A170-W326 HydrophobicContact CB-CZ3 4.36Å; L171-W326 HydrophobicContact CD1-CE3 4.14Å; L171-W326 HydrophobicContact CD2-CE3 4.13Å; L171-W326 HydrophobicContact CG-CE3 3.93Å; L171-W326 HydrophobicContact CG-CZ3 4.15Å; F312-W326 HydrophobicContact CE2-CZ3 4.32Å; F312-W326 HydrophobicContact CZ-CE3 4.32Å; F312-W326 HydrophobicContact CZ-CZ3 4.21Å; K316-W326 HydrophobicContact CB-CD2 4.38Å; K316-W326 HydrophobicContact CB-CZ2 3.93Å; K316-W326 HydrophobicContact CD-CB 4.46Å; K316-W326 HydrophobicContact CD-CD2 3.68Å; K316-W326 HydrophobicContact CD-CE3 4.06Å; K316-W326 HydrophobicContact CD-CG 3.84Å; K316-W326 HydrophobicContact CG-CD2 3.73Å; K316-W326 HydrophobicContact CG-CE3 4.02Å; K316-W326 HydrophobicContact CG-CG 4.32Å; K316-W326 HydrophobicContact CG-CH2 3.99Å; K316-W326 HydrophobicContact CG-CZ2 3.7Å; K316-W326 HydrophobicContact CG-CZ3 4.14Å; F321-W326 HydrophobicContact CB-CZ2 3.71Å; F321-W326 HydrophobicContact CD1-CH2 4.23Å; F321-W326 HydrophobicContact CD1-CZ2 4.15Å; F321-W326 HydrophobicContact CD2-CZ2 4.27Å; F321-W326 HydrophobicContact CG-CH2 4.22Å; F321-W326 AromaticContact CG-CZ2 3.8Å; F321-W326 HydrophobicContact CG-CZ2 3.8Å; I324-W326 HydrophobicContact CG2-CD2 4.04Å; I324-W326 HydrophobicContact CG2-CE3 4.48Å; I324-W326 HydrophobicContact CG2-CG 4.26Å; I324-W326 HydrophobicContact CG2-CZ2 4.48Å; I324-W326 PolarHBondContact O-N 3.08Å; W326-L330 WeakPolarHBondContact O-CB 3.42Å; W326-L330 PolarHBondContact O-N 2.94Å
327	D	95.9	Very high	94.8	Very high	110 Å²	110	65.1 Å²	65.1	59%	0.588	36%	0.358	S	S	*	.	H	α-helix	trans	-75.7	-44.2	178.1	-65.7	-40.7	0	0	0	110.9	N325 L329 L330 N331	N325-D327 VanDerWaalsContact C-N 3.33Å; N325-D327 PolarHBondContact O-N 3.04Å; N325-D327 PolarHBondContact OD1-N 3.16Å; N325-D327 VanDerWaalsContact OD1-N 3.15Å; D327-L329 VanDerWaalsContact C-N 3.27Å; D327-L329 PolarHBondContact O-N 3.31Å; D327-L330 PolarHBondContact O-N 2.87Å; D327-N331 WeakPolarHBondContact O-CB 3.23Å; D327-N331 PolarHBondContact O-N 3.12Å; D327-N331 PolarHBondContact O-ND2 2.93Å
328	D	96.1	Very high	94.4	Very high	71 Å²	71	60 Å²	60	38%	0.38	33%	0.33	S	S	.	.	H	α-helix	trans	-61.8	-37.8	173.3	-73.8	-19.1	0	0	0	111.2	N325 G332 C333 I334	N325-D328 HydrophobicContact CB-CB 3.97Å; N325-D328 PolarHBondContact ND2-OD2 3.1Å; D328-G332 PolarHBondContact O-N 3.36Å; D328-C333 HydrophobicContact CB-CB 3.96Å; D328-C333 WeakPolarHBondContact O-CA 3.4Å; D328-C333 WeakPolarHBondContact O-CB 3.16Å; D328-C333 PolarHBondContact O-N 3.46Å; D328-I334 HydrophobicContact CB-CD1 4.13Å; D328-I334 HydrophobicContact CB-CG1 3.84Å
329	L	95.9	Very high	94.1	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	35%	0.35	C	S	.	.	H	α-helix	trans	-61.8	-56.4	175.4	-171.8	63	0	0	0	110.3	Y121 F164 A167 E168 L171 I324 N325 D327 N331 G332 I334	Y121-L329 WeakPolarHBondContact OH-CG 3.23Å; Y121-L329 PolarHBondContact OH-O 3.33Å; F164-L329 HydrophobicContact CD2-CD1 4.2Å; F164-L329 HydrophobicContact CE2-CD1 3.7Å; F164-L329 HydrophobicContact CZ-CD1 4.19Å; A167-L329 HydrophobicContact CB-CD2 3.36Å; E168-L329 HydrophobicContact CG-CD1 3.84Å; E168-L329 HydrophobicContact CG-CD2 4.18Å; E168-L329 HydrophobicContact CG-CG 4.18Å; L171-L329 HydrophobicContact CD1-CB 4.49Å; L171-L329 HydrophobicContact CD1-CD2 3.93Å; L171-L329 HydrophobicContact CD1-CG 4.19Å; I324-L329 HydrophobicContact CG2-CD2 3.93Å; N325-L329 WeakPolarHBondContact O-CB 3.47Å; N325-L329 PolarHBondContact O-N 3.41Å; D327-L329 VanDerWaalsContact C-N 3.27Å; D327-L329 PolarHBondContact O-N 3.31Å; L329-N331 PolarHBondContact O-N 3.04Å; L329-G332 PolarHBondContact O-N 3.33Å; L329-I334 HydrophobicContact CB-CD1 3.96Å; L329-I334 HydrophobicContact CD1-CB 4.22Å; L329-I334 HydrophobicContact CD1-CD1 4.27Å
330	L	94.7	Very high	93.5	Very high	64 Å²	64	60.4 Å²	60.4	34%	0.335	33%	0.33	S	S	.	.	H	α-helix	trans	-58.6	-33.5	-177.9	-175.7	64.4	0	0	0	113.2	P120 L171 W326 D327 G332	P120-L330 HydrophobicContact CG-CD1 3.7Å; L171-L330 HydrophobicContact CD1-CB 4.2Å; L171-L330 HydrophobicContact CD1-CD1 4.35Å; W326-L330 WeakPolarHBondContact O-CB 3.42Å; W326-L330 PolarHBondContact O-N 2.94Å; D327-L330 PolarHBondContact O-N 2.87Å; L330-G332 VanDerWaalsContact C-N 3.3Å
331	N	93.6	Very high	92.6	Very high	123 Å²	123	63.6 Å²	63.6	66%	0.658	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-1.2	176.2	-71.3	-65.8	0	0	0	114.1	D327 L329 C333	D327-N331 WeakPolarHBondContact O-CB 3.23Å; D327-N331 PolarHBondContact O-N 3.12Å; D327-N331 PolarHBondContact O-ND2 2.93Å; L329-N331 PolarHBondContact O-N 3.04Å; N331-C333 VanDerWaalsContact C-N 3.34Å
332	G	90	Very high	91.5	Very high	43 Å²	43	65.8 Å²	65.8	44%	0.443	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.5	17.6	-179.8	0	0	0	0	0	114.6	D328 L329 L330	D328-G332 PolarHBondContact O-N 3.36Å; L329-G332 PolarHBondContact O-N 3.33Å; L330-G332 VanDerWaalsContact C-N 3.3Å
333	C	92.5	Very high	90.1	Very high	90 Å²	90	64.8 Å²	64.8	61%	0.608	37%	0.369	S	S	*	.			trans	-78.2	-18.3	-179.3	-59.6	0	0	0	0	113.2	D328 N331	D328-C333 HydrophobicContact CB-CB 3.96Å; D328-C333 WeakPolarHBondContact O-CA 3.4Å; D328-C333 WeakPolarHBondContact O-CB 3.16Å; D328-C333 PolarHBondContact O-N 3.46Å; N331-C333 VanDerWaalsContact C-N 3.34Å
334	I	92.8	Very high	88.7	Confident	46 Å²	46	63 Å²	63	24%	0.236	36%	0.361	C	S	.	.	S	Bend	trans	-92.9	119	178.4	-53.2	-173.2	0	0	0	109.9	F164 H198 D328 L329	F164-I334 HydrophobicContact CD2-CG2 4.09Å; F164-I334 HydrophobicContact CE2-CB 4.22Å; F164-I334 HydrophobicContact CE2-CG2 3.77Å; H198-I334 PolarHBondContact CE1-O 3.33Å; H198-I334 VanDerWaalsContact CE1-O 3.32Å; D328-I334 HydrophobicContact CB-CD1 4.13Å; D328-I334 HydrophobicContact CB-CG1 3.84Å; L329-I334 HydrophobicContact CB-CD1 3.96Å; L329-I334 HydrophobicContact CD1-CB 4.22Å; L329-I334 HydrophobicContact CD1-CD1 4.27Å
335	Q	91.9	Very high	87	Confident	168 Å²	168	67.3 Å²	67.3	79%	0.785	38%	0.382	S	S	*	.	P	Polyproline II helix	trans	-66.5	133	178.5	-173.5	-174.9	-29.6	0	0	111.7
336	P	92.9	Very high	85.2	Confident	10 Å²	10	66.1 Å²	66.1	7%	0.065	38%	0.376	C	S	.	.	P	Polyproline II helix	trans	-60.9	147.8	174	-25.6	35.3	0	0	0	113.8	F164 H198 F338	F164-P336 HydrophobicContact CE1-CB 3.93Å; F164-P336 HydrophobicContact CE1-CG 4.21Å; F164-P336 HydrophobicContact CZ-CB 3.97Å; F164-P336 HydrophobicContact CZ-CG 3.9Å; H198-P336 WeakPolarHBondContact NE2-CD 3.28Å; H198-P336 WeakPolarHBondContact NE2-CG 3.42Å; P336-F338 PolarHBondContact O-N 3.25Å
337	P	90.8	Very high	83.7	Confident	44 Å²	44	65.6 Å²	65.6	29%	0.286	38%	0.375	S	S	.	.	S	Bend	trans	-67.4	-19.1	179.8	28.9	-36.9	0	0	0	113.3	D161 F164 Y165	D161-P337 HydrophobicContact CB-CG 4.34Å; F164-P337 HydrophobicContact CB-CG 4.36Å; F164-P337 HydrophobicContact CD1-CG 4.14Å; F164-P337 HydrophobicContact CG-CG 4.32Å; Y165-P337 HydrophobicContact CE2-CG 4.11Å
338	F	88.3	Confident	82.7	Confident	24 Å²	24	61.9 Å²	61.9	11%	0.105	36%	0.356	C	S	.	.			trans	-140.3	123	-179	166.8	-99.9	0	0	0	110.3	R150 L193 G197 P336 P340 A457	R150-F338 HydrophobicContact CG-CE1 4.41Å; L193-F338 HydrophobicContact CD1-CD1 4.26Å; L193-F338 HydrophobicContact CD1-CE1 4.3Å; G197-F338 WeakPolarHBondContact CA-O 3.25Å; P336-F338 PolarHBondContact O-N 3.25Å; F338-P340 HydrophobicContact CD1-CG 4.16Å; F338-P340 HydrophobicContact CE1-CB 4Å; F338-P340 HydrophobicContact CE1-CG 3.74Å; F338-P340 HydrophobicContact CZ-CB 4.43Å; F338-A457 HydrophobicContact CD2-CB 4.02Å
339	K	89.5	Confident	81.8	Confident	122 Å²	122	62.7 Å²	62.7	53%	0.53	36%	0.359	S	S	.	.			trans	-96.4	118	169.5	-176.4	153.2	-177.6	152.6	0	110.1	E195 D196	E195-K339 VanDerWaalsContact O-CE 3.31Å; E195-K339 WeakPolarHBondContact O-CE 3.43Å; D196-K339 IonicContact OD1-NZ 2.7Å; D196-K339 PolarHBondContact OD1-NZ 3.4Å
340	P	85.2	Confident	81	Confident	4 Å²	4	63.1 Å²	63.1	3%	0.026	36%	0.361	C	S	.	.			trans	-60.3	145.6	-179.4	-24	33.4	0	0	0	112.9	L193 N194 F338 C342	L193-P340 HydrophobicContact CB-CG 4.32Å; L193-P340 HydrophobicContact CD1-CG 4.48Å; N194-P340 WeakPolarHBondContact O-CG 3.23Å; F338-P340 HydrophobicContact CD1-CG 4.16Å; F338-P340 HydrophobicContact CE1-CB 4Å; F338-P340 HydrophobicContact CE1-CG 3.74Å; F338-P340 HydrophobicContact CZ-CB 4.43Å; P340-C342 PolarHBondContact O-N 3.13Å
341	P	79.6	Confident	80.4	Confident	70 Å²	70	61.5 Å²	61.5	46%	0.455	35%	0.352	S	S	.	.			trans	-69.6	104.3	176.2	28.3	-33.2	0	0	0	110.4	N350	P341-N350 WeakPolarHBondContact CD-OD1 3.24Å; P341-N350 WeakPolarHBondContact CG-OD1 3.31Å; P341-N350 PolarHBondContact O-ND2 3.35Å; P341-N350 VanDerWaalsContact O-ND2 3.14Å
342	C	74.8	Confident	79.4	Confident	47 Å²	47	59.3 Å²	59.3	32%	0.318	34%	0.34	S	S	.	.			trans	-126.6	109.8	174.9	-58	0	0	0	0	108	P340	P340-C342 PolarHBondContact O-N 3.13Å
343	S	64.4	Low	78.7	Confident	106 Å²	106	61.3 Å²	61.3	74%	0.741	35%	0.347	S	S	*	.			trans	-108.9	-29.5	-175.7	73.5	0	0	0	0	113.9	D347	S343-D347 VanDerWaalsContact CA-OD2 3.28Å; S343-D347 WeakPolarHBondContact CA-OD2 3.44Å; S343-D347 WeakPolarHBondContact CB-OD2 3.07Å; S343-D347 PolarHBondContact N-OD2 2.86Å; S343-D347 PolarHBondContact OG-OD2 2.87Å
344	S	64.6	Low	77.9	Confident	57 Å²	57	59.2 Å²	59.2	40%	0.399	33%	0.329	S	S	.	.	S	Bend	trans	-128.7	159.6	174.1	95.8	0	0	0	0	112.5	N346 D347	S344-N346 PolarHBondContact O-N 3.48Å; S344-N346 VanDerWaalsContact O-N 3.12Å; S344-N346 PolarHBondContact OG-N 2.94Å; S344-D347 WeakPolarHBondContact CB-OD1 3.28Å; S344-D347 PolarHBondContact N-OD1 2.85Å; S344-D347 PolarHBondContact N-OD2 3.36Å; S344-D347 WeakPolarHBondContact O-CB 3.37Å; S344-D347 PolarHBondContact O-N 2.9Å; S344-D347 PolarHBondContact OG-OD1 3.02Å
345	I	61	Low	77.1	Confident	111 Å²	111	59.3 Å²	59.3	57%	0.569	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.7	-179.1	-157.1	173.7	0	0	0	113.2	L88 R143	L88-I345 WeakPolarHBondContact CD1-O 3.38Å; R143-I345 PolarHBondContact NE-O 3.46Å; R143-I345 PolarHBondContact NH2-O 3.41Å
346	N	57.3	Low	76.6	Confident	45 Å²	45	52.3 Å²	52.3	24%	0.241	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104	13.3	-179	-75.7	-7.9	0	0	0	112.6	R78 S344 I348	R78-N346 PolarHBondContact NH2-ND2 3.35Å; R78-N346 PolarHBondContact NH2-OD1 3.11Å; S344-N346 PolarHBondContact O-N 3.48Å; S344-N346 VanDerWaalsContact O-N 3.12Å; S344-N346 PolarHBondContact OG-N 2.94Å; N346-I348 PolarHBondContact O-N 2.85Å
347	D	66.1	Low	76	Confident	21 Å²	21	55.6 Å²	55.6	11%	0.112	32%	0.319	C	S	.	.			trans	-65	124.3	-172.5	-87	10.1	0	0	0	113	S343 S344	S343-D347 VanDerWaalsContact CA-OD2 3.28Å; S343-D347 WeakPolarHBondContact CA-OD2 3.44Å; S343-D347 WeakPolarHBondContact CB-OD2 3.07Å; S343-D347 PolarHBondContact N-OD2 2.86Å; S343-D347 PolarHBondContact OG-OD2 2.87Å; S344-D347 WeakPolarHBondContact CB-OD1 3.28Å; S344-D347 PolarHBondContact N-OD1 2.85Å; S344-D347 PolarHBondContact N-OD2 3.36Å; S344-D347 WeakPolarHBondContact O-CB 3.37Å; S344-D347 PolarHBondContact O-N 2.9Å; S344-D347 PolarHBondContact OG-OD1 3.02Å
348	I	74.5	Confident	75.6	Confident	33 Å²	33	56.7 Å²	56.7	17%	0.169	32%	0.317	C	S	.	.			trans	-108.1	13.1	177.6	45.8	159.4	0	0	0	111.9	Y64 L76 N346 N350 F351 T356	Y64-I348 HydrophobicContact CD1-CD1 3.77Å; Y64-I348 HydrophobicContact CD2-CD1 4.38Å; Y64-I348 HydrophobicContact CD2-CG2 3.85Å; Y64-I348 HydrophobicContact CE1-CD1 3.62Å; Y64-I348 HydrophobicContact CE2-CD1 4.24Å; Y64-I348 HydrophobicContact CE2-CG2 4.26Å; Y64-I348 HydrophobicContact CG-CD1 4.15Å; Y64-I348 HydrophobicContact CG-CG2 4.17Å; L76-I348 HydrophobicContact CD2-CG2 3.98Å; N346-I348 PolarHBondContact O-N 2.85Å; I348-N350 PolarHBondContact O-N 2.82Å; I348-N350 VanDerWaalsContact O-N 3.14Å; I348-F351 PolarHBondContact O-N 3.42Å; I348-T356 HydrophobicContact CB-CG2 4.09Å; I348-T356 HydrophobicContact CD1-CG2 4.14Å; I348-T356 HydrophobicContact CG2-CG2 4.39Å
349	L	77.9	Confident	75.2	Confident	87 Å²	87	61.1 Å²	61.1	46%	0.455	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-25	-174.8	-65.8	173.9	0	0	0	114
350	N	79.3	Confident	74.9	Confident	10 Å²	10	57.2 Å²	57.2	5%	0.053	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91	-5.2	178.9	-58	-49.3	0	0	0	113.5	R143 G144 P341 I348	R143-N350 WeakPolarHBondContact O-CB 3.43Å; R143-N350 PolarHBondContact O-ND2 3.37Å; G144-N350 WeakPolarHBondContact O-CB 3.37Å; P341-N350 WeakPolarHBondContact CD-OD1 3.24Å; P341-N350 WeakPolarHBondContact CG-OD1 3.31Å; P341-N350 PolarHBondContact O-ND2 3.35Å; P341-N350 VanDerWaalsContact O-ND2 3.14Å; I348-N350 PolarHBondContact O-N 2.82Å; I348-N350 VanDerWaalsContact O-N 3.14Å
351	F	80.4	Confident	74.8	Confident	30 Å²	30	62.3 Å²	62.3	13%	0.132	36%	0.357	C	S	.	.	S	Bend	trans	-101.3	150.9	178.3	-63.9	-91.9	0	0	0	110.9	I66 F141 L142 I348 S353 T356	I66-F351 HydrophobicContact CB-CD1 3.78Å; I66-F351 HydrophobicContact CB-CE1 4.12Å; I66-F351 HydrophobicContact CB-CG 4.32Å; I66-F351 HydrophobicContact CD1-CE1 4.17Å; I66-F351 HydrophobicContact CG2-CD1 4.23Å; I66-F351 HydrophobicContact CG2-CG 4.33Å; F141-F351 HydrophobicContact CD2-CZ 4.28Å; F141-F351 HydrophobicContact CE2-CE1 4.16Å; F141-F351 AromaticContact CE2-CE2 3.59Å; F141-F351 HydrophobicContact CE2-CE2 3.59Å; F141-F351 AromaticContact CE2-CZ 3.32Å; F141-F351 HydrophobicContact CE2-CZ 3.32Å; F141-F351 HydrophobicContact CZ-CD2 4.43Å; F141-F351 AromaticContact CZ-CE2 3.51Å; F141-F351 HydrophobicContact CZ-CE2 3.51Å; F141-F351 AromaticContact CZ-CZ 3.77Å; F141-F351 HydrophobicContact CZ-CZ 3.77Å; L142-F351 VanDerWaalsContact O-CZ 3.3Å; L142-F351 WeakPolarHBondContact O-CZ 3.41Å; I348-F351 PolarHBondContact O-N 3.42Å; F351-S353 PolarHBondContact O-N 2.92Å; F351-T356 HydrophobicContact CB-CG2 3.77Å
352	D	74.6	Confident	74.8	Confident	77 Å²	77	60.6 Å²	60.6	41%	0.412	34%	0.344	S	S	.	.			trans	-65.5	124.9	-177.5	-165.1	-21.8	0	0	0	111.7	E354 Y355 T356	D352-E354 PolarHBondContact O-N 3.12Å; D352-E354 PolarHBondContact OD1-N 2.81Å; D352-Y355 HydrophobicContact CB-CD2 3.85Å; D352-Y355 HydrophobicContact CB-CE2 4.02Å; D352-Y355 PolarHBondContact O-N 3.08Å; D352-T356 PolarHBondContact O-N 3.03Å; D352-T356 VanDerWaalsContact O-N 3.12Å
353	S	74.7	Confident	75	Confident	85 Å²	85	60 Å²	60	59%	0.594	34%	0.339	S	S	*	.	H	α-helix	trans	-48.5	-27.9	169.2	68	0	0	0	0	113.3	F351 Y355 T356 S357	F351-S353 PolarHBondContact O-N 2.92Å; S353-Y355 VanDerWaalsContact C-N 3.27Å; S353-Y355 PolarHBondContact O-N 3.33Å; S353-T356 WeakPolarHBondContact CA-OG1 3.32Å; S353-S357 WeakPolarHBondContact O-CB 3.33Å; S353-S357 PolarHBondContact O-N 2.71Å; S353-S357 VanDerWaalsContact O-N 3.12Å; S353-S357 PolarHBondContact O-OG 2.73Å
354	E	75	Confident	75.4	Confident	47 Å²	47	60.2 Å²	60.2	22%	0.22	34%	0.339	C	S	.	.	H	α-helix	trans	-53.9	-44.2	173.1	166.7	163.4	-157.6	0	0	111.9	D352 R358 K773	D352-E354 PolarHBondContact O-N 3.12Å; D352-E354 PolarHBondContact OD1-N 2.81Å; E354-R358 VanDerWaalsContact O-CG 3.3Å; E354-R358 WeakPolarHBondContact O-CG 3.44Å; E354-R358 PolarHBondContact O-NE 2.64Å; E354-R358 IonicContact OE1-CZ 3.97Å; E354-R358 IonicContact OE1-NH2 2.74Å; E354-R358 PolarHBondContact OE1-NH2 3.5Å; E354-K773 HydrophobicContact CG-CD 3.88Å; E354-K773 HydrophobicContact CG-CG 4.12Å; E354-K773 PolarHBondContact O-NZ 2.73Å; E354-K773 WeakPolarHBondContact OE1-CG 3.38Å
355	Y	77.1	Confident	75.5	Confident	47 Å²	47	59.1 Å²	59.1	18%	0.184	33%	0.33	C	S	.	.	H	α-helix	trans	-87.1	-46.7	-178.4	-53.4	-66.4	0	0	0	110.4	V65 Q68 D352 S353 S357 R358	V65-Y355 CarbonylContact O-C 3.54Å; V65-Y355 VanDerWaalsContact O-CB 3.25Å; V65-Y355 WeakPolarHBondContact O-CB 3.24Å; Q68-Y355 HydrophobicContact CB-CD1 4.03Å; Q68-Y355 HydrophobicContact CB-CE1 3.79Å; D352-Y355 HydrophobicContact CB-CD2 3.85Å; D352-Y355 HydrophobicContact CB-CE2 4.02Å; D352-Y355 PolarHBondContact O-N 3.08Å; S353-Y355 VanDerWaalsContact C-N 3.27Å; S353-Y355 PolarHBondContact O-N 3.33Å; Y355-S357 VanDerWaalsContact C-N 3.25Å; Y355-S357 PolarHBondContact O-N 2.99Å; Y355-R358 VanDerWaalsContact O-CB 3.23Å; Y355-R358 WeakPolarHBondContact O-CB 3.38Å; Y355-R358 WeakPolarHBondContact O-CG 3.15Å; Y355-R358 PolarHBondContact O-N 3.19Å
356	T	81.3	Confident	75.8	Confident	21 Å²	21	58.2 Å²	58.2	13%	0.129	33%	0.332	C	S	.	.	H	α-helix	trans	-71.7	-19.2	-169.8	66.1	0	0	0	0	113.8	V65 I66 I348 F351 D352 S353 R358	V65-T356 VanDerWaalsContact O-CA 3.3Å; V65-T356 WeakPolarHBondContact O-CA 3.26Å; V65-T356 PolarHBondContact O-N 3.17Å; V65-T356 VanDerWaalsContact O-N 3.17Å; I66-T356 HydrophobicContact CG2-CG2 4.48Å; I348-T356 HydrophobicContact CB-CG2 4.09Å; I348-T356 HydrophobicContact CD1-CG2 4.14Å; I348-T356 HydrophobicContact CG2-CG2 4.39Å; F351-T356 HydrophobicContact CB-CG2 3.77Å; D352-T356 PolarHBondContact O-N 3.03Å; D352-T356 VanDerWaalsContact O-N 3.12Å; S353-T356 WeakPolarHBondContact CA-OG1 3.32Å; T356-R358 VanDerWaalsContact C-N 3.3Å
357	S	79.8	Confident	76.4	Confident	80 Å²	80	60.2 Å²	60.2	56%	0.559	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-9.7	168.2	58.5	0	0	0	0	114.9	S353 Y355 K773	S353-S357 WeakPolarHBondContact O-CB 3.33Å; S353-S357 PolarHBondContact O-N 2.71Å; S353-S357 VanDerWaalsContact O-N 3.12Å; S353-S357 PolarHBondContact O-OG 2.73Å; Y355-S357 VanDerWaalsContact C-N 3.25Å; Y355-S357 PolarHBondContact O-N 2.99Å; S357-K773 PolarHBondContact OG-NZ 3.19Å
358	R	82.5	Confident	76.5	Confident	67 Å²	67	60.1 Å²	60.1	25%	0.253	35%	0.349	S	S	.	.	S	Bend	trans	-85.3	140.8	-178.2	-55.6	174.4	-176.6	-142.9	-7.1	110.4	V65 E354 Y355 T356	V65-R358 HydrophobicContact CB-CB 4.46Å; V65-R358 HydrophobicContact CG2-CB 4.15Å; E354-R358 VanDerWaalsContact O-CG 3.3Å; E354-R358 WeakPolarHBondContact O-CG 3.44Å; E354-R358 PolarHBondContact O-NE 2.64Å; E354-R358 IonicContact OE1-CZ 3.97Å; E354-R358 IonicContact OE1-NH2 2.74Å; E354-R358 PolarHBondContact OE1-NH2 3.5Å; Y355-R358 VanDerWaalsContact O-CB 3.23Å; Y355-R358 WeakPolarHBondContact O-CB 3.38Å; Y355-R358 WeakPolarHBondContact O-CG 3.15Å; Y355-R358 PolarHBondContact O-N 3.19Å; T356-R358 VanDerWaalsContact C-N 3.3Å
359	T	80.8	Confident	76.4	Confident	117 Å²	117	61.6 Å²	61.6	72%	0.718	36%	0.363	S	S	*	.			trans	-55.7	126.9	173.6	-46.1	0	0	0	0	110.8	H361	T359-H361 VanDerWaalsContact C-N 3.26Å; T359-H361 PolarHBondContact O-N 3.13Å
360	P	81.7	Confident	76	Confident	40 Å²	40	61.6 Å²	61.6	26%	0.26	38%	0.375	S	S	.	.			trans	-77.5	71.9	-174.9	34.7	-39.9	0	0	0	111.4	L62 L63 F75	L62-P360 HydrophobicContact CB-CB 4.19Å; L62-P360 WeakPolarHBondContact CB-O 3.34Å; L63-P360 WeakPolarHBondContact O-CG 3.44Å; F75-P360 HydrophobicContact CD1-CB 4.49Å
361	H	82.9	Confident	75.5	Confident	111 Å²	111	65 Å²	65	51%	0.514	40%	0.4	S	S	.	.			trans	-116.7	122.2	-175.1	-175.1	-80.9	0	0	0	112.7	K73 T359 S363	K73-H361 PolarHBondContact NZ-O 2.97Å; T359-H361 VanDerWaalsContact C-N 3.26Å; T359-H361 PolarHBondContact O-N 3.13Å; H361-S363 PolarHBondContact ND1-N 3.49Å; H361-S363 PolarHBondContact O-N 2.66Å
362	D	81.3	Confident	74.8	Confident	34 Å²	34	63.6 Å²	63.6	18%	0.182	39%	0.394	C	S	.	.			trans	-84	85.1	173.6	-175.2	21.9	0	0	0	111.6	L62 F75 K134 Y136	L62-D362 HydrophobicContact CD1-CB 4.11Å; F75-D362 HydrophobicContact CE2-CB 4.44Å; F75-D362 HydrophobicContact CZ-CB 4.22Å; K134-D362 WeakPolarHBondContact CE-OD1 3.37Å; K134-D362 PolarHBondContact NZ-O 3.45Å; K134-D362 IonicContact NZ-OD1 2.66Å; K134-D362 PolarHBondContact NZ-OD1 3.11Å; K134-D362 IonicContact NZ-OD2 3.26Å; K134-D362 PolarHBondContact NZ-OD2 3.19Å; Y136-D362 PolarHBondContact OH-OD2 3.45Å
363	S	78.7	Confident	74.6	Confident	33 Å²	33	63.5 Å²	63.5	23%	0.231	39%	0.391	C	S	.	.			trans	-47.7	131.4	-178.5	59.9	0	0	0	0	113.1	K95 K134 H361	K95-S363 WeakPolarHBondContact CE-OG 3.35Å; K95-S363 PolarHBondContact NZ-OG 3.27Å; K134-S363 WeakPolarHBondContact CE-O 3.47Å; K134-S363 PolarHBondContact NZ-O 3.26Å; H361-S363 PolarHBondContact ND1-N 3.49Å; H361-S363 PolarHBondContact O-N 2.66Å
364	P	72.2	Confident	74.6	Confident	112 Å²	112	62.5 Å²	62.5	73%	0.727	39%	0.388	S	S	*	.			trans	-50.3	154.5	169.2	-28.5	35.5	0	0	0	113
365	C	66.9	Low	74.7	Confident	33 Å²	33	63.1 Å²	63.1	22%	0.223	39%	0.392	C	S	.	.			trans	-146.3	140	-179.6	-169.4	0	0	0	0	109	K95	K95-C365 HydrophobicContact CD-CB 4.32Å; K95-C365 HydrophobicContact CG-CB 4.3Å
366	P	66.5	Low	74.9	Confident	92 Å²	92	61 Å²	61	60%	0.597	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-55.1	151.3	174.3	-26.1	35.2	0	0	0	112.4
367	P	69.7	Low	74.7	Confident	87 Å²	87	68.9 Å²	68.9	57%	0.565	41%	0.411	S	S	*	.	P	Polyproline II helix	trans	-59.3	147	171.9	27.4	-34.9	0	0	0	110.2	E132	E132-P367 HydrophobicContact CB-CB 4.12Å
368	A	68.8	Low	74.7	Confident	19 Å²	19	71.7 Å²	71.7	16%	0.157	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-79.3	164.3	176.5	0	0	0	0	0	111.4	K96 E132 A372	K96-A368 HydrophobicContact CB-CB 3.58Å; K96-A368 HydrophobicContact CD-CB 4.38Å; E132-A368 PolarHBondContact O-N 3.34Å; A368-A372 HydrophobicContact CB-CB 3.66Å
369	S	72.3	Confident	74.7	Confident	64 Å²	64	68.5 Å²	68.5	45%	0.448	40%	0.404	S	S	.	.	P	Polyproline II helix	trans	-58	152.5	172.6	65.9	0	0	0	0	111.2	S371 A372 H373	S369-S371 PolarHBondContact O-N 2.84Å; S369-S371 VanDerWaalsContact O-N 3.17Å; S369-S371 PolarHBondContact OG-OG 3.41Å; S369-A372 WeakPolarHBondContact O-CA 3.31Å; S369-A372 VanDerWaalsContact O-CB 3.28Å; S369-A372 WeakPolarHBondContact O-CB 3.49Å; S369-A372 PolarHBondContact O-N 3.3Å; S369-A372 WeakPolarHBondContact OG-CB 3.24Å; S369-A372 PolarHBondContact OG-N 2.86Å; S369-H373 PolarHBondContact O-N 3.49Å
370	A	70.2	Confident	74.9	Confident	88 Å²	88	66.5 Å²	66.5	73%	0.727	39%	0.394	S	S	*	.	H	α-helix	trans	-52.9	-40.8	178.1	0	0	0	0	0	112.4	A372 H373 A374	A370-A372 PolarHBondContact O-N 3.18Å; A370-H373 PolarHBondContact O-N 2.73Å; A370-A374 WeakPolarHBondContact O-CB 3.11Å; A370-A374 PolarHBondContact O-N 3.12Å
371	S	68.6	Low	75.1	Confident	82 Å²	82	66.6 Å²	66.6	57%	0.573	39%	0.39	S	S	*	.	H	α-helix	trans	-62.9	-34.4	173.3	54.8	0	0	0	0	114.2	S369	S369-S371 PolarHBondContact O-N 2.84Å; S369-S371 VanDerWaalsContact O-N 3.17Å; S369-S371 PolarHBondContact OG-OG 3.41Å
372	A	64.7	Low	75.1	Confident	0 Å²	0	62.8 Å²	62.8	0%	0	37%	0.374	C	S	.	.	H	α-helix	trans	-71.3	-37.4	173.9	0	0	0	0	0	111.7	R104 A368 S369 A370 F376	R104-A372 VanDerWaalsContact NH1-CB 3.25Å; A368-A372 HydrophobicContact CB-CB 3.66Å; S369-A372 WeakPolarHBondContact O-CA 3.31Å; S369-A372 VanDerWaalsContact O-CB 3.28Å; S369-A372 WeakPolarHBondContact O-CB 3.49Å; S369-A372 PolarHBondContact O-N 3.3Å; S369-A372 WeakPolarHBondContact OG-CB 3.24Å; S369-A372 PolarHBondContact OG-N 2.86Å; A370-A372 PolarHBondContact O-N 3.18Å; A372-F376 WeakPolarHBondContact O-CD2 3.16Å
373	H	72.1	Confident	75	Confident	75 Å²	75	61.6 Å²	61.6	35%	0.347	37%	0.369	S	S	.	.	H	α-helix	trans	-71.1	-42.6	178.2	-162.1	110	0	0	0	111.5	K96 S369 A370 L375 F376	K96-H373 PolarHBondContact NZ-ND1 3Å; S369-H373 PolarHBondContact O-N 3.49Å; A370-H373 PolarHBondContact O-N 2.73Å; H373-L375 VanDerWaalsContact C-N 3.31Å; H373-L375 PolarHBondContact O-N 3.31Å; H373-F376 PolarHBondContact O-N 3.5Å
374	A	74.5	Confident	74.8	Confident	64 Å²	64	64.2 Å²	64.2	53%	0.529	39%	0.386	S	S	.	.	H	α-helix	trans	-59	-36.8	179.4	0	0	0	0	0	113.4	A370 F376 R377	A370-A374 WeakPolarHBondContact O-CB 3.11Å; A370-A374 PolarHBondContact O-N 3.12Å; A374-F376 PolarHBondContact O-N 3.07Å; A374-R377 VanDerWaalsContact O-CB 3.26Å; A374-R377 WeakPolarHBondContact O-CB 3.47Å; A374-R377 PolarHBondContact O-N 2.81Å
375	L	77.4	Confident	74.2	Confident	60 Å²	60	62 Å²	62	31%	0.314	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-26	174.5	-76	169	0	0	0	113.4	V101 R104 L105 K108 H373	V101-L375 HydrophobicContact CG1-CD1 4.41Å; R104-L375 HydrophobicContact CB-CD1 4.3Å; L105-L375 HydrophobicContact CD2-CD2 4.2Å; K108-L375 WeakPolarHBondContact CD-O 3.35Å; H373-L375 VanDerWaalsContact C-N 3.31Å; H373-L375 PolarHBondContact O-N 3.31Å
376	F	79.2	Confident	73.7	Confident	1 Å²	1	62.4 Å²	62.4	0%	0.004	38%	0.381	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.7	13.8	176.3	-63.8	-69.5	0	0	0	113.1	K96 L99 R104 T107 Q130 V135 A372 H373 A374 E378 F379	K96-F376 HydrophobicContact CB-CE2 4.43Å; K96-F376 HydrophobicContact CD-CD2 4.01Å; K96-F376 HydrophobicContact CD-CE2 4.34Å; K96-F376 HydrophobicContact CG-CD2 3.99Å; K96-F376 HydrophobicContact CG-CE2 3.81Å; L99-F376 HydrophobicContact CD1-CZ 4.01Å; R104-F376 HydrophobicContact CB-CE1 4.42Å; R104-F376 HydrophobicContact CB-CE2 4.01Å; R104-F376 HydrophobicContact CB-CZ 3.66Å; R104-F376 HydrophobicContact CG-CE2 3.81Å; R104-F376 HydrophobicContact CG-CZ 3.78Å; T107-F376 HydrophobicContact CG2-CE1 4.35Å; Q130-F376 PolarHBondContact NE2-O 2.99Å; Q130-F376 VanDerWaalsContact OE1-CB 3.25Å; Q130-F376 PolarHBondContact OE1-O 3.34Å; V135-F376 HydrophobicContact CG1-CB 4.47Å; V135-F376 HydrophobicContact CG1-CD1 3.76Å; V135-F376 HydrophobicContact CG1-CD2 4.14Å; V135-F376 HydrophobicContact CG1-CE1 3.91Å; V135-F376 HydrophobicContact CG1-CE2 4.28Å; V135-F376 HydrophobicContact CG1-CG 3.88Å; V135-F376 HydrophobicContact CG1-CZ 4.15Å; V135-F376 HydrophobicContact CG2-CE1 4.46Å; A372-F376 WeakPolarHBondContact O-CD2 3.16Å; H373-F376 PolarHBondContact O-N 3.5Å; A374-F376 PolarHBondContact O-N 3.07Å; F376-E378 PolarHBondContact O-N 3.12Å; F376-F379 HydrophobicContact CB-CB 4.2Å; F376-F379 AromaticContact CD1-CD2 3.82Å; F376-F379 HydrophobicContact CD1-CD2 3.82Å; F376-F379 HydrophobicContact CD1-CE2 4.27Å; F376-F379 HydrophobicContact CD1-CG 4.3Å; F376-F379 HydrophobicContact CE1-CD2 4.44Å; F376-F379 HydrophobicContact CE1-CE2 4.47Å; F376-F379 WeakPolarHBondContact O-CB 3.32Å; F376-F379 PolarHBondContact O-N 3.12Å; F376-F379 VanDerWaalsContact O-N 3.11Å
377	R	77.6	Confident	73	Confident	187 Å²	187	62.8 Å²	62.8	71%	0.706	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	138.7	165	-165.6	177.3	-179.4	170.5	0	108.9	K108 A374 F379	K108-R377 PolarHBondContact NZ-O 3.07Å; K108-R377 VanDerWaalsContact NZ-O 3.1Å; A374-R377 VanDerWaalsContact O-CB 3.26Å; A374-R377 WeakPolarHBondContact O-CB 3.47Å; A374-R377 PolarHBondContact O-N 2.81Å; R377-F379 VanDerWaalsContact C-N 3.27Å; R377-F379 PolarHBondContact O-N 2.58Å
378	E	79.4	Confident	71.3	Confident	140 Å²	140	62.6 Å²	62.6	65%	0.654	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.5	14.9	-174.7	-58.8	151.1	179.2	0	0	115.9	R111 F376 S380	R111-E378 VanDerWaalsContact CZ-O 3.24Å; R111-E378 PolarHBondContact NH1-O 3.25Å; R111-E378 PolarHBondContact NH2-O 2.65Å; F376-E378 PolarHBondContact O-N 3.12Å; E378-S380 VanDerWaalsContact C-N 3.28Å; E378-S380 PolarHBondContact O-N 3.14Å
379	F	83.9	Confident	69.6	Low	0 Å²	0	68.6 Å²	68.6	0%	0	40%	0.404	C	S	.	.			trans	-66.7	-25	179.1	-172.4	-94.9	0	0	0	114.3	T107 R111 A128 F129 Q130 V135 L137 F376 R377	T107-F379 HydrophobicContact CG2-CE2 4.1Å; T107-F379 HydrophobicContact CG2-CZ 4.23Å; R111-F379 HydrophobicContact CB-CD2 4.27Å; R111-F379 HydrophobicContact CB-CE2 3.74Å; R111-F379 HydrophobicContact CB-CZ 4.26Å; R111-F379 HydrophobicContact CG-CD2 4.21Å; R111-F379 HydrophobicContact CG-CE2 3.94Å; R111-F379 HydrophobicContact CG-CZ 4.2Å; R111-F379 VanDerWaalsContact NH1-C 3.3Å; R111-F379 PolarHBondContact NH1-O 2.99Å; A128-F379 HydrophobicContact CB-CD1 4.28Å; A128-F379 HydrophobicContact CB-CE1 3.97Å; A128-F379 WeakPolarHBondContact CB-O 3.38Å; F129-F379 WeakPolarHBondContact O-CE1 3.08Å; Q130-F379 HydrophobicContact CB-CD1 4.36Å; V135-F379 HydrophobicContact CB-CD1 4.3Å; V135-F379 HydrophobicContact CB-CE1 3.72Å; V135-F379 HydrophobicContact CB-CZ 3.85Å; V135-F379 HydrophobicContact CG1-CD1 4.22Å; V135-F379 HydrophobicContact CG1-CE1 4.12Å; V135-F379 HydrophobicContact CG1-CZ 4.33Å; V135-F379 HydrophobicContact CG2-CZ 4.37Å; L137-F379 HydrophobicContact CD2-CE1 4.1Å; L137-F379 HydrophobicContact CD2-CE2 4.41Å; L137-F379 HydrophobicContact CD2-CZ 3.57Å; L137-F379 HydrophobicContact CG-CZ 4.08Å; F376-F379 HydrophobicContact CB-CB 4.2Å; F376-F379 AromaticContact CD1-CD2 3.82Å; F376-F379 HydrophobicContact CD1-CD2 3.82Å; F376-F379 HydrophobicContact CD1-CE2 4.27Å; F376-F379 HydrophobicContact CD1-CG 4.3Å; F376-F379 HydrophobicContact CE1-CD2 4.44Å; F376-F379 HydrophobicContact CE1-CE2 4.47Å; F376-F379 WeakPolarHBondContact O-CB 3.32Å; F376-F379 PolarHBondContact O-N 3.12Å; F376-F379 VanDerWaalsContact O-N 3.11Å; R377-F379 VanDerWaalsContact C-N 3.27Å; R377-F379 PolarHBondContact O-N 2.58Å
380	S	84.3	Confident	67.6	Low	75 Å²	75	75 Å²	75	52%	0.524	43%	0.426	S	S	.	.			trans	-67.7	141.2	-177.4	-55.4	0	0	0	0	112.4	A128 E378	A128-S380 CarbonylContact O-C 3.49Å; A128-S380 VanDerWaalsContact O-CA 3.24Å; A128-S380 WeakPolarHBondContact O-CA 3.22Å; E378-S380 VanDerWaalsContact C-N 3.28Å; E378-S380 PolarHBondContact O-N 3.14Å
381	Y	85.8	Confident	65.6	Low	41 Å²	41	77.6 Å²	77.6	16%	0.161	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	147.2	-177.1	168.3	-99.9	0	0	0	111.4	T115 L125 Y127 A128 A383 P384	T115-Y381 HydrophobicContact CG2-CD1 3.72Å; T115-Y381 HydrophobicContact CG2-CD2 3.47Å; T115-Y381 VanDerWaalsContact CG2-CD2 3.47Å; T115-Y381 HydrophobicContact CG2-CE1 3.78Å; T115-Y381 HydrophobicContact CG2-CE2 3.54Å; T115-Y381 HydrophobicContact CG2-CG 3.54Å; L125-Y381 HydrophobicContact CD2-CD1 4.09Å; L125-Y381 HydrophobicContact CD2-CE1 4.28Å; L125-Y381 HydrophobicContact CG-CD1 4.31Å; L125-Y381 HydrophobicContact CG-CE1 4.31Å; Y127-Y381 WeakPolarHBondContact CA-O 3.47Å; A128-Y381 PolarHBondContact N-O 3.14Å; A128-Y381 PolarHBondContact O-N 2.89Å; Y381-A383 HydrophobicContact CE1-CB 4.08Å; Y381-A383 WeakPolarHBondContact OH-CA 3.39Å; Y381-P384 WeakPolarHBondContact OH-CD 3.44Å
382	V	82.2	Confident	63.8	Low	32 Å²	32	81.7 Å²	81.7	19%	0.194	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	131.1	170.8	-179.9	0	0	0	0	107.4	V55 Y127 F386 F387	V55-V382 HydrophobicContact CG2-CG2 4.43Å; Y127-V382 HydrophobicContact CD1-CB 4.3Å; Y127-V382 HydrophobicContact CD1-CG1 3.98Å; Y127-V382 HydrophobicContact CD1-CG2 4.07Å; Y127-V382 HydrophobicContact CE1-CB 4.49Å; Y127-V382 HydrophobicContact CE1-CG1 3.69Å; Y127-V382 HydrophobicContact CE1-CG2 4.41Å; V382-F386 HydrophobicContact CG1-CD2 4.05Å; V382-F387 HydrophobicContact CB-CE2 4.03Å; V382-F387 HydrophobicContact CB-CZ 4.11Å; V382-F387 HydrophobicContact CG1-CE2 3.7Å; V382-F387 HydrophobicContact CG1-CZ 3.85Å
383	A	79.6	Confident	62.2	Low	8 Å²	8	88.4 Å²	88.4	7%	0.066	48%	0.479	C	S	.	.			trans	-65.5	137.8	-174.8	0	0	0	0	0	113.5	H126 Y381 G385 F386	H126-A383 WeakPolarHBondContact O-CB 3.48Å; H126-A383 PolarHBondContact O-N 2.73Å; Y381-A383 HydrophobicContact CE1-CB 4.08Å; Y381-A383 WeakPolarHBondContact OH-CA 3.39Å; A383-G385 PolarHBondContact O-N 2.6Å; A383-F386 HydrophobicContact CB-CD2 4.12Å; A383-F386 HydrophobicContact CB-CE2 4.06Å; A383-F386 WeakPolarHBondContact O-CD2 3.37Å; A383-F386 PolarHBondContact O-N 2.71Å
384	P	74.3	Confident	60.2	Low	89 Å²	89	91.4 Å²	91.4	58%	0.578	50%	0.498	S	S	*	.	G	3₁₀ helix	trans	-52.4	-31.1	-179	-32	36.9	0	0	0	115.7	Y381 F386 F387	Y381-P384 WeakPolarHBondContact OH-CD 3.44Å; P384-F386 PolarHBondContact O-N 2.57Å; P384-F387 PolarHBondContact O-N 2.95Å
385	G	59.7	Low	58.4	Low	65 Å²	65	97.5 Å²	97.5	67%	0.67	52%	0.515	S	S	*	.	G	3₁₀ helix	trans	-59.3	-18.8	-178.6	0	0	0	0	0	115.2	A383	A383-G385 PolarHBondContact O-N 2.6Å
386	F	58	Low	56.1	Low	42 Å²	42	101.8 Å²	101.8	18%	0.184	54%	0.538	C	S	.	.	G	3₁₀ helix	trans	-81.5	-13.8	175.4	-60.3	-61.4	0	0	0	114	K83 D84 H126 Y127 V382 A383 P384	K83-F386 PolarHBondContact NZ-O 3.36Å; K83-F386 VanDerWaalsContact NZ-O 3.1Å; D84-F386 HydrophobicContact CB-CD1 4.5Å; D84-F386 HydrophobicContact CB-CE1 3.73Å; D84-F386 HydrophobicContact CB-CZ 4.4Å; H126-F386 HydrophobicContact CB-CE2 4.18Å; H126-F386 HydrophobicContact CB-CZ 4.4Å; H126-F386 AromaticContact ND1-CE2 3.83Å; H126-F386 AromaticContact ND1-CZ 3.49Å; H126-F386 WeakPolarHBondContact ND1-CZ 3.42Å; Y127-F386 HydrophobicContact CE1-CD2 4.25Å; Y127-F386 HydrophobicContact CE1-CE2 4.07Å; Y127-F386 AromaticContact CE2-CE2 3.88Å; Y127-F386 HydrophobicContact CE2-CE2 3.88Å; Y127-F386 HydrophobicContact CE2-CZ 4.03Å; Y127-F386 AromaticContact CZ-CE2 3.5Å; Y127-F386 AromaticContact CZ-CZ 3.85Å; Y127-F386 WeakPolarHBondContact OH-CE2 3.32Å; Y127-F386 WeakPolarHBondContact OH-CZ 3.26Å; V382-F386 HydrophobicContact CG1-CD2 4.05Å; A383-F386 HydrophobicContact CB-CD2 4.12Å; A383-F386 HydrophobicContact CB-CE2 4.06Å; A383-F386 WeakPolarHBondContact O-CD2 3.37Å; A383-F386 PolarHBondContact O-N 2.71Å; P384-F386 PolarHBondContact O-N 2.57Å
387	F	50.1	Low	53.9	Low	100 Å²	100	108.3 Å²	108.3	44%	0.439	58%	0.578	S	S	.	*	S	Bend	trans	-99.2	-5.4	-177.9	-58.6	-81.8	0	0	0	113.9	T52 V382 P384 E389	T52-F387 HydrophobicContact CG2-CE1 4.33Å; T52-F387 HydrophobicContact CG2-CZ 4.2Å; V382-F387 HydrophobicContact CB-CE2 4.03Å; V382-F387 HydrophobicContact CB-CZ 4.11Å; V382-F387 HydrophobicContact CG1-CE2 3.7Å; V382-F387 HydrophobicContact CG1-CZ 3.85Å; P384-F387 PolarHBondContact O-N 2.95Å; F387-E389 PolarHBondContact O-N 2.61Å
388	A	34.3	Very low	51.6	Low	82 Å²	82	105.4 Å²	105.4	68%	0.678	58%	0.581	S	S	*	*			trans	-76.9	84.4	179.1	0	0	0	0	0	112
389	E	32.7	Very low	49.3	Very low	146 Å²	146	104.5 Å²	104.5	68%	0.682	59%	0.586	S	S	*	*			trans	-87.5	146	166.7	-81.4	173.8	-161.2	0	0	111.9	K83 F387 N391	K83-E389 WeakPolarHBondContact CE-OE1 3.33Å; K83-E389 IonicContact NZ-OE1 3.16Å; K83-E389 PolarHBondContact NZ-OE1 2.64Å; F387-E389 PolarHBondContact O-N 2.61Å; E389-N391 PolarHBondContact O-N 2.95Å
390	H	31.1	Very low	46.7	Very low	197 Å²	197	109.9 Å²	109.9	91%	0.912	62%	0.619	S	S	*	*			trans	-63.8	101.6	180	-88.5	25.7	0	0	0	111.6
391	N	27.5	Very low	44.3	Very low	144 Å²	144	113.2 Å²	113.2	77%	0.77	63%	0.63	S	S	*	*			trans	-119.9	96	159.4	-104.4	-22.8	0	0	0	109.1	E389	E389-N391 PolarHBondContact O-N 2.95Å
392	N	31.1	Very low	41.7	Very low	168 Å²	168	116.4 Å²	116.4	90%	0.898	66%	0.659	S	S	*	*			trans	-159.8	100.5	144.6	-103.2	-18.8	0	0	0	110.2
393	N	32.3	Very low	39.3	Very low	140 Å²	140	120.8 Å²	120.8	75%	0.749	69%	0.689	S	S	*	*			trans	-67.9	144.3	163.1	-77.1	-51.3	0	0	0	109.9
394	N	29.8	Very low	36.8	Very low	138 Å²	138	127.3 Å²	127.3	74%	0.738	72%	0.723	S	S	*	*			trans	36.8	104.1	148.9	-59.9	-19.5	0	0	0	118.3
395	H	36.5	Very low	35	Very low	193 Å²	193	131.4 Å²	131.4	89%	0.894	74%	0.74	S	S	*	*				-157.8	140.9	115.4	-100.2	-59.8	0	0	0	112.3
396	N	29.8	Very low	33.5	Very low	150 Å²	150	135.7 Å²	135.7	80%	0.802	74%	0.743	S	S	*	*			trans	-76.5	137.6	-179.2	-54.8	-45.1	0	0	0	111.6
397	T	32.6	Very low	32.4	Very low	138 Å²	138	140.5 Å²	140.5	85%	0.847	78%	0.775	S	S	*	*				-170.2	110.1	123	21.9	0	0	0	0	113.8
398	T	28.1	Very low	31.4	Very low	125 Å²	125	141.3 Å²	141.3	77%	0.767	78%	0.784	S	S	*	*			trans	0.3	120.2	145.4	-30.4	0	0	0	0	119.6
399	T	31.1	Very low	31.1	Very low	122 Å²	122	143.9 Å²	143.9	75%	0.748	79%	0.786	S	S	*	*				-178	122.6	103.5	27.1	0	0	0	0	115
400	T	30.5	Very low	31.1	Very low	113 Å²	113	143.5 Å²	143.5	69%	0.693	79%	0.788	S	S	*	*			trans	27.2	134.5	135.8	55.1	0	0	0	0	120.6
401	N	34.1	Very low	31.1	Very low	144 Å²	144	142.4 Å²	142.4	77%	0.77	78%	0.781	S	S	*	*			cis	-163.4	151.1	27.5	-104.2	-19.3	0	0	0	113.6
402	S	31.1	Very low	31.3	Very low	109 Å²	109	143.7 Å²	143.7	76%	0.762	78%	0.782	S	S	*	*			trans	32.4	141.5	142.1	-82.4	0	0	0	0	122.9
403	C	31	Very low	31.3	Very low	123 Å²	123	141.6 Å²	141.6	83%	0.831	78%	0.775	S	S	*	*			cis	-141.4	146.6	21.2	-91.7	0	0	0	0	113.7
404	N	28.2	Very low	31.2	Very low	146 Å²	146	141.9 Å²	141.9	78%	0.781	78%	0.776	S	S	*	*			trans	-84.2	160	167.7	-72.9	-42.7	0	0	0	112.1
405	N	34.9	Very low	31.3	Very low	174 Å²	174	143.2 Å²	143.2	93%	0.93	78%	0.783	S	S	*	*				-154.5	115.4	124.1	-103	-24.4	0	0	0	112
406	H	28.9	Very low	31.1	Very low	155 Å²	155	137 Å²	137	72%	0.718	77%	0.772	S	S	*	*			trans	-118.9	129.9	-177.9	-145.3	-62.7	0	0	0	106.7
407	V	34	Very low	31.2	Very low	143 Å²	143	136 Å²	136	87%	0.867	77%	0.771	S	S	*	*			trans	-138.4	131.8	162.6	-174.5	0	0	0	0	110
408	N	29.9	Very low	31.1	Very low	117 Å²	117	136 Å²	136	63%	0.626	77%	0.765	S	S	*	*			trans	-93.2	142.2	-174.7	-90.8	-33.3	0	0	0	112.8
409	L	29.1	Very low	31.2	Very low	137 Å²	137	135.8 Å²	135.8	72%	0.717	77%	0.765	S	S	*	*				31.6	147.1	128.5	-80.6	140.8	0	0	0	122.4
410	N	32.1	Very low	31.3	Very low	138 Å²	138	135.7 Å²	135.7	74%	0.738	76%	0.764	S	S	*	*			trans	79.2	150.2	155	-61	-34	0	0	0	117.5
411	K	30.8	Very low	31.1	Very low	173 Å²	173	135.4 Å²	135.4	75%	0.752	77%	0.765	S	S	*	*			cis	-172.5	171.6	-27.2	-154.1	175.2	-174.6	-177.9	0	106
412	E	31.8	Very low	31	Very low	172 Å²	172	136.5 Å²	136.5	80%	0.804	77%	0.77	S	S	*	*			trans	70.8	161.7	166.5	-64.3	172.4	-163.6	0	0	117.2
413	V	31.6	Very low	31	Very low	123 Å²	123	136.3 Å²	136.3	75%	0.745	77%	0.769	S	S	*	*				-163.9	139.6	-51.8	125.4	0	0	0	0	108.2
414	L	29.6	Very low	31.1	Very low	147 Å²	147	135.2 Å²	135.2	77%	0.77	76%	0.763	S	S	*	*			trans	25	142.3	161.5	-73.5	142.4	0	0	0	123.8
415	N	32.8	Very low	31.6	Very low	166 Å²	166	134.5 Å²	134.5	89%	0.888	77%	0.766	S	S	*	*			trans	104.9	135.9	163.6	-55.9	-27.4	0	0	0	114.4
416	G	30.7	Very low	31.5	Very low	63 Å²	63	135.5 Å²	135.5	65%	0.649	76%	0.762	S	S	*	*			cis	169.1	143.9	-6.9	0	0	0	0	0	112.2
417	T	32.4	Very low	31.8	Very low	129 Å²	129	135.4 Å²	135.4	79%	0.791	76%	0.762	S	S	*	*			trans	63.6	115.1	161.1	50.7	0	0	0	0	122.8
418	N	30.2	Very low	31.7	Very low	136 Å²	136	136.4 Å²	136.4	73%	0.727	76%	0.755	S	S	*	*				96.6	131.7	119.2	-70.8	-3.7	0	0	0	124.4
419	T	31.5	Very low	31.6	Very low	122 Å²	122	139.7 Å²	139.7	75%	0.748	76%	0.764	S	S	*	*			trans	68.2	140.6	145.7	50.3	0	0	0	0	119.1
420	T	31.8	Very low	31.8	Very low	119 Å²	119	140.8 Å²	140.8	73%	0.73	77%	0.77	S	S	*	*			cis	-164.6	158.9	-0.2	14.8	0	0	0	0	111.3
421	C	26.9	Very low	31.6	Very low	108 Å²	108	143.1 Å²	143.1	73%	0.73	77%	0.77	S	S	*	*			trans	18.9	139.3	148	-51	0	0	0	0	119.9
422	L	30.9	Very low	31.8	Very low	166 Å²	166	141.8 Å²	141.8	87%	0.869	77%	0.771	S	S	*	*				-167.3	175.8	53.2	-88.7	104.9	0	0	0	108.1
423	S	33	Very low	31.8	Very low	106 Å²	106	137.8 Å²	137.8	74%	0.741	76%	0.762	S	S	*	*			cis	-168.5	161.7	-15.4	46	0	0	0	0	110.6
424	S	32.8	Very low	31.7	Very low	100 Å²	100	142.2 Å²	142.2	70%	0.699	77%	0.766	S	S	*	*			trans	-93.9	173.5	173.4	60.6	0	0	0	0	114.2
425	P	37.6	Very low	32	Very low	130 Å²	130	142 Å²	142	84%	0.844	76%	0.761	S	S	*	*				-142.7	169.4	112.3	32.7	-15.5	0	0	0	116.9
426	K	32.7	Very low	32	Very low	195 Å²	195	140.1 Å²	140.1	85%	0.848	75%	0.75	S	S	*	*			trans	-110.5	159.8	178.8	-50.9	164.6	175.9	174.7	0	110.8
427	E	35.4	Very low	31.9	Very low	153 Å²	153	144.4 Å²	144.4	72%	0.715	76%	0.758	S	S	*	*			trans	-162.8	156.8	142.6	-74.7	-140.3	158.9	0	0	107.8
428	K	32.6	Very low	32.1	Very low	165 Å²	165	145.6 Å²	145.6	72%	0.717	76%	0.76	S	S	*	*			cis	-155.2	-174.7	-17.2	-113.2	-177.7	-164.7	137.7	0	108.8
429	F	28.5	Very low	31.9	Very low	185 Å²	185	149.9 Å²	149.9	81%	0.811	77%	0.766	S	S	*	*			trans	-124.1	160.9	173	-106.5	-98.2	0	0	0	110.4
430	N	33.3	Very low	31.6	Very low	160 Å²	160	148.7 Å²	148.7	86%	0.856	77%	0.769	S	S	*	*			trans	-155	166.7	140.5	-138.6	-12.4	0	0	0	114
431	Y	27.8	Very low	31.4	Very low	187 Å²	187	150.9 Å²	150.9	73%	0.733	78%	0.776	S	S	*	*			trans	-129.4	177.9	-157.2	-128.4	-98.3	0	0	0	113.9
432	N	34.1	Very low	31.5	Very low	145 Å²	145	151.4 Å²	151.4	78%	0.775	78%	0.778	S	S	*	*			trans	89	148.3	166	-51.9	-36.8	0	0	0	116.7
433	S	31.9	Very low	31.3	Very low	89 Å²	89	147.7 Å²	147.7	62%	0.622	77%	0.771	S	S	*	*			cis	-171.6	132.3	-5.3	143.8	0	0	0	0	114
434	R	30	Very low	31.2	Very low	216 Å²	216	151.4 Å²	151.4	82%	0.815	78%	0.776	S	S	*	*			trans	66.1	150.2	141.1	-61.8	176.1	175.4	172.1	-1.3	125.5
435	H	35.8	Very low	30.8	Very low	143 Å²	143	153.1 Å²	153.1	66%	0.662	78%	0.782	S	S	*	*			trans	100.9	103.9	145.8	-73.9	-60.9	0	0	0	122
436	D	31.3	Very low	30.4	Very low	126 Å²	126	152.1 Å²	152.1	67%	0.674	78%	0.776	S	S	*	*				69.6	136.5	126.7	-52.2	-10.2	0	0	0	124.8
437	D	30.1	Very low	30.2	Very low	152 Å²	152	151.7 Å²	151.7	81%	0.813	78%	0.777	S	S	*	*			trans	38.6	119	152.8	-63.5	-22.9	0	0	0	121
438	D	35.2	Very low	29.9	Very low	155 Å²	155	152 Å²	152	83%	0.829	78%	0.783	S	S	*	*				-168.4	177.1	93.9	-132.8	-36.1	0	0	0	114.2
439	R	26.7	Very low	29.6	Very low	225 Å²	225	151.4 Å²	151.4	85%	0.849	79%	0.787	S	S	*	*			trans	-85.2	143	-167.5	-69	167.1	164.6	151	-5	116.6
440	A	24.6	Very low	29.6	Very low	98 Å²	98	147.7 Å²	147.7	81%	0.81	78%	0.782	S	S	*	*			trans	52.8	112.8	139.7	0	0	0	0	0	121.5
441	N	28.5	Very low	29.4	Very low	164 Å²	164	145.6 Å²	145.6	88%	0.877	78%	0.777	S	S	*	*				-160	147	127	-139	4.3	0	0	0	111.4
442	P	29.7	Very low	29.4	Very low	120 Å²	120	144.7 Å²	144.7	78%	0.779	78%	0.784	S	S	*	*			trans	-105.2	120.1	177.1	34.7	-24.3	0	0	0	112.6
443	A	25	Very low	29.3	Very low	88 Å²	88	142.7 Å²	142.7	73%	0.727	78%	0.777	S	S	*	*			trans	-160.9	157.7	165.3	0	0	0	0	0	113.3
444	H	30.7	Very low	29.3	Very low	183 Å²	183	142.3 Å²	142.3	85%	0.847	77%	0.772	S	S	*	*			trans	68.2	93.9	170.6	-73.8	-73	0	0	0	119.3
445	V	25.9	Very low	29.5	Very low	136 Å²	136	137 Å²	137	82%	0.824	76%	0.764	S	S	*	*			trans	-82.7	131.4	152	178.7	0	0	0	0	108.3
446	P	29.2	Very low	29.2	Very low	109 Å²	109	136 Å²	136	71%	0.708	77%	0.768	S	S	*	*			trans	-77.9	135	164.5	-13.1	29.7	0	0	0	111.2	D448	P446-D448 PolarHBondContact O-N 3.03Å
447	E	27.2	Very low	29.1	Very low	187 Å²	187	132 Å²	132	87%	0.874	75%	0.752	S	S	*	*	S	Bend	trans	-67.8	106.8	162.5	-65.8	169.9	129.9	0	0	108.4
448	D	29.2	Very low	29.3	Very low	158 Å²	158	133.2 Å²	133.2	85%	0.845	75%	0.745	S	S	*	*			trans	168.4	89.1	153.8	-91.8	-24.7	0	0	0	110.3	P446	P446-D448 PolarHBondContact O-N 3.03Å
449	L	27.1	Very low	29.4	Very low	153 Å²	153	136.9 Å²	136.9	80%	0.801	75%	0.748	S	S	*	*			trans	-133.2	123.5	158.4	-100	101.5	0	0	0	109.6
450	P	28.9	Very low	30	Very low	107 Å²	107	131.5 Å²	131.5	70%	0.695	73%	0.731	S	S	*	*			trans	-67.6	152.5	173.8	29.9	-34.5	0	0	0	110.4	L452	P450-L452 PolarHBondContact O-N 3.39Å
451	P	28.3	Very low	31.1	Very low	117 Å²	117	129.2 Å²	129.2	76%	0.76	70%	0.704	S	S	*	*			trans	-60.7	123.3	178.5	25.8	-34	0	0	0	110.2	T453	P451-T453 PolarHBondContact O-N 3.49Å
452	L	28.5	Very low	32.2	Very low	168 Å²	168	128.8 Å²	128.8	88%	0.88	69%	0.691	S	S	*	*			trans	-67.3	109	-179.9	-79.1	166.6	0	0	0	110.2	P450	P450-L452 PolarHBondContact O-N 3.39Å
453	T	30.7	Very low	33.5	Very low	102 Å²	102	123.2 Å²	123.2	63%	0.626	65%	0.654	S	S	*	*	P	Polyproline II helix	trans	-70.7	139.2	-170.4	43.5	0	0	0	0	113.5	P451 T455	P451-T453 PolarHBondContact O-N 3.49Å; T453-T455 PolarHBondContact O-N 3.18Å
454	P	33.1	Very low	34.7	Very low	81 Å²	81	121.5 Å²	121.5	53%	0.526	64%	0.64	S	S	.	*	P	Polyproline II helix	trans	-57.8	119.3	158	-19.9	32.9	0	0	0	108.8
455	T	34.6	Very low	35.9	Very low	105 Å²	105	116.6 Å²	116.6	64%	0.644	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-80.6	132.6	-161.5	-32.7	0	0	0	0	113.2	T453	T453-T455 PolarHBondContact O-N 3.18Å
456	V	29.9	Very low	37.8	Very low	121 Å²	121	111.6 Å²	111.6	73%	0.733	61%	0.607	S	S	*	*	S	Bend	trans	-31.8	128.7	165.1	178.1	0	0	0	0	113.8
457	A	27.9	Very low	39.5	Very low	42 Å²	42	111.7 Å²	111.7	35%	0.347	61%	0.611	S	S	.	*			trans	30.6	85.4	158.8	0	0	0	0	0	117.6	F338 R459	F338-A457 HydrophobicContact CD2-CB 4.02Å; A457-R459 PolarHBondContact O-N 3.04Å
458	R	34.5	Very low	41.6	Very low	178 Å²	178	105.6 Å²	105.6	67%	0.672	60%	0.597	S	S	*	*			trans	-71.4	96.8	168.6	-75.7	177	177	-172.8	2.1	112.2	L461	R458-L461 HydrophobicContact CG-CD2 4.24Å; R458-L461 HydrophobicContact CG-CG 4.23Å
459	R	36.7	Very low	44.1	Very low	233 Å²	233	98.8 Å²	98.8	88%	0.879	56%	0.562	S	S	*	*	S	Bend	trans	-46.9	139.6	133.6	-85	176.5	164.3	158.7	-5.3	107.5	A457 L461	A457-R459 PolarHBondContact O-N 3.04Å; R459-L461 PolarHBondContact O-N 3.11Å
460	F	40.9	Very low	47	Very low	112 Å²	112	94.2 Å²	94.2	49%	0.491	54%	0.535	S	S	.	.	S	Bend	trans	-38	116.4	179	-74.7	-79.2	0	0	0	110.4	R462 D515	F460-R462 PolarHBondContact O-N 3.22Å; F460-D515 HydrophobicContact CD1-CB 4.32Å
461	L	46	Very low	49.8	Very low	49 Å²	49	95 Å²	95	26%	0.257	53%	0.526	S	S	.	.			trans	-54.1	132.5	-171.2	-88.5	179.9	0	0	0	109.4	R458 R459	R458-L461 HydrophobicContact CG-CD2 4.24Å; R458-L461 HydrophobicContact CG-CG 4.23Å; R459-L461 PolarHBondContact O-N 3.11Å
462	R	52.3	Low	52.7	Low	156 Å²	156	93.8 Å²	93.8	59%	0.589	51%	0.508	S	S	*	.			trans	-56	149.9	156.7	-67.5	-179.4	175.2	-176.3	-4.7	108.2	F460 A464 R517 E540	F460-R462 PolarHBondContact O-N 3.22Å; R462-A464 HydrophobicContact CB-CB 3.85Å; R462-A464 PolarHBondContact O-N 2.99Å; R462-R517 PolarHBondContact O-NH1 3.46Å; R462-R517 VanDerWaalsContact O-NH1 3.07Å; R462-E540 VanDerWaalsContact CA-OE1 3.27Å; R462-E540 WeakPolarHBondContact CA-OE1 3.28Å
463	L	56.9	Low	55.6	Low	3 Å²	3	89.7 Å²	89.7	2%	0.016	49%	0.492	C	S	.	.	S	Bend	trans	-66	-0.6	171.3	-59.5	177.2	0	0	0	112.1	G465 L466 V469 R517 V520 V538 E540 V545	L463-G465 PolarHBondContact O-N 3.17Å; L463-L466 HydrophobicContact CB-CD1 4.38Å; L463-L466 HydrophobicContact CD2-CD1 4.15Å; L463-L466 WeakPolarHBondContact O-CB 3.31Å; L463-L466 PolarHBondContact O-N 3.04Å; L463-V469 HydrophobicContact CB-CG1 4.09Å; L463-V469 HydrophobicContact CB-CG2 3.99Å; L463-V469 HydrophobicContact CD1-CG1 4.07Å; L463-V469 HydrophobicContact CD1-CG2 4.21Å; L463-R517 HydrophobicContact CD2-CB 3.9Å; L463-R517 HydrophobicContact CD2-CG 4.1Å; L463-V520 HydrophobicContact CD1-CG2 4.42Å; L463-V538 HydrophobicContact CD1-CG1 3.84Å; L463-E540 WeakPolarHBondContact CB-OE2 3.2Å; L463-E540 HydrophobicContact CD1-CB 4.35Å; L463-E540 PolarHBondContact N-OE2 3Å; L463-V545 HydrophobicContact CD1-CG1 3.9Å; L463-V545 HydrophobicContact CD1-CG2 4.03Å
464	A	51.3	Low	58.5	Low	52 Å²	52	85.7 Å²	85.7	43%	0.43	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-32	125.1	162.7	0	0	0	0	0	112.7	R462 Y471 R517	R462-A464 HydrophobicContact CB-CB 3.85Å; R462-A464 PolarHBondContact O-N 2.99Å; A464-Y471 WeakPolarHBondContact CA-OH 3.39Å; A464-Y471 PolarHBondContact N-OH 2.87Å; A464-R517 PolarHBondContact O-NH1 3.4Å
465	G	55.6	Low	61.4	Low	79 Å²	79	85.1 Å²	85.1	81%	0.814	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.8	-21.3	-173.1	0	0	0	0	0	114.8	L463	L463-G465 PolarHBondContact O-N 3.17Å
466	L	64.9	Low	64.1	Low	31 Å²	31	83.9 Å²	83.9	16%	0.162	46%	0.455	C	S	.	.			trans	-83.2	125.1	172.2	-65.7	174.1	0	0	0	110.6	L463 V469 R517 V520 E521	L463-L466 HydrophobicContact CB-CD1 4.38Å; L463-L466 HydrophobicContact CD2-CD1 4.15Å; L463-L466 WeakPolarHBondContact O-CB 3.31Å; L463-L466 PolarHBondContact O-N 3.04Å; L466-V469 HydrophobicContact CB-CG2 3.93Å; L466-R517 HydrophobicContact CD1-CG 4.13Å; L466-V520 HydrophobicContact CD1-CG1 4.03Å; L466-E521 HydrophobicContact CD2-CB 4.39Å; L466-E521 HydrophobicContact CD2-CG 4.25Å
467	S	64.2	Low	67.2	Low	112 Å²	112	78.9 Å²	78.9	78%	0.783	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.5	145.4	171.3	47.6	0	0	0	0	110.8
468	G	72.2	Confident	70.4	Confident	58 Å²	58	76.9 Å²	76.9	60%	0.598	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	89.1	-9.6	179.1	0	0	0	0	0	116.2
469	V	82.2	Confident	73.3	Confident	16 Å²	16	71 Å²	71	10%	0.097	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	128.4	176.5	-175.2	0	0	0	0	111.4	L463 L466 Y471 V538 E540	L463-V469 HydrophobicContact CB-CG1 4.09Å; L463-V469 HydrophobicContact CB-CG2 3.99Å; L463-V469 HydrophobicContact CD1-CG1 4.07Å; L463-V469 HydrophobicContact CD1-CG2 4.21Å; L466-V469 HydrophobicContact CB-CG2 3.93Å; V469-Y471 HydrophobicContact CG1-CE1 4.32Å; V469-Y471 HydrophobicContact CG1-CE2 4.47Å; V469-V538 HydrophobicContact CG1-CG1 4.3Å; V469-V538 HydrophobicContact CG2-CB 4.21Å; V469-V538 HydrophobicContact CG2-CG1 4.17Å; V469-E540 HydrophobicContact CG1-CB 4.07Å
470	K	88.1	Confident	76.1	Confident	56 Å²	56	63.5 Å²	63.5	24%	0.243	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	134.5	-179.4	-64.9	171.8	172.4	-178	0	111	D477 D537 V538 Y539 E540	K470-D477 IonicContact NZ-OD2 2.72Å; K470-D477 PolarHBondContact NZ-OD2 3.26Å; K470-D537 WeakPolarHBondContact CE-OD1 3.22Å; K470-D537 IonicContact NZ-OD1 3.18Å; K470-D537 PolarHBondContact NZ-OD1 2.7Å; K470-D537 IonicContact NZ-OD2 2.66Å; K470-D537 PolarHBondContact NZ-OD2 3.1Å; K470-V538 WeakPolarHBondContact CB-O 3.37Å; K470-V538 PolarHBondContact N-O 3.43Å; K470-Y539 HydrophobicContact CB-CD1 3.58Å; K470-Y539 HydrophobicContact CB-CE1 3.75Å; K470-Y539 HydrophobicContact CB-CG 4.21Å; K470-Y539 HydrophobicContact CD-CD1 4.09Å; K470-Y539 HydrophobicContact CD-CE1 3.39Å; K470-Y539 HydrophobicContact CD-CE2 4.25Å; K470-Y539 VanDerWaalsContact CD-CZ 3.43Å; K470-Y539 WeakPolarHBondContact CD-OH 3.36Å; K470-Y539 HydrophobicContact CG-CD1 4.5Å; K470-Y539 HydrophobicContact CG-CE1 4.22Å; K470-Y539 PolarHBondContact NZ-OH 3.29Å; K470-Y539 VanDerWaalsContact O-CA 3.23Å; K470-Y539 WeakPolarHBondContact O-CA 3.21Å; K470-E540 PolarHBondContact O-N 3.47Å
471	Y	86.6	Confident	78.6	Confident	125 Å²	125	61.5 Å²	61.5	49%	0.49	36%	0.363	S	S	.	.			trans	-106.5	2.5	179	-58.2	-82.3	0	0	0	114	A464 V469 E540	A464-Y471 WeakPolarHBondContact CA-OH 3.39Å; A464-Y471 PolarHBondContact N-OH 2.87Å; V469-Y471 HydrophobicContact CG1-CE1 4.32Å; V469-Y471 HydrophobicContact CG1-CE2 4.47Å; Y471-E540 HydrophobicContact CD1-CB 4.26Å; Y471-E540 HydrophobicContact CE1-CB 4.13Å
472	K	89.6	Confident	80.9	Confident	90 Å²	90	63.8 Å²	63.8	39%	0.391	37%	0.372	S	S	.	.	S	Bend	trans	-76.5	156.3	168.6	61.2	173.9	174.4	170.2	0	110.2	F474 V476 D477 Y539	K472-F474 PolarHBondContact O-N 3.01Å; K472-V476 HydrophobicContact CD-CG1 4.32Å; K472-D477 WeakPolarHBondContact CE-OD1 3.27Å; K472-D477 WeakPolarHBondContact CE-OD2 3.36Å; K472-D477 IonicContact NZ-OD1 3.73Å; K472-D477 PolarHBondContact NZ-OD1 3.38Å; K472-D477 IonicContact NZ-OD2 2.61Å; K472-D477 PolarHBondContact NZ-OD2 3.01Å; K472-Y539 HydrophobicContact CG-CE1 4.31Å; K472-Y539 WeakPolarHBondContact O-CD1 3.07Å
473	P	89.3	Confident	82.8	Confident	83 Å²	83	61 Å²	61	54%	0.539	37%	0.366	S	S	.	.			trans	-58.9	133.7	177.8	-22.4	32.7	0	0	0	112.1	S475 V476	P473-S475 PolarHBondContact O-N 2.86Å; P473-S475 VanDerWaalsContact O-N 3.14Å; P473-V476 HydrophobicContact CB-CG2 4.19Å; P473-V476 HydrophobicContact CG-CG2 4.41Å; P473-V476 WeakPolarHBondContact O-CB 3.29Å; P473-V476 WeakPolarHBondContact O-CG2 3.3Å; P473-V476 PolarHBondContact O-N 2.97Å
474	F	92.7	Very high	84.2	Confident	18 Å²	18	64.7 Å²	64.7	8%	0.079	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-50.4	-37.5	176.4	165.1	-97.8	0	0	0	112.9	K472 V476 D477 Y478 L480 C495 V506 Y539 Y546 V548	K472-F474 PolarHBondContact O-N 3.01Å; F474-V476 PolarHBondContact O-N 3.29Å; F474-V476 VanDerWaalsContact O-N 3.1Å; F474-D477 PolarHBondContact O-N 3.28Å; F474-D477 VanDerWaalsContact O-N 3.16Å; F474-Y478 HydrophobicContact CD2-CD2 4.07Å; F474-Y478 HydrophobicContact CD2-CG 4.35Å; F474-Y478 VanDerWaalsContact CE2-CB 3.49Å; F474-Y478 HydrophobicContact CE2-CD1 4.5Å; F474-Y478 AromaticContact CE2-CD2 3.78Å; F474-Y478 HydrophobicContact CE2-CD2 3.78Å; F474-Y478 AromaticContact CE2-CG 3.67Å; F474-Y478 HydrophobicContact CE2-CG 3.67Å; F474-Y478 AromaticContact CZ-CG 4Å; F474-Y478 HydrophobicContact CZ-CG 4Å; F474-Y478 PolarHBondContact O-N 2.66Å; F474-L480 HydrophobicContact CE1-CB 4.44Å; F474-L480 HydrophobicContact CE1-CD1 4.08Å; F474-L480 HydrophobicContact CZ-CD1 4.39Å; F474-C495 HydrophobicContact CZ-CB 3.91Å; F474-V506 HydrophobicContact CE2-CB 4.22Å; F474-V506 HydrophobicContact CE2-CG1 4.42Å; F474-V506 HydrophobicContact CE2-CG2 3.86Å; F474-V506 HydrophobicContact CZ-CB 4.19Å; F474-V506 HydrophobicContact CZ-CG1 3.89Å; F474-V506 HydrophobicContact CZ-CG2 4.13Å; F474-Y539 HydrophobicContact CB-CD1 4.47Å; F474-Y539 HydrophobicContact CB-CD2 4.47Å; F474-Y539 HydrophobicContact CB-CG 4.23Å; F474-Y539 AromaticContact CD2-CD2 3.88Å; F474-Y539 HydrophobicContact CD2-CD2 3.88Å; F474-Y539 HydrophobicContact CD2-CE2 4.02Å; F474-Y539 HydrophobicContact CD2-CG 4.47Å; F474-Y546 HydrophobicContact CB-CD1 3.98Å; F474-Y546 HydrophobicContact CB-CD2 4.35Å; F474-Y546 HydrophobicContact CB-CE1 4.19Å; F474-Y546 HydrophobicContact CB-CG 4.08Å; F474-Y546 HydrophobicContact CD1-CD1 4.03Å; F474-Y546 HydrophobicContact CD1-CE1 4.12Å; F474-Y546 HydrophobicContact CD2-CD1 4.09Å; F474-Y546 HydrophobicContact CD2-CG 4.33Å; F474-Y546 AromaticContact CG-CD1 3.76Å; F474-Y546 HydrophobicContact CG-CD1 3.76Å; F474-Y546 HydrophobicContact CG-CE1 4.18Å; F474-Y546 HydrophobicContact CG-CG 4.19Å; F474-V548 HydrophobicContact CD2-CG2 4.2Å; F474-V548 HydrophobicContact CE2-CG2 3.76Å
475	S	92.1	Very high	85.5	Confident	68 Å²	68	66.8 Å²	66.8	48%	0.476	39%	0.389	S	S	.	.	G	3₁₀ helix	trans	-62.1	-14.7	179.9	53.4	0	0	0	0	115.1	P473 Y478 R498	P473-S475 PolarHBondContact O-N 2.86Å; P473-S475 VanDerWaalsContact O-N 3.14Å; S475-Y478 CarbonylContact C-O 3.52Å; S475-Y478 WeakPolarHBondContact CA-O 3.4Å; S475-R498 VanDerWaalsContact O-CZ 3.32Å; S475-R498 PolarHBondContact O-NE 3.15Å; S475-R498 PolarHBondContact O-NH2 3.09Å
476	V	92.9	Very high	86.7	Confident	79 Å²	79	69.6 Å²	69.6	48%	0.479	38%	0.379	S	S	.	.	G	3₁₀ helix	trans	-70.6	-39.5	174.9	177.6	0	0	0	0	111.4	K472 P473 F474 R498	K472-V476 HydrophobicContact CD-CG1 4.32Å; P473-V476 HydrophobicContact CB-CG2 4.19Å; P473-V476 HydrophobicContact CG-CG2 4.41Å; P473-V476 WeakPolarHBondContact O-CB 3.29Å; P473-V476 WeakPolarHBondContact O-CG2 3.3Å; P473-V476 PolarHBondContact O-N 2.97Å; F474-V476 PolarHBondContact O-N 3.29Å; F474-V476 VanDerWaalsContact O-N 3.1Å; V476-R498 WeakPolarHBondContact O-CD 3.12Å
477	D	93.9	Very high	86.9	Confident	16 Å²	16	69.9 Å²	69.9	9%	0.086	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.3	-28.4	-175.2	-70.3	3.2	0	0	0	111.9	K470 K472 F474 H497 R498 Y539	K470-D477 IonicContact NZ-OD2 2.72Å; K470-D477 PolarHBondContact NZ-OD2 3.26Å; K472-D477 WeakPolarHBondContact CE-OD1 3.27Å; K472-D477 WeakPolarHBondContact CE-OD2 3.36Å; K472-D477 IonicContact NZ-OD1 3.73Å; K472-D477 PolarHBondContact NZ-OD1 3.38Å; K472-D477 IonicContact NZ-OD2 2.61Å; K472-D477 PolarHBondContact NZ-OD2 3.01Å; F474-D477 PolarHBondContact O-N 3.28Å; F474-D477 VanDerWaalsContact O-N 3.16Å; D477-H497 PolarHBondContact O-CD2 3.44Å; D477-H497 VanDerWaalsContact O-CD2 3.3Å; D477-R498 PolarHBondContact O-N 3.32Å; D477-Y539 WeakPolarHBondContact CB-OH 3.37Å; D477-Y539 PolarHBondContact OD2-OH 3.17Å
478	Y	96.2	Very high	86.8	Confident	1 Å²	1	70 Å²	70	0%	0.004	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	152	-172.9	-68	-91.2	0	0	0	113.3	F474 S475 C495 C496 H497 C504 R536 D537 Y539 V548	F474-Y478 HydrophobicContact CD2-CD2 4.07Å; F474-Y478 HydrophobicContact CD2-CG 4.35Å; F474-Y478 VanDerWaalsContact CE2-CB 3.49Å; F474-Y478 HydrophobicContact CE2-CD1 4.5Å; F474-Y478 AromaticContact CE2-CD2 3.78Å; F474-Y478 HydrophobicContact CE2-CD2 3.78Å; F474-Y478 AromaticContact CE2-CG 3.67Å; F474-Y478 HydrophobicContact CE2-CG 3.67Å; F474-Y478 AromaticContact CZ-CG 4Å; F474-Y478 HydrophobicContact CZ-CG 4Å; F474-Y478 PolarHBondContact O-N 2.66Å; S475-Y478 CarbonylContact C-O 3.52Å; S475-Y478 WeakPolarHBondContact CA-O 3.4Å; Y478-C495 HydrophobicContact CD1-CB 4.29Å; Y478-C496 CarbonylContact C-O 3.38Å; Y478-C496 WeakPolarHBondContact CA-O 3.34Å; Y478-H497 HydrophobicContact CD1-CB 3.97Å; Y478-H497 HydrophobicContact CE1-CB 3.56Å; Y478-H497 AromaticContact CE1-CD2 3.95Å; Y478-H497 AromaticContact CE2-CD2 3.99Å; Y478-H497 AromaticContact CZ-CD2 3.68Å; Y478-C504 HydrophobicContact CE1-CB 4.33Å; Y478-R536 VanDerWaalsContact OH-CD 3.3Å; Y478-R536 WeakPolarHBondContact OH-CD 3.24Å; Y478-R536 PolarHBondContact OH-NE 3.2Å; Y478-D537 HydrophobicContact CE2-CB 4.49Å; Y478-D537 VanDerWaalsContact CE2-OD2 3.27Å; Y478-D537 WeakPolarHBondContact CE2-OD2 3.33Å; Y478-D537 PolarHBondContact OH-OD2 2.77Å; Y478-Y539 HydrophobicContact CD2-CE2 4.13Å; Y478-Y539 AromaticContact CE2-CE2 3.97Å; Y478-Y539 HydrophobicContact CE2-CE2 3.97Å; Y478-Y539 WeakPolarHBondContact CE2-OH 3.44Å; Y478-V548 HydrophobicContact CE1-CG1 3.86Å; Y478-V548 HydrophobicContact CE2-CG1 4.44Å; Y478-V548 HydrophobicContact CE2-CG2 4.29Å
479	V	95.1	Very high	87	Confident	54 Å²	54	69.1 Å²	69.1	33%	0.327	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.7	163.5	-179.3	0	0	0	0	107.8	L481 C495 C496 R498	V479-L481 HydrophobicContact CG1-CD2 4.06Å; V479-C495 CarbonylContact O-C 3.58Å; V479-C495 WeakPolarHBondContact O-CA 3.48Å; V479-C495 VanDerWaalsContact O-CB 3.23Å; V479-C495 WeakPolarHBondContact O-CB 3.35Å; V479-C496 PolarHBondContact N-O 3.45Å; V479-C496 PolarHBondContact O-N 2.74Å; V479-R498 HydrophobicContact CG2-CG 3.87Å
480	L	94.6	Very high	87.2	Confident	75 Å²	75	68.8 Å²	68.8	39%	0.393	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	136.2	171.3	-161.2	70.4	0	0	0	109.3	F474 H493 V506 I508	F474-L480 HydrophobicContact CE1-CB 4.44Å; F474-L480 HydrophobicContact CE1-CD1 4.08Å; F474-L480 HydrophobicContact CZ-CD1 4.39Å; L480-H493 HydrophobicContact CD1-CB 3.48Å; L480-H493 VanDerWaalsContact CD1-CB 3.48Å; L480-H493 HydrophobicContact CG-CB 4.08Å; L480-V506 HydrophobicContact CD1-CG1 3.54Å; L480-I508 HydrophobicContact CD1-CD1 4.2Å; L480-I508 HydrophobicContact CD2-CD1 4.48Å
481	L	94.3	Very high	87.3	Confident	70 Å²	70	67.8 Å²	67.8	37%	0.366	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	-142.9	179.6	-54.4	176.5	0	0	0	109.6	V479 K494 C496	V479-L481 HydrophobicContact CG1-CD2 4.06Å; L481-K494 HydrophobicContact CB-CB 4.18Å; L481-K494 WeakPolarHBondContact CB-O 3.45Å; L481-K494 HydrophobicContact CD1-CD 4.18Å; L481-K494 HydrophobicContact CD1-CG 4.18Å; L481-K494 PolarHBondContact N-O 3.03Å; L481-C496 HydrophobicContact CD1-CB 4.04Å
482	E	93	Very high	87.5	Confident	97 Å²	97	63.1 Å²	63.1	45%	0.453	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	145	-178.5	62.4	-90.7	-149.2	0	0	114.4	H493 K494	E482-H493 CarbonylContact O-C 3.58Å; E482-H493 WeakPolarHBondContact O-CA 3.33Å; E482-K494 HydrophobicContact CG-CB 4.23Å; E482-K494 HydrophobicContact CG-CD 4.24Å; E482-K494 PolarHBondContact O-N 3.14Å; E482-K494 WeakPolarHBondContact OE1-CD 3.31Å; E482-K494 WeakPolarHBondContact OE1-CE 2.93Å; E482-K494 IonicContact OE1-NZ 2.84Å; E482-K494 PolarHBondContact OE1-NZ 2.98Å; E482-K494 WeakPolarHBondContact OE2-CD 3.35Å
483	E	92.1	Very high	87.8	Confident	97 Å²	97	60.2 Å²	60.2	45%	0.453	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.8	129.2	167.3	-171.1	176.6	112.8	0	0	108.9	K486 V491 H493	E483-K486 WeakPolarHBondContact OE1-CD 3.35Å; E483-V491 HydrophobicContact CG-CG1 3.68Å; E483-V491 VanDerWaalsContact OE2-CG1 3.26Å; E483-V491 WeakPolarHBondContact OE2-CG1 3.38Å; E483-H493 IonicContact OE2-CE1 2.92Å
484	I	86.6	Confident	88.1	Confident	82 Å²	82	58.2 Å²	58.2	42%	0.421	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	-45.4	179.5	-59.3	170.1	0	0	0	110.2	V492 K494 Y551	I484-V492 HydrophobicContact CB-CG1 4.32Å; I484-V492 HydrophobicContact CD1-CG1 4.42Å; I484-V492 PolarHBondContact N-O 2.9Å; I484-K494 HydrophobicContact CD1-CB 3.99Å; I484-K494 HydrophobicContact CG1-CB 4.31Å; I484-Y551 HydrophobicContact CD1-CD2 4.25Å; I484-Y551 HydrophobicContact CD1-CE2 3.89Å
485	N	80.1	Confident	88.3	Confident	96 Å²	96	57.4 Å²	57.4	51%	0.513	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.6	152.6	-174.6	-164.1	-51	0	0	0	110.7	V492	N485-V492 HydrophobicContact CB-CB 4.22Å; N485-V492 PolarHBondContact N-O 2.97Å; N485-V492 PolarHBondContact O-N 3.42Å
486	K	79.8	Confident	88.5	Confident	138 Å²	138	55.3 Å²	55.3	60%	0.6	30%	0.303	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.2	108.1	-178.5	-175.2	163.5	-175.3	168.7	0	111.6	E483 V491	E483-K486 WeakPolarHBondContact OE1-CD 3.35Å; K486-V491 HydrophobicContact CB-CG1 4.28Å; K486-V491 HydrophobicContact CD-CG1 4.5Å; K486-V491 HydrophobicContact CG-CG1 4.31Å; K486-V491 HydrophobicContact CG-CG2 4.23Å
487	G	68.6	Low	88.6	Confident	37 Å²	37	52.7 Å²	52.7	38%	0.381	29%	0.285	S	S	.	.			trans	-94.2	178.5	172.6	0	0	0	0	0	112.9	F489 S490	G487-F489 VanDerWaalsContact C-N 3.31Å; G487-F489 PolarHBondContact O-N 2.88Å; G487-S490 WeakPolarHBondContact CA-O 3.45Å; G487-S490 PolarHBondContact N-O 3.25Å
488	S	63.2	Low	88.6	Confident	113 Å²	113	57.8 Å²	57.8	79%	0.79	30%	0.304	S	S	*	.	S	Bend	trans	-65.7	-28.1	-175.2	-46.4	0	0	0	0	114.7
489	F	76.7	Confident	88.4	Confident	41 Å²	41	64.3 Å²	64.3	18%	0.18	34%	0.338	C	S	.	.	S	Bend	trans	-125.6	-2.7	-176.2	49.3	-110.5	0	0	0	113.7	G487 D510 K513 R514 F620	G487-F489 VanDerWaalsContact C-N 3.31Å; G487-F489 PolarHBondContact O-N 2.88Å; F489-D510 PolarHBondContact O-N 3.1Å; F489-K513 HydrophobicContact CB-CB 3.93Å; F489-R514 HydrophobicContact CB-CB 4.03Å; F489-R514 HydrophobicContact CD2-CB 4.45Å; F489-R514 VanDerWaalsContact CE2-NH1 3.31Å; F489-R514 HydrophobicContact CG-CB 4.08Å; F489-F620 HydrophobicContact CE1-CZ 4.07Å; F489-F620 HydrophobicContact CZ-CE2 4.3Å; F489-F620 HydrophobicContact CZ-CZ 4.16Å
490	S	85.4	Confident	88.3	Confident	9 Å²	9	65.6 Å²	65.6	6%	0.063	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	148	-177.3	59.5	0	0	0	0	113	G487 K507 I508	G487-S490 WeakPolarHBondContact CA-O 3.45Å; G487-S490 PolarHBondContact N-O 3.25Å; S490-K507 WeakPolarHBondContact OG-CE 3.37Å; S490-I508 CarbonylContact C-O 3.55Å; S490-I508 WeakPolarHBondContact CA-O 2.97Å; S490-I508 WeakPolarHBondContact CB-O 3.12Å
491	V	89.5	Confident	88.2	Confident	35 Å²	35	68 Å²	68	21%	0.212	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	134.1	174.3	-162.1	0	0	0	0	109.4	E483 K486 H493 I508	E483-V491 HydrophobicContact CG-CG1 3.68Å; E483-V491 VanDerWaalsContact OE2-CG1 3.26Å; E483-V491 WeakPolarHBondContact OE2-CG1 3.38Å; K486-V491 HydrophobicContact CB-CG1 4.28Å; K486-V491 HydrophobicContact CD-CG1 4.5Å; K486-V491 HydrophobicContact CG-CG1 4.31Å; K486-V491 HydrophobicContact CG-CG2 4.23Å; V491-H493 VanDerWaalsContact CG1-CE1 3.42Å; V491-H493 WeakPolarHBondContact CG1-CE1 3.18Å; V491-I508 PolarHBondContact N-O 3.49Å; V491-I508 PolarHBondContact O-N 3.46Å
492	V	92.4	Very high	88.1	Confident	27 Å²	27	66 Å²	66	16%	0.164	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	124.1	-178.2	-174.8	0	0	0	0	108.5	I484 N485 C505 V506 K507	I484-V492 HydrophobicContact CB-CG1 4.32Å; I484-V492 HydrophobicContact CD1-CG1 4.42Å; I484-V492 PolarHBondContact N-O 2.9Å; N485-V492 HydrophobicContact CB-CB 4.22Å; N485-V492 PolarHBondContact N-O 2.97Å; N485-V492 PolarHBondContact O-N 3.42Å; V492-C505 WeakPolarHBondContact CG1-SG 3.34Å; V492-V506 WeakPolarHBondContact CA-O 3.28Å; V492-K507 HydrophobicContact CG2-CB 4.28Å; V492-K507 HydrophobicContact CG2-CG 4.1Å
493	H	95.7	Very high	88.2	Confident	29 Å²	29	64.7 Å²	64.7	13%	0.134	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	158.3	177.3	-71.3	70.8	0	0	0	110.4	L480 E482 E483 V491 C505 V506	L480-H493 HydrophobicContact CD1-CB 3.48Å; L480-H493 VanDerWaalsContact CD1-CB 3.48Å; L480-H493 HydrophobicContact CG-CB 4.08Å; E482-H493 CarbonylContact O-C 3.58Å; E482-H493 WeakPolarHBondContact O-CA 3.33Å; E483-H493 IonicContact OE2-CE1 2.92Å; V491-H493 VanDerWaalsContact CG1-CE1 3.42Å; V491-H493 WeakPolarHBondContact CG1-CE1 3.18Å; H493-C505 CarbonylContact O-C 3.5Å; H493-V506 HydrophobicContact CB-CG1 4.01Å; H493-V506 PolarHBondContact N-O 2.82Å; H493-V506 PolarHBondContact O-N 2.65Å
494	K	95.7	Very high	88.3	Confident	41 Å²	41	60.3 Å²	60.3	18%	0.178	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	149.5	160.1	-165.1	-176.7	-175.6	174.1	0	109.1	L481 E482 I484 V503 Y551	L481-K494 HydrophobicContact CB-CB 4.18Å; L481-K494 WeakPolarHBondContact CB-O 3.45Å; L481-K494 HydrophobicContact CD1-CD 4.18Å; L481-K494 HydrophobicContact CD1-CG 4.18Å; L481-K494 PolarHBondContact N-O 3.03Å; E482-K494 HydrophobicContact CG-CB 4.23Å; E482-K494 HydrophobicContact CG-CD 4.24Å; E482-K494 PolarHBondContact O-N 3.14Å; E482-K494 WeakPolarHBondContact OE1-CD 3.31Å; E482-K494 WeakPolarHBondContact OE1-CE 2.93Å; E482-K494 IonicContact OE1-NZ 2.84Å; E482-K494 PolarHBondContact OE1-NZ 2.98Å; E482-K494 WeakPolarHBondContact OE2-CD 3.35Å; I484-K494 HydrophobicContact CD1-CB 3.99Å; I484-K494 HydrophobicContact CG1-CB 4.31Å; K494-V503 HydrophobicContact CD-CG1 4.14Å; K494-V503 VanDerWaalsContact CE-CG1 3.47Å; K494-V503 HydrophobicContact CG-CG1 3.79Å; K494-Y551 HydrophobicContact CD-CE2 4.18Å; K494-Y551 HydrophobicContact CG-CD2 4.07Å; K494-Y551 HydrophobicContact CG-CE2 4.02Å
495	C	96	Very high	88.7	Confident	0 Å²	0	57.1 Å²	57.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	161.7	171.9	63.9	0	0	0	0	111.4	F474 Y478 V479 V503 C504 V506	F474-C495 HydrophobicContact CZ-CB 3.91Å; Y478-C495 HydrophobicContact CD1-CB 4.29Å; V479-C495 CarbonylContact O-C 3.58Å; V479-C495 WeakPolarHBondContact O-CA 3.48Å; V479-C495 VanDerWaalsContact O-CB 3.23Å; V479-C495 WeakPolarHBondContact O-CB 3.35Å; C495-V503 WeakPolarHBondContact O-CA 3.43Å; C495-C504 PolarHBondContact N-O 3.32Å; C495-C504 PolarHBondContact O-N 3.39Å; C495-V506 HydrophobicContact CB-CG1 4.06Å
496	C	96.4	Very high	89.5	Confident	24 Å²	24	52.6 Å²	52.6	16%	0.162	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	126.8	176.4	-175.2	0	0	0	0	110	Y478 V479 L481 R498 N501 A502	Y478-C496 CarbonylContact C-O 3.38Å; Y478-C496 WeakPolarHBondContact CA-O 3.34Å; V479-C496 PolarHBondContact N-O 3.45Å; V479-C496 PolarHBondContact O-N 2.74Å; L481-C496 HydrophobicContact CD1-CB 4.04Å; C496-R498 PolarHBondContact O-N 3.36Å; C496-N501 VanDerWaalsContact SG-CA 3.6Å; C496-A502 WeakPolarHBondContact CA-O 2.93Å
497	H	95.9	Very high	90.1	Very high	24 Å²	24	46.3 Å²	46.3	11%	0.111	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	116.8	175.1	-178	-113.8	0	0	0	110.3	D477 Y478 N499 T500 N501 A502	D477-H497 PolarHBondContact O-CD2 3.44Å; D477-H497 VanDerWaalsContact O-CD2 3.3Å; Y478-H497 HydrophobicContact CD1-CB 3.97Å; Y478-H497 HydrophobicContact CE1-CB 3.56Å; Y478-H497 AromaticContact CE1-CD2 3.95Å; Y478-H497 AromaticContact CE2-CD2 3.99Å; Y478-H497 AromaticContact CZ-CD2 3.68Å; H497-N499 VanDerWaalsContact C-N 3.28Å; H497-N499 PolarHBondContact O-N 3.28Å; H497-N499 VanDerWaalsContact O-N 3.13Å; H497-T500 PolarHBondContact ND1-OG1 3.02Å; H497-T500 PolarHBondContact O-N 2.77Å; H497-N501 WeakPolarHBondContact O-CA 3.44Å; H497-N501 PolarHBondContact O-N 3.22Å; H497-A502 HydrophobicContact CB-CB 4.27Å; H497-A502 PolarHBondContact N-O 3.39Å
498	R	94.1	Very high	91.3	Very high	124 Å²	124	45.7 Å²	45.7	47%	0.468	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-38.2	-167.4	-72	177.7	-178.4	-82	3.6	114.4	S475 V476 D477 V479 C496	S475-R498 VanDerWaalsContact O-CZ 3.32Å; S475-R498 PolarHBondContact O-NE 3.15Å; S475-R498 PolarHBondContact O-NH2 3.09Å; V476-R498 WeakPolarHBondContact O-CD 3.12Å; D477-R498 PolarHBondContact O-N 3.32Å; V479-R498 HydrophobicContact CG2-CG 3.87Å; C496-R498 PolarHBondContact O-N 3.36Å
499	N	91.2	Very high	92.6	Very high	137 Å²	137	40.3 Å²	40.3	73%	0.733	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.9	-18.8	-171.4	-62	-8.4	0	0	0	113.5	H497	H497-N499 VanDerWaalsContact C-N 3.28Å; H497-N499 PolarHBondContact O-N 3.28Å; H497-N499 VanDerWaalsContact O-N 3.13Å
500	T	93.7	Very high	93	Very high	82 Å²	82	40 Å²	40	50%	0.503	22%	0.215	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.2	-1.7	-176.2	65.4	0	0	0	0	113.4	H497 A502	H497-T500 PolarHBondContact ND1-OG1 3.02Å; H497-T500 PolarHBondContact O-N 2.77Å; T500-A502 PolarHBondContact O-N 3.47Å; T500-A502 VanDerWaalsContact OG1-CB 3.3Å; T500-A502 WeakPolarHBondContact OG1-CB 3.2Å; T500-A502 PolarHBondContact OG1-N 3.34Å
501	N	91.5	Very high	92.9	Very high	126 Å²	126	40.7 Å²	40.7	67%	0.674	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.6	23.9	-170.4	-62	-45.4	0	0	0	114.1	C496 H497 V503	C496-N501 VanDerWaalsContact SG-CA 3.6Å; H497-N501 WeakPolarHBondContact O-CA 3.44Å; H497-N501 PolarHBondContact O-N 3.22Å; N501-V503 PolarHBondContact O-N 3.39Å
502	A	92.8	Very high	92.1	Very high	26 Å²	26	42.3 Å²	42.3	22%	0.215	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	123.3	-179.3	0	0	0	0	0	109.6	C496 H497 T500	C496-A502 WeakPolarHBondContact CA-O 2.93Å; H497-A502 HydrophobicContact CB-CB 4.27Å; H497-A502 PolarHBondContact N-O 3.39Å; T500-A502 PolarHBondContact O-N 3.47Å; T500-A502 VanDerWaalsContact OG1-CB 3.3Å; T500-A502 WeakPolarHBondContact OG1-CB 3.2Å; T500-A502 PolarHBondContact OG1-N 3.34Å
503	V	94.6	Very high	91.1	Very high	70 Å²	70	47.3 Å²	47.3	42%	0.424	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	131.9	174.3	180	0	0	0	0	109.1	K494 C495 N501 Y551	K494-V503 HydrophobicContact CD-CG1 4.14Å; K494-V503 VanDerWaalsContact CE-CG1 3.47Å; K494-V503 HydrophobicContact CG-CG1 3.79Å; C495-V503 WeakPolarHBondContact O-CA 3.43Å; N501-V503 PolarHBondContact O-N 3.39Å; V503-Y551 HydrophobicContact CG1-CD1 4.06Å; V503-Y551 HydrophobicContact CG1-CD2 4.36Å; V503-Y551 HydrophobicContact CG1-CG 3.89Å
504	C	95	Very high	90	Very high	5 Å²	5	47.6 Å²	47.6	3%	0.034	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	170.7	-179.9	-65.8	0	0	0	0	109.6	Y478 C495 V548 M549	Y478-C504 HydrophobicContact CE1-CB 4.33Å; C495-C504 PolarHBondContact N-O 3.32Å; C495-C504 PolarHBondContact O-N 3.39Å; C504-V548 HydrophobicContact CB-CG1 3.81Å; C504-M549 WeakPolarHBondContact CB-O 3.39Å
505	C	94.7	Very high	89.1	Confident	16 Å²	16	49.6 Å²	49.6	11%	0.108	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	143.4	170.6	-173.1	0	0	0	0	108.8	V492 H493 V548 M549 Y551	V492-C505 WeakPolarHBondContact CG1-SG 3.34Å; H493-C505 CarbonylContact O-C 3.5Å; C505-V548 CarbonylContact O-C 3Å; C505-V548 WeakPolarHBondContact O-CA 3.47Å; C505-M549 PolarHBondContact N-O 2.76Å; C505-M549 PolarHBondContact O-N 3.41Å; C505-Y551 HydrophobicContact CB-CD2 4.48Å
506	V	95.9	Very high	88.5	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	122	173	62.1	0	0	0	0	110.8	F474 L480 V492 H493 C495 I508 Y546 L547 V548	F474-V506 HydrophobicContact CE2-CB 4.22Å; F474-V506 HydrophobicContact CE2-CG1 4.42Å; F474-V506 HydrophobicContact CE2-CG2 3.86Å; F474-V506 HydrophobicContact CZ-CB 4.19Å; F474-V506 HydrophobicContact CZ-CG1 3.89Å; F474-V506 HydrophobicContact CZ-CG2 4.13Å; L480-V506 HydrophobicContact CD1-CG1 3.54Å; V492-V506 WeakPolarHBondContact CA-O 3.28Å; H493-V506 HydrophobicContact CB-CG1 4.01Å; H493-V506 PolarHBondContact N-O 2.82Å; H493-V506 PolarHBondContact O-N 2.65Å; C495-V506 HydrophobicContact CB-CG1 4.06Å; V506-I508 HydrophobicContact CG1-CG1 4.48Å; V506-I508 HydrophobicContact CG2-CG1 4.17Å; V506-Y546 HydrophobicContact CG2-CD1 4.14Å; V506-L547 WeakPolarHBondContact CA-O 3.01Å; V506-V548 HydrophobicContact CB-CG2 4.41Å; V506-V548 HydrophobicContact CG2-CG2 4.07Å
507	K	94.1	Very high	87.9	Confident	6 Å²	6	51.3 Å²	51.3	3%	0.026	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	113.4	171.2	-177.6	176.7	-175.7	-177.1	0	108.4	S490 V492 I509 E519 L547 M549 D617	S490-K507 WeakPolarHBondContact OG-CE 3.37Å; V492-K507 HydrophobicContact CG2-CB 4.28Å; V492-K507 HydrophobicContact CG2-CG 4.1Å; K507-I509 HydrophobicContact CD-CD1 4.42Å; K507-I509 HydrophobicContact CD-CG1 4.47Å; K507-I509 HydrophobicContact CG-CD1 4.41Å; K507-I509 HydrophobicContact CG-CG1 4.01Å; K507-E519 IonicContact NZ-OE1 2.7Å; K507-E519 PolarHBondContact NZ-OE1 2.98Å; K507-E519 IonicContact NZ-OE2 3.39Å; K507-L547 HydrophobicContact CB-CB 4.33Å; K507-L547 PolarHBondContact N-O 3.42Å; K507-L547 PolarHBondContact O-N 2.83Å; K507-M549 HydrophobicContact CB-CE 3.73Å; K507-D617 IonicContact NZ-OD1 3.55Å; K507-D617 PolarHBondContact NZ-OD1 3.47Å; K507-D617 IonicContact NZ-OD2 3.66Å
508	I	93.7	Very high	87.1	Confident	25 Å²	25	53 Å²	53	13%	0.128	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	111.9	-178.9	-49.9	177.5	0	0	0	107.4	L480 S490 V491 V506 L544 V545 Y546	L480-I508 HydrophobicContact CD1-CD1 4.2Å; L480-I508 HydrophobicContact CD2-CD1 4.48Å; S490-I508 CarbonylContact C-O 3.55Å; S490-I508 WeakPolarHBondContact CA-O 2.97Å; S490-I508 WeakPolarHBondContact CB-O 3.12Å; V491-I508 PolarHBondContact N-O 3.49Å; V491-I508 PolarHBondContact O-N 3.46Å; V506-I508 HydrophobicContact CG1-CG1 4.48Å; V506-I508 HydrophobicContact CG2-CG1 4.17Å; I508-L544 HydrophobicContact CG2-CB 4.39Å; I508-L544 HydrophobicContact CG2-CD1 4.08Å; I508-L544 HydrophobicContact CG2-CD2 4.24Å; I508-L544 HydrophobicContact CG2-CG 4.48Å; I508-V545 CarbonylContact C-O 3.54Å; I508-V545 WeakPolarHBondContact CA-O 3.25Å; I508-Y546 HydrophobicContact CB-CD1 4.48Å; I508-Y546 HydrophobicContact CD1-CD1 4.11Å; I508-Y546 HydrophobicContact CD1-CE1 3.89Å; I508-Y546 HydrophobicContact CG1-CD1 3.77Å; I508-Y546 HydrophobicContact CG1-CE1 3.99Å; I508-Y546 HydrophobicContact CG2-CD1 4.17Å; I508-Y546 HydrophobicContact CG2-CE1 3.93Å
509	I	89.9	Confident	86.9	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	131.6	-173.8	-52.7	171	0	0	0	109.8	K507 K511 A516 L544 V545	K507-I509 HydrophobicContact CD-CD1 4.42Å; K507-I509 HydrophobicContact CD-CG1 4.47Å; K507-I509 HydrophobicContact CG-CD1 4.41Å; K507-I509 HydrophobicContact CG-CG1 4.01Å; I509-K511 PolarHBondContact O-N 3.03Å; I509-A516 HydrophobicContact CD1-CB 3.73Å; I509-A516 HydrophobicContact CG2-CB 4.26Å; I509-L544 WeakPolarHBondContact O-CA 3.34Å; I509-V545 HydrophobicContact CB-CB 4.44Å; I509-V545 PolarHBondContact N-O 3.3Å; I509-V545 PolarHBondContact O-N 3.29Å
510	D	85.5	Confident	86.7	Confident	33 Å²	33	40.7 Å²	40.7	18%	0.176	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	108.7	176.8	-175.1	-16	0	0	0	110.9	F489 S512 K513 R514 L544	F489-D510 PolarHBondContact O-N 3.1Å; D510-S512 VanDerWaalsContact CG-OG 3.31Å; D510-S512 PolarHBondContact O-N 3.48Å; D510-S512 WeakPolarHBondContact OD1-CB 3.42Å; D510-S512 PolarHBondContact OD1-N 2.93Å; D510-S512 PolarHBondContact OD1-OG 3.36Å; D510-S512 PolarHBondContact OD2-OG 2.84Å; D510-K513 HydrophobicContact CB-CB 4.38Å; D510-K513 HydrophobicContact CB-CD 4.16Å; D510-K513 HydrophobicContact CB-CG 4.37Å; D510-K513 PolarHBondContact O-N 2.96Å; D510-K513 WeakPolarHBondContact OD2-CD 3.35Å; D510-K513 WeakPolarHBondContact OD2-CE 3.17Å; D510-K513 IonicContact OD2-NZ 3.62Å; D510-K513 PolarHBondContact OD2-NZ 3.29Å; D510-R514 PolarHBondContact O-N 3Å; D510-R514 VanDerWaalsContact O-N 3.12Å; D510-L544 HydrophobicContact CB-CD2 4.49Å
511	K	81.9	Confident	86.4	Confident	25 Å²	25	39.5 Å²	39.5	11%	0.109	21%	0.206	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	-19.5	-177.4	-66.6	171.7	55.1	-176.3	0	113.2	I509 K513 E540 N541 E542 N543 V545	I509-K511 PolarHBondContact O-N 3.03Å; K511-K513 VanDerWaalsContact C-N 3.27Å; K511-E540 WeakPolarHBondContact CE-OE1 3.34Å; K511-E540 IonicContact NZ-OE1 3.88Å; K511-E540 PolarHBondContact NZ-OE1 2.75Å; K511-N541 PolarHBondContact NZ-O 3.41Å; K511-E542 WeakPolarHBondContact CE-O 3.24Å; K511-E542 PolarHBondContact NZ-O 3.01Å; K511-N543 WeakPolarHBondContact CB-O 3.37Å; K511-N543 PolarHBondContact N-O 2.69Å; K511-V545 HydrophobicContact CD-CG2 3.91Å; K511-V545 HydrophobicContact CG-CG2 3.86Å
512	S	73.3	Confident	86.2	Confident	69 Å²	69	33.6 Å²	33.6	48%	0.483	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.2	174.2	72.8	0	0	0	0	112.7	D510	D510-S512 VanDerWaalsContact CG-OG 3.31Å; D510-S512 PolarHBondContact O-N 3.48Å; D510-S512 WeakPolarHBondContact OD1-CB 3.42Å; D510-S512 PolarHBondContact OD1-N 2.93Å; D510-S512 PolarHBondContact OD1-OG 3.36Å; D510-S512 PolarHBondContact OD2-OG 2.84Å
513	K	71.8	Confident	86.1	Confident	132 Å²	132	32.4 Å²	32.4	57%	0.574	16%	0.164	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.5	-29	-175.1	-64.7	176.7	-176	136	0	113.8	F489 D510 K511	F489-K513 HydrophobicContact CB-CB 3.93Å; D510-K513 HydrophobicContact CB-CB 4.38Å; D510-K513 HydrophobicContact CB-CD 4.16Å; D510-K513 HydrophobicContact CB-CG 4.37Å; D510-K513 PolarHBondContact O-N 2.96Å; D510-K513 WeakPolarHBondContact OD2-CD 3.35Å; D510-K513 WeakPolarHBondContact OD2-CE 3.17Å; D510-K513 IonicContact OD2-NZ 3.62Å; D510-K513 PolarHBondContact OD2-NZ 3.29Å; K511-K513 VanDerWaalsContact C-N 3.27Å
514	R	73.2	Confident	85.8	Confident	35 Å²	35	31.6 Å²	31.6	13%	0.132	16%	0.157	C	C	.	.			trans	-154.6	137.2	-176.1	-175.8	168.1	163.6	-94.8	-36.6	112.5	F489 D510 E519 G619	F489-R514 HydrophobicContact CB-CB 4.03Å; F489-R514 HydrophobicContact CD2-CB 4.45Å; F489-R514 VanDerWaalsContact CE2-NH1 3.31Å; F489-R514 HydrophobicContact CG-CB 4.08Å; D510-R514 PolarHBondContact O-N 3Å; D510-R514 VanDerWaalsContact O-N 3.12Å; R514-E519 IonicContact CZ-OE2 3.12Å; R514-E519 IonicContact NH1-OE2 2.64Å; R514-E519 PolarHBondContact NH1-OE2 3.44Å; R514-E519 IonicContact NH2-OE2 2.61Å; R514-E519 PolarHBondContact NH2-OE2 2.83Å; R514-G619 PolarHBondContact NE-O 3.48Å; R514-G619 VanDerWaalsContact NH2-CA 3.28Å; R514-G619 PolarHBondContact NH2-O 3.44Å
515	D	75.9	Confident	85.4	Confident	82 Å²	82	34.8 Å²	34.8	44%	0.439	17%	0.169	S	C	.	.			trans	-74.5	124	167.1	-171.8	-7.2	0	0	0	109.9	F460 R517	F460-D515 HydrophobicContact CD1-CB 4.32Å; D515-R517 VanDerWaalsContact OD1-CB 3.24Å; D515-R517 WeakPolarHBondContact OD1-CB 3.49Å; D515-R517 PolarHBondContact OD1-N 2.86Å
516	A	84	Confident	85.1	Confident	4 Å²	4	34.1 Å²	34.1	3%	0.033	16%	0.164	C	C	.	.			trans	-95.9	-8.1	179.9	0	0	0	0	0	113.5	I509 E518 E519 V520 V545	I509-A516 HydrophobicContact CD1-CB 3.73Å; I509-A516 HydrophobicContact CG2-CB 4.26Å; A516-E518 PolarHBondContact O-N 2.77Å; A516-E519 PolarHBondContact O-N 3Å; A516-V520 HydrophobicContact CB-CG2 4.48Å; A516-V520 WeakPolarHBondContact O-CG2 3.33Å; A516-V520 PolarHBondContact O-N 2.76Å; A516-V545 HydrophobicContact CB-CB 4.33Å; A516-V545 HydrophobicContact CB-CG1 4.37Å; A516-V545 HydrophobicContact CB-CG2 4.24Å
517	R	82.5	Confident	84.6	Confident	56 Å²	56	38.1 Å²	38.1	21%	0.211	18%	0.182	C	C	.	.	H	α-helix	trans	-59.2	-42.4	-168.1	-173.2	175.9	177.1	115	2.9	113.3	R462 L463 A464 L466 D515 V520 E521	R462-R517 PolarHBondContact O-NH1 3.46Å; R462-R517 VanDerWaalsContact O-NH1 3.07Å; L463-R517 HydrophobicContact CD2-CB 3.9Å; L463-R517 HydrophobicContact CD2-CG 4.1Å; A464-R517 PolarHBondContact O-NH1 3.4Å; L466-R517 HydrophobicContact CD1-CG 4.13Å; D515-R517 VanDerWaalsContact OD1-CB 3.24Å; D515-R517 WeakPolarHBondContact OD1-CB 3.49Å; D515-R517 PolarHBondContact OD1-N 2.86Å; R517-V520 PolarHBondContact O-N 3.04Å; R517-E521 WeakPolarHBondContact O-CB 3.31Å; R517-E521 PolarHBondContact O-N 3.38Å
518	E	81	Confident	84.1	Confident	59 Å²	59	44 Å²	44	28%	0.276	21%	0.214	S	C	.	.	H	α-helix	trans	-70.5	-38.3	-179.6	-168.8	169.1	-170.1	0	0	112.1	A516 E521 I522 K622 Q623	A516-E518 PolarHBondContact O-N 2.77Å; E518-E521 PolarHBondContact O-N 2.92Å; E518-I522 HydrophobicContact CG-CD1 3.93Å; E518-I522 WeakPolarHBondContact O-CB 3.5Å; E518-I522 WeakPolarHBondContact O-CD1 3.31Å; E518-I522 WeakPolarHBondContact O-CG1 3.31Å; E518-I522 PolarHBondContact O-N 3.4Å; E518-K622 WeakPolarHBondContact OE1-CD 3.42Å; E518-K622 VanDerWaalsContact OE1-CE 3.3Å; E518-K622 WeakPolarHBondContact OE1-CE 3.35Å; E518-K622 IonicContact OE1-NZ 2.63Å; E518-K622 PolarHBondContact OE1-NZ 3.09Å; E518-K622 IonicContact OE2-NZ 3.9Å; E518-K622 PolarHBondContact OE2-NZ 2.98Å; E518-Q623 PolarHBondContact OE1-N 3.17Å
519	E	88.6	Confident	84.1	Confident	4 Å²	4	43.9 Å²	43.9	2%	0.019	21%	0.213	C	C	.	.	H	α-helix	trans	-62.8	-44.7	173.4	176.4	176	-173.5	0	0	111.2	K507 R514 A516 L523 L547 F618 G619	K507-E519 IonicContact NZ-OE1 2.7Å; K507-E519 PolarHBondContact NZ-OE1 2.98Å; K507-E519 IonicContact NZ-OE2 3.39Å; R514-E519 IonicContact CZ-OE2 3.12Å; R514-E519 IonicContact NH1-OE2 2.64Å; R514-E519 PolarHBondContact NH1-OE2 3.44Å; R514-E519 IonicContact NH2-OE2 2.61Å; R514-E519 PolarHBondContact NH2-OE2 2.83Å; A516-E519 PolarHBondContact O-N 3Å; E519-L523 HydrophobicContact CG-CD1 4.03Å; E519-L523 WeakPolarHBondContact O-CB 3.27Å; E519-L523 WeakPolarHBondContact O-CG 3.35Å; E519-L523 PolarHBondContact O-N 2.7Å; E519-L523 VanDerWaalsContact O-N 3.11Å; E519-L547 HydrophobicContact CG-CD2 4.42Å; E519-F618 HydrophobicContact CG-CB 4.23Å; E519-G619 WeakPolarHBondContact OE2-CA 3.43Å
520	V	88.2	Confident	84.2	Confident	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-64.1	-46.1	176.9	173.1	0	0	0	0	111.4	L463 L466 A516 R517 L523 L524 V538 V545 L547	L463-V520 HydrophobicContact CD1-CG2 4.42Å; L466-V520 HydrophobicContact CD1-CG1 4.03Å; A516-V520 HydrophobicContact CB-CG2 4.48Å; A516-V520 WeakPolarHBondContact O-CG2 3.33Å; A516-V520 PolarHBondContact O-N 2.76Å; R517-V520 PolarHBondContact O-N 3.04Å; V520-L523 PolarHBondContact O-N 2.73Å; V520-L524 HydrophobicContact CG1-CD1 3.67Å; V520-L524 HydrophobicContact CG1-CG 4.23Å; V520-L524 VanDerWaalsContact O-CB 3.32Å; V520-L524 WeakPolarHBondContact O-CB 3.21Å; V520-L524 VanDerWaalsContact O-CG 3.27Å; V520-L524 WeakPolarHBondContact O-CG 3.45Å; V520-L524 PolarHBondContact O-N 3.28Å; V520-V538 HydrophobicContact CG1-CG1 4.17Å; V520-V538 HydrophobicContact CG1-CG2 4.07Å; V520-V538 HydrophobicContact CG2-CG1 4.35Å; V520-V545 HydrophobicContact CG2-CG1 4.4Å; V520-L547 HydrophobicContact CG2-CD1 4.3Å
521	E	86	Confident	84.7	Confident	56 Å²	56	47 Å²	47	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-64.4	-43.8	-179.2	-171.4	-177.4	152.9	0	0	112.1	L466 R517 E518 L524 R525	L466-E521 HydrophobicContact CD2-CB 4.39Å; L466-E521 HydrophobicContact CD2-CG 4.25Å; R517-E521 WeakPolarHBondContact O-CB 3.31Å; R517-E521 PolarHBondContact O-N 3.38Å; E518-E521 PolarHBondContact O-N 2.92Å; E521-L524 PolarHBondContact O-N 3.31Å; E521-R525 WeakPolarHBondContact O-CB 3.35Å; E521-R525 PolarHBondContact O-N 2.73Å; E521-R525 IonicContact OE1-CZ 3.65Å; E521-R525 IonicContact OE1-NH1 2.76Å; E521-R525 IonicContact OE1-NH2 3.04Å; E521-R525 PolarHBondContact OE1-NH2 2.95Å
522	I	87.4	Confident	85.4	Confident	3 Å²	3	45.9 Å²	45.9	2%	0.015	23%	0.23	C	C	.	.	H	α-helix	trans	-61.6	-49.2	178	-70.3	167.2	0	0	0	110.3	E518 R525 H526 V591 F618 A621 Q623	E518-I522 HydrophobicContact CG-CD1 3.93Å; E518-I522 WeakPolarHBondContact O-CB 3.5Å; E518-I522 WeakPolarHBondContact O-CD1 3.31Å; E518-I522 WeakPolarHBondContact O-CG1 3.31Å; E518-I522 PolarHBondContact O-N 3.4Å; I522-R525 PolarHBondContact O-N 2.89Å; I522-H526 PolarHBondContact O-CD2 3.1Å; I522-H526 PolarHBondContact O-N 2.98Å; I522-V591 HydrophobicContact CD1-CG1 4.15Å; I522-V591 HydrophobicContact CG1-CG2 4.43Å; I522-V591 HydrophobicContact CG2-CG1 3.87Å; I522-V591 HydrophobicContact CG2-CG2 4.4Å; I522-F618 HydrophobicContact CG2-CD1 3.6Å; I522-F618 HydrophobicContact CG2-CE1 4.03Å; I522-F618 HydrophobicContact CG2-CG 4.46Å; I522-A621 HydrophobicContact CD1-CB 3.9Å; I522-Q623 HydrophobicContact CD1-CB 4.42Å
523	L	91.6	Very high	86.4	Confident	1 Å²	1	42.8 Å²	42.8	1%	0.005	21%	0.207	C	C	.	.	H	α-helix	trans	-67.3	-38.4	-179	-71.9	169.8	0	0	0	112.7	E519 V520 R525 H526 H527 I532 V533 V535 L547 F618	E519-L523 HydrophobicContact CG-CD1 4.03Å; E519-L523 WeakPolarHBondContact O-CB 3.27Å; E519-L523 WeakPolarHBondContact O-CG 3.35Å; E519-L523 PolarHBondContact O-N 2.7Å; E519-L523 VanDerWaalsContact O-N 3.11Å; V520-L523 PolarHBondContact O-N 2.73Å; L523-R525 VanDerWaalsContact C-N 3.33Å; L523-R525 PolarHBondContact O-N 2.94Å; L523-H526 PolarHBondContact O-N 2.85Å; L523-H527 WeakPolarHBondContact O-CB 3.46Å; L523-H527 PolarHBondContact O-N 3.4Å; L523-I532 HydrophobicContact CD2-CG2 4.12Å; L523-V533 HydrophobicContact CD2-CG1 3.9Å; L523-V535 HydrophobicContact CB-CG2 3.58Å; L523-V535 HydrophobicContact CD1-CG2 3.95Å; L523-V535 HydrophobicContact CG-CG2 4.29Å; L523-L547 HydrophobicContact CD1-CD2 3.72Å; L523-F618 HydrophobicContact CD1-CB 4.34Å; L523-F618 HydrophobicContact CD2-CB 4.29Å; L523-F618 HydrophobicContact CD2-CD2 3.54Å; L523-F618 HydrophobicContact CD2-CE2 4Å; L523-F618 HydrophobicContact CD2-CG 3.91Å; L523-F618 HydrophobicContact CG-CB 4.16Å; L523-F618 HydrophobicContact CG-CD2 4.34Å; L523-F618 HydrophobicContact CG-CG 4.26Å
524	L	87.6	Confident	87.4	Confident	53 Å²	53	38.3 Å²	38.3	28%	0.277	19%	0.193	S	C	.	.	H	α-helix	trans	-67.1	-30.7	173.5	-72.4	176.6	0	0	0	112.8	V520 E521 H527 V535 V538	V520-L524 HydrophobicContact CG1-CD1 3.67Å; V520-L524 HydrophobicContact CG1-CG 4.23Å; V520-L524 VanDerWaalsContact O-CB 3.32Å; V520-L524 WeakPolarHBondContact O-CB 3.21Å; V520-L524 VanDerWaalsContact O-CG 3.27Å; V520-L524 WeakPolarHBondContact O-CG 3.45Å; V520-L524 PolarHBondContact O-N 3.28Å; E521-L524 PolarHBondContact O-N 3.31Å; L524-H527 PolarHBondContact O-CD2 3.15Å; L524-V535 HydrophobicContact CD2-CB 4.44Å; L524-V535 HydrophobicContact CD2-CG1 3.92Å; L524-V538 HydrophobicContact CD1-CG2 4.39Å; L524-V538 HydrophobicContact CD2-CG2 4.32Å
525	R	86.3	Confident	88.3	Confident	72 Å²	72	37.3 Å²	37.3	27%	0.272	19%	0.191	S	C	.	.	H	α-helix	trans	-73.1	-40.7	174.4	177.5	173.3	-71.9	131.8	17	112.3	E521 I522 L523 L631	E521-R525 WeakPolarHBondContact O-CB 3.35Å; E521-R525 PolarHBondContact O-N 2.73Å; E521-R525 IonicContact OE1-CZ 3.65Å; E521-R525 IonicContact OE1-NH1 2.76Å; E521-R525 IonicContact OE1-NH2 3.04Å; E521-R525 PolarHBondContact OE1-NH2 2.95Å; I522-R525 PolarHBondContact O-N 2.89Å; L523-R525 VanDerWaalsContact C-N 3.33Å; L523-R525 PolarHBondContact O-N 2.94Å; R525-L631 VanDerWaalsContact NH2-CD2 3.35Å
526	H	89.1	Confident	88.9	Confident	2 Å²	2	39 Å²	39	1%	0.009	19%	0.191	C	C	.	.	H	α-helix	trans	-101.4	11.3	-170.9	-62.4	-65.1	0	0	0	114.4	I522 L523 N528 H529 I532 Y585	I522-H526 PolarHBondContact O-CD2 3.1Å; I522-H526 PolarHBondContact O-N 2.98Å; L523-H526 PolarHBondContact O-N 2.85Å; H526-N528 PolarHBondContact O-N 2.71Å; H526-H529 WeakPolarHBondContact O-CB 3.23Å; H526-H529 PolarHBondContact O-N 3.43Å; H526-I532 HydrophobicContact CB-CD1 4.01Å; H526-Y585 HydrophobicContact CB-CE1 4.33Å; H526-Y585 AromaticContact ND1-CE1 3.38Å; H526-Y585 WeakPolarHBondContact ND1-CE1 3.39Å; H526-Y585 AromaticContact ND1-CZ 3.47Å; H526-Y585 PolarHBondContact ND1-OH 3.44Å
527	H	84.8	Confident	89.4	Confident	83 Å²	83	40 Å²	40	38%	0.384	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-20.5	-176	79.9	99.4	0	0	0	116.1	L523 L524	L523-H527 WeakPolarHBondContact O-CB 3.46Å; L523-H527 PolarHBondContact O-N 3.4Å; L524-H527 PolarHBondContact O-CD2 3.15Å
528	N	83.6	Confident	89.9	Confident	130 Å²	130	37.4 Å²	37.4	70%	0.695	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.2	-7.1	178.5	-68.5	-44.8	0	0	0	113.9	H526	H526-N528 PolarHBondContact O-N 2.71Å
529	H	93	Very high	90.4	Very high	23 Å²	23	34.7 Å²	34.7	11%	0.106	17%	0.173	C	C	.	.			trans	-76.6	122.6	-179.6	-173.6	-84.5	0	0	0	109.9	H526 N531 I532 Y585	H526-H529 WeakPolarHBondContact O-CB 3.23Å; H526-H529 PolarHBondContact O-N 3.43Å; H529-N531 PolarHBondContact ND1-N 3.22Å; H529-N531 PolarHBondContact O-N 2.84Å; H529-I532 HydrophobicContact CB-CB 4.24Å; H529-I532 HydrophobicContact CB-CD1 3.86Å; H529-I532 HydrophobicContact CB-CG1 4.15Å; H529-I532 PolarHBondContact O-N 3.02Å; H529-I532 VanDerWaalsContact O-N 3.08Å; H529-Y585 HydrophobicContact CB-CD1 4.38Å; H529-Y585 HydrophobicContact CB-CE1 3.92Å; H529-Y585 AromaticContact CD2-CD1 3.37Å; H529-Y585 WeakPolarHBondContact CD2-CD1 3.45Å; H529-Y585 AromaticContact CD2-CD2 3.93Å; H529-Y585 AromaticContact CD2-CE1 3.65Å; H529-Y585 AromaticContact CD2-CG 3.53Å; H529-Y585 AromaticContact CG-CD1 3.86Å; H529-Y585 AromaticContact CG-CE1 3.9Å; H529-Y585 AromaticContact NE2-CD1 3.9Å; H529-Y585 AromaticContact NE2-CG 3.82Å
530	P	94	Very high	90.4	Very high	81 Å²	81	34.9 Å²	34.9	53%	0.526	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.3	-168.1	24.8	-35.3	0	0	0	113.8	R614	P530-R614 VanDerWaalsContact O-CD 3.24Å; P530-R614 WeakPolarHBondContact O-CD 3.24Å; P530-R614 PolarHBondContact O-NE 3.22Å; P530-R614 VanDerWaalsContact O-NE 3.12Å; P530-R614 PolarHBondContact O-NH1 2.94Å
531	N	95.7	Very high	90.3	Very high	17 Å²	17	38.2 Å²	38.2	9%	0.091	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.1	20.6	180	-53.7	108.7	0	0	0	114.3	H529 V578 T582 S611 L613 R614 I615	H529-N531 PolarHBondContact ND1-N 3.22Å; H529-N531 PolarHBondContact O-N 2.84Å; N531-V578 HydrophobicContact CB-CG1 4.1Å; N531-T582 HydrophobicContact CB-CG2 4.32Å; N531-T582 VanDerWaalsContact CB-OG1 3.27Å; N531-T582 WeakPolarHBondContact CB-OG1 3.25Å; N531-S611 PolarHBondContact ND2-O 3.01Å; N531-L613 WeakPolarHBondContact CA-O 3.45Å; N531-L613 PolarHBondContact ND2-O 3.5Å; N531-R614 CarbonylContact O-C 3.48Å; N531-R614 WeakPolarHBondContact O-CA 3.36Å; N531-I615 PolarHBondContact O-N 2.76Å
532	I	95.5	Very high	89.9	Confident	2 Å²	2	42.5 Å²	42.5	1%	0.01	21%	0.212	C	C	.	.	B	Isolated β-bridge	trans	-115.8	141.2	170.4	-67.6	174.4	0	0	0	108.2	L523 H526 H529 S534 T582 Y585 L586 F618	L523-I532 HydrophobicContact CD2-CG2 4.12Å; H526-I532 HydrophobicContact CB-CD1 4.01Å; H529-I532 HydrophobicContact CB-CB 4.24Å; H529-I532 HydrophobicContact CB-CD1 3.86Å; H529-I532 HydrophobicContact CB-CG1 4.15Å; H529-I532 PolarHBondContact O-N 3.02Å; H529-I532 VanDerWaalsContact O-N 3.08Å; I532-S534 PolarHBondContact O-N 2.84Å; I532-T582 HydrophobicContact CD1-CG2 4.24Å; I532-T582 HydrophobicContact CG1-CG2 3.74Å; I532-Y585 HydrophobicContact CD1-CD1 4.2Å; I532-Y585 HydrophobicContact CD1-CE1 4.13Å; I532-L586 HydrophobicContact CD1-CD1 4.35Å; I532-L586 HydrophobicContact CD1-CD2 3.64Å; I532-L586 HydrophobicContact CD1-CG 4.03Å; I532-F618 HydrophobicContact CD1-CZ 4.25Å; I532-F618 HydrophobicContact CG1-CZ 4.19Å; I532-F618 HydrophobicContact CG2-CE2 3.83Å; I532-F618 HydrophobicContact CG2-CZ 3.83Å
533	V	94.8	Very high	89.8	Confident	3 Å²	3	47.6 Å²	47.6	2%	0.018	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-59.1	124.1	176.5	66.7	0	0	0	0	111.2	L523 M549 E550 L552 I615 C616	L523-V533 HydrophobicContact CD2-CG1 3.9Å; V533-M549 HydrophobicContact CG1-SD 4.28Å; V533-M549 HydrophobicContact CG2-CB 4.03Å; V533-M549 HydrophobicContact CG2-CG 4.42Å; V533-M549 HydrophobicContact CG2-SD 4.25Å; V533-E550 HydrophobicContact CG2-CG 3.93Å; V533-L552 HydrophobicContact CG2-CD1 4.21Å; V533-I615 PolarHBondContact N-O 3.39Å; V533-C616 HydrophobicContact CB-CB 3.92Å; V533-C616 HydrophobicContact CG1-CB 3.78Å; V533-C616 HydrophobicContact CG2-CB 4.45Å
534	S	92.3	Very high	89.7	Confident	38 Å²	38	49.9 Å²	49.9	27%	0.266	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-79.5	135.2	-180	58.3	0	0	0	0	112.1	I532 M549 E550	I532-S534 PolarHBondContact O-N 2.84Å; S534-M549 VanDerWaalsContact O-CA 3.22Å; S534-M549 WeakPolarHBondContact O-CA 3.34Å; S534-E550 WeakPolarHBondContact CB-OE1 3.47Å; S534-E550 PolarHBondContact N-OE1 3.32Å; S534-E550 PolarHBondContact O-N 3.39Å; S534-E550 VanDerWaalsContact O-N 3.09Å; S534-E550 PolarHBondContact OG-OE1 2.79Å
535	V	91.6	Very high	89.9	Confident	15 Å²	15	47.5 Å²	47.5	9%	0.091	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	128.1	170.2	169.2	0	0	0	0	109.1	L523 L524 V538 L547 M549	L523-V535 HydrophobicContact CB-CG2 3.58Å; L523-V535 HydrophobicContact CD1-CG2 3.95Å; L523-V535 HydrophobicContact CG-CG2 4.29Å; L524-V535 HydrophobicContact CD2-CB 4.44Å; L524-V535 HydrophobicContact CD2-CG1 3.92Å; V535-V538 HydrophobicContact CG1-CG2 3.79Å; V535-L547 HydrophobicContact CB-CD1 4.33Å; V535-L547 HydrophobicContact CG1-CD1 3.7Å; V535-L547 HydrophobicContact CG2-CD1 3.58Å; V535-L547 HydrophobicContact CG2-CG 4.15Å; V535-M549 HydrophobicContact CG2-CG 4Å
536	R	90.4	Very high	90.3	Very high	117 Å²	117	46 Å²	46	44%	0.442	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	-45.6	179.8	178.9	178.1	174.8	122.6	4.6	112.3	Y478 V548	Y478-R536 VanDerWaalsContact OH-CD 3.3Å; Y478-R536 WeakPolarHBondContact OH-CD 3.24Å; Y478-R536 PolarHBondContact OH-NE 3.2Å; R536-V548 PolarHBondContact N-O 3.09Å
537	D	92.7	Very high	90.5	Very high	26 Å²	26	46 Å²	46	14%	0.139	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	149.4	-177.7	-74.7	-56.2	0	0	0	110.4	K470 Y478 Y539 V548	K470-D537 WeakPolarHBondContact CE-OD1 3.22Å; K470-D537 IonicContact NZ-OD1 3.18Å; K470-D537 PolarHBondContact NZ-OD1 2.7Å; K470-D537 IonicContact NZ-OD2 2.66Å; K470-D537 PolarHBondContact NZ-OD2 3.1Å; Y478-D537 HydrophobicContact CE2-CB 4.49Å; Y478-D537 VanDerWaalsContact CE2-OD2 3.27Å; Y478-D537 WeakPolarHBondContact CE2-OD2 3.33Å; Y478-D537 PolarHBondContact OH-OD2 2.77Å; D537-Y539 HydrophobicContact CB-CD2 4.38Å; D537-Y539 HydrophobicContact CB-CE2 3.55Å; D537-Y539 PolarHBondContact OD2-OH 3.34Å; D537-V548 HydrophobicContact CB-CB 4.05Å; D537-V548 HydrophobicContact CB-CG2 4.15Å; D537-V548 PolarHBondContact N-O 3.11Å; D537-V548 WeakPolarHBondContact O-CA 3.39Å; D537-V548 WeakPolarHBondContact O-CB 3.11Å; D537-V548 PolarHBondContact O-N 3.4Å
538	V	93.2	Very high	91	Very high	1 Å²	1	42 Å²	42	1%	0.006	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	130.7	171.3	-171	0	0	0	0	108.6	L463 V469 K470 V520 L524 V535 V545 Y546 L547	L463-V538 HydrophobicContact CD1-CG1 3.84Å; V469-V538 HydrophobicContact CG1-CG1 4.3Å; V469-V538 HydrophobicContact CG2-CB 4.21Å; V469-V538 HydrophobicContact CG2-CG1 4.17Å; K470-V538 WeakPolarHBondContact CB-O 3.37Å; K470-V538 PolarHBondContact N-O 3.43Å; V520-V538 HydrophobicContact CG1-CG1 4.17Å; V520-V538 HydrophobicContact CG1-CG2 4.07Å; V520-V538 HydrophobicContact CG2-CG1 4.35Å; L524-V538 HydrophobicContact CD1-CG2 4.39Å; L524-V538 HydrophobicContact CD2-CG2 4.32Å; V535-V538 HydrophobicContact CG1-CG2 3.79Å; V538-V545 HydrophobicContact CG1-CG1 4.17Å; V538-Y546 WeakPolarHBondContact CA-O 3.06Å; V538-L547 HydrophobicContact CG2-CD1 3.91Å
539	Y	93	Very high	91.5	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	144.2	171.5	-53.4	-105.9	0	0	0	110.8	K470 K472 F474 D477 Y478 D537 V545 Y546 V548	K470-Y539 HydrophobicContact CB-CD1 3.58Å; K470-Y539 HydrophobicContact CB-CE1 3.75Å; K470-Y539 HydrophobicContact CB-CG 4.21Å; K470-Y539 HydrophobicContact CD-CD1 4.09Å; K470-Y539 HydrophobicContact CD-CE1 3.39Å; K470-Y539 HydrophobicContact CD-CE2 4.25Å; K470-Y539 VanDerWaalsContact CD-CZ 3.43Å; K470-Y539 WeakPolarHBondContact CD-OH 3.36Å; K470-Y539 HydrophobicContact CG-CD1 4.5Å; K470-Y539 HydrophobicContact CG-CE1 4.22Å; K470-Y539 PolarHBondContact NZ-OH 3.29Å; K470-Y539 VanDerWaalsContact O-CA 3.23Å; K470-Y539 WeakPolarHBondContact O-CA 3.21Å; K472-Y539 HydrophobicContact CG-CE1 4.31Å; K472-Y539 WeakPolarHBondContact O-CD1 3.07Å; F474-Y539 HydrophobicContact CB-CD1 4.47Å; F474-Y539 HydrophobicContact CB-CD2 4.47Å; F474-Y539 HydrophobicContact CB-CG 4.23Å; F474-Y539 AromaticContact CD2-CD2 3.88Å; F474-Y539 HydrophobicContact CD2-CD2 3.88Å; F474-Y539 HydrophobicContact CD2-CE2 4.02Å; F474-Y539 HydrophobicContact CD2-CG 4.47Å; D477-Y539 WeakPolarHBondContact CB-OH 3.37Å; D477-Y539 PolarHBondContact OD2-OH 3.17Å; Y478-Y539 HydrophobicContact CD2-CE2 4.13Å; Y478-Y539 AromaticContact CE2-CE2 3.97Å; Y478-Y539 HydrophobicContact CE2-CE2 3.97Å; Y478-Y539 WeakPolarHBondContact CE2-OH 3.44Å; D537-Y539 HydrophobicContact CB-CD2 4.38Å; D537-Y539 HydrophobicContact CB-CE2 3.55Å; D537-Y539 PolarHBondContact OD2-OH 3.34Å; Y539-V545 CarbonylContact O-C 3.57Å; Y539-V545 WeakPolarHBondContact O-CA 3.46Å; Y539-Y546 PolarHBondContact N-O 3.3Å; Y539-Y546 PolarHBondContact O-N 3.47Å; Y539-V548 HydrophobicContact CD2-CG2 4.16Å; Y539-V548 HydrophobicContact CE2-CG2 3.92Å
540	E	88.4	Confident	91.5	Very high	8 Å²	8	37.7 Å²	37.7	4%	0.037	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136.6	173.5	-177.6	179.3	-172.2	0	0	110.8	R462 L463 V469 K470 Y471 K511	R462-E540 VanDerWaalsContact CA-OE1 3.27Å; R462-E540 WeakPolarHBondContact CA-OE1 3.28Å; L463-E540 WeakPolarHBondContact CB-OE2 3.2Å; L463-E540 HydrophobicContact CD1-CB 4.35Å; L463-E540 PolarHBondContact N-OE2 3Å; V469-E540 HydrophobicContact CG1-CB 4.07Å; K470-E540 PolarHBondContact O-N 3.47Å; Y471-E540 HydrophobicContact CD1-CB 4.26Å; Y471-E540 HydrophobicContact CE1-CB 4.13Å; K511-E540 WeakPolarHBondContact CE-OE1 3.34Å; K511-E540 IonicContact NZ-OE1 3.88Å; K511-E540 PolarHBondContact NZ-OE1 2.75Å
541	N	85	Confident	91.5	Very high	70 Å²	70	37.5 Å²	37.5	37%	0.374	18%	0.18	S	C	.	.			trans	-123.5	-170.7	158.8	73.1	32.9	0	0	0	110.3	K511 N543 L544	K511-N541 PolarHBondContact NZ-O 3.41Å; N541-N543 VanDerWaalsContact C-N 3.29Å; N541-N543 PolarHBondContact O-N 3.36Å; N541-N543 PolarHBondContact OD1-N 2.92Å; N541-L544 PolarHBondContact N-O 2.85Å; N541-L544 PolarHBondContact OD1-N 3.44Å
542	E	78.6	Confident	91.4	Very high	146 Å²	146	37.6 Å²	37.6	68%	0.682	18%	0.181	S	C	*	.	S	Bend	trans	-58	-41.2	-175.3	-57.6	-163.9	132.6	0	0	112.6	K511	K511-E542 WeakPolarHBondContact CE-O 3.24Å; K511-E542 PolarHBondContact NZ-O 3.01Å
543	N	84.5	Confident	91.2	Very high	109 Å²	109	43.3 Å²	43.3	58%	0.583	21%	0.205	S	C	*	.	S	Bend	trans	-109.3	-22.1	-170.3	-61.3	-26.6	0	0	0	114.3	K511 N541	K511-N543 WeakPolarHBondContact CB-O 3.37Å; K511-N543 PolarHBondContact N-O 2.69Å; N541-N543 VanDerWaalsContact C-N 3.29Å; N541-N543 PolarHBondContact O-N 3.36Å; N541-N543 PolarHBondContact OD1-N 2.92Å
544	L	89.8	Confident	90.9	Very high	49 Å²	49	43.5 Å²	43.5	26%	0.257	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	143.9	-169.7	-58.9	175.7	0	0	0	112.6	I508 I509 D510 N541 Y546	I508-L544 HydrophobicContact CG2-CB 4.39Å; I508-L544 HydrophobicContact CG2-CD1 4.08Å; I508-L544 HydrophobicContact CG2-CD2 4.24Å; I508-L544 HydrophobicContact CG2-CG 4.48Å; I509-L544 WeakPolarHBondContact O-CA 3.34Å; D510-L544 HydrophobicContact CB-CD2 4.49Å; N541-L544 PolarHBondContact N-O 2.85Å; N541-L544 PolarHBondContact OD1-N 3.44Å; L544-Y546 HydrophobicContact CB-CD2 4.42Å; L544-Y546 HydrophobicContact CB-CE2 3.78Å; L544-Y546 HydrophobicContact CD1-CE2 4.33Å; L544-Y546 WeakPolarHBondContact CD1-OH 3.27Å
545	V	91	Very high	90.7	Very high	3 Å²	3	42.9 Å²	42.9	2%	0.018	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.7	163.2	177	0	0	0	0	108.7	L463 I508 I509 K511 A516 V520 V538 Y539	L463-V545 HydrophobicContact CD1-CG1 3.9Å; L463-V545 HydrophobicContact CD1-CG2 4.03Å; I508-V545 CarbonylContact C-O 3.54Å; I508-V545 WeakPolarHBondContact CA-O 3.25Å; I509-V545 HydrophobicContact CB-CB 4.44Å; I509-V545 PolarHBondContact N-O 3.3Å; I509-V545 PolarHBondContact O-N 3.29Å; K511-V545 HydrophobicContact CD-CG2 3.91Å; K511-V545 HydrophobicContact CG-CG2 3.86Å; A516-V545 HydrophobicContact CB-CB 4.33Å; A516-V545 HydrophobicContact CB-CG1 4.37Å; A516-V545 HydrophobicContact CB-CG2 4.24Å; V520-V545 HydrophobicContact CG2-CG1 4.4Å; V538-V545 HydrophobicContact CG1-CG1 4.17Å; Y539-V545 CarbonylContact O-C 3.57Å; Y539-V545 WeakPolarHBondContact O-CA 3.46Å
546	Y	94.8	Very high	90.6	Very high	42 Å²	42	44.3 Å²	44.3	17%	0.165	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	110.6	174.4	-58.3	-108	0	0	0	108.6	F474 V506 I508 V538 Y539 L544	F474-Y546 HydrophobicContact CB-CD1 3.98Å; F474-Y546 HydrophobicContact CB-CD2 4.35Å; F474-Y546 HydrophobicContact CB-CE1 4.19Å; F474-Y546 HydrophobicContact CB-CG 4.08Å; F474-Y546 HydrophobicContact CD1-CD1 4.03Å; F474-Y546 HydrophobicContact CD1-CE1 4.12Å; F474-Y546 HydrophobicContact CD2-CD1 4.09Å; F474-Y546 HydrophobicContact CD2-CG 4.33Å; F474-Y546 AromaticContact CG-CD1 3.76Å; F474-Y546 HydrophobicContact CG-CD1 3.76Å; F474-Y546 HydrophobicContact CG-CE1 4.18Å; F474-Y546 HydrophobicContact CG-CG 4.19Å; V506-Y546 HydrophobicContact CG2-CD1 4.14Å; I508-Y546 HydrophobicContact CB-CD1 4.48Å; I508-Y546 HydrophobicContact CD1-CD1 4.11Å; I508-Y546 HydrophobicContact CD1-CE1 3.89Å; I508-Y546 HydrophobicContact CG1-CD1 3.77Å; I508-Y546 HydrophobicContact CG1-CE1 3.99Å; I508-Y546 HydrophobicContact CG2-CD1 4.17Å; I508-Y546 HydrophobicContact CG2-CE1 3.93Å; V538-Y546 WeakPolarHBondContact CA-O 3.06Å; Y539-Y546 PolarHBondContact N-O 3.3Å; Y539-Y546 PolarHBondContact O-N 3.47Å; L544-Y546 HydrophobicContact CB-CD2 4.42Å; L544-Y546 HydrophobicContact CB-CE2 3.78Å; L544-Y546 HydrophobicContact CD1-CE2 4.33Å; L544-Y546 WeakPolarHBondContact CD1-OH 3.27Å
547	L	93.6	Very high	90.3	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	102.7	177.8	-176.1	63.2	0	0	0	108.9	V506 K507 E519 V520 L523 V535 V538 M549	V506-L547 WeakPolarHBondContact CA-O 3.01Å; K507-L547 HydrophobicContact CB-CB 4.33Å; K507-L547 PolarHBondContact N-O 3.42Å; K507-L547 PolarHBondContact O-N 2.83Å; E519-L547 HydrophobicContact CG-CD2 4.42Å; V520-L547 HydrophobicContact CG2-CD1 4.3Å; L523-L547 HydrophobicContact CD1-CD2 3.72Å; V535-L547 HydrophobicContact CB-CD1 4.33Å; V535-L547 HydrophobicContact CG1-CD1 3.7Å; V535-L547 HydrophobicContact CG2-CD1 3.58Å; V535-L547 HydrophobicContact CG2-CG 4.15Å; V538-L547 HydrophobicContact CG2-CD1 3.91Å; L547-M549 HydrophobicContact CD2-SD 4.08Å; L547-M549 HydrophobicContact CG-CG 4.13Å; L547-M549 HydrophobicContact CG-SD 4.23Å
548	V	95.3	Very high	89.7	Confident	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	123	179.4	-170.2	0	0	0	0	109.3	F474 Y478 C504 C505 V506 R536 D537 Y539	F474-V548 HydrophobicContact CD2-CG2 4.2Å; F474-V548 HydrophobicContact CE2-CG2 3.76Å; Y478-V548 HydrophobicContact CE1-CG1 3.86Å; Y478-V548 HydrophobicContact CE2-CG1 4.44Å; Y478-V548 HydrophobicContact CE2-CG2 4.29Å; C504-V548 HydrophobicContact CB-CG1 3.81Å; C505-V548 CarbonylContact O-C 3Å; C505-V548 WeakPolarHBondContact O-CA 3.47Å; V506-V548 HydrophobicContact CB-CG2 4.41Å; V506-V548 HydrophobicContact CG2-CG2 4.07Å; R536-V548 PolarHBondContact N-O 3.09Å; D537-V548 HydrophobicContact CB-CB 4.05Å; D537-V548 HydrophobicContact CB-CG2 4.15Å; D537-V548 PolarHBondContact N-O 3.11Å; D537-V548 WeakPolarHBondContact O-CA 3.39Å; D537-V548 WeakPolarHBondContact O-CB 3.11Å; D537-V548 PolarHBondContact O-N 3.4Å; Y539-V548 HydrophobicContact CD2-CG2 4.16Å; Y539-V548 HydrophobicContact CE2-CG2 3.92Å
549	M	94.5	Very high	89.1	Confident	17 Å²	17	40.1 Å²	40.1	8%	0.084	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	165.9	-174.5	-63.3	173.4	-65.2	0	0	110.4	C504 C505 K507 V533 S534 V535 L547	C504-M549 WeakPolarHBondContact CB-O 3.39Å; C505-M549 PolarHBondContact N-O 2.76Å; C505-M549 PolarHBondContact O-N 3.41Å; K507-M549 HydrophobicContact CB-CE 3.73Å; V533-M549 HydrophobicContact CG1-SD 4.28Å; V533-M549 HydrophobicContact CG2-CB 4.03Å; V533-M549 HydrophobicContact CG2-CG 4.42Å; V533-M549 HydrophobicContact CG2-SD 4.25Å; S534-M549 VanDerWaalsContact O-CA 3.22Å; S534-M549 WeakPolarHBondContact O-CA 3.34Å; V535-M549 HydrophobicContact CG2-CG 4Å; L547-M549 HydrophobicContact CD2-SD 4.08Å; L547-M549 HydrophobicContact CG-CG 4.13Å; L547-M549 HydrophobicContact CG-SD 4.23Å
550	E	93.5	Very high	88.2	Confident	45 Å²	45	40.7 Å²	40.7	21%	0.21	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.4	148.1	166.4	66.2	-175.5	115.3	0	0	111.7	V533 S534 L552 R614	V533-E550 HydrophobicContact CG2-CG 3.93Å; S534-E550 WeakPolarHBondContact CB-OE1 3.47Å; S534-E550 PolarHBondContact N-OE1 3.32Å; S534-E550 PolarHBondContact O-N 3.39Å; S534-E550 VanDerWaalsContact O-N 3.09Å; S534-E550 PolarHBondContact OG-OE1 2.79Å; E550-L552 HydrophobicContact CG-CD2 3.63Å; E550-L552 HydrophobicContact CG-CG 4.36Å; E550-R614 IonicContact OE1-NE 2.76Å; E550-R614 IonicContact OE2-NE 3.67Å
551	Y	94.1	Very high	87.4	Confident	78 Å²	78	40.8 Å²	40.8	31%	0.306	20%	0.202	S	C	.	.			trans	-91.5	108.5	175.5	178.3	-97.5	0	0	0	109.7	I484 K494 V503 C505 K553	I484-Y551 HydrophobicContact CD1-CD2 4.25Å; I484-Y551 HydrophobicContact CD1-CE2 3.89Å; K494-Y551 HydrophobicContact CD-CE2 4.18Å; K494-Y551 HydrophobicContact CG-CD2 4.07Å; K494-Y551 HydrophobicContact CG-CE2 4.02Å; V503-Y551 HydrophobicContact CG1-CD1 4.06Å; V503-Y551 HydrophobicContact CG1-CD2 4.36Å; V503-Y551 HydrophobicContact CG1-CG 3.89Å; C505-Y551 HydrophobicContact CB-CD2 4.48Å; Y551-K553 HydrophobicContact CD1-CB 4.12Å; Y551-K553 HydrophobicContact CE1-CB 3.94Å; Y551-K553 HydrophobicContact CE1-CG 4.08Å; Y551-K553 PolarHBondContact O-N 3.35Å; Y551-K553 VanDerWaalsContact O-N 3.11Å
552	L	93.4	Very high	86.7	Confident	19 Å²	19	38.2 Å²	38.2	10%	0.099	19%	0.188	C	C	.	.			trans	-80.1	90.4	-176.9	-56.6	179.8	0	0	0	110.2	V533 E550 G554 L602 Y603 A604 R614 C616	V533-L552 HydrophobicContact CG2-CD1 4.21Å; E550-L552 HydrophobicContact CG-CD2 3.63Å; E550-L552 HydrophobicContact CG-CG 4.36Å; L552-G554 PolarHBondContact O-N 2.88Å; L552-L602 HydrophobicContact CB-CB 4.06Å; L552-L602 HydrophobicContact CB-CD2 3.96Å; L552-L602 HydrophobicContact CD1-CB 3.74Å; L552-L602 HydrophobicContact CD1-CD2 4.09Å; L552-Y603 CarbonylContact C-O 3.51Å; L552-A604 HydrophobicContact CD2-CB 3.96Å; L552-R614 HydrophobicContact CD1-CB 3.97Å; L552-R614 HydrophobicContact CD1-CG 4.4Å; L552-R614 HydrophobicContact CD2-CB 4.13Å; L552-R614 HydrophobicContact CD2-CG 3.64Å; L552-C616 HydrophobicContact CD1-CB 4.32Å
553	K	91.5	Very high	86.3	Confident	122 Å²	122	39.2 Å²	39.2	53%	0.53	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-32.4	-167.8	-171.6	-174	178.2	-153.2	0	113.4	Y551 G555 A604 D606	Y551-K553 HydrophobicContact CD1-CB 4.12Å; Y551-K553 HydrophobicContact CE1-CB 3.94Å; Y551-K553 HydrophobicContact CE1-CG 4.08Å; Y551-K553 PolarHBondContact O-N 3.35Å; Y551-K553 VanDerWaalsContact O-N 3.11Å; K553-G555 PolarHBondContact O-N 2.92Å; K553-A604 PolarHBondContact N-O 3.31Å; K553-D606 WeakPolarHBondContact CD-OD2 3.34Å; K553-D606 WeakPolarHBondContact CE-OD2 3.43Å; K553-D606 IonicContact NZ-OD2 3.37Å; K553-D606 PolarHBondContact NZ-OD2 2.81Å
554	G	88	Confident	85.5	Confident	6 Å²	6	39.2 Å²	39.2	6%	0.062	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-12.6	-173.2	0	0	0	0	0	115.3	L552 Y603 D605	L552-G554 PolarHBondContact O-N 2.88Å; G554-Y603 WeakPolarHBondContact CA-O 3.43Å; G554-Y603 PolarHBondContact N-O 3.3Å; G554-D605 VanDerWaalsContact CA-O 3.24Å; G554-D605 WeakPolarHBondContact CA-O 3.49Å
555	G	88.3	Confident	84.2	Confident	25 Å²	25	43.2 Å²	43.2	26%	0.258	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	78.7	-169.9	178.5	0	0	0	0	0	113.8	K553 L602 Y603	K553-G555 PolarHBondContact O-N 2.92Å; G555-L602 CarbonylContact O-C 3.47Å; G555-L602 VanDerWaalsContact O-CA 3.23Å; G555-L602 WeakPolarHBondContact O-CA 3.49Å; G555-L602 WeakPolarHBondContact O-CB 3.37Å; G555-Y603 PolarHBondContact O-N 3.49Å
556	E	88.2	Confident	83.2	Confident	46 Å²	46	45.5 Å²	45.5	22%	0.215	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	145.8	-176	-61.8	178.4	-164.4	0	0	112.5	L558 D559 K560 L602 K758	E556-L558 VanDerWaalsContact C-N 3.32Å; E556-L558 PolarHBondContact O-N 3.38Å; E556-D559 HydrophobicContact CB-CB 4.44Å; E556-D559 PolarHBondContact O-N 2.76Å; E556-D559 VanDerWaalsContact O-N 3.14Å; E556-K560 PolarHBondContact O-N 2.77Å; E556-L602 HydrophobicContact CG-CD1 4.12Å; E556-L602 HydrophobicContact CG-CG 4.4Å; E556-K758 VanDerWaalsContact CD-NZ 3.32Å; E556-K758 IonicContact OE1-NZ 2.73Å; E556-K758 WeakPolarHBondContact OE2-CE 3.42Å; E556-K758 IonicContact OE2-NZ 3.37Å; E556-K758 PolarHBondContact OE2-NZ 3.32Å
557	L	85	Confident	82.5	Confident	0 Å²	0	44 Å²	44	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-49.8	-50.2	177.9	172.2	60.7	0	0	0	112.4	K560 I561 I575 I579 V601 Y603 L613 I663 M667	L557-K560 PolarHBondContact O-N 3.16Å; L557-I561 HydrophobicContact CD1-CD1 3.61Å; L557-I561 HydrophobicContact CD1-CG1 4.27Å; L557-I561 HydrophobicContact CG-CD1 3.77Å; L557-I561 WeakPolarHBondContact O-CG1 3.37Å; L557-I561 PolarHBondContact O-N 3.11Å; L557-I561 VanDerWaalsContact O-N 3.14Å; L557-I575 HydrophobicContact CD1-CD1 4.18Å; L557-I575 HydrophobicContact CD1-CG1 4.48Å; L557-I575 HydrophobicContact CD1-CG2 3.91Å; L557-I575 HydrophobicContact CD2-CG2 3.74Å; L557-I575 HydrophobicContact CG-CG2 4.47Å; L557-I579 HydrophobicContact CD2-CD1 4.1Å; L557-V601 HydrophobicContact CB-CB 4.31Å; L557-V601 HydrophobicContact CB-CG1 4.13Å; L557-V601 VanDerWaalsContact CB-O 3.32Å; L557-V601 WeakPolarHBondContact CB-O 3.49Å; L557-V601 HydrophobicContact CD2-CB 4.4Å; L557-V601 HydrophobicContact CD2-CG1 3.89Å; L557-V601 PolarHBondContact N-O 3.44Å; L557-Y603 HydrophobicContact CD1-CE2 3.81Å; L557-L613 HydrophobicContact CD1-CD2 4.06Å; L557-I663 HydrophobicContact CD2-CG2 4.21Å; L557-M667 HydrophobicContact CD2-SD 4.31Å
558	L	79.1	Confident	82.2	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-68.7	-35.5	-178.3	-74.1	-176.1	0	0	0	112.9	E556 K560 I561 F562 P598 T666 M667 V761	E556-L558 VanDerWaalsContact C-N 3.32Å; E556-L558 PolarHBondContact O-N 3.38Å; L558-K560 PolarHBondContact O-N 2.92Å; L558-I561 HydrophobicContact CD2-CD1 4.19Å; L558-I561 PolarHBondContact O-N 2.91Å; L558-F562 HydrophobicContact CB-CD2 3.99Å; L558-F562 HydrophobicContact CB-CE2 3.93Å; L558-F562 HydrophobicContact CD1-CE2 4.2Å; L558-F562 HydrophobicContact CD2-CE2 3.94Å; L558-F562 HydrophobicContact CG-CE2 4.24Å; L558-F562 WeakPolarHBondContact O-CB 3.39Å; L558-F562 WeakPolarHBondContact O-CD2 3.36Å; L558-F562 PolarHBondContact O-N 3.44Å; L558-P598 HydrophobicContact CB-CB 4.43Å; L558-P598 HydrophobicContact CD1-CB 3.52Å; L558-P598 HydrophobicContact CD1-CG 3.47Å; L558-P598 VanDerWaalsContact CD1-CG 3.47Å; L558-P598 HydrophobicContact CG-CB 3.81Å; L558-P598 HydrophobicContact CG-CG 4.06Å; L558-T666 HydrophobicContact CD1-CG2 4.06Å; L558-T666 HydrophobicContact CD2-CG2 4.18Å; L558-M667 HydrophobicContact CD2-CG 4.49Å; L558-V761 HydrophobicContact CD1-CG2 4.45Å
559	D	80.6	Confident	81.9	Confident	55 Å²	55	44.5 Å²	44.5	29%	0.294	20%	0.204	S	C	.	.	H	α-helix	trans	-61.9	-34.4	176.5	-78.3	-36.9	0	0	0	112.4	E556 R563 K758	E556-D559 HydrophobicContact CB-CB 4.44Å; E556-D559 PolarHBondContact O-N 2.76Å; E556-D559 VanDerWaalsContact O-N 3.14Å; D559-R563 WeakPolarHBondContact O-CB 3.05Å; D559-R563 PolarHBondContact O-N 3.07Å; D559-K758 WeakPolarHBondContact OD1-CE 3.46Å; D559-K758 IonicContact OD1-NZ 2.71Å; D559-K758 PolarHBondContact OD1-NZ 3.19Å; D559-K758 IonicContact OD2-NZ 3.81Å; D559-K758 PolarHBondContact OD2-NZ 3.49Å
560	K	75.5	Confident	81.8	Confident	15 Å²	15	47.2 Å²	47.2	7%	0.065	21%	0.214	C	C	.	.	H	α-helix	trans	-70.8	-51.4	175.2	-169.6	157.2	-168.2	149.9	0	111.2	E556 L557 L558 F562 R563 E564 Y603 D606 S607	E556-K560 PolarHBondContact O-N 2.77Å; L557-K560 PolarHBondContact O-N 3.16Å; L558-K560 PolarHBondContact O-N 2.92Å; K560-F562 PolarHBondContact O-N 3.43Å; K560-R563 PolarHBondContact O-N 3.39Å; K560-E564 WeakPolarHBondContact CE-OE1 3.39Å; K560-E564 WeakPolarHBondContact CG-OE1 3.18Å; K560-E564 IonicContact NZ-OE1 2.63Å; K560-E564 PolarHBondContact O-N 3.26Å; K560-Y603 HydrophobicContact CB-CD2 4.17Å; K560-Y603 HydrophobicContact CB-CE2 3.81Å; K560-Y603 HydrophobicContact CD-CD2 3.93Å; K560-Y603 HydrophobicContact CD-CE2 3.77Å; K560-Y603 HydrophobicContact CD-CG 4.43Å; K560-Y603 HydrophobicContact CG-CE2 4.2Å; K560-D606 PolarHBondContact NZ-O 3.26Å; K560-S607 VanDerWaalsContact NZ-C 3.34Å; K560-S607 PolarHBondContact NZ-O 2.99Å
561	I	71.3	Confident	81.6	Confident	9 Å²	9	48.4 Å²	48.4	5%	0.046	22%	0.219	C	C	.	.	H	α-helix	trans	-53.7	-52.3	178.6	-70.2	167.2	0	0	0	112	L557 L558 R563 E564 K565 L567 I575 M667	L557-I561 HydrophobicContact CD1-CD1 3.61Å; L557-I561 HydrophobicContact CD1-CG1 4.27Å; L557-I561 HydrophobicContact CG-CD1 3.77Å; L557-I561 WeakPolarHBondContact O-CG1 3.37Å; L557-I561 PolarHBondContact O-N 3.11Å; L557-I561 VanDerWaalsContact O-N 3.14Å; L558-I561 HydrophobicContact CD2-CD1 4.19Å; L558-I561 PolarHBondContact O-N 2.91Å; I561-R563 VanDerWaalsContact C-N 3.28Å; I561-R563 PolarHBondContact O-N 2.82Å; I561-E564 CarbonylContact O-C 3.52Å; I561-E564 PolarHBondContact O-N 2.81Å; I561-K565 PolarHBondContact O-N 3.28Å; I561-L567 HydrophobicContact CD1-CD1 3.77Å; I561-L567 HydrophobicContact CG1-CD1 3.88Å; I561-L567 HydrophobicContact CG1-CD2 4.17Å; I561-L567 HydrophobicContact CG1-CG 4.16Å; I561-L567 HydrophobicContact CG2-CD1 4.09Å; I561-L567 HydrophobicContact CG2-CD2 4.47Å; I561-L567 HydrophobicContact CG2-CG 3.86Å; I561-I575 HydrophobicContact CD1-CD1 4.24Å; I561-M667 HydrophobicContact CD1-CG 3.85Å; I561-M667 HydrophobicContact CD1-SD 3.82Å
562	F	69.9	Low	81.5	Confident	16 Å²	16	44.7 Å²	44.7	7%	0.07	21%	0.205	C	C	.	.	H	α-helix	trans	-68.6	-26.7	-176.3	-76.4	-63.5	0	0	0	113.3	L558 K560 K565 T666 L751 V754 T757	L558-F562 HydrophobicContact CB-CD2 3.99Å; L558-F562 HydrophobicContact CB-CE2 3.93Å; L558-F562 HydrophobicContact CD1-CE2 4.2Å; L558-F562 HydrophobicContact CD2-CE2 3.94Å; L558-F562 HydrophobicContact CG-CE2 4.24Å; L558-F562 WeakPolarHBondContact O-CB 3.39Å; L558-F562 WeakPolarHBondContact O-CD2 3.36Å; L558-F562 PolarHBondContact O-N 3.44Å; K560-F562 PolarHBondContact O-N 3.43Å; F562-K565 WeakPolarHBondContact O-CA 3.47Å; F562-K565 PolarHBondContact O-N 2.76Å; F562-T666 HydrophobicContact CZ-CG2 4.47Å; F562-L751 HydrophobicContact CD1-CD2 4.14Å; F562-L751 HydrophobicContact CE1-CD2 3.98Å; F562-V754 HydrophobicContact CB-CB 4.21Å; F562-V754 HydrophobicContact CB-CG1 3.72Å; F562-V754 HydrophobicContact CB-CG2 3.56Å; F562-V754 HydrophobicContact CD1-CG2 4.44Å; F562-V754 HydrophobicContact CD2-CG1 3.71Å; F562-V754 HydrophobicContact CG-CB 4.35Å; F562-V754 HydrophobicContact CG-CG1 3.88Å; F562-V754 HydrophobicContact CG-CG2 4.01Å; F562-T757 HydrophobicContact CE2-CG2 4.2Å; F562-T757 HydrophobicContact CZ-CG2 3.7Å
563	R	71.2	Confident	81.6	Confident	167 Å²	167	43.8 Å²	43.8	63%	0.63	20%	0.2	S	C	*	.	H	α-helix	trans	-74.4	-34.1	174.6	170	169	38.9	173.4	-5	112.4	D559 K560 I561 K565	D559-R563 WeakPolarHBondContact O-CB 3.05Å; D559-R563 PolarHBondContact O-N 3.07Å; K560-R563 PolarHBondContact O-N 3.39Å; I561-R563 VanDerWaalsContact C-N 3.28Å; I561-R563 PolarHBondContact O-N 2.82Å; R563-K565 PolarHBondContact O-N 2.79Å
564	E	67.7	Low	81.7	Confident	109 Å²	109	39.6 Å²	39.6	51%	0.509	18%	0.183	S	C	.	.	S	Bend	trans	-79.9	-0.9	170.9	-70.5	166.7	-160.3	0	0	112.3	K560 I561 F566	K560-E564 WeakPolarHBondContact CE-OE1 3.39Å; K560-E564 WeakPolarHBondContact CG-OE1 3.18Å; K560-E564 IonicContact NZ-OE1 2.63Å; K560-E564 PolarHBondContact O-N 3.26Å; I561-E564 CarbonylContact O-C 3.52Å; I561-E564 PolarHBondContact O-N 2.81Å; E564-F566 VanDerWaalsContact C-N 3.27Å; E564-F566 PolarHBondContact O-N 2.56Å
565	K	62.6	Low	81.9	Confident	133 Å²	133	39.4 Å²	39.4	58%	0.578	18%	0.181	S	C	*	.			trans	73.1	-53.9	174.2	-56.6	178.4	174.7	176.5	0	114.5	I561 F562 R563 L751	I561-K565 PolarHBondContact O-N 3.28Å; F562-K565 WeakPolarHBondContact O-CA 3.47Å; F562-K565 PolarHBondContact O-N 2.76Å; R563-K565 PolarHBondContact O-N 2.79Å; K565-L751 WeakPolarHBondContact O-CD1 3.47Å
566	F	68.5	Low	82.3	Confident	52 Å²	52	38.2 Å²	38.2	23%	0.228	17%	0.169	C	C	.	.			trans	-135.9	146.2	-175.9	-58.1	-76.3	0	0	0	110.7	E564 L745 L746 T747 L751	E564-F566 VanDerWaalsContact C-N 3.27Å; E564-F566 PolarHBondContact O-N 2.56Å; F566-L745 HydrophobicContact CB-CB 4.01Å; F566-L745 HydrophobicContact CB-CD2 4.38Å; F566-L745 WeakPolarHBondContact O-CD2 3.35Å; F566-L746 VanDerWaalsContact CD1-O 3.25Å; F566-L746 WeakPolarHBondContact CD1-O 3.39Å; F566-T747 HydrophobicContact CD2-CG2 3.96Å; F566-T747 WeakPolarHBondContact CE1-O 3.41Å; F566-T747 HydrophobicContact CE2-CG2 4.2Å; F566-T747 HydrophobicContact CG-CG2 4.32Å; F566-T747 VanDerWaalsContact CZ-O 3.3Å; F566-T747 WeakPolarHBondContact CZ-O 3.49Å; F566-L751 HydrophobicContact CD1-CD1 4.24Å; F566-L751 HydrophobicContact CD1-CG 4.48Å; F566-L751 HydrophobicContact CE1-CD1 3.77Å; F566-L751 HydrophobicContact CE1-CD2 4.44Å; F566-L751 HydrophobicContact CE1-CG 3.94Å; F566-L751 HydrophobicContact CZ-CD1 4.01Å
567	L	80.1	Confident	82.7	Confident	10 Å²	10	39.8 Å²	39.8	5%	0.052	17%	0.173	C	C	.	.			trans	-98.9	152.8	160.7	-67.3	-176.5	0	0	0	109.7	I561 E571 A572 I575 M667 L746	I561-L567 HydrophobicContact CD1-CD1 3.77Å; I561-L567 HydrophobicContact CG1-CD1 3.88Å; I561-L567 HydrophobicContact CG1-CD2 4.17Å; I561-L567 HydrophobicContact CG1-CG 4.16Å; I561-L567 HydrophobicContact CG2-CD1 4.09Å; I561-L567 HydrophobicContact CG2-CD2 4.47Å; I561-L567 HydrophobicContact CG2-CG 3.86Å; L567-E571 HydrophobicContact CB-CB 4.34Å; L567-E571 HydrophobicContact CD2-CB 3.94Å; L567-A572 HydrophobicContact CD1-CB 4.25Å; L567-I575 HydrophobicContact CD1-CD1 3.76Å; L567-M667 HydrophobicContact CD1-CB 4.15Å; L567-M667 HydrophobicContact CD1-CG 4.35Å; L567-M667 HydrophobicContact CD1-SD 4.21Å; L567-L746 VanDerWaalsContact O-CB 3.32Å; L567-L746 WeakPolarHBondContact O-CB 3.28Å; L567-L746 VanDerWaalsContact O-CG 3.22Å; L567-L746 WeakPolarHBondContact O-CG 3.32Å; L567-L746 PolarHBondContact O-N 3.23Å
568	S	87	Confident	83.2	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.014	18%	0.178	C	C	.	.	B	Isolated β-bridge	trans	-77.9	161.6	156.4	65.2	0	0	0	0	111.3	R570 E571 A572 P743 E744	S568-R570 PolarHBondContact O-N 3.16Å; S568-E571 VanDerWaalsContact CB-OE2 3.28Å; S568-E571 WeakPolarHBondContact CB-OE2 3.34Å; S568-E571 PolarHBondContact N-OE2 3.42Å; S568-E571 PolarHBondContact O-N 3.43Å; S568-E571 VanDerWaalsContact OG-CD 3.27Å; S568-E571 WeakPolarHBondContact OG-CG 3.21Å; S568-E571 PolarHBondContact OG-N 3.24Å; S568-E571 PolarHBondContact OG-OE2 2.94Å; S568-A572 PolarHBondContact O-N 2.95Å; S568-A572 VanDerWaalsContact O-N 3.12Å; S568-P743 VanDerWaalsContact CB-C 3.45Å; S568-P743 WeakPolarHBondContact CB-O 3.48Å; S568-E744 VanDerWaalsContact CA-O 3.31Å; S568-E744 WeakPolarHBondContact CA-O 3.31Å; S568-E744 VanDerWaalsContact CB-O 3.24Å; S568-E744 WeakPolarHBondContact CB-O 3.44Å
569	E	90.1	Very high	84	Confident	9 Å²	9	40.7 Å²	40.7	4%	0.042	18%	0.179	C	C	.	.	H	α-helix	trans	-61.3	-32.9	174.9	-161.3	177.4	146.7	0	0	111.5	S573 L668 S705 W734	E569-S573 WeakPolarHBondContact O-CB 3.49Å; E569-S573 PolarHBondContact O-N 3.48Å; E569-L668 HydrophobicContact CG-CD2 4.25Å; E569-S705 WeakPolarHBondContact OE1-CB 3.42Å; E569-S705 PolarHBondContact OE1-N 2.92Å; E569-S705 PolarHBondContact OE1-OG 3.18Å; E569-S705 PolarHBondContact OE2-N 2.93Å; E569-W734 HydrophobicContact CG-CZ2 3.75Å; E569-W734 PolarHBondContact OE1-NE1 2.77Å
570	R	92.1	Very high	84.8	Confident	73 Å²	73	38 Å²	38	28%	0.275	17%	0.165	S	C	.	.	H	α-helix	trans	-60.6	-47.4	172.8	179.9	-177.4	-64.8	-124.3	-5.7	112.9	S568 S573 N574 D739 L741 S742	S568-R570 PolarHBondContact O-N 3.16Å; R570-S573 PolarHBondContact O-N 2.89Å; R570-N574 PolarHBondContact O-N 2.86Å; R570-N574 PolarHBondContact O-ND2 3.29Å; R570-D739 PolarHBondContact NH1-O 3.41Å; R570-D739 PolarHBondContact NH2-O 3.32Å; R570-L741 HydrophobicContact CB-CB 4.13Å; R570-L741 VanDerWaalsContact CZ-O 3.29Å; R570-L741 PolarHBondContact NE-O 2.76Å; R570-L741 PolarHBondContact NH2-O 3.01Å; R570-S742 WeakPolarHBondContact CB-O 3.27Å; R570-S742 PolarHBondContact N-O 2.86Å
571	E	89.6	Confident	85.9	Confident	70 Å²	70	40.1 Å²	40.1	33%	0.327	18%	0.176	S	C	.	.	H	α-helix	trans	-68.4	-44.9	-179.2	-71.3	155.8	137.4	0	0	111.6	L567 S568 S573 N574 I575	L567-E571 HydrophobicContact CB-CB 4.34Å; L567-E571 HydrophobicContact CD2-CB 3.94Å; S568-E571 VanDerWaalsContact CB-OE2 3.28Å; S568-E571 WeakPolarHBondContact CB-OE2 3.34Å; S568-E571 PolarHBondContact N-OE2 3.42Å; S568-E571 PolarHBondContact O-N 3.43Å; S568-E571 VanDerWaalsContact OG-CD 3.27Å; S568-E571 WeakPolarHBondContact OG-CG 3.21Å; S568-E571 PolarHBondContact OG-N 3.24Å; S568-E571 PolarHBondContact OG-OE2 2.94Å; E571-S573 PolarHBondContact O-N 3.49Å; E571-N574 PolarHBondContact O-N 3.14Å; E571-N574 VanDerWaalsContact O-N 3.09Å; E571-I575 WeakPolarHBondContact O-CG1 3.21Å; E571-I575 PolarHBondContact O-N 2.93Å
572	A	91.3	Very high	87.1	Confident	0 Å²	0	39.7 Å²	39.7	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-56.9	-38	173.1	0	0	0	0	0	111.7	L567 S568 T576 M667 L668 W734	L567-A572 HydrophobicContact CD1-CB 4.25Å; S568-A572 PolarHBondContact O-N 2.95Å; S568-A572 VanDerWaalsContact O-N 3.12Å; A572-T576 WeakPolarHBondContact O-CB 3.12Å; A572-T576 PolarHBondContact O-N 2.82Å; A572-T576 PolarHBondContact O-OG1 3.49Å; A572-M667 HydrophobicContact CB-CB 4.31Å; A572-L668 HydrophobicContact CB-CD2 3.57Å; A572-L668 HydrophobicContact CB-CG 4.23Å; A572-W734 HydrophobicContact CB-CH2 4.27Å
573	S	95.2	Very high	88.3	Confident	0 Å²	0	39 Å²	39	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-69.4	-37.4	174.9	-176.1	0	0	0	0	113.7	E569 R570 E571 Y577 W734 R738 L741	E569-S573 WeakPolarHBondContact O-CB 3.49Å; E569-S573 PolarHBondContact O-N 3.48Å; R570-S573 PolarHBondContact O-N 2.89Å; E571-S573 PolarHBondContact O-N 3.49Å; S573-Y577 WeakPolarHBondContact O-CB 3.2Å; S573-Y577 PolarHBondContact O-N 2.92Å; S573-W734 VanDerWaalsContact CA-CZ3 3.46Å; S573-W734 PolarHBondContact OG-O 2.9Å; S573-R738 WeakPolarHBondContact OG-CB 3.48Å; S573-L741 VanDerWaalsContact CB-CD1 3.42Å
574	N	93.8	Very high	89.4	Confident	34 Å²	34	32.1 Å²	32.1	18%	0.182	15%	0.149	C	C	.	.	H	α-helix	trans	-66.9	-41.7	176.2	-77.9	-37.7	0	0	0	112	R570 E571 Y577 V578 I610 R738	R570-N574 PolarHBondContact O-N 2.86Å; R570-N574 PolarHBondContact O-ND2 3.29Å; E571-N574 PolarHBondContact O-N 3.14Å; E571-N574 VanDerWaalsContact O-N 3.09Å; N574-Y577 WeakPolarHBondContact O-CB 3.2Å; N574-Y577 PolarHBondContact O-N 2.79Å; N574-V578 PolarHBondContact O-N 2.82Å; N574-V578 VanDerWaalsContact O-N 3.16Å; N574-I610 HydrophobicContact CB-CD1 3.8Å; N574-I610 HydrophobicContact CB-CG2 4.33Å; N574-R738 WeakPolarHBondContact OD1-CD 3.39Å; N574-R738 PolarHBondContact OD1-NE 2.82Å; N574-R738 VanDerWaalsContact OD1-NE 3.13Å
575	I	93.5	Very high	90.7	Very high	3 Å²	3	30.4 Å²	30.4	2%	0.015	14%	0.138	C	C	.	.	H	α-helix	trans	-64.2	-46.5	175	-63.6	157.4	0	0	0	110.2	L557 I561 L567 E571 Y577 V578 I579 I610 L613 M667	L557-I575 HydrophobicContact CD1-CD1 4.18Å; L557-I575 HydrophobicContact CD1-CG1 4.48Å; L557-I575 HydrophobicContact CD1-CG2 3.91Å; L557-I575 HydrophobicContact CD2-CG2 3.74Å; L557-I575 HydrophobicContact CG-CG2 4.47Å; I561-I575 HydrophobicContact CD1-CD1 4.24Å; L567-I575 HydrophobicContact CD1-CD1 3.76Å; E571-I575 WeakPolarHBondContact O-CG1 3.21Å; E571-I575 PolarHBondContact O-N 2.93Å; I575-Y577 VanDerWaalsContact C-N 3.28Å; I575-Y577 PolarHBondContact O-N 2.93Å; I575-V578 PolarHBondContact O-N 2.82Å; I575-I579 HydrophobicContact CG2-CD1 3.94Å; I575-I579 WeakPolarHBondContact O-CG1 3.31Å; I575-I579 PolarHBondContact O-N 3.11Å; I575-I579 VanDerWaalsContact O-N 3.12Å; I575-I610 HydrophobicContact CG1-CG1 4.3Å; I575-L613 HydrophobicContact CG1-CD1 4.43Å; I575-L613 HydrophobicContact CG2-CD1 4.09Å; I575-M667 HydrophobicContact CB-CE 4.16Å; I575-M667 HydrophobicContact CB-SD 4.02Å; I575-M667 HydrophobicContact CD1-SD 3.92Å; I575-M667 HydrophobicContact CG2-CE 3.94Å; I575-M667 HydrophobicContact CG2-SD 3.66Å
576	T	95.5	Very high	92.1	Very high	0 Å²	0	24 Å²	24	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-60.3	-38.8	177.6	-55.3	0	0	0	0	111.4	A572 A580 L660 M664 M667 I729 W734 I735	A572-T576 WeakPolarHBondContact O-CB 3.12Å; A572-T576 PolarHBondContact O-N 2.82Å; A572-T576 PolarHBondContact O-OG1 3.49Å; T576-A580 WeakPolarHBondContact O-CB 3.33Å; T576-A580 PolarHBondContact O-N 3.31Å; T576-L660 HydrophobicContact CG2-CD1 4.44Å; T576-L660 HydrophobicContact CG2-CD2 4.32Å; T576-L660 HydrophobicContact CG2-CG 4.39Å; T576-M664 HydrophobicContact CG2-SD 4.23Å; T576-M667 WeakPolarHBondContact OG1-CE 3.44Å; T576-I729 HydrophobicContact CG2-CG2 4.46Å; T576-W734 HydrophobicContact CG2-CZ3 4.28Å; T576-I735 HydrophobicContact CG2-CD1 3.82Å
577	Y	96.8	Very high	93.1	Very high	78 Å²	78	23 Å²	23	31%	0.306	11%	0.106	S	C	.	.	H	α-helix	trans	-58.8	-49	174	170.4	-98.8	0	0	0	112.2	S573 N574 I575 I579 A580 N581 L730 I735	S573-Y577 WeakPolarHBondContact O-CB 3.2Å; S573-Y577 PolarHBondContact O-N 2.92Å; N574-Y577 WeakPolarHBondContact O-CB 3.2Å; N574-Y577 PolarHBondContact O-N 2.79Å; I575-Y577 VanDerWaalsContact C-N 3.28Å; I575-Y577 PolarHBondContact O-N 2.93Å; Y577-I579 PolarHBondContact O-N 3.02Å; Y577-A580 PolarHBondContact O-N 2.87Å; Y577-N581 WeakPolarHBondContact O-CB 3.41Å; Y577-N581 PolarHBondContact O-N 3Å; Y577-L730 HydrophobicContact CD2-CD2 3.65Å; Y577-L730 HydrophobicContact CE2-CD2 3.85Å; Y577-I735 HydrophobicContact CD2-CG2 3.63Å; Y577-I735 HydrophobicContact CG-CG2 4.31Å
578	V	96.1	Very high	93.4	Very high	17 Å²	17	26.6 Å²	26.6	10%	0.103	13%	0.132	C	C	.	.	H	α-helix	trans	-64.1	-43.6	-179	169.8	0	0	0	0	112	N531 N574 I575 N581 T582 I610 L613	N531-V578 HydrophobicContact CB-CG1 4.1Å; N574-V578 PolarHBondContact O-N 2.82Å; N574-V578 VanDerWaalsContact O-N 3.16Å; I575-V578 PolarHBondContact O-N 2.82Å; V578-N581 PolarHBondContact O-N 3.2Å; V578-T582 WeakPolarHBondContact O-CB 3.37Å; V578-T582 PolarHBondContact O-N 3.45Å; V578-T582 PolarHBondContact O-OG1 3.12Å; V578-I610 HydrophobicContact CB-CG2 4.34Å; V578-I610 HydrophobicContact CG2-CG2 3.56Å; V578-L613 HydrophobicContact CG1-CB 4.27Å; V578-L613 HydrophobicContact CG1-CD1 4.43Å
579	I	96.4	Very high	93.3	Very high	2 Å²	2	29.1 Å²	29.1	1%	0.01	15%	0.146	C	C	.	.	H	α-helix	trans	-67.9	-44.6	178.4	-54.3	167	0	0	0	110.2	L557 I575 Y577 N581 T582 L583 L596 V601 I615 L660	L557-I579 HydrophobicContact CD2-CD1 4.1Å; I575-I579 HydrophobicContact CG2-CD1 3.94Å; I575-I579 WeakPolarHBondContact O-CG1 3.31Å; I575-I579 PolarHBondContact O-N 3.11Å; I575-I579 VanDerWaalsContact O-N 3.12Å; Y577-I579 PolarHBondContact O-N 3.02Å; I579-N581 VanDerWaalsContact C-N 3.31Å; I579-N581 PolarHBondContact O-N 3Å; I579-T582 PolarHBondContact O-N 2.72Å; I579-L583 HydrophobicContact CG2-CD1 4.34Å; I579-L583 HydrophobicContact CG2-CG 4.37Å; I579-L583 WeakPolarHBondContact O-CB 3.48Å; I579-L583 WeakPolarHBondContact O-CG 3.44Å; I579-L583 PolarHBondContact O-N 3.47Å; I579-L596 HydrophobicContact CG2-CD2 4.06Å; I579-V601 HydrophobicContact CD1-CG1 4.08Å; I579-V601 HydrophobicContact CG1-CG1 4.38Å; I579-I615 HydrophobicContact CG2-CD1 4.08Å; I579-L660 HydrophobicContact CB-CD1 3.74Å; I579-L660 HydrophobicContact CB-CD2 4.2Å; I579-L660 HydrophobicContact CD1-CD1 3.82Å; I579-L660 HydrophobicContact CG1-CD1 4.39Å; I579-L660 HydrophobicContact CG2-CD1 3.7Å; I579-L660 HydrophobicContact CG2-CD2 4.09Å; I579-L660 HydrophobicContact CG2-CG 4.39Å
580	A	97.3	Very high	92.8	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-61.8	-37.1	176.2	0	0	0	0	0	112.6	T576 Y577 S584 L660 I729 L730	T576-A580 WeakPolarHBondContact O-CB 3.33Å; T576-A580 PolarHBondContact O-N 3.31Å; Y577-A580 PolarHBondContact O-N 2.87Å; A580-S584 VanDerWaalsContact O-CB 3.29Å; A580-S584 WeakPolarHBondContact O-CB 3.32Å; A580-S584 PolarHBondContact O-N 2.59Å; A580-L660 HydrophobicContact CB-CD2 3.89Å; A580-I729 HydrophobicContact CB-CB 4.13Å; A580-I729 HydrophobicContact CB-CG2 3.68Å; A580-L730 HydrophobicContact CB-CD2 3.92Å; A580-L730 HydrophobicContact CB-CG 4.32Å
581	N	97	Very high	92.4	Very high	58 Å²	58	27.5 Å²	27.5	31%	0.31	14%	0.142	S	C	.	.	H	α-helix	trans	-66.2	-44	176.5	-173	68.9	0	0	0	111.1	Y577 V578 I579 S584 Y585 L730	Y577-N581 WeakPolarHBondContact O-CB 3.41Å; Y577-N581 PolarHBondContact O-N 3Å; V578-N581 PolarHBondContact O-N 3.2Å; I579-N581 VanDerWaalsContact C-N 3.31Å; I579-N581 PolarHBondContact O-N 3Å; N581-S584 PolarHBondContact O-N 2.96Å; N581-Y585 PolarHBondContact O-N 3.24Å; N581-L730 HydrophobicContact CB-CD1 4.46Å; N581-L730 HydrophobicContact CB-CD2 4.02Å
582	T	96.8	Very high	92.2	Very high	1 Å²	1	24.2 Å²	24.2	1%	0.006	13%	0.126	C	C	.	.	H	α-helix	trans	-64.6	-43.1	176.4	-51	0	0	0	0	111.8	N531 I532 V578 I579 Y585 L586 I615	N531-T582 HydrophobicContact CB-CG2 4.32Å; N531-T582 VanDerWaalsContact CB-OG1 3.27Å; N531-T582 WeakPolarHBondContact CB-OG1 3.25Å; I532-T582 HydrophobicContact CD1-CG2 4.24Å; I532-T582 HydrophobicContact CG1-CG2 3.74Å; V578-T582 WeakPolarHBondContact O-CB 3.37Å; V578-T582 PolarHBondContact O-N 3.45Å; V578-T582 PolarHBondContact O-OG1 3.12Å; I579-T582 PolarHBondContact O-N 2.72Å; T582-Y585 PolarHBondContact O-N 2.86Å; T582-L586 HydrophobicContact CG2-CD1 4.49Å; T582-L586 WeakPolarHBondContact O-CG 3.42Å; T582-L586 PolarHBondContact O-N 2.98Å; T582-I615 HydrophobicContact CG2-CD1 3.57Å; T582-I615 HydrophobicContact CG2-CG1 4.13Å
583	L	95.7	Very high	92	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-42	173.2	-71.6	-178.9	0	0	0	111.8	I579 Y585 L586 H587 L596 I615 D656 L660 A726	I579-L583 HydrophobicContact CG2-CD1 4.34Å; I579-L583 HydrophobicContact CG2-CG 4.37Å; I579-L583 WeakPolarHBondContact O-CB 3.48Å; I579-L583 WeakPolarHBondContact O-CG 3.44Å; I579-L583 PolarHBondContact O-N 3.47Å; L583-Y585 VanDerWaalsContact C-N 3.28Å; L583-Y585 PolarHBondContact O-N 3.3Å; L583-L586 PolarHBondContact O-N 3.39Å; L583-H587 VanDerWaalsContact O-CB 3.28Å; L583-H587 WeakPolarHBondContact O-CB 3.48Å; L583-H587 PolarHBondContact O-CD2 3.22Å; L583-H587 PolarHBondContact O-N 3.2Å; L583-L596 HydrophobicContact CD1-CD2 3.87Å; L583-L596 HydrophobicContact CD2-CD2 4.27Å; L583-L596 HydrophobicContact CG-CD2 4.43Å; L583-I615 HydrophobicContact CD2-CD1 4.48Å; L583-D656 HydrophobicContact CD1-CB 3.92Å; L583-D656 HydrophobicContact CD2-CB 3.74Å; L583-D656 HydrophobicContact CG-CB 4.43Å; L583-L660 HydrophobicContact CD1-CB 4.29Å; L583-L660 HydrophobicContact CD1-CD2 4.08Å; L583-A726 HydrophobicContact CB-CB 3.81Å
584	S	95	Very high	91.4	Very high	24 Å²	24	28.5 Å²	28.5	17%	0.168	14%	0.143	C	C	.	.	H	α-helix	trans	-64.7	-33.5	177.3	-167.8	0	0	0	0	112.1	A580 N581 S588	A580-S584 VanDerWaalsContact O-CB 3.29Å; A580-S584 WeakPolarHBondContact O-CB 3.32Å; A580-S584 PolarHBondContact O-N 2.59Å; N581-S584 PolarHBondContact O-N 2.96Å; S584-S588 VanDerWaalsContact O-CB 3.27Å; S584-S588 WeakPolarHBondContact O-CB 3.38Å; S584-S588 PolarHBondContact O-N 3.44Å; S584-S588 VanDerWaalsContact O-N 3.09Å; S584-S588 PolarHBondContact O-OG 2.72Å; S584-S588 VanDerWaalsContact O-OG 3.1Å
585	Y	94.9	Very high	91	Very high	72 Å²	72	27.2 Å²	27.2	28%	0.282	14%	0.136	S	C	.	.	H	α-helix	trans	-66.9	-48	170.7	169.5	-97.5	0	0	0	111.8	H526 H529 I532 N581 T582 L583 S588 N589	H526-Y585 HydrophobicContact CB-CE1 4.33Å; H526-Y585 AromaticContact ND1-CE1 3.38Å; H526-Y585 WeakPolarHBondContact ND1-CE1 3.39Å; H526-Y585 AromaticContact ND1-CZ 3.47Å; H526-Y585 PolarHBondContact ND1-OH 3.44Å; H529-Y585 HydrophobicContact CB-CD1 4.38Å; H529-Y585 HydrophobicContact CB-CE1 3.92Å; H529-Y585 AromaticContact CD2-CD1 3.37Å; H529-Y585 WeakPolarHBondContact CD2-CD1 3.45Å; H529-Y585 AromaticContact CD2-CD2 3.93Å; H529-Y585 AromaticContact CD2-CE1 3.65Å; H529-Y585 AromaticContact CD2-CG 3.53Å; H529-Y585 AromaticContact CG-CD1 3.86Å; H529-Y585 AromaticContact CG-CE1 3.9Å; H529-Y585 AromaticContact NE2-CD1 3.9Å; H529-Y585 AromaticContact NE2-CG 3.82Å; I532-Y585 HydrophobicContact CD1-CD1 4.2Å; I532-Y585 HydrophobicContact CD1-CE1 4.13Å; N581-Y585 PolarHBondContact O-N 3.24Å; T582-Y585 PolarHBondContact O-N 2.86Å; L583-Y585 VanDerWaalsContact C-N 3.28Å; L583-Y585 PolarHBondContact O-N 3.3Å; Y585-S588 PolarHBondContact O-N 3.19Å; Y585-S588 PolarHBondContact O-OG 2.98Å; Y585-N589 WeakPolarHBondContact CE2-ND2 3.38Å; Y585-N589 PolarHBondContact O-N 3.18Å; Y585-N589 PolarHBondContact O-ND2 3.36Å
586	L	92.4	Very high	90.8	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-60.7	-50.6	177.4	-73.7	171.5	0	0	0	111.3	I532 T582 L583 S588 N589 M590 V591 F618	I532-L586 HydrophobicContact CD1-CD1 4.35Å; I532-L586 HydrophobicContact CD1-CD2 3.64Å; I532-L586 HydrophobicContact CD1-CG 4.03Å; T582-L586 HydrophobicContact CG2-CD1 4.49Å; T582-L586 WeakPolarHBondContact O-CG 3.42Å; T582-L586 PolarHBondContact O-N 2.98Å; L583-L586 PolarHBondContact O-N 3.39Å; L586-S588 VanDerWaalsContact C-N 3.32Å; L586-S588 PolarHBondContact O-N 3.13Å; L586-N589 CarbonylContact O-C 3.58Å; L586-N589 VanDerWaalsContact O-C 3.28Å; L586-N589 WeakPolarHBondContact O-CA 3.36Å; L586-N589 PolarHBondContact O-N 2.94Å; L586-M590 PolarHBondContact O-N 3.43Å; L586-M590 VanDerWaalsContact O-N 3.14Å; L586-V591 CarbonylContact C-O 3.54Å; L586-V591 HydrophobicContact CB-CB 4.3Å; L586-V591 HydrophobicContact CD2-CB 4.02Å; L586-V591 HydrophobicContact CD2-CG1 3.92Å; L586-V591 PolarHBondContact O-N 3.1Å; L586-V591 VanDerWaalsContact O-O 3.11Å; L586-F618 HydrophobicContact CD1-CE1 3.9Å; L586-F618 HydrophobicContact CD1-CZ 3.95Å; L586-F618 HydrophobicContact CD2-CE1 3.86Å; L586-F618 HydrophobicContact CD2-CZ 4.31Å
587	H	89	Confident	90.2	Very high	29 Å²	29	29.2 Å²	29.2	13%	0.134	14%	0.144	C	C	.	.	H	α-helix	trans	-61.5	-37.7	-179.3	-64.5	175	0	0	0	111.8	L583 N589 M590 V591 A653 D656	L583-H587 VanDerWaalsContact O-CB 3.28Å; L583-H587 WeakPolarHBondContact O-CB 3.48Å; L583-H587 PolarHBondContact O-CD2 3.22Å; L583-H587 PolarHBondContact O-N 3.2Å; H587-N589 VanDerWaalsContact C-N 3.34Å; H587-M590 WeakPolarHBondContact O-CA 3.49Å; H587-M590 PolarHBondContact O-N 2.99Å; H587-V591 PolarHBondContact CD2-O 3.31Å; H587-V591 PolarHBondContact N-O 3.34Å; H587-A653 PolarHBondContact CE1-O 3.27Å; H587-A653 VanDerWaalsContact CE1-O 3.28Å; H587-D656 IonicContact CD2-OD2 3.93Å; H587-D656 IonicContact CE1-OD2 3.3Å; H587-D656 IonicContact NE2-OD2 3.67Å; H587-D656 PolarHBondContact NE2-OD2 2.78Å
588	S	87.1	Confident	89.5	Confident	86 Å²	86	25.8 Å²	25.8	60%	0.601	13%	0.132	S	C	*	.	H	α-helix	trans	-71.5	-27	175	70.7	0	0	0	0	113.5	S584 Y585 L586 M590	S584-S588 VanDerWaalsContact O-CB 3.27Å; S584-S588 WeakPolarHBondContact O-CB 3.38Å; S584-S588 PolarHBondContact O-N 3.44Å; S584-S588 VanDerWaalsContact O-N 3.09Å; S584-S588 PolarHBondContact O-OG 2.72Å; S584-S588 VanDerWaalsContact O-OG 3.1Å; Y585-S588 PolarHBondContact O-N 3.19Å; Y585-S588 PolarHBondContact O-OG 2.98Å; L586-S588 VanDerWaalsContact C-N 3.32Å; L586-S588 PolarHBondContact O-N 3.13Å; S588-M590 PolarHBondContact O-N 3.42Å
589	N	83.4	Confident	88.9	Confident	56 Å²	56	26.8 Å²	26.8	30%	0.299	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.5	14.7	168.2	-73.1	-94.2	0	0	0	112.6	Y585 L586 H587 V591 Q623	Y585-N589 WeakPolarHBondContact CE2-ND2 3.38Å; Y585-N589 PolarHBondContact O-N 3.18Å; Y585-N589 PolarHBondContact O-ND2 3.36Å; L586-N589 CarbonylContact O-C 3.58Å; L586-N589 VanDerWaalsContact O-C 3.28Å; L586-N589 WeakPolarHBondContact O-CA 3.36Å; L586-N589 PolarHBondContact O-N 2.94Å; H587-N589 VanDerWaalsContact C-N 3.34Å; N589-V591 PolarHBondContact O-N 3.42Å; N589-Q623 PolarHBondContact O-NE2 2.71Å
590	M	80.4	Confident	88.6	Confident	47 Å²	47	27 Å²	27	23%	0.232	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.6	24.8	178.6	-54.3	-62.1	-70.9	0	0	113.8	L586 H587 S588 Q623 L624 Q649	L586-M590 PolarHBondContact O-N 3.43Å; L586-M590 VanDerWaalsContact O-N 3.14Å; H587-M590 WeakPolarHBondContact O-CA 3.49Å; H587-M590 PolarHBondContact O-N 2.99Å; S588-M590 PolarHBondContact O-N 3.42Å; M590-Q623 VanDerWaalsContact C-NE2 3.3Å; M590-Q623 PolarHBondContact O-NE2 3.26Å; M590-L624 HydrophobicContact CB-CB 4.16Å; M590-L624 WeakPolarHBondContact CB-O 3.27Å; M590-L624 HydrophobicContact CE-CB 4.14Å; M590-L624 WeakPolarHBondContact O-CA 3.04Å; M590-L624 WeakPolarHBondContact O-CB 3.41Å; M590-L624 WeakPolarHBondContact O-CG 3.41Å; M590-L624 PolarHBondContact O-N 3.11Å; M590-Q649 HydrophobicContact CE-CG 4.31Å; M590-Q649 VanDerWaalsContact CE-NE2 3.27Å
591	V	84.3	Confident	88.3	Confident	0 Å²	0	27 Å²	27	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	133.3	174	178.9	0	0	0	0	109.6	I522 L586 H587 N589 K622	I522-V591 HydrophobicContact CD1-CG1 4.15Å; I522-V591 HydrophobicContact CG1-CG2 4.43Å; I522-V591 HydrophobicContact CG2-CG1 3.87Å; I522-V591 HydrophobicContact CG2-CG2 4.4Å; L586-V591 CarbonylContact C-O 3.54Å; L586-V591 HydrophobicContact CB-CB 4.3Å; L586-V591 HydrophobicContact CD2-CB 4.02Å; L586-V591 HydrophobicContact CD2-CG1 3.92Å; L586-V591 PolarHBondContact O-N 3.1Å; L586-V591 VanDerWaalsContact O-O 3.11Å; H587-V591 PolarHBondContact CD2-O 3.31Å; H587-V591 PolarHBondContact N-O 3.34Å; N589-V591 PolarHBondContact O-N 3.42Å; V591-K622 WeakPolarHBondContact CA-O 3.47Å
592	V	84.6	Confident	88.2	Confident	1 Å²	1	25.7 Å²	25.7	1%	0.006	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	137.3	171.5	-179	0	0	0	0	108.8	R594 A621 K622 L624 H652 A653 D656	V592-R594 HydrophobicContact CB-CG 4.19Å; V592-R594 HydrophobicContact CG1-CG 3.55Å; V592-A621 CarbonylContact O-C 3.55Å; V592-A621 WeakPolarHBondContact O-CA 3.05Å; V592-K622 PolarHBondContact N-O 2.91Å; V592-K622 PolarHBondContact O-N 3.24Å; V592-L624 HydrophobicContact CG2-CD1 3.53Å; V592-L624 HydrophobicContact CG2-CD2 4.47Å; V592-L624 HydrophobicContact CG2-CG 4.02Å; V592-H652 HydrophobicContact CB-CB 4.39Å; V592-H652 HydrophobicContact CG1-CB 4.08Å; V592-H652 WeakPolarHBondContact CG1-O 3.3Å; V592-H652 HydrophobicContact CG2-CB 4.02Å; V592-A653 HydrophobicContact CG2-CB 4.42Å; V592-D656 VanDerWaalsContact CG1-OD2 3.24Å; V592-D656 WeakPolarHBondContact CG1-OD2 3.38Å
593	H	87.6	Confident	88	Confident	0 Å²	0	26.1 Å²	26.1	0%	0	14%	0.135	C	C	.	.			trans	-76.9	-42.7	-175.2	-164.1	-88.6	0	0	0	112.8	D595 L596 I615 C616 D617 F618 F620 A621 D656	H593-D595 PolarHBondContact CE1-O 3.07Å; H593-D595 VanDerWaalsContact ND1-C 3.28Å; H593-D595 PolarHBondContact ND1-O 2.94Å; H593-D595 PolarHBondContact O-N 3.35Å; H593-L596 PolarHBondContact ND1-N 2.87Å; H593-I615 WeakPolarHBondContact NE2-CG2 3.5Å; H593-C616 PolarHBondContact CE1-O 3.02Å; H593-C616 PolarHBondContact NE2-O 3.41Å; H593-D617 PolarHBondContact CE1-O 2.95Å; H593-D617 VanDerWaalsContact CE1-O 3.26Å; H593-D617 PolarHBondContact NE2-O 3.01Å; H593-F618 AromaticContact CD2-CD1 3.94Å; H593-F618 AromaticContact CD2-CE1 3.79Å; H593-F618 AromaticContact CD2-CE2 3.92Å; H593-F618 AromaticContact CD2-CZ 3.78Å; H593-F618 AromaticContact NE2-CD2 3.79Å; H593-F618 AromaticContact NE2-CE2 3.86Å; H593-F620 CarbonylContact O-C 3.51Å; H593-A621 WeakPolarHBondContact O-CA 3.46Å; H593-A621 PolarHBondContact O-N 3.35Å; H593-D656 PolarHBondContact N-OD1 3.05Å; H593-D656 PolarHBondContact N-OD2 3.19Å
594	R	82.6	Confident	87.8	Confident	91 Å²	91	26.9 Å²	26.9	34%	0.343	14%	0.142	S	C	.	.	S	Bend	trans	62.2	-17.6	178.7	-54.5	-169	-60.5	161.7	2.3	117.4	V592 F620 D656	V592-R594 HydrophobicContact CB-CG 4.19Å; V592-R594 HydrophobicContact CG1-CG 3.55Å; R594-F620 HydrophobicContact CB-CB 4.45Å; R594-F620 PolarHBondContact NE-O 3.28Å; R594-F620 PolarHBondContact NH2-O 3.19Å; R594-D656 WeakPolarHBondContact CA-OD1 3.44Å; R594-D656 PolarHBondContact N-OD1 2.96Å
595	D	85	Confident	87.6	Confident	6 Å²	6	28.9 Å²	28.9	3%	0.032	15%	0.15	C	C	.	.			trans	-125	44.2	173	-173.7	38.6	0	0	0	110.9	H593 K597 N600 F620	H593-D595 PolarHBondContact CE1-O 3.07Å; H593-D595 VanDerWaalsContact ND1-C 3.28Å; H593-D595 PolarHBondContact ND1-O 2.94Å; H593-D595 PolarHBondContact O-N 3.35Å; D595-K597 PolarHBondContact O-N 3.49Å; D595-K597 IonicContact OD1-NZ 3.74Å; D595-K597 PolarHBondContact OD1-NZ 3.26Å; D595-K597 IonicContact OD2-NZ 3.72Å; D595-K597 PolarHBondContact OD2-NZ 2.89Å; D595-N600 PolarHBondContact O-ND2 2.93Å; D595-N600 PolarHBondContact OD2-ND2 3.11Å; D595-N600 VanDerWaalsContact OD2-ND2 3.17Å; D595-F620 HydrophobicContact CB-CB 3.84Å; D595-F620 HydrophobicContact CB-CD2 3.57Å; D595-F620 HydrophobicContact CB-CG 4.03Å; D595-F620 WeakPolarHBondContact OD2-CD2 3.28Å
596	L	88.5	Confident	87.2	Confident	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.159	C	C	.	.			trans	-74.8	121.5	172.9	-177.2	70.2	0	0	0	109.2	I579 L583 H593 V601 I615 S659 L660 I663 F765	I579-L596 HydrophobicContact CG2-CD2 4.06Å; L583-L596 HydrophobicContact CD1-CD2 3.87Å; L583-L596 HydrophobicContact CD2-CD2 4.27Å; L583-L596 HydrophobicContact CG-CD2 4.43Å; H593-L596 PolarHBondContact ND1-N 2.87Å; L596-V601 HydrophobicContact CD1-CG2 3.71Å; L596-I615 HydrophobicContact CD1-CD1 4.29Å; L596-I615 HydrophobicContact CD1-CG2 4.14Å; L596-S659 WeakPolarHBondContact O-CB 3.42Å; L596-S659 PolarHBondContact O-OG 3.41Å; L596-L660 HydrophobicContact CD2-CB 4.25Å; L596-I663 HydrophobicContact CD2-CD1 4.43Å; L596-I663 HydrophobicContact CG-CD1 4.16Å; L596-F765 WeakPolarHBondContact O-CE1 3.49Å
597	K	84.3	Confident	86.9	Confident	46 Å²	46	33.4 Å²	33.4	20%	0.2	19%	0.186	C	C	.	.			trans	-157.8	163.2	179.7	61.9	-172.6	178.9	-133.8	0	109.3	D595 S599 N600 F765	D595-K597 PolarHBondContact O-N 3.49Å; D595-K597 IonicContact OD1-NZ 3.74Å; D595-K597 PolarHBondContact OD1-NZ 3.26Å; D595-K597 IonicContact OD2-NZ 3.72Å; D595-K597 PolarHBondContact OD2-NZ 2.89Å; K597-S599 VanDerWaalsContact C-N 3.33Å; K597-S599 WeakPolarHBondContact CE-OG 3.49Å; K597-S599 PolarHBondContact O-N 3.24Å; K597-N600 WeakPolarHBondContact CE-ND2 3.28Å; K597-N600 VanDerWaalsContact CE-OD1 3.3Å; K597-N600 WeakPolarHBondContact CE-OD1 3.05Å; K597-N600 HydrophobicContact CG-CB 4.11Å; K597-N600 WeakPolarHBondContact O-CA 3.43Å; K597-N600 WeakPolarHBondContact O-CB 3.37Å; K597-N600 PolarHBondContact O-N 3.43Å; K597-F765 HydrophobicContact CB-CD1 4.34Å; K597-F765 HydrophobicContact CB-CD2 3.73Å; K597-F765 HydrophobicContact CB-CE1 4.4Å; K597-F765 HydrophobicContact CB-CE2 3.76Å; K597-F765 HydrophobicContact CB-CG 4.04Å; K597-F765 HydrophobicContact CB-CZ 4.12Å
598	P	82.4	Confident	86.4	Confident	6 Å²	6	33 Å²	33	4%	0.039	19%	0.189	C	C	.	.	G	3₁₀ helix	trans	-55.4	-35.8	-177.4	-36	42.6	0	0	0	117.1	L558 N600 V601 I663 V761	L558-P598 HydrophobicContact CB-CB 4.43Å; L558-P598 HydrophobicContact CD1-CB 3.52Å; L558-P598 HydrophobicContact CD1-CG 3.47Å; L558-P598 VanDerWaalsContact CD1-CG 3.47Å; L558-P598 HydrophobicContact CG-CB 3.81Å; L558-P598 HydrophobicContact CG-CG 4.06Å; P598-N600 PolarHBondContact O-N 3.3Å; P598-N600 VanDerWaalsContact O-N 3.1Å; P598-V601 PolarHBondContact O-N 3.03Å; P598-V601 VanDerWaalsContact O-N 3.14Å; P598-I663 HydrophobicContact CG-CG1 3.98Å; P598-V761 HydrophobicContact CG-CG1 3.88Å
599	S	81.8	Confident	86.4	Confident	37 Å²	37	32.9 Å²	32.9	26%	0.259	18%	0.181	S	C	.	.	G	3₁₀ helix	trans	-66.1	-10.3	175.2	70.1	0	0	0	0	113.8	K597 L602	K597-S599 VanDerWaalsContact C-N 3.33Å; K597-S599 WeakPolarHBondContact CE-OG 3.49Å; K597-S599 PolarHBondContact O-N 3.24Å; S599-L602 VanDerWaalsContact O-CD1 3.23Å; S599-L602 WeakPolarHBondContact O-CD1 3.37Å
600	N	90.2	Very high	86.6	Confident	7 Å²	7	32.1 Å²	32.1	4%	0.037	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-110.8	11.2	-178.9	-66.3	10.6	0	0	0	111.3	D595 K597 P598 I615 C616	D595-N600 PolarHBondContact O-ND2 2.93Å; D595-N600 PolarHBondContact OD2-ND2 3.11Å; D595-N600 VanDerWaalsContact OD2-ND2 3.17Å; K597-N600 WeakPolarHBondContact CE-ND2 3.28Å; K597-N600 VanDerWaalsContact CE-OD1 3.3Å; K597-N600 WeakPolarHBondContact CE-OD1 3.05Å; K597-N600 HydrophobicContact CG-CB 4.11Å; K597-N600 WeakPolarHBondContact O-CA 3.43Å; K597-N600 WeakPolarHBondContact O-CB 3.37Å; K597-N600 PolarHBondContact O-N 3.43Å; P598-N600 PolarHBondContact O-N 3.3Å; P598-N600 VanDerWaalsContact O-N 3.1Å; N600-I615 WeakPolarHBondContact O-CA 3.29Å; N600-C616 WeakPolarHBondContact CB-O 3.11Å; N600-C616 PolarHBondContact O-N 3.19Å
601	V	92.6	Very high	87	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.006	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	105.8	174.3	-174.5	0	0	0	0	108.7	L557 I579 L596 P598 L613 R614	L557-V601 HydrophobicContact CB-CB 4.31Å; L557-V601 HydrophobicContact CB-CG1 4.13Å; L557-V601 VanDerWaalsContact CB-O 3.32Å; L557-V601 WeakPolarHBondContact CB-O 3.49Å; L557-V601 HydrophobicContact CD2-CB 4.4Å; L557-V601 HydrophobicContact CD2-CG1 3.89Å; L557-V601 PolarHBondContact N-O 3.44Å; I579-V601 HydrophobicContact CD1-CG1 4.08Å; I579-V601 HydrophobicContact CG1-CG1 4.38Å; L596-V601 HydrophobicContact CD1-CG2 3.71Å; P598-V601 PolarHBondContact O-N 3.03Å; P598-V601 VanDerWaalsContact O-N 3.14Å; V601-L613 HydrophobicContact CG1-CD2 4.3Å; V601-R614 WeakPolarHBondContact CA-O 3.32Å
602	L	93.5	Very high	87.4	Confident	30 Å²	30	33.7 Å²	33.7	16%	0.157	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	154.6	-170.9	-83.1	66.6	0	0	0	111.5	L552 G555 E556 S599 L613 R614	L552-L602 HydrophobicContact CB-CB 4.06Å; L552-L602 HydrophobicContact CB-CD2 3.96Å; L552-L602 HydrophobicContact CD1-CB 3.74Å; L552-L602 HydrophobicContact CD1-CD2 4.09Å; G555-L602 CarbonylContact O-C 3.47Å; G555-L602 VanDerWaalsContact O-CA 3.23Å; G555-L602 WeakPolarHBondContact O-CA 3.49Å; G555-L602 WeakPolarHBondContact O-CB 3.37Å; E556-L602 HydrophobicContact CG-CD1 4.12Å; E556-L602 HydrophobicContact CG-CG 4.4Å; S599-L602 VanDerWaalsContact O-CD1 3.23Å; S599-L602 WeakPolarHBondContact O-CD1 3.37Å; L602-L613 CarbonylContact O-C 3.59Å; L602-L613 WeakPolarHBondContact O-CA 3.45Å; L602-R614 PolarHBondContact N-O 2.87Å; L602-R614 PolarHBondContact O-N 2.81Å
603	Y	93.1	Very high	87.8	Confident	9 Å²	9	33.7 Å²	33.7	4%	0.035	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	134.1	167.5	-70.7	-87.7	0	0	0	110.7	L552 G554 G555 L557 K560 D605 G608 L613	L552-Y603 CarbonylContact C-O 3.51Å; G554-Y603 WeakPolarHBondContact CA-O 3.43Å; G554-Y603 PolarHBondContact N-O 3.3Å; G555-Y603 PolarHBondContact O-N 3.49Å; L557-Y603 HydrophobicContact CD1-CE2 3.81Å; K560-Y603 HydrophobicContact CB-CD2 4.17Å; K560-Y603 HydrophobicContact CB-CE2 3.81Å; K560-Y603 HydrophobicContact CD-CD2 3.93Å; K560-Y603 HydrophobicContact CD-CE2 3.77Å; K560-Y603 HydrophobicContact CD-CG 4.43Å; K560-Y603 HydrophobicContact CG-CE2 4.2Å; Y603-D605 VanDerWaalsContact C-N 3.27Å; Y603-D605 PolarHBondContact O-N 3.02Å; Y603-G608 WeakPolarHBondContact CE1-O 3.38Å; Y603-L613 HydrophobicContact CD1-CD2 3.71Å; Y603-L613 HydrophobicContact CD1-CG 4.04Å; Y603-L613 HydrophobicContact CD2-CD2 3.97Å; Y603-L613 HydrophobicContact CE1-CD2 3.57Å; Y603-L613 HydrophobicContact CE1-CG 3.78Å; Y603-L613 HydrophobicContact CE2-CD2 3.83Å; Y603-L613 HydrophobicContact CG-CD2 3.92Å
604	A	92	Very high	88.2	Confident	17 Å²	17	35.8 Å²	35.8	14%	0.14	20%	0.2	C	C	.	.	S	Bend	trans	-66.1	-30.8	177.5	0	0	0	0	0	112.6	L552 K553 S612 R614	L552-A604 HydrophobicContact CD2-CB 3.96Å; K553-A604 PolarHBondContact N-O 3.31Å; A604-S612 VanDerWaalsContact CB-O 3.31Å; A604-S612 WeakPolarHBondContact CB-O 3.48Å; A604-S612 PolarHBondContact N-O 3.31Å; A604-R614 HydrophobicContact CB-CG 4.25Å
605	D	90.5	Very high	88.8	Confident	65 Å²	65	31.6 Å²	31.6	35%	0.348	19%	0.185	S	C	.	.	S	Bend	trans	-140.3	171.7	-175.9	58.4	47.8	0	0	0	112.8	G554 Y603 S607 S612	G554-D605 VanDerWaalsContact CA-O 3.24Å; G554-D605 WeakPolarHBondContact CA-O 3.49Å; Y603-D605 VanDerWaalsContact C-N 3.27Å; Y603-D605 PolarHBondContact O-N 3.02Å; D605-S607 PolarHBondContact O-N 3.3Å; D605-S607 WeakPolarHBondContact OD1-CB 3.42Å; D605-S607 PolarHBondContact OD1-N 3.33Å; D605-S607 PolarHBondContact OD1-OG 3.41Å; D605-S612 PolarHBondContact OD1-OG 2.9Å; D605-S612 WeakPolarHBondContact OD2-CB 3.39Å
606	D	86.5	Confident	89.1	Confident	88 Å²	88	32.1 Å²	32.1	47%	0.471	19%	0.189	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.7	-5.2	-177.9	-53.9	-53	0	0	0	113.6	K553 K560 G608	K553-D606 WeakPolarHBondContact CD-OD2 3.34Å; K553-D606 WeakPolarHBondContact CE-OD2 3.43Å; K553-D606 IonicContact NZ-OD2 3.37Å; K553-D606 PolarHBondContact NZ-OD2 2.81Å; K560-D606 PolarHBondContact NZ-O 3.26Å; D606-G608 VanDerWaalsContact C-N 3.29Å; D606-G608 PolarHBondContact O-N 3.28Å
607	S	86.1	Confident	89.1	Confident	80 Å²	80	34.3 Å²	34.3	56%	0.559	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-37.6	-173.4	72.4	0	0	0	0	112.1	K560 D605 D609	K560-S607 VanDerWaalsContact NZ-C 3.34Å; K560-S607 PolarHBondContact NZ-O 2.99Å; D605-S607 PolarHBondContact O-N 3.3Å; D605-S607 WeakPolarHBondContact OD1-CB 3.42Å; D605-S607 PolarHBondContact OD1-N 3.33Å; D605-S607 PolarHBondContact OD1-OG 3.41Å; S607-D609 PolarHBondContact OG-N 3.05Å; S607-D609 VanDerWaalsContact OG-N 3.07Å
608	G	78.9	Confident	89.4	Confident	19 Å²	19	32.1 Å²	32.1	20%	0.196	19%	0.191	C	C	.	.			trans	79.3	3	-171.8	0	0	0	0	0	114	Y603 D606 I610	Y603-G608 WeakPolarHBondContact CE1-O 3.38Å; D606-G608 VanDerWaalsContact C-N 3.29Å; D606-G608 PolarHBondContact O-N 3.28Å; G608-I610 PolarHBondContact O-N 3.22Å
609	D	86	Confident	89.5	Confident	84 Å²	84	32.2 Å²	32.2	45%	0.449	19%	0.193	S	C	.	.			trans	-59.6	135.8	172.3	-178	27.8	0	0	0	110	S607 S611 S612	S607-D609 PolarHBondContact OG-N 3.05Å; S607-D609 VanDerWaalsContact OG-N 3.07Å; D609-S611 PolarHBondContact O-N 3.08Å; D609-S611 VanDerWaalsContact OD2-CB 3.25Å; D609-S611 WeakPolarHBondContact OD2-CB 3.17Å; D609-S611 PolarHBondContact OD2-OG 2.9Å; D609-S612 PolarHBondContact O-N 2.66Å; D609-S612 PolarHBondContact O-OG 3.43Å
610	I	87.5	Confident	89.5	Confident	41 Å²	41	34.7 Å²	34.7	21%	0.21	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-65	-23.1	-176.4	-65.5	141.5	0	0	0	110.3	N574 I575 V578 G608 S612 L613	N574-I610 HydrophobicContact CB-CD1 3.8Å; N574-I610 HydrophobicContact CB-CG2 4.33Å; I575-I610 HydrophobicContact CG1-CG1 4.3Å; V578-I610 HydrophobicContact CB-CG2 4.34Å; V578-I610 HydrophobicContact CG2-CG2 3.56Å; G608-I610 PolarHBondContact O-N 3.22Å; I610-S612 VanDerWaalsContact C-N 3.32Å; I610-S612 PolarHBondContact O-N 3.39Å; I610-L613 HydrophobicContact CG2-CD1 4.24Å
611	S	88.8	Confident	89	Confident	74 Å²	74	34.6 Å²	34.6	52%	0.517	20%	0.2	S	C	.	.	G	3₁₀ helix	trans	-69.3	-24.3	172	85.7	0	0	0	0	114.1	N531 D609 L613 R614	N531-S611 PolarHBondContact ND2-O 3.01Å; D609-S611 PolarHBondContact O-N 3.08Å; D609-S611 VanDerWaalsContact OD2-CB 3.25Å; D609-S611 WeakPolarHBondContact OD2-CB 3.17Å; D609-S611 PolarHBondContact OD2-OG 2.9Å; S611-L613 VanDerWaalsContact C-N 3.28Å; S611-L613 PolarHBondContact O-N 3.48Å; S611-R614 PolarHBondContact O-NH1 3.32Å
612	S	92.7	Very high	88.2	Confident	5 Å²	5	38.3 Å²	38.3	4%	0.035	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-83.5	-0.8	-180	92.3	0	0	0	0	113.5	A604 D605 D609 I610 R614	A604-S612 VanDerWaalsContact CB-O 3.31Å; A604-S612 WeakPolarHBondContact CB-O 3.48Å; A604-S612 PolarHBondContact N-O 3.31Å; D605-S612 PolarHBondContact OD1-OG 2.9Å; D605-S612 WeakPolarHBondContact OD2-CB 3.39Å; D609-S612 PolarHBondContact O-N 2.66Å; D609-S612 PolarHBondContact O-OG 3.43Å; I610-S612 VanDerWaalsContact C-N 3.32Å; I610-S612 PolarHBondContact O-N 3.39Å; S612-R614 VanDerWaalsContact C-NH1 3.32Å; S612-R614 PolarHBondContact O-NH1 3.46Å
613	L	94.5	Very high	87.4	Confident	2 Å²	2	39 Å²	39	1%	0.01	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	142.9	172.5	-72.9	172.4	0	0	0	112.7	N531 L557 I575 V578 V601 L602 Y603 I610 S611	N531-L613 WeakPolarHBondContact CA-O 3.45Å; N531-L613 PolarHBondContact ND2-O 3.5Å; L557-L613 HydrophobicContact CD1-CD2 4.06Å; I575-L613 HydrophobicContact CG1-CD1 4.43Å; I575-L613 HydrophobicContact CG2-CD1 4.09Å; V578-L613 HydrophobicContact CG1-CB 4.27Å; V578-L613 HydrophobicContact CG1-CD1 4.43Å; V601-L613 HydrophobicContact CG1-CD2 4.3Å; L602-L613 CarbonylContact O-C 3.59Å; L602-L613 WeakPolarHBondContact O-CA 3.45Å; Y603-L613 HydrophobicContact CD1-CD2 3.71Å; Y603-L613 HydrophobicContact CD1-CG 4.04Å; Y603-L613 HydrophobicContact CD2-CD2 3.97Å; Y603-L613 HydrophobicContact CE1-CD2 3.57Å; Y603-L613 HydrophobicContact CE1-CG 3.78Å; Y603-L613 HydrophobicContact CE2-CD2 3.83Å; Y603-L613 HydrophobicContact CG-CD2 3.92Å; I610-L613 HydrophobicContact CG2-CD1 4.24Å; S611-L613 VanDerWaalsContact C-N 3.28Å; S611-L613 PolarHBondContact O-N 3.48Å
614	R	95.2	Very high	86.1	Confident	43 Å²	43	39.9 Å²	39.9	16%	0.162	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	135	176.1	-57.3	-69.1	-176.8	-89.3	2.5	110.1	P530 N531 E550 L552 V601 L602 A604 S611 S612	P530-R614 VanDerWaalsContact O-CD 3.24Å; P530-R614 WeakPolarHBondContact O-CD 3.24Å; P530-R614 PolarHBondContact O-NE 3.22Å; P530-R614 VanDerWaalsContact O-NE 3.12Å; P530-R614 PolarHBondContact O-NH1 2.94Å; N531-R614 CarbonylContact O-C 3.48Å; N531-R614 WeakPolarHBondContact O-CA 3.36Å; E550-R614 IonicContact OE1-NE 2.76Å; E550-R614 IonicContact OE2-NE 3.67Å; L552-R614 HydrophobicContact CD1-CB 3.97Å; L552-R614 HydrophobicContact CD1-CG 4.4Å; L552-R614 HydrophobicContact CD2-CB 4.13Å; L552-R614 HydrophobicContact CD2-CG 3.64Å; V601-R614 WeakPolarHBondContact CA-O 3.32Å; L602-R614 PolarHBondContact N-O 2.87Å; L602-R614 PolarHBondContact O-N 2.81Å; A604-R614 HydrophobicContact CB-CG 4.25Å; S611-R614 PolarHBondContact O-NH1 3.32Å; S612-R614 VanDerWaalsContact C-NH1 3.32Å; S612-R614 PolarHBondContact O-NH1 3.46Å
615	I	95.5	Very high	84.2	Confident	3 Å²	3	48.6 Å²	48.6	2%	0.015	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	132.8	161.8	-55.8	-176	0	0	0	108.2	N531 V533 I579 T582 L583 H593 L596 N600 F618	N531-I615 PolarHBondContact O-N 2.76Å; V533-I615 PolarHBondContact N-O 3.39Å; I579-I615 HydrophobicContact CG2-CD1 4.08Å; T582-I615 HydrophobicContact CG2-CD1 3.57Å; T582-I615 HydrophobicContact CG2-CG1 4.13Å; L583-I615 HydrophobicContact CD2-CD1 4.48Å; H593-I615 WeakPolarHBondContact NE2-CG2 3.5Å; L596-I615 HydrophobicContact CD1-CD1 4.29Å; L596-I615 HydrophobicContact CD1-CG2 4.14Å; N600-I615 WeakPolarHBondContact O-CA 3.29Å; I615-F618 HydrophobicContact CG2-CE2 4.2Å; I615-F618 HydrophobicContact CG2-CZ 4.41Å
616	C	91.4	Very high	81.8	Confident	18 Å²	18	48.4 Å²	48.4	12%	0.122	26%	0.26	C	S	.	.			trans	-132.6	176	179.3	72.3	0	0	0	0	112.3	V533 L552 H593 N600	V533-C616 HydrophobicContact CB-CB 3.92Å; V533-C616 HydrophobicContact CG1-CB 3.78Å; V533-C616 HydrophobicContact CG2-CB 4.45Å; L552-C616 HydrophobicContact CD1-CB 4.32Å; H593-C616 PolarHBondContact CE1-O 3.02Å; H593-C616 PolarHBondContact NE2-O 3.41Å; N600-C616 WeakPolarHBondContact CB-O 3.11Å; N600-C616 PolarHBondContact O-N 3.19Å
617	D	88.8	Confident	79.5	Confident	45 Å²	45	48.4 Å²	48.4	24%	0.241	26%	0.257	C	S	.	.			trans	56.6	71.1	-174.2	-161.5	0.5	0	0	0	115.3	K507 H593 G619	K507-D617 IonicContact NZ-OD1 3.55Å; K507-D617 PolarHBondContact NZ-OD1 3.47Å; K507-D617 IonicContact NZ-OD2 3.66Å; H593-D617 PolarHBondContact CE1-O 2.95Å; H593-D617 VanDerWaalsContact CE1-O 3.26Å; H593-D617 PolarHBondContact NE2-O 3.01Å; D617-G619 PolarHBondContact O-N 2.92Å; D617-G619 WeakPolarHBondContact OD1-CA 3.5Å; D617-G619 PolarHBondContact OD1-N 3.31Å
618	F	90.3	Very high	76.9	Confident	1 Å²	1	50.7 Å²	50.7	0%	0.004	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-75.4	22.2	171	-75.5	-108.8	0	0	0	112.5	E519 I522 L523 I532 L586 H593 I615 F620 A621	E519-F618 HydrophobicContact CG-CB 4.23Å; I522-F618 HydrophobicContact CG2-CD1 3.6Å; I522-F618 HydrophobicContact CG2-CE1 4.03Å; I522-F618 HydrophobicContact CG2-CG 4.46Å; L523-F618 HydrophobicContact CD1-CB 4.34Å; L523-F618 HydrophobicContact CD2-CB 4.29Å; L523-F618 HydrophobicContact CD2-CD2 3.54Å; L523-F618 HydrophobicContact CD2-CE2 4Å; L523-F618 HydrophobicContact CD2-CG 3.91Å; L523-F618 HydrophobicContact CG-CB 4.16Å; L523-F618 HydrophobicContact CG-CD2 4.34Å; L523-F618 HydrophobicContact CG-CG 4.26Å; I532-F618 HydrophobicContact CD1-CZ 4.25Å; I532-F618 HydrophobicContact CG1-CZ 4.19Å; I532-F618 HydrophobicContact CG2-CE2 3.83Å; I532-F618 HydrophobicContact CG2-CZ 3.83Å; L586-F618 HydrophobicContact CD1-CE1 3.9Å; L586-F618 HydrophobicContact CD1-CZ 3.95Å; L586-F618 HydrophobicContact CD2-CE1 3.86Å; L586-F618 HydrophobicContact CD2-CZ 4.31Å; H593-F618 AromaticContact CD2-CD1 3.94Å; H593-F618 AromaticContact CD2-CE1 3.79Å; H593-F618 AromaticContact CD2-CE2 3.92Å; H593-F618 AromaticContact CD2-CZ 3.78Å; H593-F618 AromaticContact NE2-CD2 3.79Å; H593-F618 AromaticContact NE2-CE2 3.86Å; I615-F618 HydrophobicContact CG2-CE2 4.2Å; I615-F618 HydrophobicContact CG2-CZ 4.41Å; F618-F620 PolarHBondContact O-N 2.76Å; F618-A621 HydrophobicContact CB-CB 3.77Å; F618-A621 HydrophobicContact CD1-CB 3.59Å; F618-A621 HydrophobicContact CG-CB 4.1Å; F618-A621 VanDerWaalsContact O-CB 3.28Å; F618-A621 WeakPolarHBondContact O-CB 3.4Å; F618-A621 PolarHBondContact O-N 2.86Å
619	G	84.1	Confident	74.9	Confident	8 Å²	8	53 Å²	53	8%	0.082	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-63.1	-27.9	-176.3	0	0	0	0	0	114.5	R514 E519 D617	R514-G619 PolarHBondContact NE-O 3.48Å; R514-G619 VanDerWaalsContact NH2-CA 3.28Å; R514-G619 PolarHBondContact NH2-O 3.44Å; E519-G619 WeakPolarHBondContact OE2-CA 3.43Å; D617-G619 PolarHBondContact O-N 2.92Å; D617-G619 WeakPolarHBondContact OD1-CA 3.5Å; D617-G619 PolarHBondContact OD1-N 3.31Å
620	F	80.6	Confident	72.1	Confident	89 Å²	89	56.3 Å²	56.3	39%	0.39	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-105.6	3.1	173.2	-61.9	-82.9	0	0	0	112.9	F489 H593 R594 D595 F618	F489-F620 HydrophobicContact CE1-CZ 4.07Å; F489-F620 HydrophobicContact CZ-CE2 4.3Å; F489-F620 HydrophobicContact CZ-CZ 4.16Å; H593-F620 CarbonylContact O-C 3.51Å; R594-F620 HydrophobicContact CB-CB 4.45Å; R594-F620 PolarHBondContact NE-O 3.28Å; R594-F620 PolarHBondContact NH2-O 3.19Å; D595-F620 HydrophobicContact CB-CB 3.84Å; D595-F620 HydrophobicContact CB-CD2 3.57Å; D595-F620 HydrophobicContact CB-CG 4.03Å; D595-F620 WeakPolarHBondContact OD2-CD2 3.28Å; F618-F620 PolarHBondContact O-N 2.76Å
621	A	81.7	Confident	69.3	Low	5 Å²	5	60.1 Å²	60.1	4%	0.041	32%	0.324	C	S	.	.			trans	-62.3	152.1	-179.5	0	0	0	0	0	111.5	I522 V592 H593 F618	I522-A621 HydrophobicContact CD1-CB 3.9Å; V592-A621 CarbonylContact O-C 3.55Å; V592-A621 WeakPolarHBondContact O-CA 3.05Å; H593-A621 WeakPolarHBondContact O-CA 3.46Å; H593-A621 PolarHBondContact O-N 3.35Å; F618-A621 HydrophobicContact CB-CB 3.77Å; F618-A621 HydrophobicContact CD1-CB 3.59Å; F618-A621 HydrophobicContact CG-CB 4.1Å; F618-A621 VanDerWaalsContact O-CB 3.28Å; F618-A621 WeakPolarHBondContact O-CB 3.4Å; F618-A621 PolarHBondContact O-N 2.86Å
622	K	74.5	Confident	66.4	Low	78 Å²	78	63.1 Å²	63.1	34%	0.339	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	126.5	-178.5	-161.4	75.7	-163.2	158.6	0	110.2	E518 V591 V592 L624	E518-K622 WeakPolarHBondContact OE1-CD 3.42Å; E518-K622 VanDerWaalsContact OE1-CE 3.3Å; E518-K622 WeakPolarHBondContact OE1-CE 3.35Å; E518-K622 IonicContact OE1-NZ 2.63Å; E518-K622 PolarHBondContact OE1-NZ 3.09Å; E518-K622 IonicContact OE2-NZ 3.9Å; E518-K622 PolarHBondContact OE2-NZ 2.98Å; V591-K622 WeakPolarHBondContact CA-O 3.47Å; V592-K622 PolarHBondContact N-O 2.91Å; V592-K622 PolarHBondContact O-N 3.24Å; K622-L624 PolarHBondContact O-N 2.89Å
623	Q	76.9	Confident	63.2	Low	44 Å²	44	69.3 Å²	69.3	21%	0.206	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	100.9	165.1	-176.4	73	84.8	0	0	107.3	E518 I522 N589 M590 R625	E518-Q623 PolarHBondContact OE1-N 3.17Å; I522-Q623 HydrophobicContact CD1-CB 4.42Å; N589-Q623 PolarHBondContact O-NE2 2.71Å; M590-Q623 VanDerWaalsContact C-NE2 3.3Å; M590-Q623 PolarHBondContact O-NE2 3.26Å; Q623-R625 PolarHBondContact O-N 2.79Å
624	L	65	Low	60	Low	29 Å²	29	74.9 Å²	74.9	15%	0.152	41%	0.406	C	S	.	.	P	Polyproline II helix	trans	-59.7	133.1	166.2	-53.8	171.6	0	0	0	107.8	M590 V592 K622 Q649 H652	M590-L624 HydrophobicContact CB-CB 4.16Å; M590-L624 WeakPolarHBondContact CB-O 3.27Å; M590-L624 HydrophobicContact CE-CB 4.14Å; M590-L624 WeakPolarHBondContact O-CA 3.04Å; M590-L624 WeakPolarHBondContact O-CB 3.41Å; M590-L624 WeakPolarHBondContact O-CG 3.41Å; M590-L624 PolarHBondContact O-N 3.11Å; V592-L624 HydrophobicContact CG2-CD1 3.53Å; V592-L624 HydrophobicContact CG2-CD2 4.47Å; V592-L624 HydrophobicContact CG2-CG 4.02Å; K622-L624 PolarHBondContact O-N 2.89Å; L624-Q649 HydrophobicContact CD1-CB 4.1Å; L624-Q649 HydrophobicContact CD1-CG 4.05Å; L624-H652 HydrophobicContact CD2-CB 4.49Å
625	R	53.3	Low	56.8	Low	199 Å²	199	78.1 Å²	78.1	75%	0.751	43%	0.434	S	S	*	.	P	Polyproline II helix	trans	-80.4	128.9	176.6	-65.4	-177	-179.1	173.7	0.3	109.3	Q623	Q623-R625 PolarHBondContact O-N 2.79Å
626	A	40.5	Very low	53.4	Low	61 Å²	61	88.2 Å²	88.2	50%	0.504	47%	0.473	S	S	.	.	P	Polyproline II helix	trans	-69.3	167.5	163.1	0	0	0	0	0	110.6	N628	A626-N628 PolarHBondContact O-N 3.43Å
627	E	37.6	Very low	50.6	Low	88 Å²	88	91.4 Å²	91.4	41%	0.411	49%	0.492	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-17.8	-163.6	-67.7	175.2	99	0	0	116.8	V641	E627-V641 VanDerWaalsContact CD-CG2 3.46Å; E627-V641 HydrophobicContact CG-CG1 4.37Å; E627-V641 HydrophobicContact CG-CG2 4.12Å; E627-V641 VanDerWaalsContact OE1-CA 3.28Å; E627-V641 WeakPolarHBondContact OE1-CA 3.34Å; E627-V641 WeakPolarHBondContact OE1-CG2 3.3Å; E627-V641 PolarHBondContact OE1-N 2.88Å
628	N	32.1	Very low	47.9	Very low	128 Å²	128	93 Å²	93	68%	0.684	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117	-5.1	-163	-56.8	22.6	0	0	0	114.5	A626 L630	A626-N628 PolarHBondContact O-N 3.43Å; N628-L630 PolarHBondContact O-N 3.25Å
629	G	35.8	Very low	45	Very low	68 Å²	68	99.3 Å²	99.3	70%	0.701	55%	0.546	S	S	*	.	S	Bend	trans	67.3	-5.2	-176.9	0	0	0	0	0	116.4
630	L	26.3	Very low	42.8	Very low	153 Å²	153	106.3 Å²	106.3	80%	0.801	57%	0.574	S	S	*	*			trans	-88.1	144.5	176.4	-84.6	150.9	0	0	0	112.2	N628	N628-L630 PolarHBondContact O-N 3.25Å
631	L	29	Very low	40.7	Very low	121 Å²	121	103.4 Å²	103.4	63%	0.634	56%	0.563	S	S	*	*			trans	-83.3	131.2	175.5	-77.7	153.7	0	0	0	111.2	R525	R525-L631 VanDerWaalsContact NH2-CD2 3.35Å
632	M	28.2	Very low	38.4	Very low	137 Å²	137	104.7 Å²	104.7	68%	0.675	57%	0.574	S	S	*	*			trans	57	80.9	151.6	-64.7	-66.8	-64.4	0	0	120
633	T	26.3	Very low	36.5	Very low	136 Å²	136	105 Å²	105	83%	0.834	59%	0.585	S	S	*	*			trans	-152.1	133.4	143.5	-28.1	0	0	0	0	110.9
634	P	26.6	Very low	34.6	Very low	118 Å²	118	105.2 Å²	105.2	77%	0.766	59%	0.585	S	S	*	*			trans	-84.2	121	-179.8	31.3	-33.3	0	0	0	112.4
635	C	27.4	Very low	33.1	Very low	112 Å²	112	105.7 Å²	105.7	76%	0.757	59%	0.589	S	S	*	*			trans	-178.6	125.6	150.9	-98.9	0	0	0	0	113.9
636	Y	25.4	Very low	32.5	Very low	215 Å²	215	100.6 Å²	100.6	84%	0.843	58%	0.576	S	S	*	*			trans	59.6	122.5	147	-75	-88.4	0	0	0	124.4
637	T	31.5	Very low	32.5	Very low	84 Å²	84	104 Å²	104	52%	0.515	58%	0.58	S	S	.	*			trans	104.7	93.5	144	-43.8	0	0	0	0	118.4	N639	T637-N639 VanDerWaalsContact C-N 3.29Å; T637-N639 HydrophobicContact CG2-CB 4.12Å; T637-N639 PolarHBondContact O-N 2.91Å; T637-N639 VanDerWaalsContact O-N 3.12Å
638	A	32	Very low	32.8	Very low	80 Å²	80	102 Å²	102	66%	0.661	57%	0.571	S	S	*	*			trans	-79.8	23.1	-176.2	0	0	0	0	0	116.6	F640	A638-F640 PolarHBondContact O-N 3.31Å
639	N	30	Very low	33.6	Very low	133 Å²	133	97.6 Å²	97.6	71%	0.711	55%	0.546	S	S	*	.	S	Bend	trans	-90.6	4.5	-166.8	-70.1	-13.6	0	0	0	115.2	T637	T637-N639 VanDerWaalsContact C-N 3.29Å; T637-N639 HydrophobicContact CG2-CB 4.12Å; T637-N639 PolarHBondContact O-N 2.91Å; T637-N639 VanDerWaalsContact O-N 3.12Å
640	F	39	Very low	34.4	Very low	154 Å²	154	96.1 Å²	96.1	68%	0.675	53%	0.531	S	S	*	.			trans	-124.6	-0.2	-172.5	-61.6	-72.7	0	0	0	114.9	A638 A642	A638-F640 PolarHBondContact O-N 3.31Å; F640-A642 PolarHBondContact O-N 3.01Å
641	V	35.4	Very low	35.9	Very low	28 Å²	28	94.2 Å²	94.2	17%	0.17	51%	0.514	C	S	.	.			trans	-71.3	123.3	-177.1	-156.9	0	0	0	0	109.8	E627 V645 L646	E627-V641 VanDerWaalsContact CD-CG2 3.46Å; E627-V641 HydrophobicContact CG-CG1 4.37Å; E627-V641 HydrophobicContact CG-CG2 4.12Å; E627-V641 VanDerWaalsContact OE1-CA 3.28Å; E627-V641 WeakPolarHBondContact OE1-CA 3.34Å; E627-V641 WeakPolarHBondContact OE1-CG2 3.3Å; E627-V641 PolarHBondContact OE1-N 2.88Å; V641-V645 HydrophobicContact CG1-CB 4.13Å; V641-V645 HydrophobicContact CG1-CG1 4.05Å; V641-L646 HydrophobicContact CB-CD1 4.01Å; V641-L646 HydrophobicContact CB-CD2 3.98Å; V641-L646 HydrophobicContact CB-CG 3.79Å; V641-L646 HydrophobicContact CG1-CD1 4.37Å; V641-L646 HydrophobicContact CG1-CD2 3.71Å; V641-L646 HydrophobicContact CG1-CG 3.6Å; V641-L646 HydrophobicContact CG2-CD2 4.11Å; V641-L646 HydrophobicContact CG2-CG 4.44Å
642	A	33.6	Very low	37.6	Very low	32 Å²	32	90.9 Å²	90.9	26%	0.264	50%	0.495	S	S	.	.			trans	-58.4	126.8	173.1	0	0	0	0	0	109.8	F640 E644 V645 L646 V790	F640-A642 PolarHBondContact O-N 3.01Å; A642-E644 HydrophobicContact CB-CG 4.37Å; A642-E644 VanDerWaalsContact CB-OE2 3.25Å; A642-E644 WeakPolarHBondContact CB-OE2 3.4Å; A642-E644 PolarHBondContact O-N 3.19Å; A642-E644 VanDerWaalsContact O-N 3.09Å; A642-V645 HydrophobicContact CB-CG2 4.14Å; A642-V645 WeakPolarHBondContact O-CA 3.09Å; A642-V645 WeakPolarHBondContact O-CB 3.42Å; A642-V645 PolarHBondContact O-N 2.77Å; A642-L646 PolarHBondContact O-N 2.65Å; A642-V790 HydrophobicContact CB-CG1 4.1Å
643	P	33.7	Very low	40	Very low	86 Å²	86	85.3 Å²	85.3	56%	0.558	47%	0.471	S	S	*	.	H	α-helix	trans	-52.2	-33.7	-174.1	-29.7	35.4	0	0	0	115.2	L646 K647	P643-L646 PolarHBondContact O-N 3.26Å; P643-K647 WeakPolarHBondContact O-CB 3.48Å; P643-K647 VanDerWaalsContact O-CG 3.27Å; P643-K647 WeakPolarHBondContact O-CG 3.19Å; P643-K647 PolarHBondContact O-N 2.94Å
644	E	38.1	Very low	42.7	Very low	48 Å²	48	79.1 Å²	79.1	22%	0.224	43%	0.433	C	S	.	.	H	α-helix	trans	-66.2	-34.4	174.6	60.3	-86.4	-124.8	0	0	113	A642 K647 M648 V790	A642-E644 HydrophobicContact CB-CG 4.37Å; A642-E644 VanDerWaalsContact CB-OE2 3.25Å; A642-E644 WeakPolarHBondContact CB-OE2 3.4Å; A642-E644 PolarHBondContact O-N 3.19Å; A642-E644 VanDerWaalsContact O-N 3.09Å; E644-K647 PolarHBondContact O-N 3.17Å; E644-M648 WeakPolarHBondContact O-CB 3.2Å; E644-M648 WeakPolarHBondContact O-CG 3.24Å; E644-M648 PolarHBondContact O-N 3.44Å; E644-V790 HydrophobicContact CG-CB 4.39Å; E644-V790 HydrophobicContact CG-CG1 3.78Å; E644-V790 HydrophobicContact CG-CG2 4.08Å; E644-V790 WeakPolarHBondContact OE1-CG1 3.4Å; E644-V790 WeakPolarHBondContact OE1-CG2 3.08Å
645	V	33.7	Very low	45.4	Very low	38 Å²	38	75.9 Å²	75.9	23%	0.23	41%	0.413	C	S	.	.	H	α-helix	trans	-69	-43.8	173	174.9	0	0	0	0	109.7	V641 A642 M648 Q649	V641-V645 HydrophobicContact CG1-CB 4.13Å; V641-V645 HydrophobicContact CG1-CG1 4.05Å; A642-V645 HydrophobicContact CB-CG2 4.14Å; A642-V645 WeakPolarHBondContact O-CA 3.09Å; A642-V645 WeakPolarHBondContact O-CB 3.42Å; A642-V645 PolarHBondContact O-N 2.77Å; V645-M648 PolarHBondContact O-N 3Å; V645-Q649 HydrophobicContact CG1-CG 4.32Å; V645-Q649 WeakPolarHBondContact O-CB 3.43Å; V645-Q649 WeakPolarHBondContact O-CG 3.37Å; V645-Q649 PolarHBondContact O-N 3.23Å
646	L	40.8	Very low	48.4	Very low	92 Å²	92	70.6 Å²	70.6	48%	0.482	38%	0.377	S	S	.	.	H	α-helix	trans	-61.1	-44.5	172.5	-68.8	175.6	0	0	0	112.1	V641 A642 P643 M648 Q649 G650	V641-L646 HydrophobicContact CB-CD1 4.01Å; V641-L646 HydrophobicContact CB-CD2 3.98Å; V641-L646 HydrophobicContact CB-CG 3.79Å; V641-L646 HydrophobicContact CG1-CD1 4.37Å; V641-L646 HydrophobicContact CG1-CD2 3.71Å; V641-L646 HydrophobicContact CG1-CG 3.6Å; V641-L646 HydrophobicContact CG2-CD2 4.11Å; V641-L646 HydrophobicContact CG2-CG 4.44Å; A642-L646 PolarHBondContact O-N 2.65Å; P643-L646 PolarHBondContact O-N 3.26Å; L646-M648 PolarHBondContact O-N 3.05Å; L646-Q649 PolarHBondContact O-N 2.9Å; L646-G650 PolarHBondContact O-N 3.24Å
647	K	41	Very low	51.5	Low	132 Å²	132	60.3 Å²	60.3	57%	0.574	34%	0.337	S	S	*	.	H	α-helix	trans	-58.3	-46.2	175.6	-76.1	170.7	-175.8	173	0	111.5	P643 E644 G650 Y651	P643-K647 WeakPolarHBondContact O-CB 3.48Å; P643-K647 VanDerWaalsContact O-CG 3.27Å; P643-K647 WeakPolarHBondContact O-CG 3.19Å; P643-K647 PolarHBondContact O-N 2.94Å; E644-K647 PolarHBondContact O-N 3.17Å; K647-G650 PolarHBondContact O-N 2.8Å; K647-Y651 WeakPolarHBondContact O-CB 3.41Å; K647-Y651 PolarHBondContact O-N 2.66Å
648	M	42.6	Very low	54.3	Low	47 Å²	47	56.9 Å²	56.9	23%	0.232	31%	0.314	C	S	.	.	H	α-helix	trans	-70.8	-39.8	179.4	-71.7	-151.1	112.2	0	0	113	E644 V645 L646 G650 Y651 H652 Q787	E644-M648 WeakPolarHBondContact O-CB 3.2Å; E644-M648 WeakPolarHBondContact O-CG 3.24Å; E644-M648 PolarHBondContact O-N 3.44Å; V645-M648 PolarHBondContact O-N 3Å; L646-M648 PolarHBondContact O-N 3.05Å; M648-G650 VanDerWaalsContact C-N 3.3Å; M648-G650 PolarHBondContact O-N 2.81Å; M648-Y651 PolarHBondContact O-N 3.23Å; M648-H652 PolarHBondContact O-N 2.9Å; M648-H652 VanDerWaalsContact O-N 3.07Å; M648-H652 PolarHBondContact O-ND1 2.77Å; M648-Q787 VanDerWaalsContact CE-NE2 3.27Å; M648-Q787 HydrophobicContact SD-CG 4.08Å
649	Q	50	Low	57.1	Low	35 Å²	35	53.2 Å²	53.2	16%	0.164	28%	0.284	C	S	.	.	H	α-helix	trans	-60.8	-43.5	173.4	-69.8	170.8	-10.8	0	0	110.3	M590 L624 V645 L646 H652 A653	M590-Q649 HydrophobicContact CE-CG 4.31Å; M590-Q649 VanDerWaalsContact CE-NE2 3.27Å; L624-Q649 HydrophobicContact CD1-CB 4.1Å; L624-Q649 HydrophobicContact CD1-CG 4.05Å; V645-Q649 HydrophobicContact CG1-CG 4.32Å; V645-Q649 WeakPolarHBondContact O-CB 3.43Å; V645-Q649 WeakPolarHBondContact O-CG 3.37Å; V645-Q649 PolarHBondContact O-N 3.23Å; L646-Q649 PolarHBondContact O-N 2.9Å; Q649-H652 PolarHBondContact O-N 2.61Å; Q649-A653 WeakPolarHBondContact O-CB 3.32Å; Q649-A653 PolarHBondContact O-N 2.86Å
650	G	52.5	Low	60.1	Low	37 Å²	37	46.9 Å²	46.9	38%	0.381	25%	0.25	S	S	.	.	H	α-helix	trans	-58.6	-46.3	171.7	0	0	0	0	0	113.3	L646 K647 M648 H652 A653 A654	L646-G650 PolarHBondContact O-N 3.24Å; K647-G650 PolarHBondContact O-N 2.8Å; M648-G650 VanDerWaalsContact C-N 3.3Å; M648-G650 PolarHBondContact O-N 2.81Å; G650-H652 PolarHBondContact O-N 2.73Å; G650-A653 PolarHBondContact O-N 3.01Å; G650-A654 WeakPolarHBondContact O-CB 3.12Å; G650-A654 PolarHBondContact O-N 2.96Å
651	Y	57.2	Low	62.7	Low	113 Å²	113	39.6 Å²	39.6	44%	0.443	22%	0.218	S	C	.	.	H	α-helix	trans	-58.4	-46.3	177.7	-177.8	-82	0	0	0	112.4	K647 M648 A654 C655 P720	K647-Y651 WeakPolarHBondContact O-CB 3.41Å; K647-Y651 PolarHBondContact O-N 2.66Å; M648-Y651 PolarHBondContact O-N 3.23Å; Y651-A654 PolarHBondContact O-N 2.69Å; Y651-C655 PolarHBondContact O-N 2.73Å; Y651-P720 HydrophobicContact CD2-CB 3.78Å; Y651-P720 HydrophobicContact CD2-CG 3.72Å; Y651-P720 HydrophobicContact CE2-CB 4.22Å; Y651-P720 HydrophobicContact CE2-CG 3.64Å; Y651-P720 HydrophobicContact CG-CB 4.45Å
652	H	65.7	Low	65.2	Low	52 Å²	52	38.2 Å²	38.2	24%	0.241	21%	0.21	C	C	.	.	H	α-helix	trans	-65.6	-49	179.3	-71.2	92.4	0	0	0	111.1	V592 L624 M648 Q649 G650 A654 C655	V592-H652 HydrophobicContact CB-CB 4.39Å; V592-H652 HydrophobicContact CG1-CB 4.08Å; V592-H652 WeakPolarHBondContact CG1-O 3.3Å; V592-H652 HydrophobicContact CG2-CB 4.02Å; L624-H652 HydrophobicContact CD2-CB 4.49Å; M648-H652 PolarHBondContact O-N 2.9Å; M648-H652 VanDerWaalsContact O-N 3.07Å; M648-H652 PolarHBondContact O-ND1 2.77Å; Q649-H652 PolarHBondContact O-N 2.61Å; G650-H652 PolarHBondContact O-N 2.73Å; H652-A654 VanDerWaalsContact C-N 3.26Å; H652-A654 PolarHBondContact O-N 3.48Å; H652-C655 WeakPolarHBondContact O-CB 3.42Å; H652-C655 PolarHBondContact O-N 2.92Å
653	A	78.3	Confident	67.8	Low	19 Å²	19	36.8 Å²	36.8	16%	0.157	20%	0.198	C	C	.	.	H	α-helix	trans	-59.9	-35.8	176.1	0	0	0	0	0	112.6	H587 V592 Q649 G650 C655 D656 V657	H587-A653 PolarHBondContact CE1-O 3.27Å; H587-A653 VanDerWaalsContact CE1-O 3.28Å; V592-A653 HydrophobicContact CG2-CB 4.42Å; Q649-A653 WeakPolarHBondContact O-CB 3.32Å; Q649-A653 PolarHBondContact O-N 2.86Å; G650-A653 PolarHBondContact O-N 3.01Å; A653-C655 PolarHBondContact O-N 2.99Å; A653-D656 PolarHBondContact O-N 2.81Å; A653-V657 PolarHBondContact O-N 2.92Å
654	A	83	Confident	70.6	Confident	6 Å²	6	32.7 Å²	32.7	5%	0.05	17%	0.171	C	C	.	.	H	α-helix	trans	-65.7	-20.9	175.3	0	0	0	0	0	113.1	G650 Y651 H652 W658 P720 R723	G650-A654 WeakPolarHBondContact O-CB 3.12Å; G650-A654 PolarHBondContact O-N 2.96Å; Y651-A654 PolarHBondContact O-N 2.69Å; H652-A654 VanDerWaalsContact C-N 3.26Å; H652-A654 PolarHBondContact O-N 3.48Å; A654-W658 WeakPolarHBondContact O-CB 3.11Å; A654-W658 PolarHBondContact O-N 3.12Å; A654-P720 HydrophobicContact CB-CB 3.91Å; A654-R723 HydrophobicContact CB-CB 4.32Å; A654-R723 WeakPolarHBondContact O-CD 3.27Å; A654-R723 PolarHBondContact O-NH1 3.43Å
655	C	82.9	Confident	72.9	Confident	51 Å²	51	30.8 Å²	30.8	35%	0.345	16%	0.162	S	C	.	.	H	α-helix	trans	-65.7	-48.7	171.6	-167.4	0	0	0	0	111	Y651 H652 A653 V657 W658 S659	Y651-C655 PolarHBondContact O-N 2.73Å; H652-C655 WeakPolarHBondContact O-CB 3.42Å; H652-C655 PolarHBondContact O-N 2.92Å; A653-C655 PolarHBondContact O-N 2.99Å; C655-V657 VanDerWaalsContact C-N 3.26Å; C655-V657 PolarHBondContact O-N 2.83Å; C655-W658 WeakPolarHBondContact O-CB 3.3Å; C655-W658 PolarHBondContact O-N 3.49Å; C655-W658 VanDerWaalsContact O-N 3.11Å; C655-S659 PolarHBondContact O-N 3.03Å; C655-S659 PolarHBondContact O-OG 2.68Å
656	D	89.5	Confident	75.3	Confident	0 Å²	0	29.1 Å²	29.1	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-62.1	-35.7	177.6	-62.5	-17.7	0	0	0	111.8	L583 H587 V592 H593 R594 A653 S659 L660	L583-D656 HydrophobicContact CD1-CB 3.92Å; L583-D656 HydrophobicContact CD2-CB 3.74Å; L583-D656 HydrophobicContact CG-CB 4.43Å; H587-D656 IonicContact CD2-OD2 3.93Å; H587-D656 IonicContact CE1-OD2 3.3Å; H587-D656 IonicContact NE2-OD2 3.67Å; H587-D656 PolarHBondContact NE2-OD2 2.78Å; V592-D656 VanDerWaalsContact CG1-OD2 3.24Å; V592-D656 WeakPolarHBondContact CG1-OD2 3.38Å; H593-D656 PolarHBondContact N-OD1 3.05Å; H593-D656 PolarHBondContact N-OD2 3.19Å; R594-D656 WeakPolarHBondContact CA-OD1 3.44Å; R594-D656 PolarHBondContact N-OD1 2.96Å; A653-D656 PolarHBondContact O-N 2.81Å; D656-S659 WeakPolarHBondContact O-CB 3.05Å; D656-S659 PolarHBondContact O-N 3.21Å; D656-L660 PolarHBondContact O-N 3.37Å
657	V	92.4	Very high	77.5	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-66.3	-42	174.4	173.3	0	0	0	0	111.9	A653 C655 L660 G661 M715 R723 C724 I729	A653-V657 PolarHBondContact O-N 2.92Å; C655-V657 VanDerWaalsContact C-N 3.26Å; C655-V657 PolarHBondContact O-N 2.83Å; V657-L660 PolarHBondContact O-N 3.01Å; V657-G661 PolarHBondContact O-N 3.3Å; V657-M715 HydrophobicContact CG1-CB 4.09Å; V657-M715 HydrophobicContact CG1-CG 3.99Å; V657-R723 HydrophobicContact CG1-CG 4.01Å; V657-C724 WeakPolarHBondContact CG1-O 3.4Å; V657-I729 HydrophobicContact CG1-CD1 3.81Å; V657-I729 HydrophobicContact CG2-CD1 4.2Å
658	W	89.4	Confident	79.6	Confident	11 Å²	11	19 Å²	19	4%	0.042	11%	0.105	C	C	.	.	H	α-helix	trans	-62	-45.9	175.1	176.9	-81.1	0	0	0	111	A654 C655 L660 G661 V662 F674 I689 L716 N717	A654-W658 WeakPolarHBondContact O-CB 3.11Å; A654-W658 PolarHBondContact O-N 3.12Å; C655-W658 WeakPolarHBondContact O-CB 3.3Å; C655-W658 PolarHBondContact O-N 3.49Å; C655-W658 VanDerWaalsContact O-N 3.11Å; W658-L660 VanDerWaalsContact C-N 3.33Å; W658-L660 PolarHBondContact O-N 2.64Å; W658-G661 WeakPolarHBondContact O-CA 3.48Å; W658-G661 PolarHBondContact O-N 3.08Å; W658-V662 PolarHBondContact O-N 2.95Å; W658-F674 AromaticContact CH2-CE2 3.94Å; W658-F674 HydrophobicContact CH2-CE2 3.94Å; W658-F674 AromaticContact CH2-CZ 3.74Å; W658-F674 HydrophobicContact CH2-CZ 3.74Å; W658-F674 HydrophobicContact CZ2-CD2 4.26Å; W658-F674 AromaticContact CZ2-CE2 3.34Å; W658-F674 HydrophobicContact CZ2-CE2 3.34Å; W658-F674 AromaticContact CZ2-CZ 3.65Å; W658-F674 HydrophobicContact CZ2-CZ 3.65Å; W658-I689 HydrophobicContact CH2-CG2 3.84Å; W658-I689 HydrophobicContact CZ2-CB 4.48Å; W658-I689 HydrophobicContact CZ2-CG1 4.22Å; W658-I689 HydrophobicContact CZ2-CG2 3.67Å; W658-L716 HydrophobicContact CD2-CD2 3.8Å; W658-L716 HydrophobicContact CE3-CB 4.43Å; W658-L716 HydrophobicContact CE3-CD2 4Å; W658-L716 HydrophobicContact CG-CD2 4.19Å; W658-L716 HydrophobicContact CZ2-CD2 4.41Å; W658-L716 VanDerWaalsContact CZ3-C 3.42Å; W658-L716 HydrophobicContact CZ3-CB 4.29Å; W658-L716 HydrophobicContact CZ3-CD2 4.41Å; W658-L716 WeakPolarHBondContact CZ3-O 3.45Å; W658-N717 WeakPolarHBondContact CZ3-O 3.48Å
659	S	90.2	Very high	81.2	Confident	4 Å²	4	17 Å²	17	3%	0.028	10%	0.095	C	C	.	.	H	α-helix	trans	-52.8	-49.3	172.3	-75.8	0	0	0	0	112.1	L596 C655 D656 G661 V662 I663 F765	L596-S659 WeakPolarHBondContact O-CB 3.42Å; L596-S659 PolarHBondContact O-OG 3.41Å; C655-S659 PolarHBondContact O-N 3.03Å; C655-S659 PolarHBondContact O-OG 2.68Å; D656-S659 WeakPolarHBondContact O-CB 3.05Å; D656-S659 PolarHBondContact O-N 3.21Å; S659-G661 VanDerWaalsContact C-N 3.27Å; S659-G661 PolarHBondContact O-N 3.39Å; S659-V662 PolarHBondContact O-N 3.43Å; S659-I663 VanDerWaalsContact O-CG1 3.3Å; S659-I663 WeakPolarHBondContact O-CG1 3.49Å; S659-I663 PolarHBondContact O-N 3.48Å; S659-F765 WeakPolarHBondContact OG-CE1 3.01Å
660	L	94.4	Very high	82.3	Confident	0 Å²	0	15.6 Å²	15.6	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-63.8	-33.1	176.4	-177.1	54.6	0	0	0	112	T576 I579 A580 L583 L596 D656 V657 W658 I663 M664 M715 I729	T576-L660 HydrophobicContact CG2-CD1 4.44Å; T576-L660 HydrophobicContact CG2-CD2 4.32Å; T576-L660 HydrophobicContact CG2-CG 4.39Å; I579-L660 HydrophobicContact CB-CD1 3.74Å; I579-L660 HydrophobicContact CB-CD2 4.2Å; I579-L660 HydrophobicContact CD1-CD1 3.82Å; I579-L660 HydrophobicContact CG1-CD1 4.39Å; I579-L660 HydrophobicContact CG2-CD1 3.7Å; I579-L660 HydrophobicContact CG2-CD2 4.09Å; I579-L660 HydrophobicContact CG2-CG 4.39Å; A580-L660 HydrophobicContact CB-CD2 3.89Å; L583-L660 HydrophobicContact CD1-CB 4.29Å; L583-L660 HydrophobicContact CD1-CD2 4.08Å; L596-L660 HydrophobicContact CD2-CB 4.25Å; D656-L660 PolarHBondContact O-N 3.37Å; V657-L660 PolarHBondContact O-N 3.01Å; W658-L660 VanDerWaalsContact C-N 3.33Å; W658-L660 PolarHBondContact O-N 2.64Å; L660-I663 PolarHBondContact O-N 2.97Å; L660-M664 WeakPolarHBondContact O-CB 3.42Å; L660-M664 PolarHBondContact O-N 3.06Å; L660-M715 VanDerWaalsContact C-CE 3.49Å; L660-M715 HydrophobicContact CB-CE 3.78Å; L660-M715 HydrophobicContact CD2-CE 4.02Å; L660-M715 HydrophobicContact CG-CE 3.53Å; L660-I729 HydrophobicContact CD2-CD1 4.41Å
661	G	92.5	Very high	83.3	Confident	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.087	C	C	.	.	H	α-helix	trans	-63.7	-41.4	173.6	0	0	0	0	0	112.6	V657 W658 S659 M664 Y665 M715	V657-G661 PolarHBondContact O-N 3.3Å; W658-G661 WeakPolarHBondContact O-CA 3.48Å; W658-G661 PolarHBondContact O-N 3.08Å; S659-G661 VanDerWaalsContact C-N 3.27Å; S659-G661 PolarHBondContact O-N 3.39Å; G661-M664 PolarHBondContact O-N 2.94Å; G661-Y665 WeakPolarHBondContact O-CB 2.95Å; G661-Y665 PolarHBondContact O-N 3.26Å; G661-M715 VanDerWaalsContact N-CE 3.28Å
662	V	88.6	Confident	84.2	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-65.1	-40.4	174.1	175.2	0	0	0	0	110.7	W658 S659 T666 P673 L716 T764 F765	W658-V662 PolarHBondContact O-N 2.95Å; S659-V662 PolarHBondContact O-N 3.43Å; V662-T666 WeakPolarHBondContact O-CB 3.34Å; V662-T666 PolarHBondContact O-N 3.29Å; V662-T666 PolarHBondContact O-OG1 3.18Å; V662-P673 HydrophobicContact CG1-CG 4.39Å; V662-P673 HydrophobicContact CG2-CG 4.19Å; V662-L716 HydrophobicContact CG2-CD2 3.86Å; V662-T764 HydrophobicContact CG1-CG2 4.46Å; V662-F765 HydrophobicContact CB-CZ 4.11Å; V662-F765 HydrophobicContact CG1-CE2 4.1Å; V662-F765 HydrophobicContact CG1-CZ 4.03Å
663	I	88.8	Confident	84.7	Confident	1 Å²	1	10.8 Å²	10.8	1%	0.005	6%	0.063	C	C	.	.	H	α-helix	trans	-64.3	-50.1	175.8	-63.3	167.8	0	0	0	110.5	L557 L596 P598 S659 L660 Y665 T666 M667	L557-I663 HydrophobicContact CD2-CG2 4.21Å; L596-I663 HydrophobicContact CD2-CD1 4.43Å; L596-I663 HydrophobicContact CG-CD1 4.16Å; P598-I663 HydrophobicContact CG-CG1 3.98Å; S659-I663 VanDerWaalsContact O-CG1 3.3Å; S659-I663 WeakPolarHBondContact O-CG1 3.49Å; S659-I663 PolarHBondContact O-N 3.48Å; L660-I663 PolarHBondContact O-N 2.97Å; I663-Y665 PolarHBondContact O-N 3.1Å; I663-T666 PolarHBondContact O-N 3.05Å; I663-T666 VanDerWaalsContact O-N 3.09Å; I663-M667 HydrophobicContact CG2-CE 4.3Å; I663-M667 HydrophobicContact CG2-CG 4.44Å; I663-M667 HydrophobicContact CG2-SD 4.43Å; I663-M667 WeakPolarHBondContact O-CG 3.43Å; I663-M667 PolarHBondContact O-N 3.01Å
664	M	91.2	Very high	84.7	Confident	0 Å²	0	10 Å²	10	0%	0	6%	0.056	C	C	.	.	H	α-helix	trans	-58.2	-45	177.5	-178.8	-171.9	162.4	0	0	111.8	T576 L660 G661 T666 M667 L668 A708 L711 L712 M715 W734	T576-M664 HydrophobicContact CG2-SD 4.23Å; L660-M664 WeakPolarHBondContact O-CB 3.42Å; L660-M664 PolarHBondContact O-N 3.06Å; G661-M664 PolarHBondContact O-N 2.94Å; M664-T666 VanDerWaalsContact C-N 3.33Å; M664-T666 PolarHBondContact O-N 3.43Å; M664-M667 PolarHBondContact O-N 3.26Å; M664-L668 HydrophobicContact CE-CD1 3.72Å; M664-L668 HydrophobicContact CG-CD1 4.08Å; M664-L668 WeakPolarHBondContact O-CG 3.36Å; M664-L668 PolarHBondContact O-N 2.54Å; M664-L668 VanDerWaalsContact O-N 3.08Å; M664-A708 HydrophobicContact CE-CB 4.21Å; M664-L711 HydrophobicContact CE-CB 4.3Å; M664-L711 HydrophobicContact CE-CD2 4.07Å; M664-L711 HydrophobicContact CE-CG 4.32Å; M664-L711 HydrophobicContact SD-CD2 4.02Å; M664-L711 HydrophobicContact SD-CG 4.21Å; M664-L712 HydrophobicContact CB-CD2 3.96Å; M664-L712 HydrophobicContact CE-CD1 4.38Å; M664-L712 HydrophobicContact CE-CD2 4.05Å; M664-L712 HydrophobicContact CE-CG 3.73Å; M664-L712 HydrophobicContact CG-CD2 3.8Å; M664-L712 HydrophobicContact CG-CG 4.47Å; M664-L712 HydrophobicContact SD-CD2 3.67Å; M664-L712 HydrophobicContact SD-CG 4Å; M664-M715 HydrophobicContact SD-SD 3.9Å; M664-W734 HydrophobicContact CE-CD2 4.23Å; M664-W734 HydrophobicContact CE-CE3 3.8Å; M664-W734 HydrophobicContact CE-CH2 3.59Å; M664-W734 HydrophobicContact CE-CZ2 4.04Å; M664-W734 HydrophobicContact CE-CZ3 3.44Å; M664-W734 VanDerWaalsContact CE-CZ3 3.44Å; M664-W734 HydrophobicContact CG-CH2 4.39Å; M664-W734 HydrophobicContact CG-CZ3 4.41Å; M664-W734 HydrophobicContact SD-CH2 4.37Å; M664-W734 HydrophobicContact SD-CZ3 3.93Å
665	Y	87.6	Confident	84.1	Confident	9 Å²	9	9.9 Å²	9.9	4%	0.035	6%	0.055	C	C	.	.	H	α-helix	trans	-58.3	-46.9	173.9	-173.9	-74.6	0	0	0	110.7	G661 I663 M667 L668 F669 Q671 P673 W701 L712	G661-Y665 WeakPolarHBondContact O-CB 2.95Å; G661-Y665 PolarHBondContact O-N 3.26Å; I663-Y665 PolarHBondContact O-N 3.1Å; Y665-M667 VanDerWaalsContact C-N 3.32Å; Y665-M667 PolarHBondContact O-N 3.38Å; Y665-L668 PolarHBondContact O-N 3.5Å; Y665-F669 HydrophobicContact CD1-CB 4.18Å; Y665-F669 HydrophobicContact CD1-CD2 4.38Å; Y665-F669 HydrophobicContact CD2-CD2 4.35Å; Y665-F669 HydrophobicContact CE1-CB 3.85Å; Y665-F669 HydrophobicContact CE1-CD2 4.35Å; Y665-F669 HydrophobicContact CE1-CG 4.22Å; Y665-F669 HydrophobicContact CE2-CD2 4.35Å; Y665-F669 HydrophobicContact CG-CD2 4.36Å; Y665-F669 WeakPolarHBondContact O-CB 3.48Å; Y665-F669 WeakPolarHBondContact O-CD2 3.38Å; Y665-F669 PolarHBondContact O-N 3.28Å; Y665-Q671 VanDerWaalsContact CD1-O 3.31Å; Y665-Q671 WeakPolarHBondContact CD1-O 3.21Å; Y665-Q671 HydrophobicContact CE1-CG 4.12Å; Y665-Q671 WeakPolarHBondContact CE1-O 3.07Å; Y665-P673 HydrophobicContact CD1-CB 3.94Å; Y665-P673 HydrophobicContact CD1-CG 4.11Å; Y665-P673 HydrophobicContact CD2-CB 3.84Å; Y665-P673 HydrophobicContact CD2-CG 4.43Å; Y665-P673 HydrophobicContact CE1-CB 4.03Å; Y665-P673 HydrophobicContact CE2-CB 3.91Å; Y665-P673 HydrophobicContact CG-CB 3.87Å; Y665-P673 HydrophobicContact CG-CG 4.03Å; Y665-W701 HydrophobicContact CD2-CH2 4.39Å; Y665-W701 HydrophobicContact CD2-CZ2 4.41Å; Y665-W701 HydrophobicContact CE2-CH2 4.12Å; Y665-W701 AromaticContact CE2-CZ2 3.7Å; Y665-W701 HydrophobicContact CE2-CZ2 3.7Å; Y665-L712 HydrophobicContact CD2-CD1 4.28Å
666	T	83.7	Confident	83.6	Confident	2 Å²	2	12.9 Å²	12.9	1%	0.012	7%	0.066	C	C	.	.	H	α-helix	trans	-63.5	-37	-179.8	-51.5	0	0	0	0	112.2	L558 F562 V662 I663 M664 G670 Q671 T757 V761	L558-T666 HydrophobicContact CD1-CG2 4.06Å; L558-T666 HydrophobicContact CD2-CG2 4.18Å; F562-T666 HydrophobicContact CZ-CG2 4.47Å; V662-T666 WeakPolarHBondContact O-CB 3.34Å; V662-T666 PolarHBondContact O-N 3.29Å; V662-T666 PolarHBondContact O-OG1 3.18Å; I663-T666 PolarHBondContact O-N 3.05Å; I663-T666 VanDerWaalsContact O-N 3.09Å; M664-T666 VanDerWaalsContact C-N 3.33Å; M664-T666 PolarHBondContact O-N 3.43Å; T666-G670 WeakPolarHBondContact O-CA 3.32Å; T666-G670 PolarHBondContact O-N 2.89Å; T666-Q671 WeakPolarHBondContact CA-O 3.26Å; T666-T757 HydrophobicContact CG2-CG2 3.78Å; T666-V761 HydrophobicContact CG2-CG2 3.95Å
667	M	86	Confident	82.6	Confident	11 Å²	11	19.2 Å²	19.2	5%	0.054	9%	0.094	C	C	.	.	H	α-helix	trans	-66.7	-37	175.4	-69.6	-166.8	-61.4	0	0	113.2	L557 L558 I561 L567 A572 I575 T576 I663 M664 Y665	L557-M667 HydrophobicContact CD2-SD 4.31Å; L558-M667 HydrophobicContact CD2-CG 4.49Å; I561-M667 HydrophobicContact CD1-CG 3.85Å; I561-M667 HydrophobicContact CD1-SD 3.82Å; L567-M667 HydrophobicContact CD1-CB 4.15Å; L567-M667 HydrophobicContact CD1-CG 4.35Å; L567-M667 HydrophobicContact CD1-SD 4.21Å; A572-M667 HydrophobicContact CB-CB 4.31Å; I575-M667 HydrophobicContact CB-CE 4.16Å; I575-M667 HydrophobicContact CB-SD 4.02Å; I575-M667 HydrophobicContact CD1-SD 3.92Å; I575-M667 HydrophobicContact CG2-CE 3.94Å; I575-M667 HydrophobicContact CG2-SD 3.66Å; T576-M667 WeakPolarHBondContact OG1-CE 3.44Å; I663-M667 HydrophobicContact CG2-CE 4.3Å; I663-M667 HydrophobicContact CG2-CG 4.44Å; I663-M667 HydrophobicContact CG2-SD 4.43Å; I663-M667 WeakPolarHBondContact O-CG 3.43Å; I663-M667 PolarHBondContact O-N 3.01Å; M664-M667 PolarHBondContact O-N 3.26Å; Y665-M667 VanDerWaalsContact C-N 3.32Å; Y665-M667 PolarHBondContact O-N 3.38Å
668	L	84.5	Confident	81.1	Confident	2 Å²	2	20.6 Å²	20.6	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-84.5	-25.5	-178.9	-65.9	172.4	0	0	0	113.4	E569 A572 M664 Y665 I704 A708 L712 W734 L746	E569-L668 HydrophobicContact CG-CD2 4.25Å; A572-L668 HydrophobicContact CB-CD2 3.57Å; A572-L668 HydrophobicContact CB-CG 4.23Å; M664-L668 HydrophobicContact CE-CD1 3.72Å; M664-L668 HydrophobicContact CG-CD1 4.08Å; M664-L668 WeakPolarHBondContact O-CG 3.36Å; M664-L668 PolarHBondContact O-N 2.54Å; M664-L668 VanDerWaalsContact O-N 3.08Å; Y665-L668 PolarHBondContact O-N 3.5Å; L668-I704 HydrophobicContact CB-CD1 4.42Å; L668-I704 HydrophobicContact CD2-CD1 4.26Å; L668-A708 HydrophobicContact CD1-CB 4.23Å; L668-L712 HydrophobicContact CD1-CD1 4.21Å; L668-W734 HydrophobicContact CD1-CH2 4.46Å; L668-W734 HydrophobicContact CD1-CZ2 4.36Å; L668-W734 HydrophobicContact CD2-CZ2 4.32Å; L668-L746 HydrophobicContact CD2-CD1 3.9Å
669	F	77.3	Confident	80.2	Confident	5 Å²	5	27.6 Å²	27.6	2%	0.022	14%	0.141	C	C	.	.	H	α-helix	trans	-121.6	-4.1	-171.5	-70.7	-81.5	0	0	0	116	Y665 Q671 W701 I704 V749	Y665-F669 HydrophobicContact CD1-CB 4.18Å; Y665-F669 HydrophobicContact CD1-CD2 4.38Å; Y665-F669 HydrophobicContact CD2-CD2 4.35Å; Y665-F669 HydrophobicContact CE1-CB 3.85Å; Y665-F669 HydrophobicContact CE1-CD2 4.35Å; Y665-F669 HydrophobicContact CE1-CG 4.22Å; Y665-F669 HydrophobicContact CE2-CD2 4.35Å; Y665-F669 HydrophobicContact CG-CD2 4.36Å; Y665-F669 WeakPolarHBondContact O-CB 3.48Å; Y665-F669 WeakPolarHBondContact O-CD2 3.38Å; Y665-F669 PolarHBondContact O-N 3.28Å; F669-Q671 HydrophobicContact CB-CG 4.13Å; F669-Q671 PolarHBondContact O-N 3.47Å; F669-W701 HydrophobicContact CD1-CZ2 4.34Å; F669-W701 AromaticContact CD2-CH2 3.96Å; F669-W701 HydrophobicContact CD2-CH2 3.96Å; F669-W701 AromaticContact CD2-CZ2 3.98Å; F669-W701 HydrophobicContact CD2-CZ2 3.98Å; F669-W701 AromaticContact CE1-CD2 3.62Å; F669-W701 HydrophobicContact CE1-CD2 3.62Å; F669-W701 AromaticContact CE1-CE2 3.44Å; F669-W701 VanDerWaalsContact CE1-CE2 3.44Å; F669-W701 HydrophobicContact CE1-CE3 4.08Å; F669-W701 AromaticContact CE1-CG 4Å; F669-W701 HydrophobicContact CE1-CG 4Å; F669-W701 HydrophobicContact CE1-CH2 4.25Å; F669-W701 AromaticContact CE1-CZ2 3.79Å; F669-W701 HydrophobicContact CE1-CZ2 3.79Å; F669-W701 HydrophobicContact CE1-CZ3 4.37Å; F669-W701 AromaticContact CE1-NE1 3.76Å; F669-W701 HydrophobicContact CE2-CD2 4.16Å; F669-W701 AromaticContact CE2-CE2 3.9Å; F669-W701 AromaticContact CE2-CE3 3.89Å; F669-W701 HydrophobicContact CE2-CE3 3.89Å; F669-W701 AromaticContact CE2-CH2 3.12Å; F669-W701 HydrophobicContact CE2-CH2 3.12Å; F669-W701 AromaticContact CE2-CZ2 3.41Å; F669-W701 HydrophobicContact CE2-CZ2 3.41Å; F669-W701 VanDerWaalsContact CE2-CZ2 3.41Å; F669-W701 AromaticContact CE2-CZ3 3.38Å; F669-W701 HydrophobicContact CE2-CZ3 3.38Å; F669-W701 HydrophobicContact CG-CZ2 4.44Å; F669-W701 AromaticContact CZ-CD2 3.25Å; F669-W701 HydrophobicContact CZ-CD2 3.25Å; F669-W701 AromaticContact CZ-CE2 3.26Å; F669-W701 AromaticContact CZ-CE3 3.23Å; F669-W701 HydrophobicContact CZ-CE3 3.23Å; F669-W701 HydrophobicContact CZ-CG 4.06Å; F669-W701 AromaticContact CZ-CH2 3.31Å; F669-W701 HydrophobicContact CZ-CH2 3.31Å; F669-W701 AromaticContact CZ-CZ2 3.31Å; F669-W701 HydrophobicContact CZ-CZ2 3.31Å; F669-W701 AromaticContact CZ-CZ3 3.26Å; F669-W701 HydrophobicContact CZ-CZ3 3.26Å; F669-I704 HydrophobicContact CE1-CG1 4.25Å; F669-I704 HydrophobicContact CE2-CG1 4.33Å; F669-I704 HydrophobicContact CZ-CB 4.28Å; F669-I704 HydrophobicContact CZ-CG1 3.64Å; F669-I704 HydrophobicContact CZ-CG2 4.39Å; F669-V749 WeakPolarHBondContact O-CG1 3.21Å
670	G	73.7	Confident	79.3	Confident	4 Å²	4	29.1 Å²	29.1	4%	0.041	15%	0.148	C	C	.	.	S	Bend	trans	63.4	4.9	179.3	0	0	0	0	0	115.2	T666 T757	T666-G670 WeakPolarHBondContact O-CA 3.32Å; T666-G670 PolarHBondContact O-N 2.89Å; G670-T757 WeakPolarHBondContact O-CG2 3.42Å; G670-T757 PolarHBondContact O-OG1 2.94Å
671	Q	73.5	Confident	78.3	Confident	74 Å²	74	31.7 Å²	31.7	35%	0.346	17%	0.165	S	C	.	.	S	Bend	trans	-142.5	168.9	-177.9	72.4	-179.2	-3.6	0	0	109.6	Y665 T666 F669	Y665-Q671 VanDerWaalsContact CD1-O 3.31Å; Y665-Q671 WeakPolarHBondContact CD1-O 3.21Å; Y665-Q671 HydrophobicContact CE1-CG 4.12Å; Y665-Q671 WeakPolarHBondContact CE1-O 3.07Å; T666-Q671 WeakPolarHBondContact CA-O 3.26Å; F669-Q671 HydrophobicContact CB-CG 4.13Å; F669-Q671 PolarHBondContact O-N 3.47Å
672	T	75.8	Confident	77.3	Confident	9 Å²	9	33.4 Å²	33.4	6%	0.055	18%	0.178	C	C	.	.			trans	-92.6	155.6	-179.8	96.7	0	0	0	0	112	F674 A675 V761 T764	T672-F674 VanDerWaalsContact C-N 3.3Å; T672-F674 PolarHBondContact O-N 2.71Å; T672-F674 PolarHBondContact OG1-N 3.45Å; T672-A675 WeakPolarHBondContact OG1-CA 3.38Å; T672-A675 PolarHBondContact OG1-N 2.98Å; T672-A675 PolarHBondContact OG1-O 2.69Å; T672-V761 HydrophobicContact CG2-CB 4.28Å; T672-V761 HydrophobicContact CG2-CG2 3.56Å; T672-T764 PolarHBondContact OG1-OG1 2.76Å
673	P	76.5	Confident	76.5	Confident	18 Å²	18	39.2 Å²	39.2	12%	0.117	21%	0.205	C	C	.	.	S	Bend	trans	-71.7	-18.4	179.5	23.8	-29.1	0	0	0	114.6	V662 Y665 L694 L716	V662-P673 HydrophobicContact CG1-CG 4.39Å; V662-P673 HydrophobicContact CG2-CG 4.19Å; Y665-P673 HydrophobicContact CD1-CB 3.94Å; Y665-P673 HydrophobicContact CD1-CG 4.11Å; Y665-P673 HydrophobicContact CD2-CB 3.84Å; Y665-P673 HydrophobicContact CD2-CG 4.43Å; Y665-P673 HydrophobicContact CE1-CB 4.03Å; Y665-P673 HydrophobicContact CE2-CB 3.91Å; Y665-P673 HydrophobicContact CG-CB 3.87Å; Y665-P673 HydrophobicContact CG-CG 4.03Å; P673-L694 HydrophobicContact CB-CD2 3.93Å; P673-L716 HydrophobicContact CB-CD1 4.41Å; P673-L716 HydrophobicContact CG-CD1 4.26Å
674	F	78.1	Confident	75.8	Confident	4 Å²	4	41.9 Å²	41.9	2%	0.018	22%	0.221	C	C	.	.	S	Bend	trans	-133.8	-37.3	-168.8	-53	-64.3	0	0	0	115	W658 T672 V685 R688 I689 L694 T764	W658-F674 AromaticContact CH2-CE2 3.94Å; W658-F674 HydrophobicContact CH2-CE2 3.94Å; W658-F674 AromaticContact CH2-CZ 3.74Å; W658-F674 HydrophobicContact CH2-CZ 3.74Å; W658-F674 HydrophobicContact CZ2-CD2 4.26Å; W658-F674 AromaticContact CZ2-CE2 3.34Å; W658-F674 HydrophobicContact CZ2-CE2 3.34Å; W658-F674 AromaticContact CZ2-CZ 3.65Å; W658-F674 HydrophobicContact CZ2-CZ 3.65Å; T672-F674 VanDerWaalsContact C-N 3.3Å; T672-F674 PolarHBondContact O-N 2.71Å; T672-F674 PolarHBondContact OG1-N 3.45Å; F674-V685 HydrophobicContact CB-CG1 3.94Å; F674-R688 HydrophobicContact CD1-CB 4.29Å; F674-R688 VanDerWaalsContact O-CD 3.28Å; F674-R688 WeakPolarHBondContact O-CD 3.49Å; F674-R688 PolarHBondContact O-NH1 3.07Å; F674-I689 HydrophobicContact CB-CD1 4.4Å; F674-I689 HydrophobicContact CB-CG1 3.89Å; F674-I689 HydrophobicContact CD1-CG1 3.79Å; F674-I689 HydrophobicContact CD2-CD1 4.19Å; F674-I689 HydrophobicContact CD2-CG1 3.56Å; F674-I689 HydrophobicContact CE1-CG1 4.19Å; F674-I689 HydrophobicContact CE2-CG1 4Å; F674-I689 HydrophobicContact CG-CD1 4.31Å; F674-I689 HydrophobicContact CG-CG1 3.46Å; F674-I689 VanDerWaalsContact CG-CG1 3.46Å; F674-I689 HydrophobicContact CZ-CG1 4.29Å; F674-L694 HydrophobicContact CE1-CD2 3.9Å; F674-L694 HydrophobicContact CZ-CD2 3.72Å; F674-T764 HydrophobicContact CB-CG2 4.42Å; F674-T764 HydrophobicContact CD2-CG2 4.1Å
675	A	69.9	Low	74.8	Confident	3 Å²	3	41.9 Å²	41.9	3%	0.025	22%	0.221	C	C	.	.			trans	-90.8	112.1	170.7	0	0	0	0	0	109.9	T672 V685 S760 A763 T764	T672-A675 WeakPolarHBondContact OG1-CA 3.38Å; T672-A675 PolarHBondContact OG1-N 2.98Å; T672-A675 PolarHBondContact OG1-O 2.69Å; A675-V685 HydrophobicContact CB-CG1 4.47Å; A675-V685 HydrophobicContact CB-CG2 4.04Å; A675-S760 WeakPolarHBondContact CB-O 3.43Å; A675-A763 HydrophobicContact CB-CB 4.25Å; A675-T764 VanDerWaalsContact CB-OG1 3.27Å; A675-T764 WeakPolarHBondContact CB-OG1 3.38Å
676	I	71.1	Confident	73.9	Confident	113 Å²	113	42.3 Å²	42.3	58%	0.579	22%	0.224	S	C	*	.	S	Bend	trans	-87.2	-25.3	179.4	-57.5	175.6	0	0	0	110.1	E680	I676-E680 WeakPolarHBondContact CA-OE2 3.32Å; I676-E680 PolarHBondContact N-OE2 3.38Å
677	K	69.1	Low	73.2	Confident	134 Å²	134	45.2 Å²	45.2	58%	0.583	24%	0.244	S	C	*	.	S	Bend	trans	-133.9	150	176.1	-44.2	177.1	179.9	176.4	0	112.1	N679 E680	K677-N679 PolarHBondContact O-N 2.82Å; K677-N679 VanDerWaalsContact O-N 3.07Å; K677-E680 HydrophobicContact CB-CG 3.86Å; K677-E680 HydrophobicContact CG-CG 4.35Å; K677-E680 PolarHBondContact N-OE2 3.37Å; K677-E680 VanDerWaalsContact N-OE2 3.08Å; K677-E680 PolarHBondContact O-N 2.88Å
678	P	62.1	Low	72.6	Confident	29 Å²	29	47.8 Å²	47.8	19%	0.188	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	-30.2	-179.3	-32.8	38	0	0	0	116.4	Q756 N759	P678-Q756 HydrophobicContact CG-CB 3.94Å; P678-Q756 HydrophobicContact CG-CG 4.15Å; P678-N759 HydrophobicContact CB-CB 3.77Å; P678-N759 HydrophobicContact CG-CB 4.36Å
679	N	69.1	Low	72.1	Confident	158 Å²	158	48.6 Å²	48.6	85%	0.845	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.3	23.1	-170.4	-62.7	-13.4	0	0	0	112.6	K677	K677-N679 PolarHBondContact O-N 2.82Å; K677-N679 VanDerWaalsContact O-N 3.07Å
680	E	71.6	Confident	71.5	Confident	36 Å²	36	54.5 Å²	54.5	17%	0.168	29%	0.285	C	S	.	.			trans	-69.1	142.5	172.2	-65.3	-171.8	115.5	0	0	110.9	I676 K677 V685 R688	I676-E680 WeakPolarHBondContact CA-OE2 3.32Å; I676-E680 PolarHBondContact N-OE2 3.38Å; K677-E680 HydrophobicContact CB-CG 3.86Å; K677-E680 HydrophobicContact CG-CG 4.35Å; K677-E680 PolarHBondContact N-OE2 3.37Å; K677-E680 VanDerWaalsContact N-OE2 3.08Å; K677-E680 PolarHBondContact O-N 2.88Å; E680-V685 HydrophobicContact CB-CG2 3.97Å; E680-R688 IonicContact OE1-CZ 3.38Å; E680-R688 IonicContact OE1-NH1 3.73Å; E680-R688 PolarHBondContact OE1-NH1 3.44Å; E680-R688 VanDerWaalsContact OE1-NH1 3.12Å; E680-R688 IonicContact OE1-NH2 2.82Å; E680-R688 PolarHBondContact OE1-NH2 3.23Å; E680-R688 IonicContact OE2-CZ 3.49Å; E680-R688 IonicContact OE2-NH1 3.83Å; E680-R688 PolarHBondContact OE2-NH1 3.29Å; E680-R688 IonicContact OE2-NH2 2.69Å
681	S	73.2	Confident	71.4	Confident	53 Å²	53	57.1 Å²	57.1	37%	0.371	30%	0.303	S	S	.	.			trans	-71.6	155.1	-179.8	84.9	0	0	0	0	111	E683 V684 V685	S681-E683 WeakPolarHBondContact CB-OE2 3.38Å; S681-E683 PolarHBondContact O-N 3.01Å; S681-E683 PolarHBondContact OG-OE2 3.26Å; S681-V684 PolarHBondContact O-N 3.33Å; S681-V684 VanDerWaalsContact O-N 3.16Å; S681-V685 PolarHBondContact O-N 3.04Å
682	S	72.8	Confident	70.9	Confident	37 Å²	37	55.2 Å²	55.2	26%	0.259	30%	0.304	S	S	.	.	H	α-helix	trans	-48.1	-45.2	176.1	19.4	0	0	0	0	111.6	V684 V685 L686 S770	S682-V684 PolarHBondContact O-N 3.22Å; S682-V685 PolarHBondContact O-N 2.88Å; S682-L686 VanDerWaalsContact O-CB 3.31Å; S682-L686 WeakPolarHBondContact O-CB 3.35Å; S682-L686 WeakPolarHBondContact O-CG 3.44Å; S682-L686 PolarHBondContact O-N 3.2Å; S682-S770 VanDerWaalsContact CB-OG 3.31Å; S682-S770 WeakPolarHBondContact CB-OG 3.43Å
683	E	69.8	Low	70.4	Confident	121 Å²	121	64.8 Å²	64.8	57%	0.565	34%	0.339	S	S	*	.	H	α-helix	trans	-65.8	-39	-174.5	-52.2	67.5	-131.8	0	0	111.7	S681 S687	S681-E683 WeakPolarHBondContact CB-OE2 3.38Å; S681-E683 PolarHBondContact O-N 3.01Å; S681-E683 PolarHBondContact OG-OE2 3.26Å; E683-S687 WeakPolarHBondContact O-CB 3.5Å; E683-S687 PolarHBondContact O-N 3.06Å
684	V	75.2	Confident	70.2	Confident	57 Å²	57	65.3 Å²	65.3	35%	0.345	34%	0.34	S	S	.	.	H	α-helix	trans	-67.5	-46.7	177.3	175	0	0	0	0	110.6	S681 S682 L686 S687 R688	S681-V684 PolarHBondContact O-N 3.33Å; S681-V684 VanDerWaalsContact O-N 3.16Å; S682-V684 PolarHBondContact O-N 3.22Å; V684-L686 VanDerWaalsContact C-N 3.33Å; V684-L686 PolarHBondContact O-N 2.83Å; V684-S687 PolarHBondContact O-N 2.73Å; V684-S687 PolarHBondContact O-OG 3.22Å; V684-R688 PolarHBondContact O-N 2.98Å
685	V	70.4	Confident	69.7	Low	1 Å²	1	68.9 Å²	68.9	1%	0.006	36%	0.36	C	S	.	.	H	α-helix	trans	-63.8	-41.1	177.9	-179.1	0	0	0	0	110.8	F674 A675 E680 S681 S682 R688 I689 A767	F674-V685 HydrophobicContact CB-CG1 3.94Å; A675-V685 HydrophobicContact CB-CG1 4.47Å; A675-V685 HydrophobicContact CB-CG2 4.04Å; E680-V685 HydrophobicContact CB-CG2 3.97Å; S681-V685 PolarHBondContact O-N 3.04Å; S682-V685 PolarHBondContact O-N 2.88Å; V685-R688 PolarHBondContact O-N 3.39Å; V685-I689 HydrophobicContact CG1-CD1 4.02Å; V685-I689 WeakPolarHBondContact O-CG1 3.34Å; V685-I689 PolarHBondContact O-N 3.33Å; V685-I689 VanDerWaalsContact O-N 3.12Å; V685-A767 HydrophobicContact CB-CB 3.8Å; V685-A767 HydrophobicContact CG1-CB 3.77Å
686	L	67.5	Low	69.5	Low	17 Å²	17	70.6 Å²	70.6	9%	0.089	37%	0.368	C	S	.	.	H	α-helix	trans	-63.6	-44	176.7	-70.5	171.3	0	0	0	112.8	S682 V684 R688 I689 E690 A767 T771	S682-L686 VanDerWaalsContact O-CB 3.31Å; S682-L686 WeakPolarHBondContact O-CB 3.35Å; S682-L686 WeakPolarHBondContact O-CG 3.44Å; S682-L686 PolarHBondContact O-N 3.2Å; V684-L686 VanDerWaalsContact C-N 3.33Å; V684-L686 PolarHBondContact O-N 2.83Å; L686-R688 PolarHBondContact O-N 3.03Å; L686-R688 VanDerWaalsContact O-N 3.13Å; L686-I689 HydrophobicContact CD2-CD1 4.21Å; L686-I689 WeakPolarHBondContact O-CB 3.41Å; L686-I689 PolarHBondContact O-N 2.9Å; L686-E690 WeakPolarHBondContact O-CB 3.47Å; L686-E690 WeakPolarHBondContact O-CG 3.44Å; L686-E690 PolarHBondContact O-N 3.4Å; L686-A767 HydrophobicContact CD2-CB 4.38Å; L686-A767 HydrophobicContact CG-CB 4.25Å; L686-T771 HydrophobicContact CD1-CG2 4Å; L686-T771 HydrophobicContact CD2-CG2 3.66Å; L686-T771 WeakPolarHBondContact CD2-OG1 3.13Å; L686-T771 HydrophobicContact CG-CG2 4.44Å
687	S	69.3	Low	68.9	Low	64 Å²	64	72.7 Å²	72.7	45%	0.448	38%	0.379	S	S	.	.	H	α-helix	trans	-58.1	-29.4	176.5	71.8	0	0	0	0	113.4	E683 V684 S691	E683-S687 WeakPolarHBondContact O-CB 3.5Å; E683-S687 PolarHBondContact O-N 3.06Å; V684-S687 PolarHBondContact O-N 2.73Å; V684-S687 PolarHBondContact O-OG 3.22Å; S687-S691 WeakPolarHBondContact O-CB 3.5Å; S687-S691 PolarHBondContact O-N 3.31Å; S687-S691 VanDerWaalsContact O-N 3.12Å
688	R	74.3	Confident	68.6	Low	65 Å²	65	70.2 Å²	70.2	25%	0.245	37%	0.372	C	S	.	.	H	α-helix	trans	-77	-41.3	174.5	-65.4	-180	-168.3	135.6	4	112	F674 E680 V684 V685 L686 S691	F674-R688 HydrophobicContact CD1-CB 4.29Å; F674-R688 VanDerWaalsContact O-CD 3.28Å; F674-R688 WeakPolarHBondContact O-CD 3.49Å; F674-R688 PolarHBondContact O-NH1 3.07Å; E680-R688 IonicContact OE1-CZ 3.38Å; E680-R688 IonicContact OE1-NH1 3.73Å; E680-R688 PolarHBondContact OE1-NH1 3.44Å; E680-R688 VanDerWaalsContact OE1-NH1 3.12Å; E680-R688 IonicContact OE1-NH2 2.82Å; E680-R688 PolarHBondContact OE1-NH2 3.23Å; E680-R688 IonicContact OE2-CZ 3.49Å; E680-R688 IonicContact OE2-NH1 3.83Å; E680-R688 PolarHBondContact OE2-NH1 3.29Å; E680-R688 IonicContact OE2-NH2 2.69Å; V684-R688 PolarHBondContact O-N 2.98Å; V685-R688 PolarHBondContact O-N 3.39Å; L686-R688 PolarHBondContact O-N 3.03Å; L686-R688 VanDerWaalsContact O-N 3.13Å; R688-S691 WeakPolarHBondContact O-CB 3.21Å; R688-S691 PolarHBondContact O-N 3.32Å; R688-S691 PolarHBondContact O-OG 3.36Å
689	I	72.9	Confident	68.3	Low	18 Å²	18	77.4 Å²	77.4	9%	0.092	40%	0.4	C	S	.	.	H	α-helix	trans	-58	-50.4	173	-69.2	164.6	0	0	0	110.2	W658 F674 V685 L686 S691 G692 L768	W658-I689 HydrophobicContact CH2-CG2 3.84Å; W658-I689 HydrophobicContact CZ2-CB 4.48Å; W658-I689 HydrophobicContact CZ2-CG1 4.22Å; W658-I689 HydrophobicContact CZ2-CG2 3.67Å; F674-I689 HydrophobicContact CB-CD1 4.4Å; F674-I689 HydrophobicContact CB-CG1 3.89Å; F674-I689 HydrophobicContact CD1-CG1 3.79Å; F674-I689 HydrophobicContact CD2-CD1 4.19Å; F674-I689 HydrophobicContact CD2-CG1 3.56Å; F674-I689 HydrophobicContact CE1-CG1 4.19Å; F674-I689 HydrophobicContact CE2-CG1 4Å; F674-I689 HydrophobicContact CG-CD1 4.31Å; F674-I689 HydrophobicContact CG-CG1 3.46Å; F674-I689 VanDerWaalsContact CG-CG1 3.46Å; F674-I689 HydrophobicContact CZ-CG1 4.29Å; V685-I689 HydrophobicContact CG1-CD1 4.02Å; V685-I689 WeakPolarHBondContact O-CG1 3.34Å; V685-I689 PolarHBondContact O-N 3.33Å; V685-I689 VanDerWaalsContact O-N 3.12Å; L686-I689 HydrophobicContact CD2-CD1 4.21Å; L686-I689 WeakPolarHBondContact O-CB 3.41Å; L686-I689 PolarHBondContact O-N 2.9Å; I689-S691 VanDerWaalsContact C-N 3.28Å; I689-S691 PolarHBondContact O-N 3.29Å; I689-G692 PolarHBondContact O-N 3.14Å; I689-G692 VanDerWaalsContact O-N 3.12Å; I689-L768 HydrophobicContact CD1-CD2 3.93Å; I689-L768 HydrophobicContact CD1-CG 4.18Å
690	E	66.4	Low	68	Low	129 Å²	129	72.6 Å²	72.6	60%	0.603	38%	0.375	S	S	*	.	H	α-helix	trans	-61.8	-32.6	177.6	-71.3	177.7	172	0	0	112.9	L686 G692 I774	L686-E690 WeakPolarHBondContact O-CB 3.47Å; L686-E690 WeakPolarHBondContact O-CG 3.44Å; L686-E690 PolarHBondContact O-N 3.4Å; E690-G692 PolarHBondContact O-N 3.1Å; E690-I774 WeakPolarHBondContact OE1-CD1 3.28Å
691	S	71	Confident	67.9	Low	59 Å²	59	71.1 Å²	71.1	41%	0.413	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-20.5	176.8	82.7	0	0	0	0	113.8	S687 R688 I689 R693	S687-S691 WeakPolarHBondContact O-CB 3.5Å; S687-S691 PolarHBondContact O-N 3.31Å; S687-S691 VanDerWaalsContact O-N 3.12Å; R688-S691 WeakPolarHBondContact O-CB 3.21Å; R688-S691 PolarHBondContact O-N 3.32Å; R688-S691 PolarHBondContact O-OG 3.36Å; I689-S691 VanDerWaalsContact C-N 3.28Å; I689-S691 PolarHBondContact O-N 3.29Å; S691-R693 PolarHBondContact O-N 3.14Å; S691-R693 PolarHBondContact OG-N 2.89Å
692	G	63.3	Low	67.8	Low	35 Å²	35	75.3 Å²	75.3	36%	0.361	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.7	4.6	-175.2	0	0	0	0	0	115.3	I689 E690 L694	I689-G692 PolarHBondContact O-N 3.14Å; I689-G692 VanDerWaalsContact O-N 3.12Å; E690-G692 PolarHBondContact O-N 3.1Å; G692-L694 PolarHBondContact O-N 3.2Å
693	R	65.8	Low	68	Low	210 Å²	210	78.6 Å²	78.6	79%	0.792	40%	0.395	S	S	*	.			trans	-85.1	90.4	-177	-64.2	-176	-175.5	-173.3	1.4	110.9	S691	S691-R693 PolarHBondContact O-N 3.14Å; S691-R693 PolarHBondContact OG-N 2.89Å
694	L	71.1	Confident	68.7	Low	28 Å²	28	73 Å²	73	15%	0.147	37%	0.369	C	S	.	.			trans	-71.8	122.9	158.4	-60.7	167	0	0	0	108.1	P673 F674 G692 L696 L716	P673-L694 HydrophobicContact CB-CD2 3.93Å; F674-L694 HydrophobicContact CE1-CD2 3.9Å; F674-L694 HydrophobicContact CZ-CD2 3.72Å; G692-L694 PolarHBondContact O-N 3.2Å; L694-L696 VanDerWaalsContact C-N 3.33Å; L694-L696 HydrophobicContact CB-CD1 4.42Å; L694-L696 HydrophobicContact CB-CD2 3.76Å; L694-L696 HydrophobicContact CB-CG 3.83Å; L694-L696 PolarHBondContact O-N 3.41Å; L694-L716 HydrophobicContact CD1-CB 3.79Å; L694-L716 HydrophobicContact CD1-CD1 4.29Å; L694-L716 HydrophobicContact CD2-CB 4.26Å; L694-L716 HydrophobicContact CD2-CD1 3.8Å
695	D	67.5	Low	69.4	Low	80 Å²	80	72 Å²	72	43%	0.428	37%	0.365	S	S	.	.			trans	-73.1	92.5	167.9	179	7.6	0	0	0	108.6	I697 N698 W701	D695-I697 PolarHBondContact OD1-N 2.92Å; D695-I697 VanDerWaalsContact OD1-N 3.14Å; D695-N698 PolarHBondContact OD1-N 3.4Å; D695-N698 WeakPolarHBondContact OD2-CB 3.36Å; D695-N698 PolarHBondContact OD2-ND2 3.26Å; D695-W701 VanDerWaalsContact O-CE2 3.3Å; D695-W701 WeakPolarHBondContact O-CZ2 3.22Å; D695-W701 PolarHBondContact O-NE1 3.03Å
696	L	65	Low	70.3	Confident	39 Å²	39	77.5 Å²	77.5	20%	0.204	39%	0.394	C	S	.	.			trans	-97	5.9	176.4	-54.2	-177.9	0	0	0	113	L694 W701 T713	L694-L696 VanDerWaalsContact C-N 3.33Å; L694-L696 HydrophobicContact CB-CD1 4.42Å; L694-L696 HydrophobicContact CB-CD2 3.76Å; L694-L696 HydrophobicContact CB-CG 3.83Å; L694-L696 PolarHBondContact O-N 3.41Å; L696-W701 VanDerWaalsContact C-CD1 3.41Å; L696-W701 VanDerWaalsContact CA-CE2 3.5Å; L696-W701 HydrophobicContact CD2-CH2 3.26Å; L696-W701 HydrophobicContact CD2-CZ2 3.41Å; L696-W701 VanDerWaalsContact CD2-CZ2 3.41Å; L696-W701 HydrophobicContact CD2-CZ3 3.87Å; L696-W701 VanDerWaalsContact O-CG 3.27Å; L696-T713 WeakPolarHBondContact CD1-OG1 3.43Å
697	I	59.9	Low	71.6	Confident	157 Å²	157	80.1 Å²	80.1	81%	0.805	41%	0.408	S	S	*	.			trans	-118.4	-14.1	-165.5	-55	178	0	0	0	112	D695	D695-I697 PolarHBondContact OD1-N 2.92Å; D695-I697 VanDerWaalsContact OD1-N 3.14Å
698	N	61.8	Low	72.7	Confident	81 Å²	81	77.1 Å²	77.1	43%	0.433	39%	0.387	S	S	.	.	S	Bend	trans	-51.1	151.8	174.4	-141.7	-47.8	0	0	0	113.4	D695 N700 W701	D695-N698 PolarHBondContact OD1-N 3.4Å; D695-N698 WeakPolarHBondContact OD2-CB 3.36Å; D695-N698 PolarHBondContact OD2-ND2 3.26Å; N698-N700 PolarHBondContact O-N 3.11Å; N698-W701 WeakPolarHBondContact O-CB 3.32Å; N698-W701 PolarHBondContact O-N 3.48Å
699	K	57.4	Low	73.5	Confident	180 Å²	180	75.8 Å²	75.8	78%	0.783	38%	0.383	S	S	*	.	G	3₁₀ helix	trans	-54.5	-27.4	-171.3	-69.5	-176.5	177	-179.2	0	114.4	W701	K699-W701 VanDerWaalsContact C-N 3.27Å; K699-W701 PolarHBondContact O-N 2.97Å
700	N	62.4	Low	74.5	Confident	58 Å²	58	77.9 Å²	77.9	31%	0.31	39%	0.394	S	S	.	.	G	3₁₀ helix	trans	-69.4	-21.1	-179.6	-57.9	0	0	0	0	113	N698 N702	N698-N700 PolarHBondContact O-N 3.11Å; N700-N702 PolarHBondContact O-N 3.47Å
701	W	69.8	Low	75.9	Confident	5 Å²	5	71.8 Å²	71.8	2%	0.019	37%	0.366	C	S	.	.	G	3₁₀ helix	trans	-71.7	-12.6	179.5	-74.4	93.5	0	0	0	114.8	Y665 F669 D695 L696 N698 K699 K703 I704 K709 L712	Y665-W701 HydrophobicContact CD2-CH2 4.39Å; Y665-W701 HydrophobicContact CD2-CZ2 4.41Å; Y665-W701 HydrophobicContact CE2-CH2 4.12Å; Y665-W701 AromaticContact CE2-CZ2 3.7Å; Y665-W701 HydrophobicContact CE2-CZ2 3.7Å; F669-W701 HydrophobicContact CD1-CZ2 4.34Å; F669-W701 AromaticContact CD2-CH2 3.96Å; F669-W701 HydrophobicContact CD2-CH2 3.96Å; F669-W701 AromaticContact CD2-CZ2 3.98Å; F669-W701 HydrophobicContact CD2-CZ2 3.98Å; F669-W701 AromaticContact CE1-CD2 3.62Å; F669-W701 HydrophobicContact CE1-CD2 3.62Å; F669-W701 AromaticContact CE1-CE2 3.44Å; F669-W701 VanDerWaalsContact CE1-CE2 3.44Å; F669-W701 HydrophobicContact CE1-CE3 4.08Å; F669-W701 AromaticContact CE1-CG 4Å; F669-W701 HydrophobicContact CE1-CG 4Å; F669-W701 HydrophobicContact CE1-CH2 4.25Å; F669-W701 AromaticContact CE1-CZ2 3.79Å; F669-W701 HydrophobicContact CE1-CZ2 3.79Å; F669-W701 HydrophobicContact CE1-CZ3 4.37Å; F669-W701 AromaticContact CE1-NE1 3.76Å; F669-W701 HydrophobicContact CE2-CD2 4.16Å; F669-W701 AromaticContact CE2-CE2 3.9Å; F669-W701 AromaticContact CE2-CE3 3.89Å; F669-W701 HydrophobicContact CE2-CE3 3.89Å; F669-W701 AromaticContact CE2-CH2 3.12Å; F669-W701 HydrophobicContact CE2-CH2 3.12Å; F669-W701 AromaticContact CE2-CZ2 3.41Å; F669-W701 HydrophobicContact CE2-CZ2 3.41Å; F669-W701 VanDerWaalsContact CE2-CZ2 3.41Å; F669-W701 AromaticContact CE2-CZ3 3.38Å; F669-W701 HydrophobicContact CE2-CZ3 3.38Å; F669-W701 HydrophobicContact CG-CZ2 4.44Å; F669-W701 AromaticContact CZ-CD2 3.25Å; F669-W701 HydrophobicContact CZ-CD2 3.25Å; F669-W701 AromaticContact CZ-CE2 3.26Å; F669-W701 AromaticContact CZ-CE3 3.23Å; F669-W701 HydrophobicContact CZ-CE3 3.23Å; F669-W701 HydrophobicContact CZ-CG 4.06Å; F669-W701 AromaticContact CZ-CH2 3.31Å; F669-W701 HydrophobicContact CZ-CH2 3.31Å; F669-W701 AromaticContact CZ-CZ2 3.31Å; F669-W701 HydrophobicContact CZ-CZ2 3.31Å; F669-W701 AromaticContact CZ-CZ3 3.26Å; F669-W701 HydrophobicContact CZ-CZ3 3.26Å; D695-W701 VanDerWaalsContact O-CE2 3.3Å; D695-W701 WeakPolarHBondContact O-CZ2 3.22Å; D695-W701 PolarHBondContact O-NE1 3.03Å; L696-W701 VanDerWaalsContact C-CD1 3.41Å; L696-W701 VanDerWaalsContact CA-CE2 3.5Å; L696-W701 HydrophobicContact CD2-CH2 3.26Å; L696-W701 HydrophobicContact CD2-CZ2 3.41Å; L696-W701 VanDerWaalsContact CD2-CZ2 3.41Å; L696-W701 HydrophobicContact CD2-CZ3 3.87Å; L696-W701 VanDerWaalsContact O-CG 3.27Å; N698-W701 WeakPolarHBondContact O-CB 3.32Å; N698-W701 PolarHBondContact O-N 3.48Å; K699-W701 VanDerWaalsContact C-N 3.27Å; K699-W701 PolarHBondContact O-N 2.97Å; W701-K703 PolarHBondContact O-N 3.3Å; W701-I704 HydrophobicContact CE3-CB 4.34Å; W701-I704 HydrophobicContact CE3-CG2 4.25Å; W701-I704 HydrophobicContact CZ3-CG2 4.26Å; W701-I704 PolarHBondContact O-N 3.22Å; W701-K709 HydrophobicContact CE3-CD 3.96Å; W701-K709 HydrophobicContact CE3-CG 3.47Å; W701-K709 VanDerWaalsContact CE3-CG 3.47Å; W701-K709 HydrophobicContact CZ3-CB 4.46Å; W701-K709 HydrophobicContact CZ3-CD 4.5Å; W701-K709 HydrophobicContact CZ3-CG 3.53Å; W701-K709 WeakPolarHBondContact O-CE 3.41Å; W701-K709 PolarHBondContact O-NZ 2.82Å; W701-L712 HydrophobicContact CH2-CD1 3.73Å; W701-L712 HydrophobicContact CZ3-CD1 4.09Å
702	N	71.3	Confident	77	Confident	140 Å²	140	69 Å²	69	75%	0.749	35%	0.346	S	S	*	.	G	3₁₀ helix	trans	-66.7	-18.8	179.8	-69.2	-13	0	0	0	113.3	N700	N700-N702 PolarHBondContact O-N 3.47Å
703	K	76.7	Confident	78.3	Confident	106 Å²	106	70.4 Å²	70.4	46%	0.461	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-92.2	-9.8	176	-67.1	-161.9	179.9	-166.8	0	114.5	W701 D748	W701-K703 PolarHBondContact O-N 3.3Å; K703-D748 HydrophobicContact CD-CB 4.47Å; K703-D748 WeakPolarHBondContact CE-OD2 3.36Å; K703-D748 IonicContact NZ-OD1 3.67Å; K703-D748 IonicContact NZ-OD2 2.69Å; K703-D748 PolarHBondContact NZ-OD2 2.82Å
704	I	83.5	Confident	79.6	Confident	5 Å²	5	64 Å²	64	3%	0.026	33%	0.326	C	S	.	.	S	Bend	trans	-102.7	131.5	-174.9	-60.8	-63.8	0	0	0	108.8	L668 F669 W701 A708 K709 L746	L668-I704 HydrophobicContact CB-CD1 4.42Å; L668-I704 HydrophobicContact CD2-CD1 4.26Å; F669-I704 HydrophobicContact CE1-CG1 4.25Å; F669-I704 HydrophobicContact CE2-CG1 4.33Å; F669-I704 HydrophobicContact CZ-CB 4.28Å; F669-I704 HydrophobicContact CZ-CG1 3.64Å; F669-I704 HydrophobicContact CZ-CG2 4.39Å; W701-I704 HydrophobicContact CE3-CB 4.34Å; W701-I704 HydrophobicContact CE3-CG2 4.25Å; W701-I704 HydrophobicContact CZ3-CG2 4.26Å; W701-I704 PolarHBondContact O-N 3.22Å; I704-A708 HydrophobicContact CG2-CB 3.64Å; I704-K709 WeakPolarHBondContact O-CE 3.3Å; I704-K709 PolarHBondContact O-NZ 2.79Å; I704-L746 HydrophobicContact CD1-CD1 3.57Å; I704-L746 HydrophobicContact CD1-CD2 3.48Å; I704-L746 VanDerWaalsContact CD1-CD2 3.48Å; I704-L746 HydrophobicContact CD1-CG 4.15Å
705	S	89.9	Confident	80.6	Confident	36 Å²	36	62.7 Å²	62.7	25%	0.252	32%	0.319	S	S	.	.			trans	-62.3	151.9	-178	82.8	0	0	0	0	112.8	E569 L707 A708 K709	E569-S705 WeakPolarHBondContact OE1-CB 3.42Å; E569-S705 PolarHBondContact OE1-N 2.92Å; E569-S705 PolarHBondContact OE1-OG 3.18Å; E569-S705 PolarHBondContact OE2-N 2.93Å; S705-L707 PolarHBondContact O-N 3.25Å; S705-L707 PolarHBondContact OG-N 3.14Å; S705-A708 WeakPolarHBondContact O-CB 3.37Å; S705-A708 PolarHBondContact O-N 3.07Å; S705-A708 VanDerWaalsContact O-N 3.1Å; S705-A708 PolarHBondContact OG-N 3.4Å; S705-K709 PolarHBondContact O-N 2.99Å
706	D	90.1	Very high	81.6	Confident	116 Å²	116	59 Å²	59	62%	0.62	30%	0.299	S	S	*	.	H	α-helix	trans	-66.5	-21.7	176	-59.7	-38	0	0	0	112.3	K709 D710	D706-K709 PolarHBondContact O-N 2.91Å; D706-K709 WeakPolarHBondContact OD1-CD 3.4Å; D706-K709 IonicContact OD1-NZ 3.6Å; D706-K709 PolarHBondContact OD1-NZ 2.91Å; D706-D710 VanDerWaalsContact O-CB 3.27Å; D706-D710 WeakPolarHBondContact O-CB 3.4Å; D706-D710 PolarHBondContact O-N 2.97Å
707	L	94.2	Very high	82.5	Confident	72 Å²	72	59.2 Å²	59.2	38%	0.377	30%	0.3	S	S	.	.	H	α-helix	trans	-69.2	-33	172.5	-63.2	-179.6	0	0	0	112.4	S705 L711 H732 P733 W734	S705-L707 PolarHBondContact O-N 3.25Å; S705-L707 PolarHBondContact OG-N 3.14Å; L707-L711 WeakPolarHBondContact O-CB 3.49Å; L707-L711 PolarHBondContact O-N 3.41Å; L707-H732 PolarHBondContact O-CE1 2.69Å; L707-P733 HydrophobicContact CD1-CB 4.21Å; L707-P733 HydrophobicContact CD2-CB 4.19Å; L707-W734 HydrophobicContact CB-CB 4.02Å; L707-W734 HydrophobicContact CB-CG 4.34Å
708	A	92.9	Very high	83.2	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-70.5	-42.9	172.3	0	0	0	0	0	111.4	M664 L668 I704 S705 L711 L712 W734	M664-A708 HydrophobicContact CE-CB 4.21Å; L668-A708 HydrophobicContact CD1-CB 4.23Å; I704-A708 HydrophobicContact CG2-CB 3.64Å; S705-A708 WeakPolarHBondContact O-CB 3.37Å; S705-A708 PolarHBondContact O-N 3.07Å; S705-A708 VanDerWaalsContact O-N 3.1Å; S705-A708 PolarHBondContact OG-N 3.4Å; A708-L711 PolarHBondContact O-N 3.45Å; A708-L712 WeakPolarHBondContact O-CG 3.48Å; A708-L712 PolarHBondContact O-N 2.76Å; A708-W734 HydrophobicContact CB-CD2 4.41Å; A708-W734 HydrophobicContact CB-CG 4.5Å; A708-W734 HydrophobicContact CB-CZ2 4.2Å
709	K	91.3	Very high	83.7	Confident	38 Å²	38	54.8 Å²	54.8	17%	0.165	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-46.8	176.7	-67.3	169.6	-155.7	157.5	0	111.8	W701 I704 S705 D706 L712 T713	W701-K709 HydrophobicContact CE3-CD 3.96Å; W701-K709 HydrophobicContact CE3-CG 3.47Å; W701-K709 VanDerWaalsContact CE3-CG 3.47Å; W701-K709 HydrophobicContact CZ3-CB 4.46Å; W701-K709 HydrophobicContact CZ3-CD 4.5Å; W701-K709 HydrophobicContact CZ3-CG 3.53Å; W701-K709 WeakPolarHBondContact O-CE 3.41Å; W701-K709 PolarHBondContact O-NZ 2.82Å; I704-K709 WeakPolarHBondContact O-CE 3.3Å; I704-K709 PolarHBondContact O-NZ 2.79Å; S705-K709 PolarHBondContact O-N 2.99Å; D706-K709 PolarHBondContact O-N 2.91Å; D706-K709 WeakPolarHBondContact OD1-CD 3.4Å; D706-K709 IonicContact OD1-NZ 3.6Å; D706-K709 PolarHBondContact OD1-NZ 2.91Å; K709-L712 PolarHBondContact O-N 2.82Å; K709-T713 WeakPolarHBondContact O-CB 3.28Å; K709-T713 PolarHBondContact O-N 2.88Å; K709-T713 PolarHBondContact O-OG1 2.87Å
710	D	93.9	Very high	84.6	Confident	62 Å²	62	47.7 Å²	47.7	33%	0.332	25%	0.251	S	S	.	.	H	α-helix	trans	-61.6	-44.6	177.7	178	39.3	0	0	0	111.5	D706 T713 K714 H732	D706-D710 VanDerWaalsContact O-CB 3.27Å; D706-D710 WeakPolarHBondContact O-CB 3.4Å; D706-D710 PolarHBondContact O-N 2.97Å; D710-T713 PolarHBondContact O-N 2.93Å; D710-K714 WeakPolarHBondContact O-CG 3.47Å; D710-K714 PolarHBondContact O-N 3.04Å; D710-K714 VanDerWaalsContact O-N 3.1Å; D710-K714 WeakPolarHBondContact OD1-CE 3.32Å; D710-K714 IonicContact OD1-NZ 3.59Å; D710-K714 PolarHBondContact OD1-NZ 3.14Å; D710-K714 IonicContact OD2-NZ 2.69Å; D710-K714 PolarHBondContact OD2-NZ 3.33Å; D710-H732 IonicContact OD2-CE1 3.6Å; D710-H732 PolarHBondContact OD2-CE1 3.36Å; D710-H732 IonicContact OD2-NE2 2.67Å; D710-H732 PolarHBondContact OD2-NE2 3.21Å; D710-H732 VanDerWaalsContact OD2-NE2 3.08Å
711	L	95.7	Very high	85.2	Confident	1 Å²	1	49.3 Å²	49.3	1%	0.005	27%	0.267	C	S	.	.	H	α-helix	trans	-63.6	-47	175.7	-176.1	54.9	0	0	0	112.6	M664 L707 A708 T713 K714 M715 I729 H732 W734 I735	M664-L711 HydrophobicContact CE-CB 4.3Å; M664-L711 HydrophobicContact CE-CD2 4.07Å; M664-L711 HydrophobicContact CE-CG 4.32Å; M664-L711 HydrophobicContact SD-CD2 4.02Å; M664-L711 HydrophobicContact SD-CG 4.21Å; L707-L711 WeakPolarHBondContact O-CB 3.49Å; L707-L711 PolarHBondContact O-N 3.41Å; A708-L711 PolarHBondContact O-N 3.45Å; L711-T713 VanDerWaalsContact C-N 3.27Å; L711-T713 PolarHBondContact O-N 3.5Å; L711-K714 WeakPolarHBondContact O-CB 3.22Å; L711-K714 PolarHBondContact O-N 3.3Å; L711-K714 VanDerWaalsContact O-N 3.11Å; L711-M715 HydrophobicContact CD1-CG 4.06Å; L711-M715 HydrophobicContact CD1-SD 3.84Å; L711-M715 HydrophobicContact CD2-SD 4.25Å; L711-M715 HydrophobicContact CG-CG 4.36Å; L711-M715 HydrophobicContact CG-SD 3.66Å; L711-M715 WeakPolarHBondContact O-CG 3.25Å; L711-M715 PolarHBondContact O-N 3.11Å; L711-I729 HydrophobicContact CD1-CG1 4.17Å; L711-I729 HydrophobicContact CD1-CG2 4.31Å; L711-I729 HydrophobicContact CD2-CG2 4.34Å; L711-H732 HydrophobicContact CD1-CB 4.05Å; L711-W734 HydrophobicContact CD2-CB 4.36Å; L711-W734 HydrophobicContact CD2-CD2 4.3Å; L711-W734 HydrophobicContact CD2-CE3 3.52Å; L711-W734 HydrophobicContact CD2-CZ3 4.19Å; L711-I735 HydrophobicContact CD2-CD1 4.27Å; L711-I735 HydrophobicContact CD2-CG1 3.88Å
712	L	92.5	Very high	85.8	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-57.9	-41.2	176.3	-78	173.2	0	0	0	111.7	M664 Y665 L668 W701 A708 K709 K714 M715 L716	M664-L712 HydrophobicContact CB-CD2 3.96Å; M664-L712 HydrophobicContact CE-CD1 4.38Å; M664-L712 HydrophobicContact CE-CD2 4.05Å; M664-L712 HydrophobicContact CE-CG 3.73Å; M664-L712 HydrophobicContact CG-CD2 3.8Å; M664-L712 HydrophobicContact CG-CG 4.47Å; M664-L712 HydrophobicContact SD-CD2 3.67Å; M664-L712 HydrophobicContact SD-CG 4Å; Y665-L712 HydrophobicContact CD2-CD1 4.28Å; L668-L712 HydrophobicContact CD1-CD1 4.21Å; W701-L712 HydrophobicContact CH2-CD1 3.73Å; W701-L712 HydrophobicContact CZ3-CD1 4.09Å; A708-L712 WeakPolarHBondContact O-CG 3.48Å; A708-L712 PolarHBondContact O-N 2.76Å; K709-L712 PolarHBondContact O-N 2.82Å; L712-K714 VanDerWaalsContact C-N 3.31Å; L712-K714 PolarHBondContact O-N 3.31Å; L712-M715 PolarHBondContact O-N 3.31Å; L712-L716 HydrophobicContact CD2-CD1 4.46Å; L712-L716 WeakPolarHBondContact O-CB 3.47Å; L712-L716 PolarHBondContact O-N 3.13Å
713	T	90.8	Very high	86.6	Confident	64 Å²	64	50.4 Å²	50.4	39%	0.393	27%	0.265	S	S	.	.	H	α-helix	trans	-63.4	-37	177.7	-54.3	0	0	0	0	111.8	L696 K709 D710 L711 N717	L696-T713 WeakPolarHBondContact CD1-OG1 3.43Å; K709-T713 WeakPolarHBondContact O-CB 3.28Å; K709-T713 PolarHBondContact O-N 2.88Å; K709-T713 PolarHBondContact O-OG1 2.87Å; D710-T713 PolarHBondContact O-N 2.93Å; L711-T713 VanDerWaalsContact C-N 3.27Å; L711-T713 PolarHBondContact O-N 3.5Å; T713-N717 PolarHBondContact O-N 3.03Å
714	K	93.1	Very high	87.4	Confident	76 Å²	76	46.3 Å²	46.3	33%	0.33	25%	0.249	S	C	.	.	H	α-helix	trans	-72.3	-33.9	175.7	-70.5	162.7	178.7	163.3	0	113.1	D710 L711 L712 R723 C724 H732	D710-K714 WeakPolarHBondContact O-CG 3.47Å; D710-K714 PolarHBondContact O-N 3.04Å; D710-K714 VanDerWaalsContact O-N 3.1Å; D710-K714 WeakPolarHBondContact OD1-CE 3.32Å; D710-K714 IonicContact OD1-NZ 3.59Å; D710-K714 PolarHBondContact OD1-NZ 3.14Å; D710-K714 IonicContact OD2-NZ 2.69Å; D710-K714 PolarHBondContact OD2-NZ 3.33Å; L711-K714 WeakPolarHBondContact O-CB 3.22Å; L711-K714 PolarHBondContact O-N 3.3Å; L711-K714 VanDerWaalsContact O-N 3.11Å; L712-K714 VanDerWaalsContact C-N 3.31Å; L712-K714 PolarHBondContact O-N 3.31Å; K714-R723 WeakPolarHBondContact O-CA 3.49Å; K714-R723 WeakPolarHBondContact O-CG 3.32Å; K714-C724 VanDerWaalsContact C-SG 3.6Å; K714-C724 HydrophobicContact CB-CB 4.11Å; K714-C724 PolarHBondContact O-N 3.07Å; K714-C724 VanDerWaalsContact O-N 3.07Å; K714-H732 PolarHBondContact NZ-NE2 3.32Å
715	M	92.6	Very high	87.9	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-81.5	-36.4	179.8	-68.3	172.5	71.5	0	0	113.1	V657 L660 G661 M664 L711 L712 R723 C724 I729	V657-M715 HydrophobicContact CG1-CB 4.09Å; V657-M715 HydrophobicContact CG1-CG 3.99Å; L660-M715 VanDerWaalsContact C-CE 3.49Å; L660-M715 HydrophobicContact CB-CE 3.78Å; L660-M715 HydrophobicContact CD2-CE 4.02Å; L660-M715 HydrophobicContact CG-CE 3.53Å; G661-M715 VanDerWaalsContact N-CE 3.28Å; M664-M715 HydrophobicContact SD-SD 3.9Å; L711-M715 HydrophobicContact CD1-CG 4.06Å; L711-M715 HydrophobicContact CD1-SD 3.84Å; L711-M715 HydrophobicContact CD2-SD 4.25Å; L711-M715 HydrophobicContact CG-CG 4.36Å; L711-M715 HydrophobicContact CG-SD 3.66Å; L711-M715 WeakPolarHBondContact O-CG 3.25Å; L711-M715 PolarHBondContact O-N 3.11Å; L712-M715 PolarHBondContact O-N 3.31Å; M715-R723 WeakPolarHBondContact O-CD 3.28Å; M715-R723 VanDerWaalsContact O-CG 3.24Å; M715-R723 WeakPolarHBondContact O-CG 3.36Å; M715-C724 VanDerWaalsContact CG-SG 3.5Å; M715-I729 HydrophobicContact CE-CD1 3.83Å; M715-I729 HydrophobicContact CG-CD1 4.03Å; M715-I729 HydrophobicContact CG-CG1 4.09Å; M715-I729 HydrophobicContact SD-CD1 4.08Å; M715-I729 HydrophobicContact SD-CG1 4.18Å
716	L	88.5	Confident	88.1	Confident	4 Å²	4	48.5 Å²	48.5	2%	0.021	26%	0.261	C	S	.	.	S	Bend	trans	-101	28	-179.4	-64.7	177.1	0	0	0	112.3	W658 V662 P673 L694 L712 P718	W658-L716 HydrophobicContact CD2-CD2 3.8Å; W658-L716 HydrophobicContact CE3-CB 4.43Å; W658-L716 HydrophobicContact CE3-CD2 4Å; W658-L716 HydrophobicContact CG-CD2 4.19Å; W658-L716 HydrophobicContact CZ2-CD2 4.41Å; W658-L716 VanDerWaalsContact CZ3-C 3.42Å; W658-L716 HydrophobicContact CZ3-CB 4.29Å; W658-L716 HydrophobicContact CZ3-CD2 4.41Å; W658-L716 WeakPolarHBondContact CZ3-O 3.45Å; V662-L716 HydrophobicContact CG2-CD2 3.86Å; P673-L716 HydrophobicContact CB-CD1 4.41Å; P673-L716 HydrophobicContact CG-CD1 4.26Å; L694-L716 HydrophobicContact CD1-CB 3.79Å; L694-L716 HydrophobicContact CD1-CD1 4.29Å; L694-L716 HydrophobicContact CD2-CB 4.26Å; L694-L716 HydrophobicContact CD2-CD1 3.8Å; L712-L716 HydrophobicContact CD2-CD1 4.46Å; L712-L716 WeakPolarHBondContact O-CB 3.47Å; L712-L716 PolarHBondContact O-N 3.13Å; L716-P718 WeakPolarHBondContact O-CD 3.38Å
717	N	84	Confident	88.3	Confident	42 Å²	42	46.3 Å²	46.3	23%	0.225	26%	0.255	C	S	.	.			trans	-66.1	123.3	170.7	-167.9	-40.3	0	0	0	109.4	W658 T713 E719 K722 R723	W658-N717 WeakPolarHBondContact CZ3-O 3.48Å; T713-N717 PolarHBondContact O-N 3.03Å; N717-E719 PolarHBondContact O-N 3.29Å; N717-E719 PolarHBondContact OD1-N 3.1Å; N717-K722 WeakPolarHBondContact ND2-CB 3.23Å; N717-R723 HydrophobicContact CB-CB 4.43Å; N717-R723 VanDerWaalsContact O-CZ 3.31Å; N717-R723 PolarHBondContact O-NE 3.4Å; N717-R723 PolarHBondContact O-NH2 3.38Å
718	P	74.8	Confident	88.4	Confident	62 Å²	62	44.5 Å²	44.5	40%	0.403	25%	0.251	S	S	.	.	S	Bend	trans	-58.1	-31.8	-179.7	-26.6	35.6	0	0	0	113.4	L716 P720 R723	L716-P718 WeakPolarHBondContact O-CD 3.38Å; P718-P720 VanDerWaalsContact O-CD 3.29Å; P718-P720 WeakPolarHBondContact O-CD 3.24Å; P718-R723 PolarHBondContact O-NH2 2.83Å
719	E	72.8	Confident	88.6	Confident	84 Å²	84	44.5 Å²	44.5	39%	0.393	25%	0.251	S	S	.	.	S	Bend	trans	-87.1	111.3	179.6	-161.9	-176.1	153.7	0	0	110.6	N717 S721 K722 R723	N717-E719 PolarHBondContact O-N 3.29Å; N717-E719 PolarHBondContact OD1-N 3.1Å; E719-S721 WeakPolarHBondContact CG-OG 3.2Å; E719-S721 PolarHBondContact O-N 3.09Å; E719-S721 VanDerWaalsContact O-N 3.17Å; E719-S721 PolarHBondContact OE1-OG 2.96Å; E719-K722 HydrophobicContact CB-CB 4.41Å; E719-K722 HydrophobicContact CB-CD 4.35Å; E719-K722 HydrophobicContact CB-CG 4.47Å; E719-K722 PolarHBondContact O-N 3.44Å; E719-K722 IonicContact OE1-NZ 3.64Å; E719-K722 VanDerWaalsContact OE2-CD 3.27Å; E719-K722 WeakPolarHBondContact OE2-CD 3.45Å; E719-K722 WeakPolarHBondContact OE2-CE 3.43Å; E719-K722 IonicContact OE2-NZ 2.68Å; E719-K722 PolarHBondContact OE2-NZ 3.39Å; E719-R723 PolarHBondContact O-N 3.34Å
720	P	76.3	Confident	88.8	Confident	30 Å²	30	44.5 Å²	44.5	20%	0.195	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-25.4	-171.3	-24.9	37.4	0	0	0	114.3	Y651 A654 P718 K722 R723	Y651-P720 HydrophobicContact CD2-CB 3.78Å; Y651-P720 HydrophobicContact CD2-CG 3.72Å; Y651-P720 HydrophobicContact CE2-CB 4.22Å; Y651-P720 HydrophobicContact CE2-CG 3.64Å; Y651-P720 HydrophobicContact CG-CB 4.45Å; A654-P720 HydrophobicContact CB-CB 3.91Å; P718-P720 VanDerWaalsContact O-CD 3.29Å; P718-P720 WeakPolarHBondContact O-CD 3.24Å; P720-K722 VanDerWaalsContact C-N 3.31Å; P720-K722 PolarHBondContact O-N 3.36Å; P720-R723 WeakPolarHBondContact O-CB 3.42Å; P720-R723 PolarHBondContact O-N 2.93Å
721	S	74.1	Confident	89	Confident	93 Å²	93	45.5 Å²	45.5	65%	0.65	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-24.2	174.9	57.4	0	0	0	0	113.7	E719	E719-S721 WeakPolarHBondContact CG-OG 3.2Å; E719-S721 PolarHBondContact O-N 3.09Å; E719-S721 VanDerWaalsContact O-N 3.17Å; E719-S721 PolarHBondContact OE1-OG 2.96Å
722	K	82.6	Confident	89.1	Confident	136 Å²	136	46 Å²	46	59%	0.591	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99	-5.7	177.7	-66.7	-179.8	-178.3	152.9	0	113	N717 E719 P720	N717-K722 WeakPolarHBondContact ND2-CB 3.23Å; E719-K722 HydrophobicContact CB-CB 4.41Å; E719-K722 HydrophobicContact CB-CD 4.35Å; E719-K722 HydrophobicContact CB-CG 4.47Å; E719-K722 PolarHBondContact O-N 3.44Å; E719-K722 IonicContact OE1-NZ 3.64Å; E719-K722 VanDerWaalsContact OE2-CD 3.27Å; E719-K722 WeakPolarHBondContact OE2-CD 3.45Å; E719-K722 WeakPolarHBondContact OE2-CE 3.43Å; E719-K722 IonicContact OE2-NZ 2.68Å; E719-K722 PolarHBondContact OE2-NZ 3.39Å; P720-K722 VanDerWaalsContact C-N 3.31Å; P720-K722 PolarHBondContact O-N 3.36Å
723	R	88.9	Confident	89.3	Confident	31 Å²	31	48.9 Å²	48.9	12%	0.117	29%	0.285	C	S	.	.	S	Bend	trans	-71.4	141.2	177	-159.6	173.4	-62.9	149.4	4.5	109.6	A654 V657 K714 M715 N717 P718 E719 P720	A654-R723 HydrophobicContact CB-CB 4.32Å; A654-R723 WeakPolarHBondContact O-CD 3.27Å; A654-R723 PolarHBondContact O-NH1 3.43Å; V657-R723 HydrophobicContact CG1-CG 4.01Å; K714-R723 WeakPolarHBondContact O-CA 3.49Å; K714-R723 WeakPolarHBondContact O-CG 3.32Å; M715-R723 WeakPolarHBondContact O-CD 3.28Å; M715-R723 VanDerWaalsContact O-CG 3.24Å; M715-R723 WeakPolarHBondContact O-CG 3.36Å; N717-R723 HydrophobicContact CB-CB 4.43Å; N717-R723 VanDerWaalsContact O-CZ 3.31Å; N717-R723 PolarHBondContact O-NE 3.4Å; N717-R723 PolarHBondContact O-NH2 3.38Å; P718-R723 PolarHBondContact O-NH2 2.83Å; E719-R723 PolarHBondContact O-N 3.34Å; P720-R723 WeakPolarHBondContact O-CB 3.42Å; P720-R723 PolarHBondContact O-N 2.93Å
724	C	92.4	Very high	89.5	Confident	21 Å²	21	45.8 Å²	45.8	14%	0.142	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-64.7	153.7	175.6	59.1	0	0	0	0	111.5	V657 K714 M715 A728	V657-C724 WeakPolarHBondContact CG1-O 3.4Å; K714-C724 VanDerWaalsContact C-SG 3.6Å; K714-C724 HydrophobicContact CB-CB 4.11Å; K714-C724 PolarHBondContact O-N 3.07Å; K714-C724 VanDerWaalsContact O-N 3.07Å; M715-C724 VanDerWaalsContact CG-SG 3.5Å; C724-A728 HydrophobicContact CB-CB 4.04Å
725	T	93.8	Very high	89.7	Confident	85 Å²	85	42.2 Å²	42.2	52%	0.521	25%	0.251	S	S	.	.	P	Polyproline II helix	trans	-83.6	164.1	171.3	63.9	0	0	0	0	111.1	S727 A728 I729	T725-S727 PolarHBondContact O-N 3.14Å; T725-A728 WeakPolarHBondContact O-CB 3.44Å; T725-A728 PolarHBondContact O-N 3.04Å; T725-A728 WeakPolarHBondContact OG1-CB 3.37Å; T725-A728 PolarHBondContact OG1-N 3.06Å; T725-I729 PolarHBondContact O-N 2.83Å
726	A	94.1	Very high	89.8	Confident	1 Å²	1	49 Å²	49	1%	0.008	28%	0.28	C	S	.	.	H	α-helix	trans	-55.7	-38.5	173.3	0	0	0	0	0	112.6	L583 I729 L730	L583-A726 HydrophobicContact CB-CB 3.81Å; A726-I729 WeakPolarHBondContact O-CB 3.33Å; A726-I729 PolarHBondContact O-N 3.31Å; A726-L730 PolarHBondContact O-N 2.61Å
727	S	94.6	Very high	90.1	Very high	70 Å²	70	51.9 Å²	51.9	49%	0.49	30%	0.295	S	S	.	.	H	α-helix	trans	-65.8	-36.4	174	-177.6	0	0	0	0	113.1	T725 I729 L730 S731	T725-S727 PolarHBondContact O-N 3.14Å; S727-I729 VanDerWaalsContact C-N 3.33Å; S727-I729 PolarHBondContact O-N 3.3Å; S727-L730 PolarHBondContact O-N 3.19Å; S727-S731 PolarHBondContact O-N 3.12Å; S727-S731 PolarHBondContact O-OG 3.09Å
728	A	95.8	Very high	90.5	Very high	35 Å²	35	52.2 Å²	52.2	29%	0.289	29%	0.294	S	S	.	.	H	α-helix	trans	-70.2	-26.9	175.2	0	0	0	0	0	113.1	C724 T725 S731 H732	C724-A728 HydrophobicContact CB-CB 4.04Å; T725-A728 WeakPolarHBondContact O-CB 3.44Å; T725-A728 PolarHBondContact O-N 3.04Å; T725-A728 WeakPolarHBondContact OG1-CB 3.37Å; T725-A728 PolarHBondContact OG1-N 3.06Å; A728-S731 PolarHBondContact O-OG 2.97Å; A728-H732 PolarHBondContact O-N 3.28Å
729	I	97.2	Very high	91.3	Very high	0 Å²	0	54 Å²	54	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-65.3	-44.9	170.9	-64.9	161.1	0	0	0	110.1	T576 A580 V657 L660 L711 M715 T725 A726 S727 S731 H732 I735	T576-I729 HydrophobicContact CG2-CG2 4.46Å; A580-I729 HydrophobicContact CB-CB 4.13Å; A580-I729 HydrophobicContact CB-CG2 3.68Å; V657-I729 HydrophobicContact CG1-CD1 3.81Å; V657-I729 HydrophobicContact CG2-CD1 4.2Å; L660-I729 HydrophobicContact CD2-CD1 4.41Å; L711-I729 HydrophobicContact CD1-CG1 4.17Å; L711-I729 HydrophobicContact CD1-CG2 4.31Å; L711-I729 HydrophobicContact CD2-CG2 4.34Å; M715-I729 HydrophobicContact CE-CD1 3.83Å; M715-I729 HydrophobicContact CG-CD1 4.03Å; M715-I729 HydrophobicContact CG-CG1 4.09Å; M715-I729 HydrophobicContact SD-CD1 4.08Å; M715-I729 HydrophobicContact SD-CG1 4.18Å; T725-I729 PolarHBondContact O-N 2.83Å; A726-I729 WeakPolarHBondContact O-CB 3.33Å; A726-I729 PolarHBondContact O-N 3.31Å; S727-I729 VanDerWaalsContact C-N 3.33Å; S727-I729 PolarHBondContact O-N 3.3Å; I729-S731 VanDerWaalsContact C-N 3.27Å; I729-S731 PolarHBondContact O-N 3.21Å; I729-H732 WeakPolarHBondContact O-CB 3.16Å; I729-H732 PolarHBondContact O-N 3Å; I729-I735 HydrophobicContact CG2-CD1 4.41Å; I729-I735 HydrophobicContact CG2-CG1 3.96Å; I729-I735 WeakPolarHBondContact O-CB 3.27Å; I729-I735 WeakPolarHBondContact O-CG1 3.36Å
730	L	97	Very high	92.2	Very high	38 Å²	38	57.4 Å²	57.4	20%	0.199	32%	0.316	C	S	.	.	H	α-helix	trans	-63.4	-30.1	-179.5	-63.6	171.4	0	0	0	113.7	Y577 A580 N581 A726 S727	Y577-L730 HydrophobicContact CD2-CD2 3.65Å; Y577-L730 HydrophobicContact CE2-CD2 3.85Å; A580-L730 HydrophobicContact CB-CD2 3.92Å; A580-L730 HydrophobicContact CB-CG 4.32Å; N581-L730 HydrophobicContact CB-CD1 4.46Å; N581-L730 HydrophobicContact CB-CD2 4.02Å; A726-L730 PolarHBondContact O-N 2.61Å; S727-L730 PolarHBondContact O-N 3.19Å
731	S	96.4	Very high	92.9	Very high	83 Å²	83	56.8 Å²	56.8	58%	0.58	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-4.9	175.5	57.1	0	0	0	0	113.9	S727 A728 I729	S727-S731 PolarHBondContact O-N 3.12Å; S727-S731 PolarHBondContact O-OG 3.09Å; A728-S731 PolarHBondContact O-OG 2.97Å; I729-S731 VanDerWaalsContact C-N 3.27Å; I729-S731 PolarHBondContact O-N 3.21Å
732	H	97.8	Very high	93.5	Very high	12 Å²	12	54.6 Å²	54.6	6%	0.056	30%	0.296	C	S	.	.	S	Bend	trans	-65.1	138.3	179.6	-157.1	-100.9	0	0	0	111.7	L707 D710 L711 K714 A728 I729 W734 I735 K736	L707-H732 PolarHBondContact O-CE1 2.69Å; D710-H732 IonicContact OD2-CE1 3.6Å; D710-H732 PolarHBondContact OD2-CE1 3.36Å; D710-H732 IonicContact OD2-NE2 2.67Å; D710-H732 PolarHBondContact OD2-NE2 3.21Å; D710-H732 VanDerWaalsContact OD2-NE2 3.08Å; L711-H732 HydrophobicContact CD1-CB 4.05Å; K714-H732 PolarHBondContact NZ-NE2 3.32Å; A728-H732 PolarHBondContact O-N 3.28Å; I729-H732 WeakPolarHBondContact O-CB 3.16Å; I729-H732 PolarHBondContact O-N 3Å; H732-W734 PolarHBondContact O-N 3.36Å; H732-W734 VanDerWaalsContact O-N 3.11Å; H732-I735 PolarHBondContact O-N 3.2Å; H732-K736 WeakPolarHBondContact O-CB 3.37Å; H732-K736 PolarHBondContact O-N 3.31Å
733	P	96.9	Very high	93.6	Very high	59 Å²	59	52.2 Å²	52.2	38%	0.383	29%	0.294	S	S	.	.	H	α-helix	trans	-53.8	-35.9	-178.7	-29	35.8	0	0	0	114.3	L707 I735 N737	L707-P733 HydrophobicContact CD1-CB 4.21Å; L707-P733 HydrophobicContact CD2-CB 4.19Å; P733-I735 PolarHBondContact O-N 2.98Å; P733-N737 VanDerWaalsContact O-CB 3.27Å; P733-N737 WeakPolarHBondContact O-CB 3.43Å; P733-N737 PolarHBondContact O-N 2.99Å
734	W	96.2	Very high	93.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-57.9	-47.7	176	-165.8	69	0	0	0	112.8	E569 A572 S573 T576 M664 L668 L707 A708 L711 H732 R738 L741	E569-W734 HydrophobicContact CG-CZ2 3.75Å; E569-W734 PolarHBondContact OE1-NE1 2.77Å; A572-W734 HydrophobicContact CB-CH2 4.27Å; S573-W734 VanDerWaalsContact CA-CZ3 3.46Å; S573-W734 PolarHBondContact OG-O 2.9Å; T576-W734 HydrophobicContact CG2-CZ3 4.28Å; M664-W734 HydrophobicContact CE-CD2 4.23Å; M664-W734 HydrophobicContact CE-CE3 3.8Å; M664-W734 HydrophobicContact CE-CH2 3.59Å; M664-W734 HydrophobicContact CE-CZ2 4.04Å; M664-W734 HydrophobicContact CE-CZ3 3.44Å; M664-W734 VanDerWaalsContact CE-CZ3 3.44Å; M664-W734 HydrophobicContact CG-CH2 4.39Å; M664-W734 HydrophobicContact CG-CZ3 4.41Å; M664-W734 HydrophobicContact SD-CH2 4.37Å; M664-W734 HydrophobicContact SD-CZ3 3.93Å; L668-W734 HydrophobicContact CD1-CH2 4.46Å; L668-W734 HydrophobicContact CD1-CZ2 4.36Å; L668-W734 HydrophobicContact CD2-CZ2 4.32Å; L707-W734 HydrophobicContact CB-CB 4.02Å; L707-W734 HydrophobicContact CB-CG 4.34Å; A708-W734 HydrophobicContact CB-CD2 4.41Å; A708-W734 HydrophobicContact CB-CG 4.5Å; A708-W734 HydrophobicContact CB-CZ2 4.2Å; L711-W734 HydrophobicContact CD2-CB 4.36Å; L711-W734 HydrophobicContact CD2-CD2 4.3Å; L711-W734 HydrophobicContact CD2-CE3 3.52Å; L711-W734 HydrophobicContact CD2-CZ3 4.19Å; H732-W734 PolarHBondContact O-N 3.36Å; H732-W734 VanDerWaalsContact O-N 3.11Å; W734-R738 PolarHBondContact O-N 3.37Å; W734-L741 HydrophobicContact CD2-CD1 4.26Å; W734-L741 HydrophobicContact CG-CD1 4.32Å; W734-L741 HydrophobicContact CZ2-CD1 4.32Å
735	I	96.8	Very high	92.6	Very high	0 Å²	0	61 Å²	61	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-77.8	-39.6	-179.3	-63.5	-67.9	0	0	0	111.6	T576 Y577 L711 I729 H732 P733 R738	T576-I735 HydrophobicContact CG2-CD1 3.82Å; Y577-I735 HydrophobicContact CD2-CG2 3.63Å; Y577-I735 HydrophobicContact CG-CG2 4.31Å; L711-I735 HydrophobicContact CD2-CD1 4.27Å; L711-I735 HydrophobicContact CD2-CG1 3.88Å; I729-I735 HydrophobicContact CG2-CD1 4.41Å; I729-I735 HydrophobicContact CG2-CG1 3.96Å; I729-I735 WeakPolarHBondContact O-CB 3.27Å; I729-I735 WeakPolarHBondContact O-CG1 3.36Å; H732-I735 PolarHBondContact O-N 3.2Å; P733-I735 PolarHBondContact O-N 2.98Å; I735-R738 WeakPolarHBondContact O-CB 3.32Å; I735-R738 WeakPolarHBondContact O-CD 3.18Å; I735-R738 WeakPolarHBondContact O-CG 3.4Å; I735-R738 PolarHBondContact O-NH1 3.39Å
736	K	95	Very high	91.7	Very high	144 Å²	144	57.5 Å²	57.5	63%	0.626	32%	0.315	S	S	*	.	H	α-helix	trans	-67.7	-38.1	-178.1	-174.2	176.7	178.6	-179.2	0	112.1	H732	H732-K736 WeakPolarHBondContact O-CB 3.37Å; H732-K736 PolarHBondContact O-N 3.31Å
737	N	94.4	Very high	90	Very high	63 Å²	63	60.8 Å²	60.8	34%	0.337	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	23.3	-178.3	-55.2	-15.8	0	0	0	112.1	P733 D739 Q740	P733-N737 VanDerWaalsContact O-CB 3.27Å; P733-N737 WeakPolarHBondContact O-CB 3.43Å; P733-N737 PolarHBondContact O-N 2.99Å; N737-D739 PolarHBondContact O-N 3.12Å; N737-D739 VanDerWaalsContact O-N 3.08Å; N737-Q740 WeakPolarHBondContact O-CA 3.37Å; N737-Q740 VanDerWaalsContact O-CB 3.3Å; N737-Q740 WeakPolarHBondContact O-CB 3.15Å; N737-Q740 PolarHBondContact O-N 3.42Å
738	R	93.3	Very high	88.3	Confident	49 Å²	49	62.4 Å²	62.4	19%	0.185	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-54.8	-30.9	-173.2	68	-166.8	-179.9	-76.5	-12.2	114.7	S573 N574 W734 I735 Q740 L741	S573-R738 WeakPolarHBondContact OG-CB 3.48Å; N574-R738 WeakPolarHBondContact OD1-CD 3.39Å; N574-R738 PolarHBondContact OD1-NE 2.82Å; N574-R738 VanDerWaalsContact OD1-NE 3.13Å; W734-R738 PolarHBondContact O-N 3.37Å; I735-R738 WeakPolarHBondContact O-CB 3.32Å; I735-R738 WeakPolarHBondContact O-CD 3.18Å; I735-R738 WeakPolarHBondContact O-CG 3.4Å; I735-R738 PolarHBondContact O-NH1 3.39Å; R738-Q740 PolarHBondContact O-N 2.88Å; R738-Q740 VanDerWaalsContact O-N 3.16Å; R738-L741 HydrophobicContact CB-CD1 4.18Å; R738-L741 WeakPolarHBondContact O-CB 3.29Å; R738-L741 PolarHBondContact O-N 3.5Å; R738-L741 VanDerWaalsContact O-N 3.08Å
739	D	91.6	Very high	86.6	Confident	99 Å²	99	61.4 Å²	61.4	53%	0.529	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-68.1	-9.5	176	-54.2	-51.2	0	0	0	113.8	R570 N737	R570-D739 PolarHBondContact NH1-O 3.41Å; R570-D739 PolarHBondContact NH2-O 3.32Å; N737-D739 PolarHBondContact O-N 3.12Å; N737-D739 VanDerWaalsContact O-N 3.08Å
740	Q	92	Very high	84.5	Confident	156 Å²	156	68.1 Å²	68.1	73%	0.729	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-102.4	-10.3	175.1	-55.1	174.9	3.2	0	0	112.6	N737 R738	N737-Q740 WeakPolarHBondContact O-CA 3.37Å; N737-Q740 VanDerWaalsContact O-CB 3.3Å; N737-Q740 WeakPolarHBondContact O-CB 3.15Å; N737-Q740 PolarHBondContact O-N 3.42Å; R738-Q740 PolarHBondContact O-N 2.88Å; R738-Q740 VanDerWaalsContact O-N 3.16Å
741	L	91	Very high	82.5	Confident	17 Å²	17	69.4 Å²	69.4	9%	0.089	37%	0.37	C	S	.	.	S	Bend	trans	-67.9	154.6	177	-64.6	173.7	0	0	0	111.2	R570 S573 W734 R738	R570-L741 HydrophobicContact CB-CB 4.13Å; R570-L741 VanDerWaalsContact CZ-O 3.29Å; R570-L741 PolarHBondContact NE-O 2.76Å; R570-L741 PolarHBondContact NH2-O 3.01Å; S573-L741 VanDerWaalsContact CB-CD1 3.42Å; W734-L741 HydrophobicContact CD2-CD1 4.26Å; W734-L741 HydrophobicContact CG-CD1 4.32Å; W734-L741 HydrophobicContact CZ2-CD1 4.32Å; R738-L741 HydrophobicContact CB-CD1 4.18Å; R738-L741 WeakPolarHBondContact O-CB 3.29Å; R738-L741 PolarHBondContact O-N 3.5Å; R738-L741 VanDerWaalsContact O-N 3.08Å
742	S	86	Confident	80.8	Confident	48 Å²	48	68.7 Å²	68.7	34%	0.336	36%	0.36	S	S	.	.			trans	-59.4	129.4	179.8	-170.4	0	0	0	0	111.1	R570 E744	R570-S742 WeakPolarHBondContact CB-O 3.27Å; R570-S742 PolarHBondContact N-O 2.86Å; S742-E744 WeakPolarHBondContact OG-CB 3.41Å; S742-E744 WeakPolarHBondContact OG-CG 3.24Å; S742-E744 PolarHBondContact OG-N 3.25Å; S742-E744 VanDerWaalsContact OG-N 3.13Å
743	P	85.5	Confident	79.3	Confident	85 Å²	85	72.3 Å²	72.3	55%	0.552	38%	0.379	S	S	*	.			trans	-81.9	1.3	167.6	36.7	-35.1	0	0	0	112.1	S568	S568-P743 VanDerWaalsContact CB-C 3.45Å; S568-P743 WeakPolarHBondContact CB-O 3.48Å
744	E	83.1	Confident	77.9	Confident	151 Å²	151	71.8 Å²	71.8	71%	0.706	38%	0.375	S	S	*	.	S	Bend	trans	-68.5	132.8	176.3	-63.9	178.5	172.1	0	0	110.7	S568 S742	S568-E744 VanDerWaalsContact CA-O 3.31Å; S568-E744 WeakPolarHBondContact CA-O 3.31Å; S568-E744 VanDerWaalsContact CB-O 3.24Å; S568-E744 WeakPolarHBondContact CB-O 3.44Å; S742-E744 WeakPolarHBondContact OG-CB 3.41Å; S742-E744 WeakPolarHBondContact OG-CG 3.24Å; S742-E744 PolarHBondContact OG-N 3.25Å; S742-E744 VanDerWaalsContact OG-N 3.13Å
745	L	76.2	Confident	76.8	Confident	85 Å²	85	74.8 Å²	74.8	45%	0.445	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-66	140.1	178.1	-64.6	178.5	0	0	0	111.1	F566 T747	F566-L745 HydrophobicContact CB-CB 4.01Å; F566-L745 HydrophobicContact CB-CD2 4.38Å; F566-L745 WeakPolarHBondContact O-CD2 3.35Å; L745-T747 HydrophobicContact CB-CG2 3.82Å; L745-T747 PolarHBondContact O-N 2.78Å
746	L	74.1	Confident	75.6	Confident	13 Å²	13	79.2 Å²	79.2	7%	0.068	42%	0.416	C	S	.	.			trans	-77.6	54.6	180	-62.6	171.2	0	0	0	112.5	F566 L567 L668 I704 D748 V749	F566-L746 VanDerWaalsContact CD1-O 3.25Å; F566-L746 WeakPolarHBondContact CD1-O 3.39Å; L567-L746 VanDerWaalsContact O-CB 3.32Å; L567-L746 WeakPolarHBondContact O-CB 3.28Å; L567-L746 VanDerWaalsContact O-CG 3.22Å; L567-L746 WeakPolarHBondContact O-CG 3.32Å; L567-L746 PolarHBondContact O-N 3.23Å; L668-L746 HydrophobicContact CD2-CD1 3.9Å; I704-L746 HydrophobicContact CD1-CD1 3.57Å; I704-L746 HydrophobicContact CD1-CD2 3.48Å; I704-L746 VanDerWaalsContact CD1-CD2 3.48Å; I704-L746 HydrophobicContact CD1-CG 4.15Å; L746-D748 VanDerWaalsContact C-N 3.34Å; L746-D748 PolarHBondContact O-N 2.94Å; L746-V749 HydrophobicContact CB-CG2 4.07Å; L746-V749 WeakPolarHBondContact O-CB 3.48Å; L746-V749 WeakPolarHBondContact O-CG2 3.41Å; L746-V749 PolarHBondContact O-N 2.76Å
747	T	59.9	Low	74.5	Confident	69 Å²	69	72.4 Å²	72.4	42%	0.423	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-21.7	-166.1	46.6	0	0	0	0	117	F566 L745 V749	F566-T747 HydrophobicContact CD2-CG2 3.96Å; F566-T747 WeakPolarHBondContact CE1-O 3.41Å; F566-T747 HydrophobicContact CE2-CG2 4.2Å; F566-T747 HydrophobicContact CG-CG2 4.32Å; F566-T747 VanDerWaalsContact CZ-O 3.3Å; F566-T747 WeakPolarHBondContact CZ-O 3.49Å; L745-T747 HydrophobicContact CB-CG2 3.82Å; L745-T747 PolarHBondContact O-N 2.78Å; T747-V749 VanDerWaalsContact C-N 3.34Å
748	D	58.7	Low	73.4	Confident	104 Å²	104	71.3 Å²	71.3	56%	0.556	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	1.5	-178.4	-69.5	1.6	0	0	0	112.7	K703 L746 L750	K703-D748 HydrophobicContact CD-CB 4.47Å; K703-D748 WeakPolarHBondContact CE-OD2 3.36Å; K703-D748 IonicContact NZ-OD1 3.67Å; K703-D748 IonicContact NZ-OD2 2.69Å; K703-D748 PolarHBondContact NZ-OD2 2.82Å; L746-D748 VanDerWaalsContact C-N 3.34Å; L746-D748 PolarHBondContact O-N 2.94Å; D748-L750 PolarHBondContact O-N 3.19Å
749	V	58.9	Low	72.6	Confident	15 Å²	15	71.7 Å²	71.7	9%	0.091	39%	0.385	C	S	.	.	S	Bend	trans	-76.5	110	175.1	177.5	0	0	0	0	108.3	F669 L746 T747 L751	F669-V749 WeakPolarHBondContact O-CG1 3.21Å; L746-V749 HydrophobicContact CB-CG2 4.07Å; L746-V749 WeakPolarHBondContact O-CB 3.48Å; L746-V749 WeakPolarHBondContact O-CG2 3.41Å; L746-V749 PolarHBondContact O-N 2.76Å; T747-V749 VanDerWaalsContact C-N 3.34Å; V749-L751 PolarHBondContact O-N 2.86Å
750	L	54.2	Low	71.8	Confident	141 Å²	141	67.4 Å²	67.4	74%	0.738	36%	0.363	S	S	*	.			trans	-59	97.1	175	-92.3	140.5	0	0	0	110.6	D748 N752	D748-L750 PolarHBondContact O-N 3.19Å; L750-N752 PolarHBondContact O-N 2.97Å
751	L	55.2	Low	70.9	Confident	64 Å²	64	60.2 Å²	60.2	34%	0.335	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-65.6	116.4	171.3	-57.6	168.5	0	0	0	108.4	F562 K565 F566 V749	F562-L751 HydrophobicContact CD1-CD2 4.14Å; F562-L751 HydrophobicContact CE1-CD2 3.98Å; K565-L751 WeakPolarHBondContact O-CD1 3.47Å; F566-L751 HydrophobicContact CD1-CD1 4.24Å; F566-L751 HydrophobicContact CD1-CG 4.48Å; F566-L751 HydrophobicContact CE1-CD1 3.77Å; F566-L751 HydrophobicContact CE1-CD2 4.44Å; F566-L751 HydrophobicContact CE1-CG 3.94Å; F566-L751 HydrophobicContact CZ-CD1 4.01Å; V749-L751 PolarHBondContact O-N 2.86Å
752	N	59.3	Low	70.1	Confident	69 Å²	69	63.6 Å²	63.6	37%	0.369	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-65.4	157.4	158.6	-67.6	-48.9	0	0	0	108.8	L750 V754 T757	L750-N752 PolarHBondContact O-N 2.97Å; N752-V754 PolarHBondContact O-N 3.24Å; N752-T757 WeakPolarHBondContact CB-OG1 3.27Å
753	D	67.4	Low	69.5	Low	88 Å²	88	61.6 Å²	61.6	47%	0.471	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-49.3	133	173.6	164.3	30.4	0	0	0	110.5	S755 Q756 T757	D753-S755 PolarHBondContact O-N 2.92Å; D753-S755 VanDerWaalsContact O-N 3.11Å; D753-S755 PolarHBondContact OD1-N 2.98Å; D753-Q756 HydrophobicContact CB-CB 4.25Å; D753-Q756 HydrophobicContact CB-CG 3.99Å; D753-Q756 CarbonylContact O-C 3.59Å; D753-Q756 WeakPolarHBondContact O-CA 3.43Å; D753-Q756 WeakPolarHBondContact O-CB 3.42Å; D753-Q756 PolarHBondContact O-N 2.79Å; D753-T757 PolarHBondContact O-N 3.49Å
754	V	67.8	Low	68.9	Low	48 Å²	48	57.6 Å²	57.6	29%	0.291	31%	0.305	S	S	.	.	H	α-helix	trans	-48.2	-43.7	-176.5	-172.2	0	0	0	0	111.3	F562 N752 T757 K758	F562-V754 HydrophobicContact CB-CB 4.21Å; F562-V754 HydrophobicContact CB-CG1 3.72Å; F562-V754 HydrophobicContact CB-CG2 3.56Å; F562-V754 HydrophobicContact CD1-CG2 4.44Å; F562-V754 HydrophobicContact CD2-CG1 3.71Å; F562-V754 HydrophobicContact CG-CB 4.35Å; F562-V754 HydrophobicContact CG-CG1 3.88Å; F562-V754 HydrophobicContact CG-CG2 4.01Å; N752-V754 PolarHBondContact O-N 3.24Å; V754-T757 PolarHBondContact O-N 2.93Å; V754-K758 WeakPolarHBondContact O-CB 3.32Å; V754-K758 WeakPolarHBondContact O-CG 3.46Å; V754-K758 PolarHBondContact O-N 3.21Å
755	S	71.4	Confident	68.3	Low	63 Å²	63	50.9 Å²	50.9	44%	0.441	27%	0.274	S	S	.	.	H	α-helix	trans	-65.3	-42.6	177.6	-173.1	0	0	0	0	111.8	D753 K758 N759	D753-S755 PolarHBondContact O-N 2.92Å; D753-S755 VanDerWaalsContact O-N 3.11Å; D753-S755 PolarHBondContact OD1-N 2.98Å; S755-K758 PolarHBondContact O-N 2.94Å; S755-N759 WeakPolarHBondContact O-CB 3.23Å; S755-N759 VanDerWaalsContact O-CG 3.29Å; S755-N759 PolarHBondContact O-N 2.96Å; S755-N759 PolarHBondContact O-ND2 3.49Å; S755-N759 PolarHBondContact OG-ND2 2.92Å
756	Q	72.5	Confident	68	Low	92 Å²	92	52.9 Å²	52.9	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-66.5	-41.5	177.2	-64.6	179.3	37.6	0	0	112.2	P678 D753 N759 S760	P678-Q756 HydrophobicContact CG-CB 3.94Å; P678-Q756 HydrophobicContact CG-CG 4.15Å; D753-Q756 HydrophobicContact CB-CB 4.25Å; D753-Q756 HydrophobicContact CB-CG 3.99Å; D753-Q756 CarbonylContact O-C 3.59Å; D753-Q756 WeakPolarHBondContact O-CA 3.43Å; D753-Q756 WeakPolarHBondContact O-CB 3.42Å; D753-Q756 PolarHBondContact O-N 2.79Å; Q756-N759 PolarHBondContact O-N 2.92Å; Q756-S760 WeakPolarHBondContact O-CB 3.37Å; Q756-S760 PolarHBondContact O-N 2.84Å; Q756-S760 PolarHBondContact O-OG 2.85Å
757	T	71.6	Confident	67.6	Low	2 Å²	2	52.3 Å²	52.3	1%	0.012	27%	0.272	C	S	.	.	H	α-helix	trans	-65.7	-46.5	175.6	-61.8	0	0	0	0	110.7	F562 T666 G670 N752 D753 V754 N759 S760 V761	F562-T757 HydrophobicContact CE2-CG2 4.2Å; F562-T757 HydrophobicContact CZ-CG2 3.7Å; T666-T757 HydrophobicContact CG2-CG2 3.78Å; G670-T757 WeakPolarHBondContact O-CG2 3.42Å; G670-T757 PolarHBondContact O-OG1 2.94Å; N752-T757 WeakPolarHBondContact CB-OG1 3.27Å; D753-T757 PolarHBondContact O-N 3.49Å; V754-T757 PolarHBondContact O-N 2.93Å; T757-N759 PolarHBondContact O-N 3.05Å; T757-S760 PolarHBondContact O-N 2.88Å; T757-S760 VanDerWaalsContact O-N 3.15Å; T757-V761 HydrophobicContact CG2-CG2 4.21Å; T757-V761 VanDerWaalsContact O-CG2 3.32Å; T757-V761 WeakPolarHBondContact O-CG2 3.27Å; T757-V761 PolarHBondContact O-N 2.91Å
758	K	72.6	Confident	67.6	Low	40 Å²	40	51 Å²	51	17%	0.174	26%	0.262	C	S	.	.	H	α-helix	trans	-53.8	-51.4	173.4	-82.1	-165.9	175.3	-158	0	112.5	E556 D559 V754 S755 S760 V761 E762	E556-K758 VanDerWaalsContact CD-NZ 3.32Å; E556-K758 IonicContact OE1-NZ 2.73Å; E556-K758 WeakPolarHBondContact OE2-CE 3.42Å; E556-K758 IonicContact OE2-NZ 3.37Å; E556-K758 PolarHBondContact OE2-NZ 3.32Å; D559-K758 WeakPolarHBondContact OD1-CE 3.46Å; D559-K758 IonicContact OD1-NZ 2.71Å; D559-K758 PolarHBondContact OD1-NZ 3.19Å; D559-K758 IonicContact OD2-NZ 3.81Å; D559-K758 PolarHBondContact OD2-NZ 3.49Å; V754-K758 WeakPolarHBondContact O-CB 3.32Å; V754-K758 WeakPolarHBondContact O-CG 3.46Å; V754-K758 PolarHBondContact O-N 3.21Å; S755-K758 PolarHBondContact O-N 2.94Å; K758-S760 VanDerWaalsContact C-N 3.27Å; K758-S760 PolarHBondContact O-N 3.03Å; K758-V761 WeakPolarHBondContact O-CB 3.32Å; K758-V761 PolarHBondContact O-N 3.39Å; K758-V761 VanDerWaalsContact O-N 3.14Å; K758-E762 PolarHBondContact O-N 2.67Å
759	N	75.1	Confident	67.4	Low	57 Å²	57	50 Å²	50	31%	0.305	26%	0.258	S	S	.	.	H	α-helix	trans	-61.6	-35	179.3	-75.2	-54.2	0	0	0	112.5	P678 S755 Q756 T757 A763	P678-N759 HydrophobicContact CB-CB 3.77Å; P678-N759 HydrophobicContact CG-CB 4.36Å; S755-N759 WeakPolarHBondContact O-CB 3.23Å; S755-N759 VanDerWaalsContact O-CG 3.29Å; S755-N759 PolarHBondContact O-N 2.96Å; S755-N759 PolarHBondContact O-ND2 3.49Å; S755-N759 PolarHBondContact OG-ND2 2.92Å; Q756-N759 PolarHBondContact O-N 2.92Å; T757-N759 PolarHBondContact O-N 3.05Å; N759-A763 WeakPolarHBondContact O-CB 3.45Å; N759-A763 PolarHBondContact O-N 2.78Å
760	S	74.8	Confident	66.9	Low	8 Å²	8	51.6 Å²	51.6	6%	0.056	27%	0.269	C	S	.	.	H	α-helix	trans	-72.9	-36.1	175.7	-54	0	0	0	0	112	A675 Q756 T757 K758 A763 T764	A675-S760 WeakPolarHBondContact CB-O 3.43Å; Q756-S760 WeakPolarHBondContact O-CB 3.37Å; Q756-S760 PolarHBondContact O-N 2.84Å; Q756-S760 PolarHBondContact O-OG 2.85Å; T757-S760 PolarHBondContact O-N 2.88Å; T757-S760 VanDerWaalsContact O-N 3.15Å; K758-S760 VanDerWaalsContact C-N 3.27Å; K758-S760 PolarHBondContact O-N 3.03Å; S760-A763 PolarHBondContact O-N 2.88Å; S760-T764 PolarHBondContact O-N 2.78Å; S760-T764 PolarHBondContact O-OG1 2.99Å
761	V	73.9	Confident	66.4	Low	6 Å²	6	46.8 Å²	46.8	4%	0.036	25%	0.246	C	C	.	.	H	α-helix	trans	-63.4	-49.3	173.3	168.5	0	0	0	0	109.2	L558 P598 T666 T672 T757 K758 A763 T764 F765	L558-V761 HydrophobicContact CD1-CG2 4.45Å; P598-V761 HydrophobicContact CG-CG1 3.88Å; T666-V761 HydrophobicContact CG2-CG2 3.95Å; T672-V761 HydrophobicContact CG2-CB 4.28Å; T672-V761 HydrophobicContact CG2-CG2 3.56Å; T757-V761 HydrophobicContact CG2-CG2 4.21Å; T757-V761 VanDerWaalsContact O-CG2 3.32Å; T757-V761 WeakPolarHBondContact O-CG2 3.27Å; T757-V761 PolarHBondContact O-N 2.91Å; K758-V761 WeakPolarHBondContact O-CB 3.32Å; K758-V761 PolarHBondContact O-N 3.39Å; K758-V761 VanDerWaalsContact O-N 3.14Å; V761-A763 VanDerWaalsContact C-N 3.3Å; V761-A763 PolarHBondContact O-N 2.86Å; V761-T764 WeakPolarHBondContact O-CA 3.35Å; V761-T764 WeakPolarHBondContact O-CB 3.48Å; V761-T764 PolarHBondContact O-N 3.14Å; V761-T764 VanDerWaalsContact O-N 3.1Å; V761-F765 HydrophobicContact CG1-CD2 3.66Å; V761-F765 HydrophobicContact CG1-CE2 3.56Å; V761-F765 VanDerWaalsContact O-CD2 3.25Å; V761-F765 WeakPolarHBondContact O-CD2 3.23Å; V761-F765 PolarHBondContact O-N 3.08Å
762	E	74.6	Confident	65.5	Low	88 Å²	88	48.3 Å²	48.3	41%	0.411	26%	0.262	S	S	.	.	H	α-helix	trans	-59.3	-39.4	172.9	-73.6	-172.9	-172.8	0	0	112.5	K758 T764 F765 R766	K758-E762 PolarHBondContact O-N 2.67Å; E762-T764 VanDerWaalsContact C-N 3.27Å; E762-T764 PolarHBondContact O-N 3.08Å; E762-F765 PolarHBondContact O-N 3.16Å; E762-R766 WeakPolarHBondContact O-CB 3.23Å; E762-R766 VanDerWaalsContact O-CG 3.24Å; E762-R766 WeakPolarHBondContact O-CG 3.15Å; E762-R766 PolarHBondContact O-N 3.04Å; E762-R766 IonicContact OE2-CZ 3.84Å; E762-R766 IonicContact OE2-NE 3.73Å; E762-R766 IonicContact OE2-NH2 2.71Å; E762-R766 PolarHBondContact OE2-NH2 3.13Å
763	A	73.2	Confident	64.3	Low	6 Å²	6	48.9 Å²	48.9	5%	0.05	26%	0.261	C	S	.	.	H	α-helix	trans	-61.9	-37.8	175.3	0	0	0	0	0	111.3	A675 N759 S760 V761 A767	A675-A763 HydrophobicContact CB-CB 4.25Å; N759-A763 WeakPolarHBondContact O-CB 3.45Å; N759-A763 PolarHBondContact O-N 2.78Å; S760-A763 PolarHBondContact O-N 2.88Å; V761-A763 VanDerWaalsContact C-N 3.3Å; V761-A763 PolarHBondContact O-N 2.86Å; A763-A767 VanDerWaalsContact O-CB 3.24Å; A763-A767 WeakPolarHBondContact O-CB 3.43Å; A763-A767 PolarHBondContact O-N 3.22Å
764	T	72	Confident	62.5	Low	0 Å²	0	48 Å²	48	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-63.9	-47.7	173.2	-55.1	0	0	0	0	111.6	V662 T672 F674 A675 S760 V761 E762 A767 L768	V662-T764 HydrophobicContact CG1-CG2 4.46Å; T672-T764 PolarHBondContact OG1-OG1 2.76Å; F674-T764 HydrophobicContact CB-CG2 4.42Å; F674-T764 HydrophobicContact CD2-CG2 4.1Å; A675-T764 VanDerWaalsContact CB-OG1 3.27Å; A675-T764 WeakPolarHBondContact CB-OG1 3.38Å; S760-T764 PolarHBondContact O-N 2.78Å; S760-T764 PolarHBondContact O-OG1 2.99Å; V761-T764 WeakPolarHBondContact O-CA 3.35Å; V761-T764 WeakPolarHBondContact O-CB 3.48Å; V761-T764 PolarHBondContact O-N 3.14Å; V761-T764 VanDerWaalsContact O-N 3.1Å; E762-T764 VanDerWaalsContact C-N 3.27Å; E762-T764 PolarHBondContact O-N 3.08Å; T764-A767 PolarHBondContact O-N 3.38Å; T764-L768 HydrophobicContact CG2-CD1 4.27Å; T764-L768 WeakPolarHBondContact O-CG 3.49Å; T764-L768 PolarHBondContact O-N 2.85Å
765	F	71.7	Confident	60.6	Low	10 Å²	10	51.1 Å²	51.1	4%	0.044	28%	0.277	C	S	.	.	H	α-helix	trans	-69.4	-34	177	-73.3	-65.9	0	0	0	113.2	L596 K597 S659 V662 V761 E762 L768 N769	L596-F765 WeakPolarHBondContact O-CE1 3.49Å; K597-F765 HydrophobicContact CB-CD1 4.34Å; K597-F765 HydrophobicContact CB-CD2 3.73Å; K597-F765 HydrophobicContact CB-CE1 4.4Å; K597-F765 HydrophobicContact CB-CE2 3.76Å; K597-F765 HydrophobicContact CB-CG 4.04Å; K597-F765 HydrophobicContact CB-CZ 4.12Å; S659-F765 WeakPolarHBondContact OG-CE1 3.01Å; V662-F765 HydrophobicContact CB-CZ 4.11Å; V662-F765 HydrophobicContact CG1-CE2 4.1Å; V662-F765 HydrophobicContact CG1-CZ 4.03Å; V761-F765 HydrophobicContact CG1-CD2 3.66Å; V761-F765 HydrophobicContact CG1-CE2 3.56Å; V761-F765 VanDerWaalsContact O-CD2 3.25Å; V761-F765 WeakPolarHBondContact O-CD2 3.23Å; V761-F765 PolarHBondContact O-N 3.08Å; E762-F765 PolarHBondContact O-N 3.16Å; F765-L768 HydrophobicContact CD1-CD1 4.16Å; F765-L768 HydrophobicContact CE1-CD1 4.47Å; F765-L768 PolarHBondContact O-N 3.39Å; F765-N769 VanDerWaalsContact O-CB 3.31Å; F765-N769 WeakPolarHBondContact O-CB 3.42Å; F765-N769 PolarHBondContact O-N 3.49Å; F765-N769 PolarHBondContact O-ND2 2.76Å
766	R	68.9	Low	59	Low	127 Å²	127	52.8 Å²	52.8	48%	0.479	28%	0.28	S	S	.	.	H	α-helix	trans	-65.4	-41.5	171.6	-78	-177.6	-111.2	138.8	-10.4	111.3	E762 N769 S770	E762-R766 WeakPolarHBondContact O-CB 3.23Å; E762-R766 VanDerWaalsContact O-CG 3.24Å; E762-R766 WeakPolarHBondContact O-CG 3.15Å; E762-R766 PolarHBondContact O-N 3.04Å; E762-R766 IonicContact OE2-CZ 3.84Å; E762-R766 IonicContact OE2-NE 3.73Å; E762-R766 IonicContact OE2-NH2 2.71Å; E762-R766 PolarHBondContact OE2-NH2 3.13Å; R766-N769 PolarHBondContact O-N 3.33Å; R766-S770 WeakPolarHBondContact O-CB 3.42Å; R766-S770 PolarHBondContact O-N 2.88Å; R766-S770 PolarHBondContact O-OG 3.25Å
767	A	65	Low	57.1	Low	1 Å²	1	55.4 Å²	55.4	1%	0.008	30%	0.296	C	S	.	.	H	α-helix	trans	-61	-49	174.4	0	0	0	0	0	110.8	V685 L686 A763 T764 N769 S770 T771	V685-A767 HydrophobicContact CB-CB 3.8Å; V685-A767 HydrophobicContact CG1-CB 3.77Å; L686-A767 HydrophobicContact CD2-CB 4.38Å; L686-A767 HydrophobicContact CG-CB 4.25Å; A763-A767 VanDerWaalsContact O-CB 3.24Å; A763-A767 WeakPolarHBondContact O-CB 3.43Å; A763-A767 PolarHBondContact O-N 3.22Å; T764-A767 PolarHBondContact O-N 3.38Å; A767-N769 PolarHBondContact O-N 3.16Å; A767-S770 WeakPolarHBondContact O-CB 3.3Å; A767-S770 PolarHBondContact O-N 2.91Å; A767-S770 VanDerWaalsContact O-N 3.13Å; A767-S770 PolarHBondContact O-OG 3.04Å; A767-T771 PolarHBondContact O-N 2.98Å; A767-T771 PolarHBondContact O-OG1 3.27Å
768	L	61.6	Low	55.5	Low	41 Å²	41	59.1 Å²	59.1	22%	0.215	31%	0.313	C	S	.	.	H	α-helix	trans	-58.4	-43.6	174.6	-70.9	165	0	0	0	112.5	I689 T764 F765 S770 T771	I689-L768 HydrophobicContact CD1-CD2 3.93Å; I689-L768 HydrophobicContact CD1-CG 4.18Å; T764-L768 HydrophobicContact CG2-CD1 4.27Å; T764-L768 WeakPolarHBondContact O-CG 3.49Å; T764-L768 PolarHBondContact O-N 2.85Å; F765-L768 HydrophobicContact CD1-CD1 4.16Å; F765-L768 HydrophobicContact CE1-CD1 4.47Å; F765-L768 PolarHBondContact O-N 3.39Å; L768-S770 VanDerWaalsContact C-N 3.32Å; L768-S770 PolarHBondContact O-N 3.08Å; L768-T771 VanDerWaalsContact CA-OG1 3.24Å; L768-T771 WeakPolarHBondContact CA-OG1 3.43Å; L768-T771 WeakPolarHBondContact O-CB 3.48Å; L768-T771 PolarHBondContact O-N 3Å; L768-T771 PolarHBondContact O-OG1 3.03Å
769	N	54.6	Low	53.7	Low	85 Å²	85	60.7 Å²	60.7	46%	0.455	33%	0.328	S	S	.	.	H	α-helix	trans	-69.1	-30.2	177	-71	-15.2	0	0	0	112.2	F765 R766 A767 T771 S772	F765-N769 VanDerWaalsContact O-CB 3.31Å; F765-N769 WeakPolarHBondContact O-CB 3.42Å; F765-N769 PolarHBondContact O-N 3.49Å; F765-N769 PolarHBondContact O-ND2 2.76Å; R766-N769 PolarHBondContact O-N 3.33Å; A767-N769 PolarHBondContact O-N 3.16Å; N769-T771 VanDerWaalsContact C-N 3.35Å; N769-S772 VanDerWaalsContact O-CB 3.31Å; N769-S772 WeakPolarHBondContact O-CB 3.49Å; N769-S772 PolarHBondContact O-N 2.95Å; N769-S772 PolarHBondContact O-OG 3.44Å
770	S	48.4	Very low	52	Low	48 Å²	48	60 Å²	60	34%	0.336	33%	0.326	S	S	.	.	H	α-helix	trans	-71.8	-26.7	172.3	78.7	0	0	0	0	113	S682 R766 A767 L768 S772 K773	S682-S770 VanDerWaalsContact CB-OG 3.31Å; S682-S770 WeakPolarHBondContact CB-OG 3.43Å; R766-S770 WeakPolarHBondContact O-CB 3.42Å; R766-S770 PolarHBondContact O-N 2.88Å; R766-S770 PolarHBondContact O-OG 3.25Å; A767-S770 WeakPolarHBondContact O-CB 3.3Å; A767-S770 PolarHBondContact O-N 2.91Å; A767-S770 VanDerWaalsContact O-N 3.13Å; A767-S770 PolarHBondContact O-OG 3.04Å; L768-S770 VanDerWaalsContact C-N 3.32Å; L768-S770 PolarHBondContact O-N 3.08Å; S770-S772 PolarHBondContact O-N 3.07Å; S770-K773 PolarHBondContact O-N 2.8Å; S770-K773 VanDerWaalsContact O-N 3.11Å
771	T	42.3	Very low	50.6	Low	39 Å²	39	60.9 Å²	60.9	24%	0.239	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-67.6	-10.9	175	-12.7	0	0	0	0	113.7	L686 A767 L768 N769 K773 I774	L686-T771 HydrophobicContact CD1-CG2 4Å; L686-T771 HydrophobicContact CD2-CG2 3.66Å; L686-T771 WeakPolarHBondContact CD2-OG1 3.13Å; L686-T771 HydrophobicContact CG-CG2 4.44Å; A767-T771 PolarHBondContact O-N 2.98Å; A767-T771 PolarHBondContact O-OG1 3.27Å; L768-T771 VanDerWaalsContact CA-OG1 3.24Å; L768-T771 WeakPolarHBondContact CA-OG1 3.43Å; L768-T771 WeakPolarHBondContact O-CB 3.48Å; L768-T771 PolarHBondContact O-N 3Å; L768-T771 PolarHBondContact O-OG1 3.03Å; N769-T771 VanDerWaalsContact C-N 3.35Å; T771-K773 PolarHBondContact O-N 3.47Å; T771-I774 HydrophobicContact CG2-CB 4.32Å; T771-I774 HydrophobicContact CG2-CD1 3.38Å; T771-I774 HydrophobicContact CG2-CG1 3.65Å; T771-I774 PolarHBondContact O-N 2.83Å
772	S	36.5	Very low	49.2	Very low	97 Å²	97	62 Å²	62	68%	0.678	34%	0.336	S	S	*	.	G	3₁₀ helix	trans	-55.3	-4.6	163.6	-45.8	0	0	0	0	113.2	N769 S770	N769-S772 VanDerWaalsContact O-CB 3.31Å; N769-S772 WeakPolarHBondContact O-CB 3.49Å; N769-S772 PolarHBondContact O-N 2.95Å; N769-S772 PolarHBondContact O-OG 3.44Å; S770-S772 PolarHBondContact O-N 3.07Å
773	K	34.2	Very low	47.9	Very low	80 Å²	80	60.2 Å²	60.2	35%	0.348	33%	0.333	S	S	.	.	G	3₁₀ helix	trans	-126.1	23.9	176.6	-53.5	-175.3	-177	-175.1	0	114.3	E354 S357 S770 T771	E354-K773 HydrophobicContact CG-CD 3.88Å; E354-K773 HydrophobicContact CG-CG 4.12Å; E354-K773 PolarHBondContact O-NZ 2.73Å; E354-K773 WeakPolarHBondContact OE1-CG 3.38Å; S357-K773 PolarHBondContact OG-NZ 3.19Å; S770-K773 PolarHBondContact O-N 2.8Å; S770-K773 VanDerWaalsContact O-N 3.11Å; T771-K773 PolarHBondContact O-N 3.47Å
774	I	29.8	Very low	46.4	Very low	69 Å²	69	63.1 Å²	63.1	35%	0.354	35%	0.351	S	S	.	.	S	Bend	trans	-81.8	126.5	154.9	-65.7	-173	0	0	0	107	E690 T771 I776	E690-I774 WeakPolarHBondContact OE1-CD1 3.28Å; T771-I774 HydrophobicContact CG2-CB 4.32Å; T771-I774 HydrophobicContact CG2-CD1 3.38Å; T771-I774 HydrophobicContact CG2-CG1 3.65Å; T771-I774 PolarHBondContact O-N 2.83Å; I774-I776 PolarHBondContact O-N 3.21Å
775	P	28.6	Very low	45.2	Very low	115 Å²	115	63.5 Å²	63.5	75%	0.747	35%	0.353	S	S	*	.			trans	-71.1	85.7	167.5	30.8	-32.5	0	0	0	107.8	L777	P775-L777 PolarHBondContact O-N 3.12Å; P775-L777 VanDerWaalsContact O-N 3.1Å
776	I	36.9	Very low	44	Very low	98 Å²	98	63.1 Å²	63.1	50%	0.503	35%	0.351	S	S	.	.			trans	-56.5	121.2	167	-51.2	176	0	0	0	105.2	I774 E778	I774-I776 PolarHBondContact O-N 3.21Å; I776-E778 HydrophobicContact CB-CG 3.66Å; I776-E778 HydrophobicContact CG2-CB 4.41Å; I776-E778 HydrophobicContact CG2-CG 3.53Å; I776-E778 PolarHBondContact O-N 3.27Å
777	L	32.1	Very low	43	Very low	147 Å²	147	59.1 Å²	59.1	77%	0.77	34%	0.338	S	S	*	.			trans	-72.1	72.6	162.6	-80.4	168.3	0	0	0	106.4	P775	P775-L777 PolarHBondContact O-N 3.12Å; P775-L777 VanDerWaalsContact O-N 3.1Å
778	E	38.1	Very low	42.3	Very low	80 Å²	80	60 Å²	60	37%	0.374	34%	0.341	S	S	.	.			trans	-62.9	155	174.8	-53.4	-171.4	119.1	0	0	108.7	I776 C782	I776-E778 HydrophobicContact CB-CG 3.66Å; I776-E778 HydrophobicContact CG2-CB 4.41Å; I776-E778 HydrophobicContact CG2-CG 3.53Å; I776-E778 PolarHBondContact O-N 3.27Å; E778-C782 HydrophobicContact CB-CB 3.42Å; E778-C782 VanDerWaalsContact CB-CB 3.42Å; E778-C782 VanDerWaalsContact CD-CB 3.42Å; E778-C782 HydrophobicContact CG-CB 4.02Å; E778-C782 WeakPolarHBondContact OE2-CB 3.48Å
779	P	35.7	Very low	41.8	Very low	73 Å²	73	58.1 Å²	58.1	47%	0.474	33%	0.331	S	S	.	.			trans	-47.2	148.2	162.6	-25.4	35.5	0	0	0	110.3	E781 C782	P779-E781 WeakPolarHBondContact CB-OE1 3.33Å; P779-E781 WeakPolarHBondContact CB-OE2 3.1Å; P779-E781 PolarHBondContact O-N 2.77Å; P779-C782 PolarHBondContact O-N 3.06Å
780	V	38.5	Very low	41.6	Very low	43 Å²	43	55.1 Å²	55.1	26%	0.261	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-58.7	-27.7	-172.3	149.7	0	0	0	0	110.8	E265 C782 S783 A786	E265-V780 WeakPolarHBondContact O-CB 3.45Å; V780-C782 VanDerWaalsContact C-N 3.25Å; V780-C782 PolarHBondContact O-N 3.5Å; V780-S783 VanDerWaalsContact O-CB 3.28Å; V780-S783 WeakPolarHBondContact O-CB 3.45Å; V780-S783 PolarHBondContact O-N 3.17Å; V780-A786 WeakPolarHBondContact O-CB 3.37Å
781	E	45.3	Very low	41.7	Very low	25 Å²	25	58.2 Å²	58.2	12%	0.117	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-47.4	-37.5	168.6	-52.4	92.9	-88	0	0	115.5	E265 P779 A786 Q787	E265-E781 VanDerWaalsContact CA-OE1 3.24Å; E265-E781 WeakPolarHBondContact CA-OE1 3.37Å; E265-E781 VanDerWaalsContact CB-CD 3.41Å; E265-E781 HydrophobicContact CB-CG 3.72Å; E265-E781 VanDerWaalsContact CB-OE1 3.3Å; E265-E781 WeakPolarHBondContact CB-OE1 3.37Å; E265-E781 HydrophobicContact CG-CG 3.44Å; E265-E781 VanDerWaalsContact CG-CG 3.44Å; P779-E781 WeakPolarHBondContact CB-OE1 3.33Å; P779-E781 WeakPolarHBondContact CB-OE2 3.1Å; P779-E781 PolarHBondContact O-N 2.77Å; E781-A786 VanDerWaalsContact C-CB 3.44Å; E781-A786 CarbonylContact O-C 3.59Å; E781-A786 WeakPolarHBondContact O-CB 3.44Å; E781-Q787 WeakPolarHBondContact O-CG 3.38Å; E781-Q787 PolarHBondContact O-N 3.33Å; E781-Q787 VanDerWaalsContact O-N 3.11Å
782	C	44.3	Very low	42	Very low	29 Å²	29	56.3 Å²	56.3	20%	0.196	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-89	-8.8	-171.7	-55.6	0	0	0	0	112.3	E778 P779 V780 T784 Q787	E778-C782 HydrophobicContact CB-CB 3.42Å; E778-C782 VanDerWaalsContact CB-CB 3.42Å; E778-C782 VanDerWaalsContact CD-CB 3.42Å; E778-C782 HydrophobicContact CG-CB 4.02Å; E778-C782 WeakPolarHBondContact OE2-CB 3.48Å; P779-C782 PolarHBondContact O-N 3.06Å; V780-C782 VanDerWaalsContact C-N 3.25Å; V780-C782 PolarHBondContact O-N 3.5Å; C782-T784 PolarHBondContact O-N 3.5Å; C782-Q787 PolarHBondContact O-NE2 2.8Å
783	S	48	Very low	42.6	Very low	51 Å²	51	56.1 Å²	56.1	36%	0.357	30%	0.296	S	S	.	.	S	Bend	trans	-50.2	134.5	160.7	179.2	0	0	0	0	109.2	V780 L785 A786 Q787	V780-S783 VanDerWaalsContact O-CB 3.28Å; V780-S783 WeakPolarHBondContact O-CB 3.45Å; V780-S783 PolarHBondContact O-N 3.17Å; S783-L785 PolarHBondContact O-N 3.27Å; S783-L785 VanDerWaalsContact O-N 3.08Å; S783-L785 VanDerWaalsContact OG-CB 3.23Å; S783-L785 WeakPolarHBondContact OG-CB 3.31Å; S783-L785 PolarHBondContact OG-N 3.41Å; S783-A786 CarbonylContact O-C 3.28Å; S783-A786 WeakPolarHBondContact O-CA 3.43Å; S783-A786 WeakPolarHBondContact O-CB 3.36Å; S783-A786 PolarHBondContact O-N 2.94Å; S783-Q787 WeakPolarHBondContact O-CG 3.35Å; S783-Q787 PolarHBondContact O-N 2.82Å
784	T	41.8	Very low	43.3	Very low	67 Å²	67	55 Å²	55	41%	0.411	30%	0.298	S	S	.	.	H	α-helix	trans	-52.1	-31.9	173.2	32.6	0	0	0	0	112.3	F148 C782 R788	F148-T784 VanDerWaalsContact CZ-OG1 3.32Å; F148-T784 WeakPolarHBondContact CZ-OG1 3.35Å; C782-T784 PolarHBondContact O-N 3.5Å; T784-R788 VanDerWaalsContact O-CG 3.28Å; T784-R788 WeakPolarHBondContact O-CG 3.35Å; T784-R788 PolarHBondContact O-N 2.63Å
785	L	46.3	Very low	44.1	Very low	9 Å²	9	54 Å²	54	5%	0.047	29%	0.293	C	S	.	.	H	α-helix	trans	-57.4	-49.8	169.6	-160.1	76.5	0	0	0	111.9	F148 E227 Y228 E254 L260 S783 R788 R789	F148-L785 HydrophobicContact CE2-CD1 4.33Å; E227-L785 HydrophobicContact CB-CD2 4.14Å; E227-L785 HydrophobicContact CG-CD2 3.82Å; Y228-L785 HydrophobicContact CE2-CD1 4.44Å; Y228-L785 HydrophobicContact CE2-CD2 4.24Å; E254-L785 WeakPolarHBondContact OE1-CD1 3.24Å; L260-L785 HydrophobicContact CD1-CD1 3.34Å; L260-L785 HydrophobicContact CD1-CD2 4.06Å; L260-L785 HydrophobicContact CD1-CG 3.39Å; S783-L785 PolarHBondContact O-N 3.27Å; S783-L785 VanDerWaalsContact O-N 3.08Å; S783-L785 VanDerWaalsContact OG-CB 3.23Å; S783-L785 WeakPolarHBondContact OG-CB 3.31Å; S783-L785 PolarHBondContact OG-N 3.41Å; L785-R788 PolarHBondContact O-N 3.11Å; L785-R789 VanDerWaalsContact O-CD 3.24Å; L785-R789 WeakPolarHBondContact O-CD 3.48Å; L785-R789 VanDerWaalsContact O-CG 3.25Å; L785-R789 WeakPolarHBondContact O-CG 3.49Å; L785-R789 PolarHBondContact O-N 3.44Å
786	A	48	Very low	45	Very low	1 Å²	1	48.8 Å²	48.8	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-76	-42	-174.9	0	0	0	0	0	113.8	H263 V780 E781 S783 R788 R789 V790	H263-A786 VanDerWaalsContact CE1-CB 3.45Å; H263-A786 WeakPolarHBondContact CE1-CB 2.86Å; H263-A786 WeakPolarHBondContact NE2-CB 3.24Å; V780-A786 WeakPolarHBondContact O-CB 3.37Å; E781-A786 VanDerWaalsContact C-CB 3.44Å; E781-A786 CarbonylContact O-C 3.59Å; E781-A786 WeakPolarHBondContact O-CB 3.44Å; S783-A786 CarbonylContact O-C 3.28Å; S783-A786 WeakPolarHBondContact O-CA 3.43Å; S783-A786 WeakPolarHBondContact O-CB 3.36Å; S783-A786 PolarHBondContact O-N 2.94Å; A786-R788 PolarHBondContact O-N 3.02Å; A786-R789 CarbonylContact O-C 3.55Å; A786-R789 WeakPolarHBondContact O-CA 3.22Å; A786-R789 WeakPolarHBondContact O-CB 3.1Å; A786-R789 PolarHBondContact O-N 2.65Å; A786-V790 WeakPolarHBondContact O-CG2 3.47Å; A786-V790 PolarHBondContact O-N 2.81Å
787	Q	48.1	Very low	45.4	Very low	43 Å²	43	47.7 Å²	47.7	20%	0.201	26%	0.256	C	S	.	.	H	α-helix	trans	-54.9	-34.9	170.5	-64.3	177.6	28.8	0	0	111.5	M648 E781 C782 S783 R791	M648-Q787 VanDerWaalsContact CE-NE2 3.27Å; M648-Q787 HydrophobicContact SD-CG 4.08Å; E781-Q787 WeakPolarHBondContact O-CG 3.38Å; E781-Q787 PolarHBondContact O-N 3.33Å; E781-Q787 VanDerWaalsContact O-N 3.11Å; C782-Q787 PolarHBondContact O-NE2 2.8Å; S783-Q787 WeakPolarHBondContact O-CG 3.35Å; S783-Q787 PolarHBondContact O-N 2.82Å; Q787-R791 WeakPolarHBondContact O-CG 3.34Å; Q787-R791 PolarHBondContact O-N 3.09Å
788	R	49.5	Very low	46	Very low	21 Å²	21	44.8 Å²	44.8	8%	0.079	24%	0.242	C	C	.	.	H	α-helix	trans	-77	-43	173.2	-61.1	170.9	-165.6	153	14.5	112.4	S152 G258 M259 T784 L785 A786 V790 R791 A792	S152-R788 VanDerWaalsContact CA-NH2 3.32Å; S152-R788 VanDerWaalsContact CB-NH2 3.33Å; S152-R788 PolarHBondContact OG-NH2 3.37Å; G258-R788 WeakPolarHBondContact O-CB 3.44Å; G258-R788 WeakPolarHBondContact O-CD 3.27Å; M259-R788 WeakPolarHBondContact CG-O 3.39Å; T784-R788 VanDerWaalsContact O-CG 3.28Å; T784-R788 WeakPolarHBondContact O-CG 3.35Å; T784-R788 PolarHBondContact O-N 2.63Å; L785-R788 PolarHBondContact O-N 3.11Å; A786-R788 PolarHBondContact O-N 3.02Å; R788-V790 CarbonylContact O-C 3.59Å; R788-V790 PolarHBondContact O-N 2.85Å; R788-R791 PolarHBondContact O-N 3.34Å; R788-A792 PolarHBondContact O-N 2.61Å
789	R	51.9	Low	46.3	Very low	0 Å²	0	43.5 Å²	43.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-51.2	-22.1	171.2	-72.8	149.3	162.6	-91.5	-17.7	114.1	E227 M259 L260 F262 H263 L785 A786	E227-R789 VanDerWaalsContact CG-NH2 3.32Å; E227-R789 PolarHBondContact O-NH2 3.07Å; E227-R789 VanDerWaalsContact O-NH2 3.11Å; M259-R789 VanDerWaalsContact SD-C 3.6Å; L260-R789 HydrophobicContact CB-CG 3.77Å; L260-R789 HydrophobicContact CD1-CG 3.88Å; L260-R789 HydrophobicContact CG-CG 4.34Å; L260-R789 VanDerWaalsContact N-CG 3.35Å; F262-R789 PolarHBondContact O-NH1 3.05Å; H263-R789 HydrophobicContact CB-CB 3.71Å; H263-R789 HydrophobicContact CB-CG 3.82Å; H263-R789 VanDerWaalsContact CD2-CB 3.45Å; H263-R789 WeakPolarHBondContact CD2-CB 3.5Å; H263-R789 VanDerWaalsContact CG-NH1 3.3Å; H263-R789 WeakPolarHBondContact ND1-CD 3.23Å; H263-R789 PolarHBondContact ND1-NH1 2.91Å; L785-R789 VanDerWaalsContact O-CD 3.24Å; L785-R789 WeakPolarHBondContact O-CD 3.48Å; L785-R789 VanDerWaalsContact O-CG 3.25Å; L785-R789 WeakPolarHBondContact O-CG 3.49Å; L785-R789 PolarHBondContact O-N 3.44Å; A786-R789 CarbonylContact O-C 3.55Å; A786-R789 WeakPolarHBondContact O-CA 3.22Å; A786-R789 WeakPolarHBondContact O-CB 3.1Å; A786-R789 PolarHBondContact O-N 2.65Å
790	V	50.1	Low	46.7	Very low	23 Å²	23	43 Å²	43	14%	0.139	23%	0.228	C	C	.	.	H	α-helix	trans	-82.1	-53.2	168.8	168.1	0	0	0	0	111.4	A642 E644 A786 R788 A792 K793	A642-V790 HydrophobicContact CB-CG1 4.1Å; E644-V790 HydrophobicContact CG-CB 4.39Å; E644-V790 HydrophobicContact CG-CG1 3.78Å; E644-V790 HydrophobicContact CG-CG2 4.08Å; E644-V790 WeakPolarHBondContact OE1-CG1 3.4Å; E644-V790 WeakPolarHBondContact OE1-CG2 3.08Å; A786-V790 WeakPolarHBondContact O-CG2 3.47Å; A786-V790 PolarHBondContact O-N 2.81Å; R788-V790 CarbonylContact O-C 3.59Å; R788-V790 PolarHBondContact O-N 2.85Å; V790-A792 PolarHBondContact O-N 3.38Å; V790-K793 WeakPolarHBondContact O-CB 3.42Å; V790-K793 PolarHBondContact O-N 3.07Å; V790-K793 VanDerWaalsContact O-N 3.11Å
791	R	49.9	Very low	47	Very low	112 Å²	112	45.7 Å²	45.7	42%	0.423	24%	0.236	S	C	.	.	H	α-helix	trans	-61.8	-43.9	-167.1	-75.6	178.5	177.3	166	5.3	115	Y155 Q787 R788 K793 S794 I795	Y155-R791 WeakPolarHBondContact OH-CB 3.39Å; Y155-R791 WeakPolarHBondContact OH-CD 3.39Å; Q787-R791 WeakPolarHBondContact O-CG 3.34Å; Q787-R791 PolarHBondContact O-N 3.09Å; R788-R791 PolarHBondContact O-N 3.34Å; R791-K793 VanDerWaalsContact C-N 3.29Å; R791-K793 PolarHBondContact O-N 3.16Å; R791-S794 PolarHBondContact O-N 2.93Å; R791-S794 PolarHBondContact O-OG 2.86Å; R791-I795 PolarHBondContact O-N 2.99Å
792	A	49.2	Very low	47.2	Very low	0 Å²	0	48.4 Å²	48.4	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-82.4	-0.3	178.2	0	0	0	0	0	114.6	T257 M259 R788 V790 S794 I795 L796	T257-A792 WeakPolarHBondContact O-CB 3.06Å; M259-A792 HydrophobicContact CE-CB 3.88Å; M259-A792 HydrophobicContact CG-CB 3.16Å; M259-A792 WeakPolarHBondContact SD-CA 3.48Å; M259-A792 HydrophobicContact SD-CB 3.53Å; M259-A792 VanDerWaalsContact SD-CB 3.53Å; M259-A792 PolarHBondContact SD-N 3.05Å; R788-A792 PolarHBondContact O-N 2.61Å; V790-A792 PolarHBondContact O-N 3.38Å; A792-S794 VanDerWaalsContact C-N 3.26Å; A792-I795 HydrophobicContact CB-CB 3.96Å; A792-I795 HydrophobicContact CB-CD1 3.85Å; A792-I795 HydrophobicContact CB-CG1 4.19Å; A792-I795 PolarHBondContact O-N 2.86Å; A792-L796 PolarHBondContact O-N 2.89Å
793	K	47.9	Very low	47.3	Very low	93 Å²	93	51.8 Å²	51.8	40%	0.404	27%	0.268	S	S	.	.	H	α-helix	trans	-69.5	-34	163.5	-82.7	178.6	177.4	170.1	0	108.4	M259 H263 V790 R791 T797	M259-K793 HydrophobicContact CE-CB 4.5Å; M259-K793 HydrophobicContact CE-CG 3.96Å; M259-K793 HydrophobicContact SD-CB 4.31Å; M259-K793 HydrophobicContact SD-CG 4.01Å; M259-K793 PolarHBondContact SD-N 3.17Å; H263-K793 PolarHBondContact O-NZ 3.11Å; V790-K793 WeakPolarHBondContact O-CB 3.42Å; V790-K793 PolarHBondContact O-N 3.07Å; V790-K793 VanDerWaalsContact O-N 3.11Å; R791-K793 VanDerWaalsContact C-N 3.29Å; R791-K793 PolarHBondContact O-N 3.16Å; K793-T797 PolarHBondContact O-N 3.1Å; K793-T797 VanDerWaalsContact O-N 3.1Å; K793-T797 PolarHBondContact O-OG1 3.03Å
794	S	49	Very low	47.1	Very low	55 Å²	55	56.7 Å²	56.7	39%	0.385	29%	0.285	S	S	.	.	H	α-helix	trans	-70.6	-37.7	169.2	84.5	0	0	0	0	112.1	R791 A792 T797 N798	R791-S794 PolarHBondContact O-N 2.93Å; R791-S794 PolarHBondContact O-OG 2.86Å; A792-S794 VanDerWaalsContact C-N 3.26Å; S794-T797 WeakPolarHBondContact CA-OG1 3.25Å; S794-T797 PolarHBondContact O-N 2.87Å; S794-T797 PolarHBondContact O-OG1 2.55Å; S794-N798 WeakPolarHBondContact O-CB 3.34Å; S794-N798 VanDerWaalsContact O-CG 3.29Å; S794-N798 PolarHBondContact O-N 3.06Å; S794-N798 PolarHBondContact O-ND2 3.19Å
795	I	47.3	Very low	47.4	Very low	50 Å²	50	64 Å²	64	26%	0.256	31%	0.305	S	S	.	.	H	α-helix	trans	-62	-45.3	174.7	-60.3	172.8	0	0	0	111.2	Y155 M156 F284 R791 A792 N798 Q799	Y155-I795 HydrophobicContact CE1-CD1 4.15Å; M156-I795 HydrophobicContact CE-CD1 4.34Å; F284-I795 HydrophobicContact CE1-CG2 4.49Å; R791-I795 PolarHBondContact O-N 2.99Å; A792-I795 HydrophobicContact CB-CB 3.96Å; A792-I795 HydrophobicContact CB-CD1 3.85Å; A792-I795 HydrophobicContact CB-CG1 4.19Å; A792-I795 PolarHBondContact O-N 2.86Å; I795-N798 PolarHBondContact O-N 3.05Å; I795-Q799 PolarHBondContact O-N 3.42Å
796	L	46.9	Very low	47.2	Very low	5 Å²	5	74 Å²	74	3%	0.026	35%	0.351	C	S	.	.	H	α-helix	trans	-59.7	-50.1	174.1	-110.1	80.2	0	0	0	112.7	S280 P282 A792 N798 Q799 I800	S280-L796 WeakPolarHBondContact OG-CD2 3.35Å; P282-L796 HydrophobicContact CB-CD1 3.52Å; P282-L796 HydrophobicContact CB-CG 4.23Å; P282-L796 HydrophobicContact CG-CD1 3.78Å; A792-L796 PolarHBondContact O-N 2.89Å; L796-N798 PolarHBondContact O-N 3.01Å; L796-Q799 PolarHBondContact O-N 2.89Å; L796-I800 WeakPolarHBondContact O-CG1 3.32Å; L796-I800 PolarHBondContact O-N 2.55Å
797	T	46.2	Very low	47.2	Very low	74 Å²	74	77.6 Å²	77.6	45%	0.454	37%	0.368	S	S	.	.	H	α-helix	trans	-70.1	-20.5	-175.6	41	0	0	0	0	113.1	K793 S794 K801	K793-T797 PolarHBondContact O-N 3.1Å; K793-T797 VanDerWaalsContact O-N 3.1Å; K793-T797 PolarHBondContact O-OG1 3.03Å; S794-T797 WeakPolarHBondContact CA-OG1 3.25Å; S794-T797 PolarHBondContact O-N 2.87Å; S794-T797 PolarHBondContact O-OG1 2.55Å; T797-K801 WeakPolarHBondContact O-CD 3.47Å; T797-K801 VanDerWaalsContact O-CG 3.32Å; T797-K801 WeakPolarHBondContact O-CG 3.1Å
798	N	44.6	Very low	47.1	Very low	87 Å²	87	79.4 Å²	79.4	47%	0.465	38%	0.377	S	S	.	.	H	α-helix	trans	-79.5	-32.5	171.4	-74.6	-16.8	0	0	0	113	S794 I795 L796 V802	S794-N798 WeakPolarHBondContact O-CB 3.34Å; S794-N798 VanDerWaalsContact O-CG 3.29Å; S794-N798 PolarHBondContact O-N 3.06Å; S794-N798 PolarHBondContact O-ND2 3.19Å; I795-N798 PolarHBondContact O-N 3.05Å; L796-N798 PolarHBondContact O-N 3.01Å; N798-V802 WeakPolarHBondContact O-CG2 3.39Å; N798-V802 PolarHBondContact O-N 2.66Å
799	Q	42.9	Very low	47	Very low	53 Å²	53	82.7 Å²	82.7	25%	0.248	39%	0.393	C	S	.	.	H	α-helix	trans	-72.2	-45.1	176.7	-73.5	176.7	2	0	0	112.7	F284 I795 L796 K801 V802 E803	F284-Q799 VanDerWaalsContact CD1-OE1 3.25Å; I795-Q799 PolarHBondContact O-N 3.42Å; L796-Q799 PolarHBondContact O-N 2.89Å; Q799-K801 PolarHBondContact O-N 2.86Å; Q799-V802 PolarHBondContact O-N 3.3Å; Q799-E803 PolarHBondContact O-N 2.72Å
800	I	46	Very low	46.7	Very low	61 Å²	61	87.5 Å²	87.5	31%	0.313	42%	0.416	S	S	.	.	H	α-helix	trans	-57.9	-36.6	177.6	-62.9	166.1	0	0	0	110.8	Q283 L796 V802 E803 E804	Q283-I800 HydrophobicContact CG-CG1 4.32Å; L796-I800 WeakPolarHBondContact O-CG1 3.32Å; L796-I800 PolarHBondContact O-N 2.55Å; I800-V802 VanDerWaalsContact C-N 3.31Å; I800-V802 PolarHBondContact O-N 3.47Å; I800-E803 PolarHBondContact O-N 3.02Å; I800-E804 WeakPolarHBondContact O-CG 3.36Å; I800-E804 PolarHBondContact O-N 3.24Å
801	K	44.5	Very low	46.5	Very low	100 Å²	100	91.6 Å²	91.6	44%	0.435	43%	0.434	S	S	.	.	H	α-helix	trans	-73.7	-13.7	176.3	-75.7	177.7	-179.9	174.1	0	115.4	T797 Q799 R805	T797-K801 WeakPolarHBondContact O-CD 3.47Å; T797-K801 VanDerWaalsContact O-CG 3.32Å; T797-K801 WeakPolarHBondContact O-CG 3.1Å; Q799-K801 PolarHBondContact O-N 2.86Å; K801-R805 WeakPolarHBondContact O-CD 3.3Å; K801-R805 WeakPolarHBondContact O-CG 3.21Å
802	V	48.8	Very low	46.2	Very low	83 Å²	83	90.2 Å²	90.2	50%	0.503	43%	0.434	S	S	.	.	H	α-helix	trans	-90.8	-38.8	173.6	171.3	0	0	0	0	109.7	N798 Q799 I800 E804 R805 H806	N798-V802 WeakPolarHBondContact O-CG2 3.39Å; N798-V802 PolarHBondContact O-N 2.66Å; Q799-V802 PolarHBondContact O-N 3.3Å; I800-V802 VanDerWaalsContact C-N 3.31Å; I800-V802 PolarHBondContact O-N 3.47Å; V802-E804 VanDerWaalsContact C-N 3.35Å; V802-R805 PolarHBondContact O-N 3.13Å; V802-R805 VanDerWaalsContact O-N 3.14Å; V802-H806 PolarHBondContact O-CD2 3.18Å; V802-H806 PolarHBondContact O-N 2.89Å
803	E	45.7	Very low	46	Very low	100 Å²	100	96.6 Å²	96.6	47%	0.467	47%	0.465	S	S	.	.	H	α-helix	trans	-66.6	-30.9	172.6	-68.8	176.7	174.8	0	0	113.1	Q283 Q799 I800 R805	Q283-E803 VanDerWaalsContact CB-OE1 3.28Å; Q283-E803 WeakPolarHBondContact CB-OE1 3.3Å; Q283-E803 VanDerWaalsContact CG-OE2 3.29Å; Q283-E803 WeakPolarHBondContact CG-OE2 3.4Å; Q283-E803 PolarHBondContact NE2-OE2 2.9Å; Q283-E803 VanDerWaalsContact NE2-OE2 3.13Å; Q799-E803 PolarHBondContact O-N 2.72Å; I800-E803 PolarHBondContact O-N 3.02Å; E803-R805 PolarHBondContact O-N 2.61Å
804	E	44.1	Very low	45.9	Very low	154 Å²	154	96.9 Å²	96.9	72%	0.72	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	3.9	172.1	-71.6	-179.2	160.9	0	0	114.1	I800 V802	I800-E804 WeakPolarHBondContact O-CG 3.36Å; I800-E804 PolarHBondContact O-N 3.24Å; V802-E804 VanDerWaalsContact C-N 3.35Å
805	R	48	Very low	45.6	Very low	219 Å²	219	100.4 Å²	100.4	83%	0.826	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-121.5	-2.9	179.8	-74.7	-176.2	177.4	-164.2	-0.7	114.4	K801 V802 E803	K801-R805 WeakPolarHBondContact O-CD 3.3Å; K801-R805 WeakPolarHBondContact O-CG 3.21Å; V802-R805 PolarHBondContact O-N 3.13Å; V802-R805 VanDerWaalsContact O-N 3.14Å; E803-R805 PolarHBondContact O-N 2.61Å
806	H	42.6	Very low	45.5	Very low	219 Å²	219	105 Å²	105	100%	1.014	50%	0.497	S	S	*	.			trans	-106.7	0	169.8	-78.6	-63	0	0	0	110.1	V802	V802-H806 PolarHBondContact O-CD2 3.18Å; V802-H806 PolarHBondContact O-N 2.89Å

Retrieved 806 of 806 residues in 303.9 ms (Link to these results)

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