A0A087X3H6_POEFO Loading...

Serine/threonine-protein kinase receptor

AlphaFold DB , UniProt , Accession A0A087X3H6, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 538 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [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	32.7	Very low	31	Very low	241 Å²	241	135.2 Å²	135.2	100%	1.187	77%	0.772	S	S	*	*				0	135.2	0	-80.3	156.2	173.1	0	0	107.8
2	E	32.6	Very low	30.8	Very low	172 Å²	172	138.7 Å²	138.7	80%	0.804	78%	0.777	S	S	*	*			trans	-5.5	154.5	157.4	-61.6	179.4	128	0	0	120.1
3	L	33.4	Very low	30.7	Very low	133 Å²	133	145.9 Å²	145.9	70%	0.696	79%	0.785	S	S	*	*			cis	-167.4	153.4	-10.6	-114.8	165.9	0	0	0	110.3
4	G	30.7	Very low	30.5	Very low	63 Å²	63	141.2 Å²	141.2	65%	0.649	78%	0.776	S	S	*	*			trans	90.7	152.8	138.4	0	0	0	0	0	118.3
5	H	33.3	Very low	30.3	Very low	155 Å²	155	140.6 Å²	140.6	72%	0.718	78%	0.777	S	S	*	*			cis	-161.8	146.4	-13.9	-118.7	-63.5	0	0	0	109.4
6	L	31.5	Very low	30.2	Very low	141 Å²	141	137.8 Å²	137.8	74%	0.738	77%	0.77	S	S	*	*			trans	22.5	152.9	141.8	-92.5	88.5	0	0	0	121.5
7	H	31.1	Very low	30	Very low	143 Å²	143	139.4 Å²	139.4	66%	0.662	78%	0.777	S	S	*	*			cis	177.3	143.6	-16.2	-135.4	-23.6	0	0	0	107.9
8	L	29.5	Very low	29.8	Very low	145 Å²	145	135.3 Å²	135.3	76%	0.759	77%	0.772	S	S	*	*			trans	57.2	161.9	151.8	-65.7	158.3	0	0	0	117.9
9	T	29.6	Very low	29.6	Very low	134 Å²	134	136.7 Å²	136.7	82%	0.822	78%	0.777	S	S	*	*			cis	-135.5	176.2	-4.7	41.1	0	0	0	0	107.8
10	G	28	Very low	29.5	Very low	66 Å²	66	140.9 Å²	140.9	68%	0.68	78%	0.779	S	S	*	*			cis	139.5	157.4	1.5	0	0	0	0	0	111.8
11	A	29.1	Very low	29.5	Very low	94 Å²	94	138.8 Å²	138.8	78%	0.777	78%	0.78	S	S	*	*			trans	69.5	153.4	176.4	0	0	0	0	0	116.8
12	Q	28.4	Very low	29.3	Very low	177 Å²	177	136.8 Å²	136.8	83%	0.827	76%	0.76	S	S	*	*			cis	-159.5	159.2	1.3	-127	161.4	2.8	0	0	113
13	R	29.1	Very low	29	Very low	233 Å²	233	138.5 Å²	138.5	88%	0.879	76%	0.759	S	S	*	*			trans	-8.3	163.3	148.7	-72.5	176	179.5	177.1	-1.2	120.1
14	A	28.2	Very low	28.7	Very low	80 Å²	80	143.1 Å²	143.1	66%	0.661	77%	0.769	S	S	*	*			cis	-177.8	-162	-9.2	0	0	0	0	0	109.2
15	V	28.1	Very low	28.4	Very low	132 Å²	132	145.7 Å²	145.7	80%	0.8	78%	0.775	S	S	*	*			trans	77.2	124.3	167.6	-171.7	0	0	0	0	113.6
16	S	27.3	Very low	28.4	Very low	95 Å²	95	144.1 Å²	144.1	66%	0.664	78%	0.779	S	S	*	*			cis	116.2	157.3	16.2	78.2	0	0	0	0	113
17	D	27.7	Very low	28.2	Very low	165 Å²	165	145.2 Å²	145.2	88%	0.882	79%	0.785	S	S	*	*			trans	68.7	152.9	-173.9	-60.3	-33.6	0	0	0	117.3
18	G	25.5	Very low	28.1	Very low	66 Å²	66	146.5 Å²	146.5	68%	0.68	80%	0.796	S	S	*	*			cis	159.5	124.8	-9.1	0	0	0	0	0	114.5
19	N	27.1	Very low	27.9	Very low	162 Å²	162	148.5 Å²	148.5	87%	0.866	80%	0.799	S	S	*	*			trans	65.4	124.4	153.9	-95.1	-33.8	0	0	0	123.6
20	R	27.7	Very low	27.8	Very low	221 Å²	221	151.1 Å²	151.1	83%	0.834	80%	0.801	S	S	*	*				86.3	107.8	120.2	-165.5	-167	-135.6	-167.6	7.3	122.7
21	A	28.5	Very low	28.4	Very low	97 Å²	97	153 Å²	153	80%	0.802	80%	0.802	S	S	*	*			trans	-170.5	121	135.4	0	0	0	0	0	108.3
22	R	28.2	Very low	28.3	Very low	198 Å²	198	156.7 Å²	156.7	75%	0.747	81%	0.806	S	S	*	*				67.2	106.3	59	-93.1	-163.5	-179.5	-172.8	2.4	117.4
23	R	28.1	Very low	28.1	Very low	209 Å²	209	152.9 Å²	152.9	79%	0.789	80%	0.8	S	S	*	*			trans	64	128.6	148.4	-61.1	-177.8	178.8	-179.9	-2.3	119.4
24	Y	25.7	Very low	28	Very low	230 Å²	230	146.9 Å²	146.9	90%	0.902	80%	0.8	S	S	*	*				-163.4	136.2	115.6	-111.6	-77.5	0	0	0	110.7
25	C	24.8	Very low	27.8	Very low	117 Å²	117	146.6 Å²	146.6	79%	0.791	80%	0.804	S	S	*	*			trans	-115.5	145.6	162.4	-66.6	0	0	0	0	107.7
26	P	32.5	Very low	27.7	Very low	122 Å²	122	146.4 Å²	146.4	79%	0.792	81%	0.809	S	S	*	*			trans	-102.4	128	165.5	33.6	-25.2	0	0	0	111.6
27	D	28	Very low	27.5	Very low	163 Å²	163	146.3 Å²	146.3	87%	0.872	81%	0.814	S	S	*	*			trans	-73.4	149.8	162.4	-77.7	-54.9	0	0	0	110.7
28	L	28.2	Very low	27.5	Very low	171 Å²	171	145.3 Å²	145.3	90%	0.895	81%	0.814	S	S	*	*			trans	-133.9	113.5	165.5	-105.3	139.4	0	0	0	109.8
29	K	25.4	Very low	27.5	Very low	187 Å²	187	147.5 Å²	147.5	81%	0.813	81%	0.814	S	S	*	*			trans	-103.9	142.7	165.6	-70.7	-179.8	177.2	177.4	0	108.7
30	H	27.7	Very low	27.3	Very low	189 Å²	189	149.6 Å²	149.6	88%	0.875	82%	0.816	S	S	*	*				-164.7	153.2	127.8	-100.5	-68.6	0	0	0	110.6
31	P	40.3	Very low	27.1	Very low	106 Å²	106	144 Å²	144	69%	0.688	81%	0.809	S	S	*	*			trans	-104.1	178.8	-173.5	41	-34.7	0	0	0	113
32	I	27.1	Very low	27	Very low	170 Å²	170	145.3 Å²	145.3	87%	0.872	81%	0.812	S	S	*	*			trans	-174.7	159.3	137.4	-95.6	152.8	0	0	0	112.7
33	S	25.6	Very low	26.9	Very low	98 Å²	98	140.8 Å²	140.8	69%	0.685	82%	0.817	S	S	*	*			trans	-54.4	143.7	-162	56.9	0	0	0	0	123.7
34	A	27	Very low	26.7	Very low	107 Å²	107	137.2 Å²	137.2	88%	0.884	82%	0.819	S	S	*	*				40.1	136.4	122.7	0	0	0	0	0	123.4
35	G	24.4	Very low	26.7	Very low	73 Å²	73	135.3 Å²	135.3	75%	0.753	82%	0.818	S	S	*	*			trans	-164.6	101.6	165.5	0	0	0	0	0	114.6
36	S	25.8	Very low	27	Very low	129 Å²	129	135.3 Å²	135.3	90%	0.902	82%	0.817	S	S	*	*			trans	39.8	127.2	152.7	-54.8	0	0	0	0	123
37	A	23.4	Very low	26.8	Very low	93 Å²	93	134.2 Å²	134.2	77%	0.769	82%	0.817	S	S	*	*			trans	-88.2	157.4	165.7	0	0	0	0	0	112.8
38	V	26.8	Very low	26.8	Very low	144 Å²	144	130.9 Å²	130.9	87%	0.873	81%	0.812	S	S	*	*			trans	-130.1	126.4	162.1	178.9	0	0	0	0	108.5
39	T	24.5	Very low	26.8	Very low	111 Å²	111	127.7 Å²	127.7	68%	0.681	81%	0.811	S	S	*	*			trans	-106.1	136.1	-177.6	-51.7	0	0	0	0	110
40	F	24.3	Very low	27.1	Very low	207 Å²	207	124.5 Å²	124.5	91%	0.908	81%	0.807	S	S	*	*			trans	-145	145.2	151.2	-111.8	-80.7	0	0	0	111.2
41	C	23.8	Very low	27.4	Very low	104 Å²	104	120.4 Å²	120.4	70%	0.703	81%	0.806	S	S	*	*			trans	-95.1	157.9	-157.5	-54.4	0	0	0	0	114.7
42	S	24.8	Very low	27.3	Very low	123 Å²	123	125.7 Å²	125.7	86%	0.86	81%	0.812	S	S	*	*			trans	-154.4	127.4	133.9	-88.4	0	0	0	0	113.8
43	A	26.6	Very low	27.7	Very low	104 Å²	104	121.9 Å²	121.9	86%	0.86	80%	0.801	S	S	*	*			trans	16.6	116.4	161.6	0	0	0	0	0	120.6
44	T	24.7	Very low	28.5	Very low	134 Å²	134	125.3 Å²	125.3	82%	0.822	81%	0.806	S	S	*	*			trans	-94	144.7	162.2	39.7	0	0	0	0	112
45	H	25.9	Very low	29.7	Very low	189 Å²	189	128.3 Å²	128.3	88%	0.875	81%	0.807	S	S	*	*			trans	-129.9	147.4	142.4	-98.8	-70.2	0	0	0	108.3
46	P	29.4	Very low	31.4	Very low	118 Å²	118	131.4 Å²	131.4	77%	0.766	81%	0.805	S	S	*	*			trans	-91.2	122.1	-151.4	32.9	-34.5	0	0	0	113.9
47	A	28.2	Very low	33.9	Very low	98 Å²	98	128.4 Å²	128.4	81%	0.81	79%	0.788	S	S	*	*			trans	-90.4	117.1	154	0	0	0	0	0	108.3	A49	A47-A49 PolarHBondContact O-N 3.2Å; A47-A49 VanDerWaalsContact O-N 3.07Å
48	A	28.5	Very low	37	Very low	93 Å²	93	124.9 Å²	124.9	77%	0.769	76%	0.756	S	S	*	*			trans	-71.2	102.8	-177.3	0	0	0	0	0	111.2	T50	A48-T50 PolarHBondContact O-N 2.9Å
49	A	29.2	Very low	40.1	Very low	104 Å²	104	121.9 Å²	121.9	86%	0.86	73%	0.732	S	S	*	*			trans	-76.2	87.6	171	0	0	0	0	0	110.6	A47 A51	A47-A49 PolarHBondContact O-N 3.2Å; A47-A49 VanDerWaalsContact O-N 3.07Å; A49-A51 PolarHBondContact O-N 3.18Å
50	T	31.4	Very low	43.3	Very low	121 Å²	121	116.6 Å²	116.6	74%	0.742	70%	0.7	S	S	*	*			trans	-77	109.8	165.8	45.6	0	0	0	0	110	A48 R52	A48-T50 PolarHBondContact O-N 2.9Å; T50-R52 PolarHBondContact O-N 2.64Å
51	A	34	Very low	46.5	Very low	103 Å²	103	109.9 Å²	109.9	85%	0.851	67%	0.669	S	S	*	*			trans	-58.2	122.3	170.7	0	0	0	0	0	110.3	A49	A49-A51 PolarHBondContact O-N 3.18Å
52	R	37.8	Very low	49.5	Very low	216 Å²	216	105.2 Å²	105.2	82%	0.815	64%	0.637	S	S	*	*			trans	-85	127.5	172.4	-77.7	-170.3	175.8	-162	-2	110.2	T50	T50-R52 PolarHBondContact O-N 2.64Å
53	S	36.2	Very low	52.4	Low	90 Å²	90	102.6 Å²	102.6	63%	0.629	61%	0.614	S	S	*	*			trans	-109.9	145.2	179.5	175.5	0	0	0	0	109.6
54	H	41.4	Very low	54.9	Low	171 Å²	171	109 Å²	109	79%	0.792	62%	0.616	S	S	*	*	S	Bend	trans	64.8	135	178.2	-67.1	-72.4	0	0	0	118.5	I56	H54-I56 PolarHBondContact O-N 2.82Å; H54-I56 VanDerWaalsContact O-N 3.07Å
55	N	52.4	Low	57.6	Low	170 Å²	170	104.8 Å²	104.8	91%	0.909	59%	0.591	S	S	*	*			trans	-62.6	102.3	166.4	-75.1	-31.4	0	0	0	109.8
56	I	60.1	Low	59.2	Low	138 Å²	138	102.2 Å²	102.2	71%	0.708	59%	0.594	S	S	*	*			trans	-106.2	121.5	163.5	-59.5	177	0	0	0	106.1	H54 L58	H54-I56 PolarHBondContact O-N 2.82Å; H54-I56 VanDerWaalsContact O-N 3.07Å; I56-L58 PolarHBondContact O-N 3.1Å
57	A	78.1	Confident	60.6	Low	65 Å²	65	99.5 Å²	99.5	54%	0.537	58%	0.582	S	S	.	*			trans	-76.8	108.6	-178.2	0	0	0	0	0	109.1	T72 T73	A57-T72 HydrophobicContact CB-CG2 3.44Å; A57-T72 VanDerWaalsContact CB-CG2 3.44Å; A57-T73 CarbonylContact C-O 3.25Å
58	L	89.7	Confident	62.8	Low	19 Å²	19	102.3 Å²	102.3	10%	0.099	58%	0.583	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-69.2	128.6	-174.3	-176.2	72.9	0	0	0	110.6	I56 T72 T73	I56-L58 PolarHBondContact O-N 3.1Å; L58-T72 CarbonylContact O-C 3.59Å; L58-T72 VanDerWaalsContact O-CA 3.28Å; L58-T72 WeakPolarHBondContact O-CA 3.42Å; L58-T73 HydrophobicContact CB-CG2 4.13Å; L58-T73 WeakPolarHBondContact CB-O 3.22Å; L58-T73 HydrophobicContact CD2-CG2 4.09Å; L58-T73 HydrophobicContact CG-CG2 4.49Å; L58-T73 PolarHBondContact N-O 3.4Å; L58-T73 PolarHBondContact O-N 2.8Å
59	Q	91.4	Very high	65.4	Low	82 Å²	82	100.2 Å²	100.2	38%	0.383	56%	0.563	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-93.1	130.9	174.9	-64.3	-169	-2.5	0	0	111	C71 D128 Y129	Q59-C71 WeakPolarHBondContact CA-O 3.44Å; Q59-D128 PolarHBondContact N-OD1 3.06Å; Q59-D128 CarbonylContact O-C 3.59Å; Q59-D128 WeakPolarHBondContact O-CA 3.38Å; Q59-Y129 HydrophobicContact CB-CD2 4.35Å; Q59-Y129 HydrophobicContact CB-CE2 3.68Å; Q59-Y129 PolarHBondContact O-N 2.58Å; Q59-Y129 VanDerWaalsContact OE1-CE2 3.27Å; Q59-Y129 PolarHBondContact OE1-OH 2.88Å
60	C	91.9	Very high	68.3	Low	0 Å²	0	96.9 Å²	96.9	0%	0	53%	0.534	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	155.2	177.7	-50.1	0	0	0	0	110.9	S70 C71 C77 C95	C60-S70 CarbonylContact O-C 3.54Å; C60-S70 VanDerWaalsContact O-CA 3.24Å; C60-S70 WeakPolarHBondContact O-CA 3.43Å; C60-C71 PolarHBondContact N-O 3.07Å; C60-C71 PolarHBondContact O-N 3.1Å; C60-C77 VanDerWaalsContact CA-SG 3.54Å; C60-C77 HydrophobicContact CB-CB 3.62Å; C60-C77 WeakPolarHBondContact CB-SG 3.22Å; C60-C77 WeakPolarHBondContact SG-CA 3.37Å; C60-C77 WeakPolarHBondContact SG-CB 3.38Å; C60-C77 CovalentContact SG-SG 2.03Å; C60-C77 PolarHBondContact SG-SG 3.46Å; C60-C95 VanDerWaalsContact CB-SG 3.58Å
61	Y	90.4	Very high	71.1	Confident	65 Å²	65	92.1 Å²	92.1	26%	0.255	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	144	166.7	-164.3	-82.9	0	0	0	110.1	D63 S69 R93 N131 K132	Y61-D63 WeakPolarHBondContact CE1-OD1 3.35Å; Y61-S69 WeakPolarHBondContact CA-O 3.46Å; Y61-R93 HydrophobicContact CD1-CB 4.38Å; Y61-N131 WeakPolarHBondContact CB-OD1 3.5Å; Y61-N131 PolarHBondContact N-OD1 2.62Å; Y61-N131 PolarHBondContact O-ND2 3.43Å; Y61-K132 HydrophobicContact CD2-CB 4.31Å; Y61-K132 HydrophobicContact CD2-CD 4Å; Y61-K132 HydrophobicContact CD2-CG 3.79Å; Y61-K132 HydrophobicContact CE2-CD 4.47Å; Y61-K132 HydrophobicContact CE2-CG 4.31Å; Y61-K132 HydrophobicContact CG-CB 4.27Å; Y61-K132 HydrophobicContact CG-CG 4.13Å
62	C	88.1	Confident	73.8	Confident	6 Å²	6	90.9 Å²	90.9	4%	0.041	49%	0.487	C	S	.	.			trans	-145.7	122.1	-177	173.5	0	0	0	0	111.5	R64 C65 S69 C71 R93	C62-R64 VanDerWaalsContact C-N 3.25Å; C62-R64 PolarHBondContact O-N 3.44Å; C62-C65 HydrophobicContact CB-CB 3.61Å; C62-C65 WeakPolarHBondContact CB-SG 3.44Å; C62-C65 WeakPolarHBondContact SG-CB 3.43Å; C62-C65 PolarHBondContact SG-N 3.08Å; C62-C65 CovalentContact SG-SG 2.03Å; C62-C65 PolarHBondContact SG-SG 3.18Å; C62-S69 PolarHBondContact N-O 3.39Å; C62-S69 CarbonylContact O-C 3.51Å; C62-S69 WeakPolarHBondContact O-CA 3.35Å; C62-C71 HydrophobicContact CB-CB 4.19Å; C62-R93 WeakPolarHBondContact CA-O 3.42Å
63	D	84.6	Confident	76.2	Confident	68 Å²	68	80.8 Å²	80.8	36%	0.364	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-12.9	-173.9	-52	-50.6	0	0	0	113.5	Y61 Q92 R93	Y61-D63 WeakPolarHBondContact CE1-OD1 3.35Å; D63-Q92 WeakPolarHBondContact OD2-CA 3.48Å; D63-R93 PolarHBondContact N-O 2.96Å; D63-R93 IonicContact OD1-NH1 2.65Å; D63-R93 PolarHBondContact OD1-NH1 3.14Å; D63-R93 VanDerWaalsContact OD1-NH1 3.14Å; D63-R93 WeakPolarHBondContact OD2-CB 3.2Å; D63-R93 PolarHBondContact OD2-N 3.33Å; D63-R93 IonicContact OD2-NH1 3.82Å
64	R	79.6	Confident	78.8	Confident	240 Å²	240	81.3 Å²	81.3	91%	0.906	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-131.9	19.1	-175	-62.5	-169.4	-179.6	-163.2	1.4	114.8	C62	C62-R64 VanDerWaalsContact C-N 3.25Å; C62-R64 PolarHBondContact O-N 3.44Å
65	C	80.1	Confident	81.2	Confident	44 Å²	44	73.9 Å²	73.9	30%	0.297	41%	0.414	S	S	.	.			trans	-93.5	138.2	-178.2	-68	0	0	0	0	112.3	C62 A67	C62-C65 HydrophobicContact CB-CB 3.61Å; C62-C65 WeakPolarHBondContact CB-SG 3.44Å; C62-C65 WeakPolarHBondContact SG-CB 3.43Å; C62-C65 PolarHBondContact SG-N 3.08Å; C62-C65 CovalentContact SG-SG 2.03Å; C62-C65 PolarHBondContact SG-SG 3.18Å; C65-A67 PolarHBondContact O-N 3.49Å
66	S	60	Low	83	Confident	136 Å²	136	66.6 Å²	66.6	95%	0.951	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	7.4	-165.1	-47.2	0	0	0	0	116.8
67	A	59.7	Low	84.5	Confident	61 Å²	61	60 Å²	60	50%	0.504	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.7	122.4	174.2	0	0	0	0	0	110.4	C65 S69 S70	C65-A67 PolarHBondContact O-N 3.49Å; A67-S69 PolarHBondContact O-N 3.47Å; A67-S70 PolarHBondContact O-N 3.4Å
68	N	73.4	Confident	85.2	Confident	157 Å²	157	57.6 Å²	57.6	84%	0.84	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	19.7	168.8	-60.6	-7.6	0	0	0	117.7	S70	N68-S70 PolarHBondContact O-N 2.93Å
69	S	84.6	Confident	85.2	Confident	49 Å²	49	56.8 Å²	56.8	34%	0.343	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.8	29.1	-175.2	-44.6	0	0	0	0	114.1	Y61 C62 A67	Y61-S69 WeakPolarHBondContact CA-O 3.46Å; C62-S69 PolarHBondContact N-O 3.39Å; C62-S69 CarbonylContact O-C 3.51Å; C62-S69 WeakPolarHBondContact O-CA 3.35Å; A67-S69 PolarHBondContact O-N 3.47Å
70	S	88.8	Confident	85	Confident	34 Å²	34	53.3 Å²	53.3	24%	0.238	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	158.5	177.1	62.9	0	0	0	0	111.9	C60 A67 N68	C60-S70 CarbonylContact O-C 3.54Å; C60-S70 VanDerWaalsContact O-CA 3.24Å; C60-S70 WeakPolarHBondContact O-CA 3.43Å; A67-S70 PolarHBondContact O-N 3.4Å; N68-S70 PolarHBondContact O-N 2.93Å
71	C	90.1	Very high	84.6	Confident	21 Å²	21	53.4 Å²	53.4	14%	0.142	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	165.9	172.8	60	0	0	0	0	109.9	Q59 C60 C62 C95	Q59-C71 WeakPolarHBondContact CA-O 3.44Å; C60-C71 PolarHBondContact N-O 3.07Å; C60-C71 PolarHBondContact O-N 3.1Å; C62-C71 HydrophobicContact CB-CB 4.19Å; C71-C95 HydrophobicContact CB-CB 4.03Å; C71-C95 WeakPolarHBondContact CB-SG 3.46Å; C71-C95 PolarHBondContact O-SG 3.16Å; C71-C95 WeakPolarHBondContact SG-CB 3.36Å; C71-C95 PolarHBondContact SG-N 2.77Å; C71-C95 CovalentContact SG-SG 2.04Å; C71-C95 PolarHBondContact SG-SG 2.68Å
72	T	90.6	Very high	84	Confident	76 Å²	76	54.2 Å²	54.2	47%	0.466	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	136.7	-178.7	-49.5	0	0	0	0	110	A57 L58	A57-T72 HydrophobicContact CB-CG2 3.44Å; A57-T72 VanDerWaalsContact CB-CG2 3.44Å; L58-T72 CarbonylContact O-C 3.59Å; L58-T72 VanDerWaalsContact O-CA 3.28Å; L58-T72 WeakPolarHBondContact O-CA 3.42Å
73	T	89.4	Confident	83.1	Confident	5 Å²	5	58.8 Å²	58.8	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	162.2	-177.4	-167	0	0	0	0	113.6	A57 L58 G75 C95 I96 H97	A57-T73 CarbonylContact C-O 3.25Å; L58-T73 HydrophobicContact CB-CG2 4.13Å; L58-T73 WeakPolarHBondContact CB-O 3.22Å; L58-T73 HydrophobicContact CD2-CG2 4.09Å; L58-T73 HydrophobicContact CG-CG2 4.49Å; L58-T73 PolarHBondContact N-O 3.4Å; L58-T73 PolarHBondContact O-N 2.8Å; T73-G75 PolarHBondContact OG1-N 3.14Å; T73-C95 HydrophobicContact CG2-CB 4.11Å; T73-I96 PolarHBondContact OG1-O 3.42Å; T73-I96 VanDerWaalsContact OG1-O 3.06Å; T73-H97 WeakPolarHBondContact OG1-CA 3.37Å; T73-H97 PolarHBondContact OG1-ND1 3.32Å
74	D	90.2	Very high	82.1	Confident	101 Å²	101	59 Å²	59	54%	0.54	33%	0.33	S	S	.	.	S	Bend	trans	-96.3	-11.8	170.3	57.7	-18.8	0	0	0	112.8	H97 D98	D74-H97 WeakPolarHBondContact OD1-CA 3.42Å; D74-H97 WeakPolarHBondContact OD1-CB 3.46Å; D74-H97 IonicContact OD1-CE1 2.79Å; D74-H97 IonicContact OD1-CG 3.14Å; D74-H97 IonicContact OD1-ND1 3.57Å; D74-H97 PolarHBondContact OD1-ND1 3.49Å; D74-D98 PolarHBondContact OD1-N 3.08Å
75	G	91.1	Very high	81.5	Confident	14 Å²	14	50.7 Å²	50.7	14%	0.144	32%	0.318	C	S	.	.	S	Bend	trans	-97.9	-107	178	0	0	0	0	0	113.4	T73 I96	T73-G75 PolarHBondContact OG1-N 3.14Å; G75-I96 CarbonylContact C-O 3.59Å; G75-I96 VanDerWaalsContact CA-O 3.3Å; G75-I96 WeakPolarHBondContact CA-O 3.35Å
76	V	91.4	Very high	80.6	Confident	17 Å²	17	54.4 Å²	54.4	10%	0.103	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	155.8	-171.8	-59.9	0	0	0	0	112.8	I96 L101 C124	V76-I96 HydrophobicContact CG2-CB 4.1Å; V76-I96 PolarHBondContact N-O 2.96Å; V76-I96 PolarHBondContact O-N 3.38Å; V76-L101 HydrophobicContact CG1-CD1 4.34Å; V76-L101 HydrophobicContact CG2-CD2 3.92Å; V76-C124 HydrophobicContact CB-CB 4.29Å; V76-C124 HydrophobicContact CG2-CB 3.85Å
77	C	92.1	Very high	80.6	Confident	0 Å²	0	54.4 Å²	54.4	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	134.6	168.6	-54.4	0	0	0	0	110.1	C60 C124 C125 N131	C60-C77 VanDerWaalsContact CA-SG 3.54Å; C60-C77 HydrophobicContact CB-CB 3.62Å; C60-C77 WeakPolarHBondContact CB-SG 3.22Å; C60-C77 WeakPolarHBondContact SG-CA 3.37Å; C60-C77 WeakPolarHBondContact SG-CB 3.38Å; C60-C77 CovalentContact SG-SG 2.03Å; C60-C77 PolarHBondContact SG-SG 3.46Å; C77-C124 CarbonylContact O-C 3.57Å; C77-C124 VanDerWaalsContact O-CA 3.23Å; C77-C124 WeakPolarHBondContact O-CA 3.42Å; C77-C125 PolarHBondContact N-O 2.83Å; C77-C125 PolarHBondContact O-N 3.37Å; C77-N131 HydrophobicContact CB-CB 3.88Å
78	F	92.5	Very high	81	Confident	15 Å²	15	54.3 Å²	54.3	7%	0.066	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	144.8	179.9	169.8	-89.1	0	0	0	112	A80 Q92 R93 Q94 I96 V109 P122 M123 N131	F78-A80 HydrophobicContact CE1-CB 3.9Å; F78-A80 HydrophobicContact CZ-CB 3.79Å; F78-Q92 HydrophobicContact CE1-CG 4.4Å; F78-R93 WeakPolarHBondContact O-CA 3.33Å; F78-Q94 HydrophobicContact CB-CG 4.26Å; F78-Q94 HydrophobicContact CD1-CG 3.93Å; F78-Q94 HydrophobicContact CG-CG 4.43Å; F78-Q94 PolarHBondContact N-O 3.35Å; F78-Q94 PolarHBondContact O-N 3.19Å; F78-I96 HydrophobicContact CB-CD1 4.24Å; F78-I96 HydrophobicContact CB-CG1 3.68Å; F78-I96 HydrophobicContact CG-CG1 4.42Å; F78-V109 HydrophobicContact CD2-CG2 3.87Å; F78-V109 HydrophobicContact CE2-CG2 3.83Å; F78-V109 WeakPolarHBondContact CE2-O 3.39Å; F78-P122 HydrophobicContact CE2-CB 3.75Å; F78-P122 HydrophobicContact CZ-CB 4.27Å; F78-M123 WeakPolarHBondContact CA-O 3.5Å; F78-N131 PolarHBondContact O-ND2 2.61Å
79	V	89.7	Confident	81	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.012	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	137.5	164.3	60.3	0	0	0	0	111.2	I81 Q92 R93 M123 N131 P134	V79-I81 HydrophobicContact CG2-CG1 4.09Å; V79-Q92 CarbonylContact C-O 3.58Å; V79-Q92 VanDerWaalsContact CA-O 3.31Å; V79-Q92 WeakPolarHBondContact CA-O 3.44Å; V79-R93 HydrophobicContact CB-CG 4.31Å; V79-R93 HydrophobicContact CG2-CG 3.96Å; V79-M123 HydrophobicContact CG1-CB 4.1Å; V79-M123 HydrophobicContact CG1-CE 4.15Å; V79-M123 PolarHBondContact N-O 2.79Å; V79-M123 PolarHBondContact O-N 3.48Å; V79-N131 HydrophobicContact CB-CB 4.15Å; V79-N131 HydrophobicContact CG1-CB 4.44Å; V79-P134 HydrophobicContact CG1-CB 4.27Å; V79-P134 HydrophobicContact CG1-CG 4.27Å
80	A	87.4	Confident	80.5	Confident	8 Å²	8	50.7 Å²	50.7	7%	0.066	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.8	166.7	0	0	0	0	0	110.1	F78 S90 E91 Q92 I120	F78-A80 HydrophobicContact CE1-CB 3.9Å; F78-A80 HydrophobicContact CZ-CB 3.79Å; A80-S90 CarbonylContact O-C 3.47Å; A80-S90 WeakPolarHBondContact O-CA 3.28Å; A80-E91 PolarHBondContact O-N 2.74Å; A80-Q92 HydrophobicContact CB-CB 4.42Å; A80-Q92 PolarHBondContact N-O 3.5Å; A80-I120 HydrophobicContact CB-CG2 4Å
81	I	82.3	Confident	80	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.01	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.5	-178.9	-60.2	166.6	0	0	0	109.5	V79 Q88 I89 I120 F121 M123 P134 F136	V79-I81 HydrophobicContact CG2-CG1 4.09Å; I81-Q88 HydrophobicContact CG2-CB 3.87Å; I81-I89 CarbonylContact C-O 3.44Å; I81-I89 WeakPolarHBondContact CA-O 3.41Å; I81-I120 CarbonylContact O-C 3.57Å; I81-I120 WeakPolarHBondContact O-CA 3.48Å; I81-F121 PolarHBondContact N-O 2.92Å; I81-F121 PolarHBondContact O-N 3.01Å; I81-M123 HydrophobicContact CD1-CE 3.48Å; I81-M123 VanDerWaalsContact CD1-CE 3.48Å; I81-M123 HydrophobicContact CD1-SD 4.26Å; I81-P134 HydrophobicContact CD1-CG 4.05Å; I81-F136 HydrophobicContact CD1-CD1 3.97Å; I81-F136 HydrophobicContact CD1-CE1 3.83Å; I81-F136 HydrophobicContact CG2-CE1 4.29Å
82	R	79.4	Confident	79.8	Confident	83 Å²	83	57 Å²	57	31%	0.313	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	131.6	166.9	-175.8	-178.1	-61.6	-72	-12.6	110.5	I89 E91 T118 G119	R82-I89 PolarHBondContact N-O 3.48Å; R82-I89 PolarHBondContact O-N 3.18Å; R82-E91 HydrophobicContact CB-CG 3.9Å; R82-E91 IonicContact CZ-OE1 3.05Å; R82-E91 IonicContact CZ-OE2 2.66Å; R82-E91 VanDerWaalsContact NE-CD 3.29Å; R82-E91 IonicContact NE-OE1 3.32Å; R82-E91 PolarHBondContact NE-OE1 2.87Å; R82-E91 IonicContact NE-OE2 2.8Å; R82-E91 PolarHBondContact NE-OE2 2.9Å; R82-E91 VanDerWaalsContact NH2-CD 3.31Å; R82-E91 IonicContact NH2-OE1 3.77Å; R82-E91 PolarHBondContact NH2-OE1 2.93Å; R82-E91 IonicContact NH2-OE2 3.75Å; R82-E91 PolarHBondContact NH2-OE2 3.07Å; R82-T118 PolarHBondContact NH1-O 3.33Å; R82-G119 WeakPolarHBondContact CA-O 3.5Å
83	K	69.1	Low	79.8	Confident	102 Å²	102	55.3 Å²	55.3	44%	0.443	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	123.9	167.2	-170.5	175.6	-178.6	179.6	0	109.7	G85 G119 F121	K83-G85 WeakPolarHBondContact CE-O 3.44Å; K83-G119 PolarHBondContact N-O 2.79Å; K83-G119 VanDerWaalsContact N-O 3.1Å; K83-F121 HydrophobicContact CB-CE2 4.19Å
84	S	63.7	Low	79.9	Confident	73 Å²	73	58 Å²	58	51%	0.51	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	95.6	175.6	-167.6	0	0	0	0	109	S86 Q87	S84-S86 PolarHBondContact O-N 2.95Å; S84-Q87 PolarHBondContact N-O 3.08Å; S84-Q87 PolarHBondContact O-N 2.75Å; S84-Q87 VanDerWaalsContact O-N 3.14Å
85	G	66.8	Low	80	Confident	64 Å²	64	54.1 Å²	54.1	66%	0.66	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	-122.1	-170.6	0	0	0	0	0	111.9	K83	K83-G85 WeakPolarHBondContact CE-O 3.44Å
86	S	59.5	Low	79.9	Confident	122 Å²	122	53.8 Å²	53.8	85%	0.853	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.2	176.9	53.4	0	0	0	0	114.3	S84	S84-S86 PolarHBondContact O-N 2.95Å
87	Q	60.3	Low	79.9	Confident	137 Å²	137	56.4 Å²	56.4	64%	0.64	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	141.2	178	-76.4	-177.4	-26.6	0	0	111.6	S84	S84-Q87 PolarHBondContact N-O 3.08Å; S84-Q87 PolarHBondContact O-N 2.75Å; S84-Q87 VanDerWaalsContact O-N 3.14Å
88	Q	67.9	Low	79.6	Confident	59 Å²	59	58.9 Å²	58.9	28%	0.276	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	125.5	172.2	-60.5	-165.6	48.5	0	0	108.5	I81 F136	I81-Q88 HydrophobicContact CG2-CB 3.87Å; Q88-F136 HydrophobicContact CB-CD1 4.07Å; Q88-F136 HydrophobicContact CB-CE1 3.68Å; Q88-F136 HydrophobicContact CB-CZ 4.17Å; Q88-F136 HydrophobicContact CG-CD1 4.42Å
89	I	73.2	Confident	79.2	Confident	90 Å²	90	62.4 Å²	62.4	46%	0.462	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	124.8	-175	-56.1	175.7	0	0	0	108.7	I81 R82 E91	I81-I89 CarbonylContact C-O 3.44Å; I81-I89 WeakPolarHBondContact CA-O 3.41Å; R82-I89 PolarHBondContact N-O 3.48Å; R82-I89 PolarHBondContact O-N 3.18Å; I89-E91 PolarHBondContact O-N 2.82Å
90	S	75.4	Confident	78.9	Confident	40 Å²	40	67.2 Å²	67.2	28%	0.28	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	120.8	171.5	55.5	0	0	0	0	110.7	A80 R93	A80-S90 CarbonylContact O-C 3.47Å; A80-S90 WeakPolarHBondContact O-CA 3.28Å; S90-R93 VanDerWaalsContact OG-CZ 3.3Å; S90-R93 PolarHBondContact OG-NH1 2.69Å; S90-R93 PolarHBondContact OG-NH2 3.32Å
91	E	77.4	Confident	78.8	Confident	96 Å²	96	67.6 Å²	67.6	45%	0.449	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	-33.3	177.5	-67.1	-160	129	0	0	113.6	A80 R82 I89	A80-E91 PolarHBondContact O-N 2.74Å; R82-E91 HydrophobicContact CB-CG 3.9Å; R82-E91 IonicContact CZ-OE1 3.05Å; R82-E91 IonicContact CZ-OE2 2.66Å; R82-E91 VanDerWaalsContact NE-CD 3.29Å; R82-E91 IonicContact NE-OE1 3.32Å; R82-E91 PolarHBondContact NE-OE1 2.87Å; R82-E91 IonicContact NE-OE2 2.8Å; R82-E91 PolarHBondContact NE-OE2 2.9Å; R82-E91 VanDerWaalsContact NH2-CD 3.31Å; R82-E91 IonicContact NH2-OE1 3.77Å; R82-E91 PolarHBondContact NH2-OE1 2.93Å; R82-E91 IonicContact NH2-OE2 3.75Å; R82-E91 PolarHBondContact NH2-OE2 3.07Å; I89-E91 PolarHBondContact O-N 2.82Å
92	Q	85.8	Confident	78.6	Confident	90 Å²	90	72.9 Å²	72.9	42%	0.421	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	133.9	-175	-179.1	174.9	-3.6	0	0	111.8	D63 F78 V79 A80	D63-Q92 WeakPolarHBondContact OD2-CA 3.48Å; F78-Q92 HydrophobicContact CE1-CG 4.4Å; V79-Q92 CarbonylContact C-O 3.58Å; V79-Q92 VanDerWaalsContact CA-O 3.31Å; V79-Q92 WeakPolarHBondContact CA-O 3.44Å; A80-Q92 HydrophobicContact CB-CB 4.42Å; A80-Q92 PolarHBondContact N-O 3.5Å
93	R	90.2	Very high	78.5	Confident	42 Å²	42	71.6 Å²	71.6	16%	0.158	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	136	172.2	-61.3	173.6	-177.7	87.9	-2.6	110.7	Y61 C62 D63 F78 V79 S90 N131 K132	Y61-R93 HydrophobicContact CD1-CB 4.38Å; C62-R93 WeakPolarHBondContact CA-O 3.42Å; D63-R93 PolarHBondContact N-O 2.96Å; D63-R93 IonicContact OD1-NH1 2.65Å; D63-R93 PolarHBondContact OD1-NH1 3.14Å; D63-R93 VanDerWaalsContact OD1-NH1 3.14Å; D63-R93 WeakPolarHBondContact OD2-CB 3.2Å; D63-R93 PolarHBondContact OD2-N 3.33Å; D63-R93 IonicContact OD2-NH1 3.82Å; F78-R93 WeakPolarHBondContact O-CA 3.33Å; V79-R93 HydrophobicContact CB-CG 4.31Å; V79-R93 HydrophobicContact CG2-CG 3.96Å; S90-R93 VanDerWaalsContact OG-CZ 3.3Å; S90-R93 PolarHBondContact OG-NH1 2.69Å; S90-R93 PolarHBondContact OG-NH2 3.32Å; R93-N131 VanDerWaalsContact CD-O 3.22Å; R93-N131 WeakPolarHBondContact CD-O 3.15Å; R93-N131 PolarHBondContact NE-O 3.42Å; R93-K132 PolarHBondContact NE-O 3.39Å; R93-K132 PolarHBondContact NH2-O 3.05Å
94	Q	91.9	Very high	78.7	Confident	62 Å²	62	73.7 Å²	73.7	29%	0.29	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-159.8	170.3	176.3	67.6	-162.7	10.6	0	0	112.2	F78 I96	F78-Q94 HydrophobicContact CB-CG 4.26Å; F78-Q94 HydrophobicContact CD1-CG 3.93Å; F78-Q94 HydrophobicContact CG-CG 4.43Å; F78-Q94 PolarHBondContact N-O 3.35Å; F78-Q94 PolarHBondContact O-N 3.19Å; Q94-I96 HydrophobicContact CG-CD1 3.99Å
95	C	91.9	Very high	79.1	Confident	19 Å²	19	78 Å²	78	13%	0.128	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	146.6	165.3	-73.8	0	0	0	0	110.7	C60 C71 T73	C60-C95 VanDerWaalsContact CB-SG 3.58Å; C71-C95 HydrophobicContact CB-CB 4.03Å; C71-C95 WeakPolarHBondContact CB-SG 3.46Å; C71-C95 PolarHBondContact O-SG 3.16Å; C71-C95 WeakPolarHBondContact SG-CB 3.36Å; C71-C95 PolarHBondContact SG-N 2.77Å; C71-C95 CovalentContact SG-SG 2.04Å; C71-C95 PolarHBondContact SG-SG 2.68Å; T73-C95 HydrophobicContact CG2-CB 4.11Å
96	I	91	Very high	79.6	Confident	6 Å²	6	84.3 Å²	84.3	3%	0.031	42%	0.424	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	121.3	169.6	-54.2	-66.5	0	0	0	108.2	T73 G75 V76 F78 Q94 E100 L101 V109	T73-I96 PolarHBondContact OG1-O 3.42Å; T73-I96 VanDerWaalsContact OG1-O 3.06Å; G75-I96 CarbonylContact C-O 3.59Å; G75-I96 VanDerWaalsContact CA-O 3.3Å; G75-I96 WeakPolarHBondContact CA-O 3.35Å; V76-I96 HydrophobicContact CG2-CB 4.1Å; V76-I96 PolarHBondContact N-O 2.96Å; V76-I96 PolarHBondContact O-N 3.38Å; F78-I96 HydrophobicContact CB-CD1 4.24Å; F78-I96 HydrophobicContact CB-CG1 3.68Å; F78-I96 HydrophobicContact CG-CG1 4.42Å; Q94-I96 HydrophobicContact CG-CD1 3.99Å; I96-E100 HydrophobicContact CG2-CB 3.83Å; I96-L101 HydrophobicContact CB-CD2 4.41Å; I96-L101 HydrophobicContact CG2-CD2 3.56Å; I96-L101 HydrophobicContact CG2-CG 4.4Å; I96-V109 HydrophobicContact CD1-CG2 4.25Å; I96-V109 HydrophobicContact CG2-CG1 4.31Å
97	H	89.9	Confident	80.7	Confident	73 Å²	73	79.5 Å²	79.5	34%	0.338	39%	0.389	S	S	.	.			trans	-74.3	155.2	179.4	-73.1	-75.5	0	0	0	113	T73 D74 S99 E100	T73-H97 WeakPolarHBondContact OG1-CA 3.37Å; T73-H97 PolarHBondContact OG1-ND1 3.32Å; D74-H97 WeakPolarHBondContact OD1-CA 3.42Å; D74-H97 WeakPolarHBondContact OD1-CB 3.46Å; D74-H97 IonicContact OD1-CE1 2.79Å; D74-H97 IonicContact OD1-CG 3.14Å; D74-H97 IonicContact OD1-ND1 3.57Å; D74-H97 PolarHBondContact OD1-ND1 3.49Å; H97-S99 PolarHBondContact O-N 2.97Å; H97-S99 VanDerWaalsContact O-N 3.17Å; H97-E100 IonicContact CD2-OE1 3.98Å; H97-E100 PolarHBondContact N-OE1 3.42Å; H97-E100 WeakPolarHBondContact O-CB 2.86Å; H97-E100 PolarHBondContact O-N 2.69Å
98	D	85.3	Confident	81.7	Confident	52 Å²	52	80.3 Å²	80.3	28%	0.278	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-60	-26	178.3	172.3	70.3	0	0	0	112.9	D74 E100 R104	D74-D98 PolarHBondContact OD1-N 3.08Å; D98-E100 VanDerWaalsContact C-N 3.28Å; D98-E100 PolarHBondContact O-N 3.12Å; D98-R104 VanDerWaalsContact CG-NH1 3.27Å; D98-R104 PolarHBondContact O-NH2 3.13Å; D98-R104 IonicContact OD1-CZ 3.57Å; D98-R104 IonicContact OD1-NH1 3.08Å; D98-R104 PolarHBondContact OD1-NH1 3.2Å; D98-R104 VanDerWaalsContact OD1-NH1 3.08Å; D98-R104 IonicContact OD1-NH2 3.81Å; D98-R104 IonicContact OD2-CZ 3.06Å; D98-R104 IonicContact OD2-NH1 2.69Å; D98-R104 PolarHBondContact OD2-NH1 2.99Å; D98-R104 IonicContact OD2-NH2 2.69Å; D98-R104 PolarHBondContact OD2-NH2 3.07Å
99	S	84.4	Confident	82.5	Confident	88 Å²	88	80 Å²	80	62%	0.615	39%	0.393	S	S	*	.	G	3₁₀ helix	trans	-67.8	-22	171.6	53.7	0	0	0	0	114.3	H97	H97-S99 PolarHBondContact O-N 2.97Å; H97-S99 VanDerWaalsContact O-N 3.17Å
100	E	84.1	Confident	82.9	Confident	104 Å²	104	77.2 Å²	77.2	49%	0.486	38%	0.382	S	S	.	.	G	3₁₀ helix	trans	-96.4	-8.5	-178.5	-62.3	176.6	-105.5	0	0	112.7	I96 H97 D98 I102	I96-E100 HydrophobicContact CG2-CB 3.83Å; H97-E100 IonicContact CD2-OE1 3.98Å; H97-E100 PolarHBondContact N-OE1 3.42Å; H97-E100 WeakPolarHBondContact O-CB 2.86Å; H97-E100 PolarHBondContact O-N 2.69Å; D98-E100 VanDerWaalsContact C-N 3.28Å; D98-E100 PolarHBondContact O-N 3.12Å; E100-I102 PolarHBondContact O-N 2.97Å
101	L	85.2	Confident	83	Confident	15 Å²	15	76.8 Å²	76.8	8%	0.079	38%	0.38	C	S	.	.			trans	-78.5	89.4	179.1	-59.7	-176.9	0	0	0	111.2	V76 I96 P103 R104 P107 V109	V76-L101 HydrophobicContact CG1-CD1 4.34Å; V76-L101 HydrophobicContact CG2-CD2 3.92Å; I96-L101 HydrophobicContact CB-CD2 4.41Å; I96-L101 HydrophobicContact CG2-CD2 3.56Å; I96-L101 HydrophobicContact CG2-CG 4.4Å; L101-P103 CarbonylContact O-C 3.35Å; L101-R104 VanDerWaalsContact O-CA 3.27Å; L101-R104 WeakPolarHBondContact O-CA 3.39Å; L101-R104 VanDerWaalsContact O-CG 3.29Å; L101-R104 WeakPolarHBondContact O-CG 3.47Å; L101-R104 PolarHBondContact O-N 3.07Å; L101-R104 VanDerWaalsContact O-N 3.09Å; L101-P107 HydrophobicContact CB-CB 3.99Å; L101-P107 HydrophobicContact CB-CG 4.42Å; L101-P107 HydrophobicContact CD2-CB 3.8Å; L101-P107 HydrophobicContact CD2-CG 3.97Å; L101-P107 HydrophobicContact CG-CB 4.46Å; L101-V109 HydrophobicContact CD2-CG1 4.39Å
102	I	77.9	Confident	82.6	Confident	114 Å²	114	76.6 Å²	76.6	59%	0.585	39%	0.388	S	S	*	.	S	Bend	trans	-116.7	124.7	-178.7	-54.7	177.4	0	0	0	110.5	E100 P107 F108	E100-I102 PolarHBondContact O-N 2.97Å; I102-P107 WeakPolarHBondContact O-CA 3.2Å; I102-F108 WeakPolarHBondContact O-CD2 3.44Å; I102-F108 PolarHBondContact O-N 2.73Å
103	P	78.3	Confident	81.3	Confident	56 Å²	56	77 Å²	77	36%	0.364	39%	0.393	S	S	.	.	S	Bend	cis	-66.3	150.8	-23.3	31.4	-36.1	0	0	0	111.1	L101 D105 R106 P107 F108	L101-P103 CarbonylContact O-C 3.35Å; P103-D105 VanDerWaalsContact C-N 3.29Å; P103-D105 PolarHBondContact O-N 3.11Å; P103-R106 WeakPolarHBondContact CD-O 3.3Å; P103-R106 WeakPolarHBondContact CG-O 3.36Å; P103-R106 CarbonylContact O-C 3.11Å; P103-R106 PolarHBondContact O-N 3.27Å; P103-P107 VanDerWaalsContact O-CA 3.23Å; P103-P107 WeakPolarHBondContact O-CA 3.48Å; P103-P107 WeakPolarHBondContact O-CD 3.25Å; P103-F108 VanDerWaalsContact CD-CE2 3.48Å
104	R	72.9	Confident	79.7	Confident	146 Å²	146	80.6 Å²	80.6	55%	0.551	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-39.2	-172.8	-72.3	176	169.8	-111.5	-16.8	114.3	D98 L101 R106	D98-R104 VanDerWaalsContact CG-NH1 3.27Å; D98-R104 PolarHBondContact O-NH2 3.13Å; D98-R104 IonicContact OD1-CZ 3.57Å; D98-R104 IonicContact OD1-NH1 3.08Å; D98-R104 PolarHBondContact OD1-NH1 3.2Å; D98-R104 VanDerWaalsContact OD1-NH1 3.08Å; D98-R104 IonicContact OD1-NH2 3.81Å; D98-R104 IonicContact OD2-CZ 3.06Å; D98-R104 IonicContact OD2-NH1 2.69Å; D98-R104 PolarHBondContact OD2-NH1 2.99Å; D98-R104 IonicContact OD2-NH2 2.69Å; D98-R104 PolarHBondContact OD2-NH2 3.07Å; L101-R104 VanDerWaalsContact O-CA 3.27Å; L101-R104 WeakPolarHBondContact O-CA 3.39Å; L101-R104 VanDerWaalsContact O-CG 3.29Å; L101-R104 WeakPolarHBondContact O-CG 3.47Å; L101-R104 PolarHBondContact O-N 3.07Å; L101-R104 VanDerWaalsContact O-N 3.09Å; R104-R106 VanDerWaalsContact C-N 3.33Å; R104-R106 PolarHBondContact O-N 2.9Å
105	D	72.6	Confident	77.7	Confident	164 Å²	164	88.3 Å²	88.3	88%	0.877	45%	0.45	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-18	-177.3	-47.7	-54.4	0	0	0	113.4	P103	P103-D105 VanDerWaalsContact C-N 3.29Å; P103-D105 PolarHBondContact O-N 3.11Å
106	R	75.6	Confident	75.4	Confident	195 Å²	195	90.8 Å²	90.8	74%	0.736	47%	0.465	S	S	*	.	S	Bend	trans	-154.4	68.6	179.5	-166	179.3	179.8	172	1.1	111	P103 R104 F108	P103-R106 WeakPolarHBondContact CD-O 3.3Å; P103-R106 WeakPolarHBondContact CG-O 3.36Å; P103-R106 CarbonylContact O-C 3.11Å; P103-R106 PolarHBondContact O-N 3.27Å; R104-R106 VanDerWaalsContact C-N 3.33Å; R104-R106 PolarHBondContact O-N 2.9Å; R106-F108 PolarHBondContact O-N 3.27Å
107	P	82.9	Confident	73.6	Confident	21 Å²	21	99 Å²	99	14%	0.136	51%	0.509	C	S	.	.			trans	-63.8	130	-171	22.2	-33	0	0	0	111.9	L101 I102 P103 V109 C110	L101-P107 HydrophobicContact CB-CB 3.99Å; L101-P107 HydrophobicContact CB-CG 4.42Å; L101-P107 HydrophobicContact CD2-CB 3.8Å; L101-P107 HydrophobicContact CD2-CG 3.97Å; L101-P107 HydrophobicContact CG-CB 4.46Å; I102-P107 WeakPolarHBondContact O-CA 3.2Å; P103-P107 VanDerWaalsContact O-CA 3.23Å; P103-P107 WeakPolarHBondContact O-CA 3.48Å; P103-P107 WeakPolarHBondContact O-CD 3.25Å; P107-V109 HydrophobicContact CB-CG1 4.28Å; P107-V109 PolarHBondContact O-N 3.15Å; P107-C110 HydrophobicContact CG-CB 4.08Å; P107-C110 PolarHBondContact O-N 2.95Å
108	F	83	Confident	72.2	Confident	154 Å²	154	98.9 Å²	98.9	68%	0.675	51%	0.513	S	S	*	.	G	3₁₀ helix	trans	-60	-32.4	-174.9	-65.2	-59.4	0	0	0	113.2	I102 P103 R106 C110 A111	I102-F108 WeakPolarHBondContact O-CD2 3.44Å; I102-F108 PolarHBondContact O-N 2.73Å; P103-F108 VanDerWaalsContact CD-CE2 3.48Å; R106-F108 PolarHBondContact O-N 3.27Å; F108-C110 PolarHBondContact O-N 3.39Å; F108-A111 PolarHBondContact O-N 2.58Å; F108-A111 VanDerWaalsContact O-N 3.14Å
109	V	82.6	Confident	71.3	Confident	52 Å²	52	97.8 Å²	97.8	32%	0.315	52%	0.515	S	S	.	.	G	3₁₀ helix	trans	-62.2	-19.5	175.8	66	0	0	0	0	113.1	F78 I96 L101 P107 P122	F78-V109 HydrophobicContact CD2-CG2 3.87Å; F78-V109 HydrophobicContact CE2-CG2 3.83Å; F78-V109 WeakPolarHBondContact CE2-O 3.39Å; I96-V109 HydrophobicContact CD1-CG2 4.25Å; I96-V109 HydrophobicContact CG2-CG1 4.31Å; L101-V109 HydrophobicContact CD2-CG1 4.39Å; P107-V109 HydrophobicContact CB-CG1 4.28Å; P107-V109 PolarHBondContact O-N 3.15Å; V109-P122 WeakPolarHBondContact O-CB 3.28Å
110	C	82.1	Confident	70.8	Confident	33 Å²	33	96.6 Å²	96.6	22%	0.223	50%	0.501	C	S	.	.	G	3₁₀ helix	trans	-104.2	3.3	179.3	-53.1	0	0	0	0	113.4	P107 F108 C124	P107-C110 HydrophobicContact CG-CB 4.08Å; P107-C110 PolarHBondContact O-N 2.95Å; F108-C110 PolarHBondContact O-N 3.39Å; C110-C124 WeakPolarHBondContact CA-SG 3.41Å; C110-C124 HydrophobicContact CB-CB 3.63Å; C110-C124 WeakPolarHBondContact CB-SG 3.19Å; C110-C124 WeakPolarHBondContact SG-CB 3.35Å; C110-C124 CovalentContact SG-SG 2.02Å; C110-C124 PolarHBondContact SG-SG 2.77Å
111	A	78	Confident	70.6	Confident	30 Å²	30	94.6 Å²	94.6	25%	0.248	49%	0.49	C	S	.	.	S	Bend	trans	-100.9	128.9	-174.6	0	0	0	0	0	111.6	F108 N113 P122	F108-A111 PolarHBondContact O-N 2.58Å; F108-A111 VanDerWaalsContact O-N 3.14Å; A111-N113 PolarHBondContact O-N 3.13Å; A111-P122 WeakPolarHBondContact O-CG 3.17Å
112	P	68.3	Low	70.6	Confident	93 Å²	93	95.2 Å²	95.2	60%	0.604	50%	0.495	S	S	*	.			trans	-66.5	130.5	173	27.2	-33.4	0	0	0	110.5	S114	P112-S114 PolarHBondContact O-N 3.22Å
113	N	60.1	Low	70.9	Confident	99 Å²	99	91.9 Å²	91.9	53%	0.529	48%	0.478	S	S	.	.			trans	-80.2	114	-178	-172	9.8	0	0	0	111.1	A111 R115 T116	A111-N113 PolarHBondContact O-N 3.13Å; N113-R115 PolarHBondContact O-N 2.89Å; N113-R115 PolarHBondContact OD1-N 2.91Å; N113-T116 WeakPolarHBondContact ND2-CG2 3.3Å; N113-T116 PolarHBondContact ND2-OG1 3.02Å
114	S	55	Low	71.5	Confident	116 Å²	116	91 Å²	91	81%	0.811	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.6	5.4	-177.6	58.7	0	0	0	0	115.1	P112	P112-S114 PolarHBondContact O-N 3.22Å
115	R	49.7	Very low	72.2	Confident	225 Å²	225	85.7 Å²	85.7	85%	0.849	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-129.6	12.4	-171.3	-67.8	-170.8	176.7	-177.9	-0.1	115.9	N113	N113-R115 PolarHBondContact O-N 2.89Å; N113-R115 PolarHBondContact OD1-N 2.91Å
116	T	44.8	Very low	72.9	Confident	71 Å²	71	80.7 Å²	80.7	44%	0.436	44%	0.436	S	S	.	.			trans	-136.8	124.6	178.7	54.3	0	0	0	0	112.9	N113 T118	N113-T116 WeakPolarHBondContact ND2-CG2 3.3Å; N113-T116 PolarHBondContact ND2-OG1 3.02Å; T116-T118 PolarHBondContact O-N 2.88Å; T116-T118 PolarHBondContact OG1-OG1 3.28Å
117	D	53.7	Low	73.5	Confident	178 Å²	178	74.9 Å²	74.9	95%	0.952	42%	0.424	S	S	*	.			trans	-73.9	35.5	179.4	-157.3	19.1	0	0	0	113.1
118	T	59.2	Low	73.9	Confident	70 Å²	70	78.2 Å²	78.2	43%	0.429	44%	0.441	S	S	.	.	S	Bend	trans	-89	-11.9	-170	48.1	0	0	0	0	113.7	R82 T116 I120	R82-T118 PolarHBondContact NH1-O 3.33Å; T116-T118 PolarHBondContact O-N 2.88Å; T116-T118 PolarHBondContact OG1-OG1 3.28Å; T118-I120 PolarHBondContact O-N 3.39Å
119	G	66.2	Low	74.1	Confident	30 Å²	30	74.8 Å²	74.8	31%	0.309	43%	0.425	S	S	.	.			trans	67.9	14.7	177.9	0	0	0	0	0	115.6	R82 K83	R82-G119 WeakPolarHBondContact CA-O 3.5Å; K83-G119 PolarHBondContact N-O 2.79Å; K83-G119 VanDerWaalsContact N-O 3.1Å
120	I	75.1	Confident	74.4	Confident	62 Å²	62	73.5 Å²	73.5	32%	0.318	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	127.2	180	-51.5	170.4	0	0	0	110	A80 I81 T118	A80-I120 HydrophobicContact CB-CG2 4Å; I81-I120 CarbonylContact O-C 3.57Å; I81-I120 WeakPolarHBondContact O-CA 3.48Å; T118-I120 PolarHBondContact O-N 3.39Å
121	F	79.5	Confident	74.7	Confident	62 Å²	62	71.9 Å²	71.9	27%	0.272	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	106.1	178.6	-60.1	-86.4	0	0	0	109.5	I81 K83 F139	I81-F121 PolarHBondContact N-O 2.92Å; I81-F121 PolarHBondContact O-N 3.01Å; K83-F121 HydrophobicContact CB-CE2 4.19Å; F121-F139 HydrophobicContact CB-CZ 4.34Å; F121-F139 AromaticContact CD1-CE1 3.79Å; F121-F139 HydrophobicContact CD1-CE1 3.79Å; F121-F139 AromaticContact CD1-CZ 3.8Å; F121-F139 HydrophobicContact CD1-CZ 3.8Å; F121-F139 HydrophobicContact CD2-CZ 4.32Å; F121-F139 AromaticContact CE1-CE1 3.84Å; F121-F139 HydrophobicContact CE1-CE1 3.84Å; F121-F139 HydrophobicContact CE1-CZ 4.18Å; F121-F139 HydrophobicContact CG-CE1 4.33Å; F121-F139 AromaticContact CG-CZ 3.87Å; F121-F139 HydrophobicContact CG-CZ 3.87Å; F121-F139 HydrophobicContact CZ-CE1 4.44Å
122	P	85.9	Confident	75.1	Confident	28 Å²	28	75.1 Å²	75.1	18%	0.182	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	137.6	171.8	31.5	-33	0	0	0	110.4	F78 V109 A111	F78-P122 HydrophobicContact CE2-CB 3.75Å; F78-P122 HydrophobicContact CZ-CB 4.27Å; V109-P122 WeakPolarHBondContact O-CB 3.28Å; A111-P122 WeakPolarHBondContact O-CG 3.17Å
123	M	84.6	Confident	75.7	Confident	45 Å²	45	78.3 Å²	78.3	22%	0.222	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	147.2	174.8	-54.1	-164.6	-45.9	0	0	110.5	F78 V79 I81 P134 P137	F78-M123 WeakPolarHBondContact CA-O 3.5Å; V79-M123 HydrophobicContact CG1-CB 4.1Å; V79-M123 HydrophobicContact CG1-CE 4.15Å; V79-M123 PolarHBondContact N-O 2.79Å; V79-M123 PolarHBondContact O-N 3.48Å; I81-M123 HydrophobicContact CD1-CE 3.48Å; I81-M123 VanDerWaalsContact CD1-CE 3.48Å; I81-M123 HydrophobicContact CD1-SD 4.26Å; M123-P134 HydrophobicContact CE-CB 3.73Å; M123-P134 HydrophobicContact CE-CG 4.39Å; M123-P137 HydrophobicContact SD-CG 4.47Å
124	C	89.2	Confident	76.2	Confident	38 Å²	38	74.4 Å²	74.4	26%	0.257	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.5	174.7	-62.5	0	0	0	0	110.8	V76 C77 C110	V76-C124 HydrophobicContact CB-CB 4.29Å; V76-C124 HydrophobicContact CG2-CB 3.85Å; C77-C124 CarbonylContact O-C 3.57Å; C77-C124 VanDerWaalsContact O-CA 3.23Å; C77-C124 WeakPolarHBondContact O-CA 3.42Å; C110-C124 WeakPolarHBondContact CA-SG 3.41Å; C110-C124 HydrophobicContact CB-CB 3.63Å; C110-C124 WeakPolarHBondContact CB-SG 3.19Å; C110-C124 WeakPolarHBondContact SG-CB 3.35Å; C110-C124 CovalentContact SG-SG 2.02Å; C110-C124 PolarHBondContact SG-SG 2.77Å
125	C	87.6	Confident	76.7	Confident	33 Å²	33	76.6 Å²	76.6	22%	0.223	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	161.3	-179.2	56.6	0	0	0	0	111.4	C77 C130	C77-C125 PolarHBondContact N-O 2.83Å; C77-C125 PolarHBondContact O-N 3.37Å; C125-C130 HydrophobicContact CB-CB 3.79Å; C125-C130 WeakPolarHBondContact CB-SG 3.42Å; C125-C130 WeakPolarHBondContact SG-CB 3.16Å; C125-C130 CovalentContact SG-SG 2.02Å; C125-C130 PolarHBondContact SG-SG 3.3Å
126	S	88.8	Confident	77.3	Confident	60 Å²	60	70.7 Å²	70.7	42%	0.42	39%	0.385	S	S	.	.			trans	-131.1	37.4	-164.3	-47.7	0	0	0	0	113.3
127	S	87.1	Confident	77.8	Confident	72 Å²	72	70.6 Å²	70.6	50%	0.503	39%	0.386	S	S	.	.	S	Bend	trans	-134.6	152.2	173.1	44.5	0	0	0	0	110.1	Y129 C130	S127-Y129 PolarHBondContact O-N 3.45Å; S127-C130 VanDerWaalsContact O-CB 3.23Å; S127-C130 WeakPolarHBondContact O-CB 3.16Å; S127-C130 PolarHBondContact O-N 3.05Å; S127-C130 PolarHBondContact O-SG 3.41Å; S127-C130 WeakPolarHBondContact OG-CB 3.45Å
128	D	90.6	Very high	77.6	Confident	92 Å²	92	68.7 Å²	68.7	49%	0.492	38%	0.38	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	131.9	-172.5	-67.1	-41.4	0	0	0	112	Q59 C130	Q59-D128 PolarHBondContact N-OD1 3.06Å; Q59-D128 CarbonylContact O-C 3.59Å; Q59-D128 WeakPolarHBondContact O-CA 3.38Å; D128-C130 PolarHBondContact O-N 3.24Å; D128-C130 VanDerWaalsContact O-N 3.1Å
129	Y	89.1	Confident	77	Confident	82 Å²	82	68.5 Å²	68.5	32%	0.322	37%	0.374	S	S	.	.	T	Hydrogen-bonded Turn	trans	56.9	15.5	-178.5	-59.6	-84.3	0	0	0	116.3	Q59 S127 N131 K132	Q59-Y129 HydrophobicContact CB-CD2 4.35Å; Q59-Y129 HydrophobicContact CB-CE2 3.68Å; Q59-Y129 PolarHBondContact O-N 2.58Å; Q59-Y129 VanDerWaalsContact OE1-CE2 3.27Å; Q59-Y129 PolarHBondContact OE1-OH 2.88Å; S127-Y129 PolarHBondContact O-N 3.45Å; Y129-N131 PolarHBondContact O-N 3.07Å; Y129-K132 WeakPolarHBondContact O-CB 3.24Å; Y129-K132 PolarHBondContact O-N 3.38Å
130	C	87.5	Confident	75.8	Confident	24 Å²	24	72.5 Å²	72.5	16%	0.162	39%	0.394	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-19.5	-177.8	65.2	0	0	0	0	115.1	C125 S127 D128	C125-C130 HydrophobicContact CB-CB 3.79Å; C125-C130 WeakPolarHBondContact CB-SG 3.42Å; C125-C130 WeakPolarHBondContact SG-CB 3.16Å; C125-C130 CovalentContact SG-SG 2.02Å; C125-C130 PolarHBondContact SG-SG 3.3Å; S127-C130 VanDerWaalsContact O-CB 3.23Å; S127-C130 WeakPolarHBondContact O-CB 3.16Å; S127-C130 PolarHBondContact O-N 3.05Å; S127-C130 PolarHBondContact O-SG 3.41Å; S127-C130 WeakPolarHBondContact OG-CB 3.45Å; D128-C130 PolarHBondContact O-N 3.24Å; D128-C130 VanDerWaalsContact O-N 3.1Å
131	N	89.8	Confident	74	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	42%	0.419	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-1.1	177.7	72.2	-27.4	0	0	0	114	Y61 C77 F78 V79 R93 Y129	Y61-N131 WeakPolarHBondContact CB-OD1 3.5Å; Y61-N131 PolarHBondContact N-OD1 2.62Å; Y61-N131 PolarHBondContact O-ND2 3.43Å; C77-N131 HydrophobicContact CB-CB 3.88Å; F78-N131 PolarHBondContact O-ND2 2.61Å; V79-N131 HydrophobicContact CB-CB 4.15Å; V79-N131 HydrophobicContact CG1-CB 4.44Å; R93-N131 VanDerWaalsContact CD-O 3.22Å; R93-N131 WeakPolarHBondContact CD-O 3.15Å; R93-N131 PolarHBondContact NE-O 3.42Å; Y129-N131 PolarHBondContact O-N 3.07Å
132	K	85.3	Confident	72.1	Confident	97 Å²	97	84.2 Å²	84.2	42%	0.422	45%	0.448	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-59.1	178.6	-172.3	-177.8	177	-168.7	0	111	Y61 R93 Y129	Y61-K132 HydrophobicContact CD2-CB 4.31Å; Y61-K132 HydrophobicContact CD2-CD 4Å; Y61-K132 HydrophobicContact CD2-CG 3.79Å; Y61-K132 HydrophobicContact CE2-CD 4.47Å; Y61-K132 HydrophobicContact CE2-CG 4.31Å; Y61-K132 HydrophobicContact CG-CB 4.27Å; Y61-K132 HydrophobicContact CG-CG 4.13Å; R93-K132 PolarHBondContact NE-O 3.39Å; R93-K132 PolarHBondContact NH2-O 3.05Å; Y129-K132 WeakPolarHBondContact O-CB 3.24Å; Y129-K132 PolarHBondContact O-N 3.38Å
133	E	80.8	Confident	69.7	Low	161 Å²	161	91.5 Å²	91.5	75%	0.752	48%	0.48	S	S	*	.	S	Bend	trans	-124.1	83.2	175.1	-75.2	165.6	-136.2	0	0	107.3
134	P	71.6	Confident	67.3	Low	16 Å²	16	98.5 Å²	98.5	10%	0.104	51%	0.509	C	S	.	.			trans	-70.5	132.9	-179	28.6	-33.8	0	0	0	110.4	V79 I81 M123 F136	V79-P134 HydrophobicContact CG1-CB 4.27Å; V79-P134 HydrophobicContact CG1-CG 4.27Å; I81-P134 HydrophobicContact CD1-CG 4.05Å; M123-P134 HydrophobicContact CE-CB 3.73Å; M123-P134 HydrophobicContact CE-CG 4.39Å; P134-F136 HydrophobicContact CG-CE1 4.37Å; P134-F136 PolarHBondContact O-N 3Å
135	D	65	Low	64.9	Low	163 Å²	163	102.3 Å²	102.3	87%	0.872	53%	0.534	S	S	*	.			trans	-59.5	109.7	166.4	-89.6	-37.7	0	0	0	108.8	P137	D135-P137 VanDerWaalsContact O-CD 3.23Å; D135-P137 WeakPolarHBondContact O-CD 3.11Å
136	F	62	Low	62.7	Low	100 Å²	100	109.5 Å²	109.5	44%	0.439	56%	0.564	S	S	.	*			trans	-70.2	116.4	178.6	-58.8	-76.1	0	0	0	108.9	I81 Q88 P134 V138	I81-F136 HydrophobicContact CD1-CD1 3.97Å; I81-F136 HydrophobicContact CD1-CE1 3.83Å; I81-F136 HydrophobicContact CG2-CE1 4.29Å; Q88-F136 HydrophobicContact CB-CD1 4.07Å; Q88-F136 HydrophobicContact CB-CE1 3.68Å; Q88-F136 HydrophobicContact CB-CZ 4.17Å; Q88-F136 HydrophobicContact CG-CD1 4.42Å; P134-F136 HydrophobicContact CG-CE1 4.37Å; P134-F136 PolarHBondContact O-N 3Å; F136-V138 PolarHBondContact O-N 3.45Å
137	P	55.8	Low	60.6	Low	69 Å²	69	112 Å²	112	45%	0.448	58%	0.582	S	S	.	*			trans	-59.2	131	165.2	26.4	-32.4	0	0	0	107.5	M123 D135 F139	M123-P137 HydrophobicContact SD-CG 4.47Å; D135-P137 VanDerWaalsContact O-CD 3.23Å; D135-P137 WeakPolarHBondContact O-CD 3.11Å; P137-F139 VanDerWaalsContact C-N 3.28Å; P137-F139 HydrophobicContact CG-CZ 4.45Å; P137-F139 WeakPolarHBondContact O-CD2 3.41Å; P137-F139 PolarHBondContact O-N 3.23Å
138	V	48.7	Very low	59.2	Low	139 Å²	139	114.2 Å²	114.2	84%	0.842	59%	0.587	S	S	*	*			trans	-64.6	95.7	172.8	179.8	0	0	0	0	106.8	F136 P140	F136-V138 PolarHBondContact O-N 3.45Å; V138-P140 WeakPolarHBondContact O-CD 3.2Å
139	F	48	Very low	58	Low	65 Å²	65	111.6 Å²	111.6	29%	0.285	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-56.2	121.4	168.6	-66.8	-82.5	0	0	0	106.7	F121 P137 E141	F121-F139 HydrophobicContact CB-CZ 4.34Å; F121-F139 AromaticContact CD1-CE1 3.79Å; F121-F139 HydrophobicContact CD1-CE1 3.79Å; F121-F139 AromaticContact CD1-CZ 3.8Å; F121-F139 HydrophobicContact CD1-CZ 3.8Å; F121-F139 HydrophobicContact CD2-CZ 4.32Å; F121-F139 AromaticContact CE1-CE1 3.84Å; F121-F139 HydrophobicContact CE1-CE1 3.84Å; F121-F139 HydrophobicContact CE1-CZ 4.18Å; F121-F139 HydrophobicContact CG-CE1 4.33Å; F121-F139 AromaticContact CG-CZ 3.87Å; F121-F139 HydrophobicContact CG-CZ 3.87Å; F121-F139 HydrophobicContact CZ-CE1 4.44Å; P137-F139 VanDerWaalsContact C-N 3.28Å; P137-F139 HydrophobicContact CG-CZ 4.45Å; P137-F139 WeakPolarHBondContact O-CD2 3.41Å; P137-F139 PolarHBondContact O-N 3.23Å; F139-E141 PolarHBondContact O-N 3.17Å
140	P	39.5	Very low	56.8	Low	115 Å²	115	113 Å²	113	75%	0.747	60%	0.602	S	S	*	*	P	Polyproline II helix	trans	-55.2	133.5	175.2	23	-32.1	0	0	0	108.1	V138 E142	V138-P140 WeakPolarHBondContact O-CD 3.2Å; P140-E142 PolarHBondContact O-N 3.12Å
141	E	38.8	Very low	55.8	Low	179 Å²	179	117.7 Å²	117.7	84%	0.836	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-56.9	137.1	168.6	-69.2	-171.3	125.9	0	0	108	F139 E143	F139-E141 PolarHBondContact O-N 3.17Å; E141-E143 VanDerWaalsContact C-N 3.29Å; E141-E143 PolarHBondContact O-N 3.49Å
142	E	38.8	Very low	54.4	Low	190 Å²	190	119.5 Å²	119.5	89%	0.888	64%	0.644	S	S	*	*			trans	-64.5	97.7	167.1	-73.2	-174.4	141.1	0	0	107.6	P140 K144	P140-E142 PolarHBondContact O-N 3.12Å; E142-K144 VanDerWaalsContact C-N 3.35Å; E142-K144 PolarHBondContact O-N 2.95Å
143	E	36.1	Very low	53.6	Low	182 Å²	182	119.9 Å²	119.9	85%	0.85	65%	0.65	S	S	*	*			trans	-56	104.2	162.6	-75.2	-165.9	153.3	0	0	107.3	E141 P145	E141-E143 VanDerWaalsContact C-N 3.29Å; E141-E143 PolarHBondContact O-N 3.49Å; E143-P145 VanDerWaalsContact O-CD 3.27Å; E143-P145 WeakPolarHBondContact O-CD 3.34Å
144	K	34.1	Very low	53.1	Low	191 Å²	191	115 Å²	115	83%	0.83	64%	0.637	S	S	*	*			trans	-55	115.8	168.3	-75.9	178.9	176.6	174.6	0	106.9	E142 Q146	E142-K144 VanDerWaalsContact C-N 3.35Å; E142-K144 PolarHBondContact O-N 2.95Å; K144-Q146 PolarHBondContact O-N 3.48Å; K144-Q146 VanDerWaalsContact O-N 3.17Å
145	P	37.5	Very low	52.9	Low	119 Å²	119	116.6 Å²	116.6	77%	0.773	65%	0.652	S	S	*	*			trans	-60.1	127.5	-179.4	23.3	-32.1	0	0	0	108.3	E143 S147	E143-P145 VanDerWaalsContact O-CD 3.27Å; E143-P145 WeakPolarHBondContact O-CD 3.34Å; P145-S147 PolarHBondContact O-N 2.71Å; P145-S147 VanDerWaalsContact O-N 3.08Å
146	Q	42.7	Very low	53.4	Low	183 Å²	183	113.6 Å²	113.6	86%	0.855	64%	0.639	S	S	*	*			trans	-55.3	119.8	175.4	-68.8	-178.3	-4.6	0	0	108.4	K144 L148	K144-Q146 PolarHBondContact O-N 3.48Å; K144-Q146 VanDerWaalsContact O-N 3.17Å; Q146-L148 PolarHBondContact O-N 2.83Å
147	S	44	Very low	54.1	Low	114 Å²	114	113.9 Å²	113.9	80%	0.797	64%	0.644	S	S	*	*			trans	-64.7	103.2	-175.1	55.4	0	0	0	0	110.4	P145 G149	P145-S147 PolarHBondContact O-N 2.71Å; P145-S147 VanDerWaalsContact O-N 3.08Å; S147-G149 PolarHBondContact O-N 3.14Å
148	L	57.3	Low	55.3	Low	117 Å²	117	112.9 Å²	112.9	61%	0.613	64%	0.642	S	S	*	*			trans	-57.1	121.7	163.1	-91.2	75.6	0	0	0	107.7	Q146 A152	Q146-L148 PolarHBondContact O-N 2.83Å; L148-A152 HydrophobicContact CB-CB 4.23Å; L148-A152 HydrophobicContact CD2-CB 4.08Å; L148-A152 HydrophobicContact CG-CB 4.39Å
149	G	65.4	Low	56.6	Low	38 Å²	38	110.2 Å²	110.2	39%	0.392	63%	0.628	S	S	.	*			trans	-57.7	154.9	-178.5	0	0	0	0	0	111.9	S147 V151 A152 L153	S147-G149 PolarHBondContact O-N 3.14Å; G149-V151 PolarHBondContact O-N 3.18Å; G149-A152 PolarHBondContact O-N 3.23Å; G149-L153 PolarHBondContact O-N 3.43Å
150	P	63.5	Low	58.3	Low	112 Å²	112	110.9 Å²	110.9	73%	0.727	64%	0.639	S	S	*	*	H	α-helix	trans	-55.8	-27.3	-171.1	19.1	-32.1	0	0	0	114.2	A154	P150-A154 WeakPolarHBondContact O-CB 3.49Å; P150-A154 PolarHBondContact O-N 3.48Å
151	V	66.2	Low	60.6	Low	122 Å²	122	109.3 Å²	109.3	74%	0.739	63%	0.627	S	S	*	*	H	α-helix	trans	-65.1	-41	174.8	-175.7	0	0	0	0	112.3	G149 A155	G149-V151 PolarHBondContact O-N 3.18Å; V151-A155 PolarHBondContact O-N 2.87Å
152	A	62.2	Low	62.9	Low	38 Å²	38	104.3 Å²	104.3	31%	0.314	61%	0.611	S	S	.	*	H	α-helix	trans	-72.5	-38.6	179	0	0	0	0	0	111.3	L148 G149 A155 V156	L148-A152 HydrophobicContact CB-CB 4.23Å; L148-A152 HydrophobicContact CD2-CB 4.08Å; L148-A152 HydrophobicContact CG-CB 4.39Å; G149-A152 PolarHBondContact O-N 3.23Å; A152-A155 PolarHBondContact O-N 3.16Å; A152-V156 WeakPolarHBondContact O-CG2 3.35Å; A152-V156 PolarHBondContact O-N 3.28Å
153	L	66.8	Low	65.2	Low	104 Å²	104	99.3 Å²	99.3	55%	0.545	59%	0.593	S	S	.	*	H	α-helix	trans	-63.1	-42.2	174.5	-154.8	79.8	0	0	0	111.5	G149 V156 I157	G149-L153 PolarHBondContact O-N 3.43Å; L153-V156 PolarHBondContact O-N 3.27Å; L153-I157 HydrophobicContact CG-CD1 4.43Å; L153-I157 WeakPolarHBondContact O-CG1 3.19Å; L153-I157 PolarHBondContact O-N 3.07Å
154	A	70.3	Confident	67.8	Low	59 Å²	59	95.8 Å²	95.8	49%	0.488	58%	0.58	S	S	.	*	H	α-helix	trans	-62	-42.7	174.8	0	0	0	0	0	112.2	P150 I157 A158	P150-A154 WeakPolarHBondContact O-CB 3.49Å; P150-A154 PolarHBondContact O-N 3.48Å; A154-I157 PolarHBondContact O-N 3.45Å; A154-A158 WeakPolarHBondContact O-CB 3.43Å; A154-A158 PolarHBondContact O-N 3.17Å
155	A	69.1	Low	70.5	Confident	50 Å²	50	89.7 Å²	89.7	41%	0.413	56%	0.561	S	S	.	*	H	α-helix	trans	-63.9	-42.3	177.6	0	0	0	0	0	112.8	V151 A152 I157 C159	V151-A155 PolarHBondContact O-N 2.87Å; A152-A155 PolarHBondContact O-N 3.16Å; A155-I157 VanDerWaalsContact C-N 3.28Å; A155-I157 PolarHBondContact O-N 3.41Å; A155-C159 WeakPolarHBondContact O-CB 3.42Å; A155-C159 PolarHBondContact O-N 3.12Å; A155-C159 VanDerWaalsContact O-N 3.08Å
156	V	74.7	Confident	73	Confident	99 Å²	99	89.6 Å²	89.6	60%	0.6	55%	0.553	S	S	*	*	H	α-helix	trans	-65.8	-28.7	179.2	171.2	0	0	0	0	112.4	A152 L153 P160	A152-V156 WeakPolarHBondContact O-CG2 3.35Å; A152-V156 PolarHBondContact O-N 3.28Å; L153-V156 PolarHBondContact O-N 3.27Å; V156-P160 WeakPolarHBondContact O-CD 3.34Å; V156-P160 VanDerWaalsContact O-CG 3.23Å; V156-P160 WeakPolarHBondContact O-CG 3.45Å
157	I	77.5	Confident	75.2	Confident	107 Å²	107	85.9 Å²	85.9	55%	0.549	54%	0.539	S	S	.	.	H	α-helix	trans	-88.5	-42	176.6	-62.5	167.8	0	0	0	111.4	L153 A154 A155 P160 V161	L153-I157 HydrophobicContact CG-CD1 4.43Å; L153-I157 WeakPolarHBondContact O-CG1 3.19Å; L153-I157 PolarHBondContact O-N 3.07Å; A154-I157 PolarHBondContact O-N 3.45Å; A155-I157 VanDerWaalsContact C-N 3.28Å; A155-I157 PolarHBondContact O-N 3.41Å; I157-P160 WeakPolarHBondContact O-CD 3.45Å; I157-V161 VanDerWaalsContact O-CG2 3.32Å; I157-V161 WeakPolarHBondContact O-CG2 3.18Å; I157-V161 PolarHBondContact O-N 3.47Å
158	A	79.2	Confident	77.3	Confident	47 Å²	47	85.8 Å²	85.8	39%	0.388	53%	0.528	S	S	.	.	H	α-helix	trans	-68.7	-40.4	-176.1	0	0	0	0	0	112.9	A154 V161 C162	A154-A158 WeakPolarHBondContact O-CB 3.43Å; A154-A158 PolarHBondContact O-N 3.17Å; A158-V161 PolarHBondContact O-N 2.98Å; A158-C162 WeakPolarHBondContact O-CB 3.45Å; A158-C162 PolarHBondContact O-N 3.15Å; A158-C162 PolarHBondContact O-SG 3.42Å
159	C	77.3	Confident	78.9	Confident	83 Å²	83	85.6 Å²	85.6	56%	0.561	53%	0.527	S	S	*	.	H	α-helix	trans	-61.2	-51.7	-178.3	-80.6	0	0	0	0	113.2	A155 V161 C162 V163	A155-C159 WeakPolarHBondContact O-CB 3.42Å; A155-C159 PolarHBondContact O-N 3.12Å; A155-C159 VanDerWaalsContact O-N 3.08Å; C159-V161 VanDerWaalsContact C-N 3.32Å; C159-V161 PolarHBondContact O-N 3.37Å; C159-C162 PolarHBondContact O-N 3.28Å; C159-V163 WeakPolarHBondContact O-CG2 3.24Å; C159-V163 PolarHBondContact O-N 3.21Å
160	P	83.5	Confident	79.8	Confident	80 Å²	80	88.5 Å²	88.5	52%	0.519	53%	0.533	S	S	.	.	H	α-helix	trans	-59.3	-39.7	176	-25.9	35.4	0	0	0	113.5	V156 I157 V163 L164	V156-P160 WeakPolarHBondContact O-CD 3.34Å; V156-P160 VanDerWaalsContact O-CG 3.23Å; V156-P160 WeakPolarHBondContact O-CG 3.45Å; I157-P160 WeakPolarHBondContact O-CD 3.45Å; P160-V163 PolarHBondContact O-N 2.88Å; P160-L164 WeakPolarHBondContact O-CB 3.41Å; P160-L164 PolarHBondContact O-N 3.18Å
161	V	87.8	Confident	80.7	Confident	81 Å²	81	85.5 Å²	85.5	49%	0.491	52%	0.518	S	S	.	.	H	α-helix	trans	-65.3	-44.9	178.1	173.8	0	0	0	0	111	I157 A158 C159 V163 L164 C165	I157-V161 VanDerWaalsContact O-CG2 3.32Å; I157-V161 WeakPolarHBondContact O-CG2 3.18Å; I157-V161 PolarHBondContact O-N 3.47Å; A158-V161 PolarHBondContact O-N 2.98Å; C159-V161 VanDerWaalsContact C-N 3.32Å; C159-V161 PolarHBondContact O-N 3.37Å; V161-V163 PolarHBondContact O-N 3.15Å; V161-L164 PolarHBondContact O-N 2.9Å; V161-C165 PolarHBondContact O-N 3.12Å; V161-C165 PolarHBondContact O-SG 3.29Å
162	C	85.8	Confident	81.5	Confident	75 Å²	75	86.9 Å²	86.9	51%	0.507	51%	0.514	S	S	.	.	H	α-helix	trans	-62.8	-41.4	176.4	-67.2	0	0	0	0	112	A158 C159 C165 L166	A158-C162 WeakPolarHBondContact O-CB 3.45Å; A158-C162 PolarHBondContact O-N 3.15Å; A158-C162 PolarHBondContact O-SG 3.42Å; C159-C162 PolarHBondContact O-N 3.28Å; C162-C165 PolarHBondContact O-N 2.84Å; C162-L166 WeakPolarHBondContact O-CG 3.39Å; C162-L166 PolarHBondContact O-N 3.45Å
163	V	88.3	Confident	82.5	Confident	84 Å²	84	92 Å²	92	51%	0.509	53%	0.526	S	S	.	.	H	α-helix	trans	-62.4	-44.1	174.8	171.2	0	0	0	0	110.9	C159 P160 V161 C165 L166 L167	C159-V163 WeakPolarHBondContact O-CG2 3.24Å; C159-V163 PolarHBondContact O-N 3.21Å; P160-V163 PolarHBondContact O-N 2.88Å; V161-V163 PolarHBondContact O-N 3.15Å; V163-C165 PolarHBondContact O-N 3.36Å; V163-L166 PolarHBondContact O-N 2.91Å; V163-L167 HydrophobicContact CG1-CD1 4.06Å; V163-L167 HydrophobicContact CG1-CG 4.46Å; V163-L167 WeakPolarHBondContact O-CG 3.47Å; V163-L167 PolarHBondContact O-N 2.9Å
164	L	91	Very high	83.1	Confident	108 Å²	108	90.6 Å²	90.6	57%	0.565	52%	0.519	S	S	*	.	H	α-helix	trans	-60.8	-44.6	177	-159.1	90	0	0	0	111.6	P160 V161 L166 L167 L168	P160-L164 WeakPolarHBondContact O-CB 3.41Å; P160-L164 PolarHBondContact O-N 3.18Å; V161-L164 PolarHBondContact O-N 2.9Å; L164-L166 PolarHBondContact O-N 3.38Å; L164-L167 PolarHBondContact O-N 3.47Å; L164-L168 WeakPolarHBondContact O-CG 3.26Å; L164-L168 PolarHBondContact O-N 2.89Å
165	C	89.4	Confident	83.2	Confident	63 Å²	63	90.8 Å²	90.8	43%	0.426	52%	0.516	S	S	.	.	H	α-helix	trans	-61.3	-42.7	176.2	-69.2	0	0	0	0	112.4	V161 C162 V163 L168 I169	V161-C165 PolarHBondContact O-N 3.12Å; V161-C165 PolarHBondContact O-SG 3.29Å; C162-C165 PolarHBondContact O-N 2.84Å; V163-C165 PolarHBondContact O-N 3.36Å; C165-L168 PolarHBondContact O-N 3.12Å; C165-I169 VanDerWaalsContact O-CG1 3.32Å; C165-I169 WeakPolarHBondContact O-CG1 3.37Å; C165-I169 PolarHBondContact O-N 2.89Å
166	L	90.1	Very high	83.4	Confident	118 Å²	118	94.3 Å²	94.3	62%	0.618	52%	0.523	S	S	*	.	H	α-helix	trans	-64.9	-39.8	177	-71.6	170.9	0	0	0	112.2	C162 V163 L164 I169 L170	C162-L166 WeakPolarHBondContact O-CG 3.39Å; C162-L166 PolarHBondContact O-N 3.45Å; V163-L166 PolarHBondContact O-N 2.91Å; L164-L166 PolarHBondContact O-N 3.38Å; L166-I169 PolarHBondContact O-N 2.73Å; L166-L170 WeakPolarHBondContact O-CB 3.43Å; L166-L170 PolarHBondContact O-N 3.31Å
167	L	89.6	Confident	83.1	Confident	105 Å²	105	93.3 Å²	93.3	55%	0.55	52%	0.515	S	S	.	.	H	α-helix	trans	-64.1	-39.6	175.2	-70.5	172.4	0	0	0	112.2	V163 L164 L170 A171	V163-L167 HydrophobicContact CG1-CD1 4.06Å; V163-L167 HydrophobicContact CG1-CG 4.46Å; V163-L167 WeakPolarHBondContact O-CG 3.47Å; V163-L167 PolarHBondContact O-N 2.9Å; L164-L167 PolarHBondContact O-N 3.47Å; L167-L170 PolarHBondContact O-N 2.68Å; L167-A171 WeakPolarHBondContact O-CB 3.38Å; L167-A171 PolarHBondContact O-N 2.81Å
168	L	88.9	Confident	82.4	Confident	111 Å²	111	95.1 Å²	95.1	58%	0.581	52%	0.521	S	S	*	.	H	α-helix	trans	-66.6	-40.3	176	-70.5	170.8	0	0	0	112.4	L164 C165 A171 F172	L164-L168 WeakPolarHBondContact O-CG 3.26Å; L164-L168 PolarHBondContact O-N 2.89Å; C165-L168 PolarHBondContact O-N 3.12Å; L168-A171 PolarHBondContact O-N 2.92Å; L168-F172 WeakPolarHBondContact O-CB 3.35Å; L168-F172 PolarHBondContact O-N 3.43Å
169	I	89.3	Confident	81.4	Confident	113 Å²	113	103.2 Å²	103.2	58%	0.579	54%	0.541	S	S	*	.	H	α-helix	trans	-65.1	-42.6	174.9	-67.5	164.7	0	0	0	110.6	C165 L166 F172 Y173	C165-I169 VanDerWaalsContact O-CG1 3.32Å; C165-I169 WeakPolarHBondContact O-CG1 3.37Å; C165-I169 PolarHBondContact O-N 2.89Å; L166-I169 PolarHBondContact O-N 2.73Å; I169-F172 PolarHBondContact O-N 3.34Å; I169-Y173 WeakPolarHBondContact O-CB 3.27Å; I169-Y173 PolarHBondContact O-N 3.4Å
170	L	85.1	Confident	80.2	Confident	100 Å²	100	102 Å²	102	52%	0.524	54%	0.543	S	S	.	.	H	α-helix	trans	-64.2	-43.4	177.3	-169.3	73	0	0	0	111.5	L166 L167 Y173 I174	L166-L170 WeakPolarHBondContact O-CB 3.43Å; L166-L170 PolarHBondContact O-N 3.31Å; L167-L170 PolarHBondContact O-N 2.68Å; L170-Y173 PolarHBondContact O-N 3.01Å; L170-I174 HydrophobicContact CD2-CD1 4.46Å; L170-I174 HydrophobicContact CG-CD1 3.98Å; L170-I174 VanDerWaalsContact O-CG1 3.3Å; L170-I174 WeakPolarHBondContact O-CG1 3.29Å; L170-I174 PolarHBondContact O-N 3.17Å
171	A	81.9	Confident	78.4	Confident	49 Å²	49	106 Å²	106	41%	0.405	56%	0.559	S	S	.	*	H	α-helix	trans	-60.8	-44.8	175.1	0	0	0	0	0	111.7	L167 L168 Y173 I174 C175	L167-A171 WeakPolarHBondContact O-CB 3.38Å; L167-A171 PolarHBondContact O-N 2.81Å; L168-A171 PolarHBondContact O-N 2.92Å; A171-Y173 PolarHBondContact O-N 2.86Å; A171-I174 PolarHBondContact O-N 3.04Å; A171-C175 WeakPolarHBondContact O-CB 3.08Å; A171-C175 PolarHBondContact O-N 3.45Å; A171-C175 PolarHBondContact O-SG 2.99Å; A171-C175 VanDerWaalsContact O-SG 3.36Å
172	F	84.2	Confident	76.4	Confident	151 Å²	151	105.6 Å²	105.6	66%	0.662	57%	0.571	S	S	*	*	H	α-helix	trans	-59.5	-45.3	174.9	-176.7	-95.2	0	0	0	111.9	L168 I169 C175 H176	L168-F172 WeakPolarHBondContact O-CB 3.35Å; L168-F172 PolarHBondContact O-N 3.43Å; I169-F172 PolarHBondContact O-N 3.34Å; F172-C175 PolarHBondContact O-N 3.44Å; F172-H176 VanDerWaalsContact O-CB 3.31Å; F172-H176 WeakPolarHBondContact O-CB 3.45Å; F172-H176 PolarHBondContact O-N 2.96Å
173	Y	83.4	Confident	74.3	Confident	144 Å²	144	106.9 Å²	106.9	57%	0.565	59%	0.587	S	S	*	*	H	α-helix	trans	-63.5	-42.3	178.3	-169.7	-96.5	0	0	0	112.5	I169 L170 A171 H176 N177	I169-Y173 WeakPolarHBondContact O-CB 3.27Å; I169-Y173 PolarHBondContact O-N 3.4Å; L170-Y173 PolarHBondContact O-N 3.01Å; A171-Y173 PolarHBondContact O-N 2.86Å; Y173-H176 PolarHBondContact O-N 3.2Å; Y173-N177 PolarHBondContact O-N 3.38Å
174	I	78.5	Confident	71.7	Confident	76 Å²	76	106.7 Å²	106.7	39%	0.39	60%	0.602	S	S	.	*	H	α-helix	trans	-65.1	-47.5	176.4	-68.9	167.4	0	0	0	110.7	L170 A171 H176 N177 Q178	L170-I174 HydrophobicContact CD2-CD1 4.46Å; L170-I174 HydrophobicContact CG-CD1 3.98Å; L170-I174 VanDerWaalsContact O-CG1 3.3Å; L170-I174 WeakPolarHBondContact O-CG1 3.29Å; L170-I174 PolarHBondContact O-N 3.17Å; A171-I174 PolarHBondContact O-N 3.04Å; I174-H176 VanDerWaalsContact C-N 3.27Å; I174-H176 PolarHBondContact O-N 3.12Å; I174-N177 PolarHBondContact O-N 2.65Å; I174-Q178 HydrophobicContact CG2-CG 4.31Å; I174-Q178 WeakPolarHBondContact O-CB 3.49Å; I174-Q178 VanDerWaalsContact O-CG 3.32Å; I174-Q178 WeakPolarHBondContact O-CG 3.3Å; I174-Q178 PolarHBondContact O-N 3.22Å
175	C	73.5	Confident	68.9	Low	63 Å²	63	105.3 Å²	105.3	43%	0.426	61%	0.614	S	S	.	*	H	α-helix	trans	-62.2	-33.9	176.5	-70.8	0	0	0	0	112.6	A171 F172 R179	A171-C175 WeakPolarHBondContact O-CB 3.08Å; A171-C175 PolarHBondContact O-N 3.45Å; A171-C175 PolarHBondContact O-SG 2.99Å; A171-C175 VanDerWaalsContact O-SG 3.36Å; F172-C175 PolarHBondContact O-N 3.44Å; C175-R179 VanDerWaalsContact O-CG 3.3Å; C175-R179 WeakPolarHBondContact O-CG 3.49Å; C175-R179 PolarHBondContact O-N 3.08Å
176	H	73.1	Confident	66.1	Low	123 Å²	123	107.5 Å²	107.5	57%	0.569	64%	0.636	S	S	*	*	H	α-helix	trans	-70.7	-46.4	176.1	-165.7	-81.1	0	0	0	111.8	F172 Y173 I174 R179 G180	F172-H176 VanDerWaalsContact O-CB 3.31Å; F172-H176 WeakPolarHBondContact O-CB 3.45Å; F172-H176 PolarHBondContact O-N 2.96Å; Y173-H176 PolarHBondContact O-N 3.2Å; I174-H176 VanDerWaalsContact C-N 3.27Å; I174-H176 PolarHBondContact O-N 3.12Å; H176-R179 PolarHBondContact O-N 3.12Å; H176-G180 PolarHBondContact O-N 2.67Å
177	N	68.2	Low	63.3	Low	79 Å²	79	105.8 Å²	105.8	42%	0.422	65%	0.648	S	S	.	*	H	α-helix	trans	-67.4	-36.4	177.2	-91.5	8	0	0	0	113	Y173 I174 R179 G180	Y173-N177 PolarHBondContact O-N 3.38Å; I174-N177 PolarHBondContact O-N 2.65Å; N177-R179 VanDerWaalsContact C-N 3.26Å; N177-R179 PolarHBondContact O-N 3.31Å; N177-G180 PolarHBondContact O-N 2.92Å
178	Q	63.2	Low	60.5	Low	144 Å²	144	105.3 Å²	105.3	67%	0.673	66%	0.659	S	S	*	*	H	α-helix	trans	-65.5	-29.6	174.6	-74.4	178	-8.7	0	0	112.5	I174 G180	I174-Q178 HydrophobicContact CG2-CG 4.31Å; I174-Q178 WeakPolarHBondContact O-CB 3.49Å; I174-Q178 VanDerWaalsContact O-CG 3.32Å; I174-Q178 WeakPolarHBondContact O-CG 3.3Å; I174-Q178 PolarHBondContact O-N 3.22Å; Q178-G180 VanDerWaalsContact C-N 3.32Å
179	R	57.3	Low	57.8	Low	217 Å²	217	107.8 Å²	107.8	82%	0.819	67%	0.672	S	S	*	*	H	α-helix	trans	-78.7	-12.1	172	-72.5	173.3	176	176.9	-1.5	113.7	C175 H176 N177	C175-R179 VanDerWaalsContact O-CG 3.3Å; C175-R179 WeakPolarHBondContact O-CG 3.49Å; C175-R179 PolarHBondContact O-N 3.08Å; H176-R179 PolarHBondContact O-N 3.12Å; N177-R179 VanDerWaalsContact C-N 3.26Å; N177-R179 PolarHBondContact O-N 3.31Å
180	G	53.1	Low	55.2	Low	59 Å²	59	110.7 Å²	110.7	61%	0.608	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.6	-11.3	-177.6	0	0	0	0	0	116.4	H176 N177 Q178	H176-G180 PolarHBondContact O-N 2.67Å; N177-G180 PolarHBondContact O-N 2.92Å; Q178-G180 VanDerWaalsContact C-N 3.32Å
181	L	45.6	Very low	52.4	Low	164 Å²	164	113.7 Å²	113.7	86%	0.859	69%	0.694	S	S	*	*	S	Bend	trans	-112.1	2.2	-176.6	-90.3	104.8	0	0	0	115.3
182	G	45.3	Very low	49.8	Very low	71 Å²	71	121.1 Å²	121.1	73%	0.732	71%	0.711	S	S	*	*			trans	-99.1	0.7	-174	0	0	0	0	0	116.9
183	A	41.7	Very low	47.6	Very low	103 Å²	103	120.6 Å²	120.6	85%	0.851	72%	0.72	S	S	*	*			trans	-108.2	92	-171.8	0	0	0	0	0	112.3
184	G	33.9	Very low	45.2	Very low	80 Å²	80	119.1 Å²	119.1	83%	0.825	73%	0.728	S	S	*	*			trans	-144.5	72.1	-176.6	0	0	0	0	0	114.4
185	G	30.9	Very low	43.2	Very low	79 Å²	79	122 Å²	122	81%	0.814	74%	0.744	S	S	*	*			trans	85.2	146.4	170.9	0	0	0	0	0	115.3
186	A	31.8	Very low	41.3	Very low	108 Å²	108	127.6 Å²	127.6	89%	0.893	76%	0.764	S	S	*	*			cis	-160.6	162.3	-7.2	0	0	0	0	0	110.1
187	G	30.7	Very low	39.5	Very low	83 Å²	83	129.4 Å²	129.4	86%	0.856	77%	0.773	S	S	*	*			trans	115.2	88	165.5	0	0	0	0	0	115.3
188	A	32	Very low	37.7	Very low	94 Å²	94	131.8 Å²	131.8	78%	0.777	79%	0.785	S	S	*	*			trans	-94.1	133.6	169.4	0	0	0	0	0	111
189	L	31.1	Very low	36.3	Very low	164 Å²	164	130.8 Å²	130.8	86%	0.859	79%	0.792	S	S	*	*				-163	136	129.9	-133.6	73.8	0	0	0	113.1
190	H	34.5	Very low	35.1	Very low	174 Å²	174	124.2 Å²	124.2	81%	0.806	78%	0.779	S	S	*	*			trans	-22.1	121.5	176.1	-60.6	-86	0	0	0	119.7
191	H	27.1	Very low	34.2	Very low	163 Å²	163	129.6 Å²	129.6	76%	0.755	79%	0.79	S	S	*	*				-160.5	143.7	105.5	-135.9	40.9	0	0	0	114.4
192	R	27.3	Very low	33.6	Very low	205 Å²	205	128.1 Å²	128.1	77%	0.774	78%	0.783	S	S	*	*			trans	26.6	120.5	144.8	-140.6	174.2	-164.3	124	0.3	119.8	P194	R192-P194 WeakPolarHBondContact O-CD 3.4Å
193	V	38.5	Very low	33	Very low	139 Å²	139	133.4 Å²	133.4	84%	0.842	79%	0.788	S	S	*	*			trans	-25.5	124.7	167.7	-177.3	0	0	0	0	115.6
194	P	31.3	Very low	33	Very low	114 Å²	114	132.6 Å²	132.6	74%	0.74	78%	0.775	S	S	*	*			trans	-116.5	157.2	143.9	5.5	16.8	0	0	0	112.1	R192	R192-P194 WeakPolarHBondContact O-CD 3.4Å
195	N	37	Very low	33.4	Very low	135 Å²	135	139.4 Å²	139.4	72%	0.722	78%	0.782	S	S	*	*			trans	-111.4	121.8	174.5	-178.4	73.6	0	0	0	107
196	E	32.9	Very low	34.4	Very low	182 Å²	182	137.1 Å²	137.1	85%	0.85	75%	0.751	S	S	*	*			trans	-133.4	115.6	168.6	-67.7	-173.8	149.7	0	0	104.9
197	E	35.8	Very low	34.8	Very low	160 Å²	160	136.9 Å²	136.9	75%	0.748	74%	0.738	S	S	*	*				61.4	109.1	53.6	-61.5	-166.2	160.1	0	0	112.6	P199	E197-P199 WeakPolarHBondContact O-CD 3.46Å
198	D	29.8	Very low	35.3	Very low	129 Å²	129	140.4 Å²	140.4	69%	0.69	74%	0.743	S	S	*	*			trans	-84.6	109.4	-173.9	178	4	0	0	0	110.3	S200	D198-S200 VanDerWaalsContact C-N 3.35Å; D198-S200 PolarHBondContact O-N 3.17Å
199	P	35.6	Very low	36.1	Very low	124 Å²	124	139.5 Å²	139.5	81%	0.805	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.4	62.3	-165.4	36.9	-36.1	0	0	0	112.2	E197	E197-P199 WeakPolarHBondContact O-CD 3.46Å
200	S	31.5	Very low	37.3	Very low	79 Å²	79	133.4 Å²	133.4	55%	0.552	71%	0.712	S	S	*	*	T	Hydrogen-bonded Turn	trans	-132	0.1	177.6	72.1	0	0	0	0	117.1	D198	D198-S200 VanDerWaalsContact C-N 3.35Å; D198-S200 PolarHBondContact O-N 3.17Å
201	M	33.9	Very low	38.5	Very low	172 Å²	172	128 Å²	128	85%	0.847	69%	0.692	S	S	*	*	S	Bend	trans	-134.2	11	178.6	-79	-76.7	100.2	0	0	116	H203	M201-H203 PolarHBondContact O-N 3.32Å
202	D	33.1	Very low	40.2	Very low	132 Å²	132	121.2 Å²	121.2	71%	0.706	66%	0.661	S	S	*	*			trans	-95.4	69.8	179.4	-85	-47.9	0	0	0	114.5
203	H	32.7	Very low	41.7	Very low	182 Å²	182	119.4 Å²	119.4	84%	0.843	66%	0.658	S	S	*	*			trans	-122.4	87.7	150.9	-79.4	-15.6	0	0	0	110	M201 F205	M201-H203 PolarHBondContact O-N 3.32Å; H203-F205 PolarHBondContact O-N 3.09Å
204	P	41.3	Very low	42.7	Very low	87 Å²	87	115.9 Å²	115.9	57%	0.565	64%	0.635	S	S	*	*			trans	-54.4	137.5	158.7	-18.5	31	0	0	0	108.8	I206	P204-I206 PolarHBondContact O-N 3.27Å
205	F	43.8	Very low	44.2	Very low	222 Å²	222	111.1 Å²	111.1	97%	0.974	60%	0.603	S	S	*	*	S	Bend	trans	-64.5	18.6	175.8	-90.5	-91.1	0	0	0	114.3	H203	H203-F205 PolarHBondContact O-N 3.09Å
206	I	51.3	Low	45.4	Very low	32 Å²	32	105.6 Å²	105.6	16%	0.164	57%	0.573	C	S	.	*	S	Bend	trans	-141.6	120.4	-168.6	-54.8	169.8	0	0	0	108.5	P204 L215 V232 R260	P204-I206 PolarHBondContact O-N 3.27Å; I206-L215 HydrophobicContact CD1-CD1 4.04Å; I206-L215 HydrophobicContact CD1-CD2 4.15Å; I206-L215 HydrophobicContact CG1-CD1 4.16Å; I206-L215 HydrophobicContact CG2-CD1 3.6Å; I206-V232 HydrophobicContact CD1-CG1 4.21Å; I206-R260 VanDerWaalsContact CG2-NH1 3.28Å
207	T	40.1	Very low	46.7	Very low	103 Å²	103	104.5 Å²	104.5	63%	0.632	56%	0.563	S	S	*	*			trans	-66.9	140	-174.7	44.8	0	0	0	0	113.2	G209 T210	T207-G209 PolarHBondContact O-N 3.13Å; T207-T210 PolarHBondContact O-N 2.87Å; T207-T210 PolarHBondContact O-OG1 3.24Å; T207-T210 WeakPolarHBondContact OG1-CG2 3.37Å
208	V	41.3	Very low	47.6	Very low	157 Å²	157	101.3 Å²	101.3	95%	0.952	55%	0.551	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	126.3	172.7	-179.4	0	0	0	0	109
209	G	47.7	Very low	48.9	Very low	75 Å²	75	97.7 Å²	97.7	77%	0.773	53%	0.53	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.9	-6.3	-178	0	0	0	0	0	115.5	T207	T207-G209 PolarHBondContact O-N 3.13Å
210	T	56.4	Low	49.8	Very low	35 Å²	35	93.6 Å²	93.6	22%	0.215	50%	0.503	C	S	.	.			trans	-74.3	128.3	171.8	46	0	0	0	0	111.5	T207	T207-T210 PolarHBondContact O-N 2.87Å; T207-T210 PolarHBondContact O-OG1 3.24Å; T207-T210 WeakPolarHBondContact OG1-CG2 3.37Å
211	T	61	Low	50.8	Low	62 Å²	62	94.6 Å²	94.6	38%	0.38	51%	0.506	S	S	.	.			trans	-76.1	162.5	174.3	75.4	0	0	0	0	110.9	K213 D214 L215	T211-K213 PolarHBondContact O-N 3.29Å; T211-K213 PolarHBondContact OG1-N 3.04Å; T211-D214 VanDerWaalsContact CB-OD2 3.26Å; T211-D214 WeakPolarHBondContact CB-OD2 3.37Å; T211-D214 WeakPolarHBondContact CG2-OD2 3.39Å; T211-D214 PolarHBondContact N-OD2 3.42Å; T211-D214 PolarHBondContact O-N 3.23Å; T211-D214 PolarHBondContact OG1-N 3.08Å; T211-D214 PolarHBondContact OG1-OD1 3.46Å; T211-D214 PolarHBondContact OG1-OD2 2.92Å; T211-L215 PolarHBondContact O-N 2.98Å
212	L	62	Low	51.6	Low	20 Å²	20	91.3 Å²	91.3	11%	0.105	50%	0.5	C	S	.	.	H	α-helix	trans	-53.7	-38.8	172.3	175.9	57.7	0	0	0	111.9	I216 W259 E262 I298	L212-I216 HydrophobicContact CD1-CD1 3.7Å; L212-I216 HydrophobicContact CD1-CG1 4.16Å; L212-I216 HydrophobicContact CG-CD1 3.91Å; L212-I216 WeakPolarHBondContact O-CB 3.37Å; L212-I216 VanDerWaalsContact O-CG1 3.27Å; L212-I216 WeakPolarHBondContact O-CG1 3.37Å; L212-I216 PolarHBondContact O-N 3.43Å; L212-W259 HydrophobicContact CD1-CE3 3.76Å; L212-W259 HydrophobicContact CD1-CZ3 3.39Å; L212-E262 HydrophobicContact CB-CB 4.42Å; L212-E262 HydrophobicContact CB-CG 3.91Å; L212-E262 HydrophobicContact CD2-CB 4.17Å; L212-E262 HydrophobicContact CD2-CG 4.48Å; L212-I298 HydrophobicContact CD1-CD1 4.4Å; L212-I298 HydrophobicContact CD2-CD1 4.01Å
213	K	59.5	Low	52.3	Low	166 Å²	166	87 Å²	87	72%	0.722	49%	0.486	S	S	*	.	H	α-helix	trans	-66.3	-42.2	-179.6	-172.1	-178.7	176.9	-172.7	0	111.6	T211 Y217	T211-K213 PolarHBondContact O-N 3.29Å; T211-K213 PolarHBondContact OG1-N 3.04Å; K213-Y217 VanDerWaalsContact O-CB 3.26Å; K213-Y217 WeakPolarHBondContact O-CB 3.32Å; K213-Y217 PolarHBondContact O-N 2.77Å
214	D	59.6	Low	53.2	Low	65 Å²	65	82.1 Å²	82.1	35%	0.348	47%	0.473	S	S	.	.	H	α-helix	trans	-67.4	-46.7	178.9	-48.6	-41.4	0	0	0	110.3	T211 I216 Y217 D218	T211-D214 VanDerWaalsContact CB-OD2 3.26Å; T211-D214 WeakPolarHBondContact CB-OD2 3.37Å; T211-D214 WeakPolarHBondContact CG2-OD2 3.39Å; T211-D214 PolarHBondContact N-OD2 3.42Å; T211-D214 PolarHBondContact O-N 3.23Å; T211-D214 PolarHBondContact OG1-N 3.08Å; T211-D214 PolarHBondContact OG1-OD1 3.46Å; T211-D214 PolarHBondContact OG1-OD2 2.92Å; D214-I216 VanDerWaalsContact C-N 3.3Å; D214-I216 PolarHBondContact O-N 2.84Å; D214-Y217 PolarHBondContact O-N 2.89Å; D214-D218 WeakPolarHBondContact O-CB 3.28Å; D214-D218 PolarHBondContact O-N 3.28Å
215	L	62.4	Low	53.8	Low	14 Å²	14	78.6 Å²	78.6	7%	0.073	45%	0.452	C	S	.	.	H	α-helix	trans	-59.9	-39.3	178.4	-168.8	69.3	0	0	0	112.5	I206 T211 M219 L228 W259	I206-L215 HydrophobicContact CD1-CD1 4.04Å; I206-L215 HydrophobicContact CD1-CD2 4.15Å; I206-L215 HydrophobicContact CG1-CD1 4.16Å; I206-L215 HydrophobicContact CG2-CD1 3.6Å; T211-L215 PolarHBondContact O-N 2.98Å; L215-M219 HydrophobicContact CD1-CE 3.95Å; L215-M219 HydrophobicContact CG-CE 4.12Å; L215-M219 WeakPolarHBondContact O-CB 3.29Å; L215-M219 WeakPolarHBondContact O-CG 2.84Å; L215-M219 PolarHBondContact O-N 2.89Å; L215-L228 HydrophobicContact CD2-CD2 3.92Å; L215-L228 HydrophobicContact CG-CD2 3.89Å; L215-W259 HydrophobicContact CD2-CH2 4.11Å
216	I	62.4	Low	54.3	Low	19 Å²	19	68.9 Å²	68.9	10%	0.097	41%	0.412	C	S	.	.	H	α-helix	trans	-68.9	-41.8	174.3	-73.3	172.8	0	0	0	111.1	L212 D214 T220 R290	L212-I216 HydrophobicContact CD1-CD1 3.7Å; L212-I216 HydrophobicContact CD1-CG1 4.16Å; L212-I216 HydrophobicContact CG-CD1 3.91Å; L212-I216 WeakPolarHBondContact O-CB 3.37Å; L212-I216 VanDerWaalsContact O-CG1 3.27Å; L212-I216 WeakPolarHBondContact O-CG1 3.37Å; L212-I216 PolarHBondContact O-N 3.43Å; D214-I216 VanDerWaalsContact C-N 3.3Å; D214-I216 PolarHBondContact O-N 2.84Å; I216-T220 HydrophobicContact CG2-CG2 4.33Å; I216-T220 WeakPolarHBondContact O-CB 3.47Å; I216-T220 VanDerWaalsContact O-CG2 3.25Å; I216-T220 WeakPolarHBondContact O-CG2 3.27Å; I216-T220 PolarHBondContact O-N 3.15Å; I216-T220 PolarHBondContact O-OG1 3.12Å; I216-R290 VanDerWaalsContact CG2-CZ 3.47Å
217	Y	59.3	Low	54.4	Low	160 Å²	160	68.4 Å²	68.4	63%	0.627	42%	0.415	S	S	*	.	H	α-helix	trans	-65	-51.6	-179.4	-174.6	-97.3	0	0	0	111.4	K213 D214 M219 T220 T221	K213-Y217 VanDerWaalsContact O-CB 3.26Å; K213-Y217 WeakPolarHBondContact O-CB 3.32Å; K213-Y217 PolarHBondContact O-N 2.77Å; D214-Y217 PolarHBondContact O-N 2.89Å; Y217-M219 VanDerWaalsContact C-N 3.26Å; Y217-M219 PolarHBondContact O-N 2.66Å; Y217-T220 PolarHBondContact O-N 3.08Å; Y217-T220 PolarHBondContact O-OG1 3.34Å; Y217-T220 VanDerWaalsContact O-OG1 3.12Å; Y217-T221 PolarHBondContact O-N 2.87Å
218	D	56.1	Low	55.1	Low	93 Å²	93	63.7 Å²	63.7	50%	0.497	39%	0.386	S	S	.	.	H	α-helix	trans	-64.6	-28.7	-179	-66.9	-17.3	0	0	0	112.7	D214 T221	D214-D218 WeakPolarHBondContact O-CB 3.28Å; D214-D218 PolarHBondContact O-N 3.28Å; D218-T221 PolarHBondContact O-OG1 3.05Å
219	M	57.1	Low	55.7	Low	52 Å²	52	59.2 Å²	59.2	26%	0.256	36%	0.36	S	S	.	.	H	α-helix	trans	-94.5	-16	179.1	-61.5	-135.1	-86.8	0	0	114.5	L215 Y217 L228 P229 V232	L215-M219 HydrophobicContact CD1-CE 3.95Å; L215-M219 HydrophobicContact CG-CE 4.12Å; L215-M219 WeakPolarHBondContact O-CB 3.29Å; L215-M219 WeakPolarHBondContact O-CG 2.84Å; L215-M219 PolarHBondContact O-N 2.89Å; Y217-M219 VanDerWaalsContact C-N 3.26Å; Y217-M219 PolarHBondContact O-N 2.66Å; M219-L228 HydrophobicContact CE-CB 4.48Å; M219-L228 HydrophobicContact CE-CD2 3.55Å; M219-P229 HydrophobicContact CE-CG 4.12Å; M219-P229 VanDerWaalsContact SD-CD 3.56Å; M219-P229 HydrophobicContact SD-CG 3.68Å; M219-V232 HydrophobicContact CE-CG2 4.29Å
220	T	53.4	Low	55.9	Low	39 Å²	39	61.3 Å²	61.3	24%	0.239	35%	0.353	C	S	.	.	H	α-helix	trans	-80.2	-21.3	171.9	47.2	0	0	0	0	113.5	I216 Y217 S222	I216-T220 HydrophobicContact CG2-CG2 4.33Å; I216-T220 WeakPolarHBondContact O-CB 3.47Å; I216-T220 VanDerWaalsContact O-CG2 3.25Å; I216-T220 WeakPolarHBondContact O-CG2 3.27Å; I216-T220 PolarHBondContact O-N 3.15Å; I216-T220 PolarHBondContact O-OG1 3.12Å; Y217-T220 PolarHBondContact O-N 3.08Å; Y217-T220 PolarHBondContact O-OG1 3.34Å; Y217-T220 VanDerWaalsContact O-OG1 3.12Å; T220-S222 PolarHBondContact O-N 3.5Å
221	T	51.6	Low	55.2	Low	100 Å²	100	67.3 Å²	67.3	61%	0.613	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-19.3	173.2	55.9	0	0	0	0	113.6	Y217 D218 G223	Y217-T221 PolarHBondContact O-N 2.87Å; D218-T221 PolarHBondContact O-OG1 3.05Å; T221-G223 PolarHBondContact O-N 3.38Å
222	S	51.9	Low	54.9	Low	103 Å²	103	65.9 Å²	65.9	72%	0.72	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.1	13.6	179.8	-67.2	0	0	0	0	114.4	T220	T220-S222 PolarHBondContact O-N 3.5Å
223	G	46.5	Very low	54.6	Low	40 Å²	40	65.5 Å²	65.5	41%	0.412	37%	0.372	S	S	.	.	S	Bend	trans	94.5	1.6	155.9	0	0	0	0	0	119.3	T221	T221-G223 PolarHBondContact O-N 3.38Å
224	S	52.9	Low	54.5	Low	81 Å²	81	67 Å²	67	57%	0.566	37%	0.373	S	S	*	.			trans	-109.8	-14	175.7	-55.1	0	0	0	0	115.3	S226	S224-S226 PolarHBondContact O-N 2.9Å
225	G	53.2	Low	54.9	Low	13 Å²	13	67.3 Å²	67.3	13%	0.134	38%	0.377	C	S	.	.			trans	75.2	9.5	147.9	0	0	0	0	0	120.9
226	S	53.9	Low	55.9	Low	17 Å²	17	66.8 Å²	66.8	12%	0.119	37%	0.374	C	S	.	.	S	Bend	trans	-134.6	-19.1	-176.9	58.2	0	0	0	0	117.3	S224 Q285 T286	S224-S226 PolarHBondContact O-N 2.9Å; S226-Q285 WeakPolarHBondContact CB-O 3.44Å; S226-Q285 VanDerWaalsContact OG-C 3.32Å; S226-Q285 WeakPolarHBondContact OG-CA 3.43Å; S226-Q285 PolarHBondContact OG-O 3.37Å; S226-T286 WeakPolarHBondContact CB-O 3.16Å
227	G	54.6	Low	56.9	Low	23 Å²	23	65.9 Å²	65.9	24%	0.237	37%	0.37	C	S	.	.	S	Bend	trans	-175	-171.3	179.5	0	0	0	0	0	113.3
228	L	53.5	Low	58.1	Low	4 Å²	4	67.8 Å²	67.8	2%	0.021	38%	0.376	C	S	.	.	S	Bend	trans	-70	151.7	175.2	-60.4	167.7	0	0	0	110.7	L215 M219 V232 Q233 I236 W259 I298	L215-L228 HydrophobicContact CD2-CD2 3.92Å; L215-L228 HydrophobicContact CG-CD2 3.89Å; M219-L228 HydrophobicContact CE-CB 4.48Å; M219-L228 HydrophobicContact CE-CD2 3.55Å; L228-V232 HydrophobicContact CB-CB 4.38Å; L228-V232 HydrophobicContact CB-CG1 4.41Å; L228-V232 HydrophobicContact CD1-CG1 4.29Å; L228-Q233 WeakPolarHBondContact O-CG 3.37Å; L228-Q233 PolarHBondContact O-NE2 2.7Å; L228-I236 HydrophobicContact CD1-CD1 3.6Å; L228-W259 HydrophobicContact CD1-CH2 3.64Å; L228-W259 HydrophobicContact CD1-CZ3 4.05Å; L228-I298 HydrophobicContact CD1-CG2 3.91Å
229	P	55.3	Low	59.7	Low	63 Å²	63	67.2 Å²	67.2	41%	0.409	38%	0.376	S	S	.	.			trans	-57.9	148.7	178.4	-25.2	35	0	0	0	113.4	M219 L231 V232 Q233	M219-P229 HydrophobicContact CE-CG 4.12Å; M219-P229 VanDerWaalsContact SD-CD 3.56Å; M219-P229 HydrophobicContact SD-CG 3.68Å; P229-L231 PolarHBondContact O-N 3.09Å; P229-V232 WeakPolarHBondContact O-CA 3.49Å; P229-V232 PolarHBondContact O-N 3.42Å; P229-Q233 PolarHBondContact O-N 3.46Å; P229-Q233 VanDerWaalsContact O-N 3.16Å
230	L	51.3	Low	61.4	Low	119 Å²	119	65 Å²	65	62%	0.623	37%	0.365	S	S	*	.	H	α-helix	trans	-52.9	-31.5	-173.7	-68.8	171.5	0	0	0	115	Q233	L230-Q233 PolarHBondContact O-N 2.89Å
231	L	42.6	Very low	63.3	Low	160 Å²	160	69 Å²	69	84%	0.838	38%	0.384	S	S	*	.	H	α-helix	trans	-73.4	-26	177.3	-70	173.2	0	0	0	113.4	P229	P229-L231 PolarHBondContact O-N 3.09Å
232	V	53.9	Low	65.4	Low	33 Å²	33	66.8 Å²	66.8	20%	0.2	37%	0.368	C	S	.	.	H	α-helix	trans	-82.3	-29.8	172.6	-174.3	0	0	0	0	110.3	I206 M219 L228 P229 R234 T235 I236	I206-V232 HydrophobicContact CD1-CG1 4.21Å; M219-V232 HydrophobicContact CE-CG2 4.29Å; L228-V232 HydrophobicContact CB-CB 4.38Å; L228-V232 HydrophobicContact CB-CG1 4.41Å; L228-V232 HydrophobicContact CD1-CG1 4.29Å; P229-V232 WeakPolarHBondContact O-CA 3.49Å; P229-V232 PolarHBondContact O-N 3.42Å; V232-R234 VanDerWaalsContact C-N 3.33Å; V232-R234 PolarHBondContact O-N 3.02Å; V232-T235 PolarHBondContact O-OG1 3.43Å; V232-I236 HydrophobicContact CG1-CD1 4.27Å; V232-I236 WeakPolarHBondContact O-CD1 3.25Å; V232-I236 WeakPolarHBondContact O-CG1 3.49Å
233	Q	56	Low	67.5	Low	12 Å²	12	65.9 Å²	65.9	6%	0.056	35%	0.352	C	S	.	.	H	α-helix	trans	-62.4	-34.7	-179.2	-66.2	-171.5	12.3	0	0	113.7	L228 P229 L230 T235 A299 D301	L228-Q233 WeakPolarHBondContact O-CG 3.37Å; L228-Q233 PolarHBondContact O-NE2 2.7Å; P229-Q233 PolarHBondContact O-N 3.46Å; P229-Q233 VanDerWaalsContact O-N 3.16Å; L230-Q233 PolarHBondContact O-N 2.89Å; Q233-T235 VanDerWaalsContact C-N 3.29Å; Q233-T235 PolarHBondContact O-N 3.46Å; Q233-A299 HydrophobicContact CB-CB 4.3Å; Q233-A299 HydrophobicContact CG-CB 4Å; Q233-D301 WeakPolarHBondContact O-CB 3.47Å; Q233-D301 VanDerWaalsContact O-OD2 3.08Å
234	R	57.5	Low	69.7	Low	197 Å²	197	68.3 Å²	68.3	74%	0.743	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.3	9.1	-173.6	-68.6	-173.8	177	179.1	-0.4	116.7	V232 D301	V232-R234 VanDerWaalsContact C-N 3.33Å; V232-R234 PolarHBondContact O-N 3.02Å; R234-D301 WeakPolarHBondContact CA-OD1 3.4Å
235	T	68.2	Low	71.7	Confident	72 Å²	72	67 Å²	67	44%	0.442	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.1	-5.5	178.1	56.8	0	0	0	0	113.3	V232 Q233 R238	V232-T235 PolarHBondContact O-OG1 3.43Å; Q233-T235 VanDerWaalsContact C-N 3.29Å; Q233-T235 PolarHBondContact O-N 3.46Å; T235-R238 PolarHBondContact O-N 2.82Å
236	I	82	Confident	73.6	Confident	2 Å²	2	69.9 Å²	69.9	1%	0.01	36%	0.355	C	S	.	.	H	α-helix	trans	-66.1	-45.7	-173.9	-78.1	168.1	0	0	0	111.2	L228 V232 R238 T239 I240 W259 A299 D301 V314	L228-I236 HydrophobicContact CD1-CD1 3.6Å; V232-I236 HydrophobicContact CG1-CD1 4.27Å; V232-I236 WeakPolarHBondContact O-CD1 3.25Å; V232-I236 WeakPolarHBondContact O-CG1 3.49Å; I236-R238 PolarHBondContact O-N 3.47Å; I236-R238 VanDerWaalsContact O-N 3.12Å; I236-T239 PolarHBondContact O-N 3.5Å; I236-T239 PolarHBondContact O-OG1 3.04Å; I236-I240 HydrophobicContact CG2-CD1 3.48Å; I236-I240 VanDerWaalsContact CG2-CD1 3.48Å; I236-I240 HydrophobicContact CG2-CG1 4.07Å; I236-I240 WeakPolarHBondContact O-CG1 3.1Å; I236-I240 PolarHBondContact O-N 3.33Å; I236-I240 VanDerWaalsContact O-N 3.14Å; I236-W259 HydrophobicContact CD1-CH2 4.03Å; I236-W259 HydrophobicContact CD1-CZ2 4.09Å; I236-W259 HydrophobicContact CG1-CH2 4.22Å; I236-W259 HydrophobicContact CG1-CZ2 3.75Å; I236-A299 HydrophobicContact CD1-CB 3.54Å; I236-A299 HydrophobicContact CG2-CB 4.47Å; I236-D301 PolarHBondContact N-OD2 2.98Å; I236-V314 HydrophobicContact CG2-CG2 4.35Å
237	A	84.1	Confident	75.1	Confident	0 Å²	0	70.4 Å²	70.4	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-62.8	-22.9	-177.5	0	0	0	0	0	113.4	D301 K303 W312	A237-D301 HydrophobicContact CB-CB 3.97Å; A237-D301 WeakPolarHBondContact CB-OD2 3.44Å; A237-D301 PolarHBondContact N-OD2 3.01Å; A237-K303 HydrophobicContact CB-CB 4.14Å; A237-K303 HydrophobicContact CB-CD 4.38Å; A237-K303 WeakPolarHBondContact O-CD 3.46Å; A237-K303 WeakPolarHBondContact O-CE 3.37Å; A237-K303 PolarHBondContact O-NZ 3.3Å; A237-W312 HydrophobicContact CB-CD2 3.78Å; A237-W312 HydrophobicContact CB-CE3 3.46Å; A237-W312 VanDerWaalsContact CB-CE3 3.46Å; A237-W312 HydrophobicContact CB-CG 4.26Å; A237-W312 HydrophobicContact CB-CZ3 3.98Å
238	R	84.3	Confident	76.6	Confident	200 Å²	200	77.3 Å²	77.3	76%	0.755	39%	0.387	S	S	*	.	H	α-helix	trans	-71.6	-34.4	172.1	-60.6	-175.8	-178.9	-168.7	-1.6	112.3	T235 I236	T235-R238 PolarHBondContact O-N 2.82Å; I236-R238 PolarHBondContact O-N 3.47Å; I236-R238 VanDerWaalsContact O-N 3.12Å
239	T	89.3	Confident	77.4	Confident	82 Å²	82	79.2 Å²	79.2	50%	0.503	41%	0.407	S	S	.	.	H	α-helix	trans	-90.9	-6.4	-177.8	64.3	0	0	0	0	114.6	I236 W259	I236-T239 PolarHBondContact O-N 3.5Å; I236-T239 PolarHBondContact O-OG1 3.04Å; T239-W259 VanDerWaalsContact OG1-CD1 3.31Å; T239-W259 PolarHBondContact OG1-NE1 2.97Å
240	I	93.5	Very high	78.1	Confident	4 Å²	4	84 Å²	84	2%	0.021	42%	0.417	C	S	.	.			trans	-89	129.8	175.3	-67.2	172.5	0	0	0	110.6	I236 L242 W259 V264 V266 W312 V314	I236-I240 HydrophobicContact CG2-CD1 3.48Å; I236-I240 VanDerWaalsContact CG2-CD1 3.48Å; I236-I240 HydrophobicContact CG2-CG1 4.07Å; I236-I240 WeakPolarHBondContact O-CG1 3.1Å; I236-I240 PolarHBondContact O-N 3.33Å; I236-I240 VanDerWaalsContact O-N 3.14Å; I240-L242 HydrophobicContact CG2-CD2 4.38Å; I240-W259 HydrophobicContact CG1-CB 3.94Å; I240-W259 HydrophobicContact CG1-CG 3.9Å; I240-V264 HydrophobicContact CD1-CG2 4.28Å; I240-V264 HydrophobicContact CG2-CG2 4.32Å; I240-V266 HydrophobicContact CD1-CG2 4.37Å; I240-V266 HydrophobicContact CG2-CG2 4.06Å; I240-W312 HydrophobicContact CB-CZ3 3.88Å; I240-W312 HydrophobicContact CD1-CZ3 4.34Å; I240-W312 HydrophobicContact CG2-CH2 4.49Å; I240-W312 HydrophobicContact CG2-CZ3 3.86Å; I240-V314 HydrophobicContact CD1-CB 4.43Å; I240-V314 HydrophobicContact CD1-CG1 3.77Å; I240-V314 HydrophobicContact CD1-CG2 3.73Å
241	I	94.1	Very high	79.3	Confident	124 Å²	124	79.4 Å²	79.4	64%	0.636	39%	0.392	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97	115.4	170.7	-57.9	172.3	0	0	0	107.9	G257 K258	I241-G257 CarbonylContact O-C 3.53Å; I241-G257 WeakPolarHBondContact O-CA 3.45Å; I241-K258 PolarHBondContact N-O 3.05Å; I241-K258 VanDerWaalsContact N-O 3.13Å; I241-K258 PolarHBondContact O-N 3.45Å
242	L	95.1	Very high	81.2	Confident	54 Å²	54	72.7 Å²	72.7	28%	0.283	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	143.6	171.5	-60.3	179.3	0	0	0	109.9	I240 W255 V266 I268 W312	I240-L242 HydrophobicContact CG2-CD2 4.38Å; L242-W255 HydrophobicContact CB-CD2 4.5Å; L242-W255 HydrophobicContact CB-CE3 3.96Å; L242-W255 HydrophobicContact CD1-CD2 4.27Å; L242-W255 HydrophobicContact CD1-CE3 4.44Å; L242-W255 HydrophobicContact CD1-CG 4.41Å; L242-W255 HydrophobicContact CD2-CB 3.87Å; L242-W255 HydrophobicContact CD2-CG 4.35Å; L242-V266 HydrophobicContact CD2-CB 4.06Å; L242-V266 HydrophobicContact CD2-CG1 4.23Å; L242-V266 HydrophobicContact CD2-CG2 4.04Å; L242-I268 HydrophobicContact CD1-CD1 3.64Å; L242-I268 HydrophobicContact CD2-CD1 4.27Å; L242-W312 HydrophobicContact CD1-CH2 3.88Å; L242-W312 HydrophobicContact CD1-CZ2 3.83Å; L242-W312 HydrophobicContact CD2-CH2 3.57Å; L242-W312 HydrophobicContact CD2-CZ2 4.2Å; L242-W312 HydrophobicContact CD2-CZ3 4Å; L242-W312 HydrophobicContact CG-CH2 3.67Å; L242-W312 HydrophobicContact CG-CZ2 4.16Å
243	Q	94.8	Very high	83	Confident	84 Å²	84	73.6 Å²	73.6	39%	0.393	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	-71.3	-179.2	-65.4	179.7	-35.8	0	0	111.3	R256 E263	Q243-R256 PolarHBondContact N-O 3.15Å; Q243-E263 PolarHBondContact OE1-OE2 3.19Å
244	E	94.6	Very high	84.8	Confident	91 Å²	91	74.8 Å²	74.8	43%	0.425	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	142.8	-173.9	58.6	-176.1	161.7	0	0	111.1	I246 W255 R256	E244-I246 HydrophobicContact CG-CG2 3.94Å; E244-I246 PolarHBondContact O-N 3.38Å; E244-W255 VanDerWaalsContact C-CE3 3.41Å; E244-W255 CarbonylContact O-C 3.52Å; E244-W255 WeakPolarHBondContact O-CA 3.49Å; E244-R256 HydrophobicContact CG-CB 3.86Å; E244-R256 PolarHBondContact N-O 3.16Å; E244-R256 PolarHBondContact O-N 3Å; E244-R256 WeakPolarHBondContact OE1-CD 3.45Å; E244-R256 IonicContact OE1-CZ 2.66Å; E244-R256 IonicContact OE1-NE 3.51Å; E244-R256 IonicContact OE1-NH1 3.64Å; E244-R256 PolarHBondContact OE1-NH1 3.24Å
245	S	94.6	Very high	86.7	Confident	52 Å²	52	68.5 Å²	68.5	36%	0.364	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	115.1	170.2	162	0	0	0	0	108.9	E253	S245-E253 PolarHBondContact OG-OE1 3.49Å
246	I	91.9	Very high	88.1	Confident	74 Å²	74	68 Å²	68	38%	0.379	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	-11.5	-177.1	59.9	175.1	0	0	0	113.6	E244 V254 R256 Y317	E244-I246 HydrophobicContact CG-CG2 3.94Å; E244-I246 PolarHBondContact O-N 3.38Å; I246-V254 HydrophobicContact CD1-CG1 3.89Å; I246-V254 HydrophobicContact CG1-CB 4.13Å; I246-V254 HydrophobicContact CG1-CG1 3.83Å; I246-V254 VanDerWaalsContact CG1-O 3.27Å; I246-V254 WeakPolarHBondContact CG1-O 3.32Å; I246-V254 PolarHBondContact N-O 3.45Å; I246-R256 HydrophobicContact CD1-CB 4.42Å; I246-R256 HydrophobicContact CG2-CB 3.74Å; I246-Y317 HydrophobicContact CD1-CD2 4.09Å; I246-Y317 HydrophobicContact CD1-CE2 3.76Å
247	G	86.6	Confident	88.7	Confident	29 Å²	29	68 Å²	68	30%	0.299	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-178	161.7	174.2	0	0	0	0	0	114.4	V254	G247-V254 PolarHBondContact N-O 3.08Å; G247-V254 VanDerWaalsContact N-O 3.15Å; G247-V254 PolarHBondContact O-N 2.95Å
248	K	84.6	Confident	89.3	Confident	168 Å²	168	72 Å²	72	73%	0.73	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-117.7	114.9	171.9	-73	177.3	177.4	178	0	109.1	E253	K248-E253 WeakPolarHBondContact CE-OE1 3.36Å; K248-E253 HydrophobicContact CG-CB 4.49Å; K248-E253 HydrophobicContact CG-CG 4.02Å; K248-E253 IonicContact NZ-OE1 2.68Å; K248-E253 PolarHBondContact NZ-OE1 3.34Å
249	G	71.4	Confident	89.6	Confident	43 Å²	43	62.8 Å²	62.8	44%	0.443	32%	0.32	S	S	.	.			trans	-91.3	-176	176.2	0	0	0	0	0	111.9	F251 G252	G249-F251 VanDerWaalsContact C-N 3.32Å; G249-F251 PolarHBondContact O-N 3.49Å; G249-G252 WeakPolarHBondContact CA-O 3.42Å; G249-G252 PolarHBondContact N-O 2.85Å
250	R	70.6	Confident	89.5	Confident	163 Å²	163	64.5 Å²	64.5	62%	0.615	32%	0.318	S	S	*	.	S	Bend	trans	-63.6	-34.6	-180	-178.7	177	172	-169.6	-2.1	113.7
251	F	75.9	Confident	89.1	Confident	24 Å²	24	66.5 Å²	66.5	11%	0.105	34%	0.339	C	S	.	.	S	Bend	trans	-117.7	-1	-168.5	-51.3	-64.9	0	0	0	113.8	G249 F269 E273 S276 L389	G249-F251 VanDerWaalsContact C-N 3.32Å; G249-F251 PolarHBondContact O-N 3.49Å; F251-F269 HydrophobicContact CB-CD1 3.74Å; F251-F269 HydrophobicContact CB-CE1 3.73Å; F251-F269 WeakPolarHBondContact O-CD1 3.42Å; F251-E273 HydrophobicContact CB-CG 4.44Å; F251-E273 VanDerWaalsContact CD1-OE2 3.28Å; F251-E273 WeakPolarHBondContact CD1-OE2 3.2Å; F251-S276 WeakPolarHBondContact CD1-OG 3.23Å; F251-L389 HydrophobicContact CZ-CD2 4.22Å
252	G	82.6	Confident	88.9	Confident	19 Å²	19	65.1 Å²	65.1	20%	0.196	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.3	172.9	-170.2	0	0	0	0	0	114	G249 I268	G249-G252 WeakPolarHBondContact CA-O 3.42Å; G249-G252 PolarHBondContact N-O 2.85Å; G252-I268 CarbonylContact C-O 3.54Å; G252-I268 WeakPolarHBondContact CA-O 3.46Å
253	E	91.5	Very high	88.9	Confident	51 Å²	51	65 Å²	65	24%	0.238	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	136.9	176.8	-169.3	172.1	-131	0	0	109.5	S245 K248 W255 I268	S245-E253 PolarHBondContact OG-OE1 3.49Å; K248-E253 WeakPolarHBondContact CE-OE1 3.36Å; K248-E253 HydrophobicContact CG-CB 4.49Å; K248-E253 HydrophobicContact CG-CG 4.02Å; K248-E253 IonicContact NZ-OE1 2.68Å; K248-E253 PolarHBondContact NZ-OE1 3.34Å; E253-W255 VanDerWaalsContact CD-NE1 3.26Å; E253-W255 PolarHBondContact OE2-NE1 3.25Å; E253-I268 PolarHBondContact N-O 2.99Å; E253-I268 PolarHBondContact O-N 3.28Å
254	V	94.7	Very high	89	Confident	37 Å²	37	61 Å²	61	22%	0.224	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	122.5	176	-169.6	0	0	0	0	108.2	I246 G247 A265 V266 K267	I246-V254 HydrophobicContact CD1-CG1 3.89Å; I246-V254 HydrophobicContact CG1-CB 4.13Å; I246-V254 HydrophobicContact CG1-CG1 3.83Å; I246-V254 VanDerWaalsContact CG1-O 3.27Å; I246-V254 WeakPolarHBondContact CG1-O 3.32Å; I246-V254 PolarHBondContact N-O 3.45Å; G247-V254 PolarHBondContact N-O 3.08Å; G247-V254 VanDerWaalsContact N-O 3.15Å; G247-V254 PolarHBondContact O-N 2.95Å; V254-A265 HydrophobicContact CG1-CB 4.48Å; V254-V266 WeakPolarHBondContact CA-O 3.48Å; V254-K267 HydrophobicContact CG2-CB 4.42Å; V254-K267 HydrophobicContact CG2-CG 4.14Å
255	W	96.2	Very high	89.1	Confident	66 Å²	66	57.3 Å²	57.3	25%	0.25	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	145.3	176.4	-73.1	72.9	0	0	0	110.4	L242 E244 E253 A265 V266 I268	L242-W255 HydrophobicContact CB-CD2 4.5Å; L242-W255 HydrophobicContact CB-CE3 3.96Å; L242-W255 HydrophobicContact CD1-CD2 4.27Å; L242-W255 HydrophobicContact CD1-CE3 4.44Å; L242-W255 HydrophobicContact CD1-CG 4.41Å; L242-W255 HydrophobicContact CD2-CB 3.87Å; L242-W255 HydrophobicContact CD2-CG 4.35Å; E244-W255 VanDerWaalsContact C-CE3 3.41Å; E244-W255 CarbonylContact O-C 3.52Å; E244-W255 WeakPolarHBondContact O-CA 3.49Å; E253-W255 VanDerWaalsContact CD-NE1 3.26Å; E253-W255 PolarHBondContact OE2-NE1 3.25Å; W255-A265 CarbonylContact O-C 3.39Å; W255-A265 WeakPolarHBondContact O-CA 3.39Å; W255-V266 HydrophobicContact CB-CB 4.47Å; W255-V266 PolarHBondContact N-O 3.01Å; W255-V266 PolarHBondContact O-N 3.07Å; W255-I268 HydrophobicContact CG-CD1 4.15Å
256	R	97	Very high	89.2	Confident	62 Å²	62	54.8 Å²	54.8	23%	0.234	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	136.2	156.7	-179.9	-174.6	172.2	-171.6	-4.2	108.1	Q243 E244 I246 E263 Y317	Q243-R256 PolarHBondContact N-O 3.15Å; E244-R256 HydrophobicContact CG-CB 3.86Å; E244-R256 PolarHBondContact N-O 3.16Å; E244-R256 PolarHBondContact O-N 3Å; E244-R256 WeakPolarHBondContact OE1-CD 3.45Å; E244-R256 IonicContact OE1-CZ 2.66Å; E244-R256 IonicContact OE1-NE 3.51Å; E244-R256 IonicContact OE1-NH1 3.64Å; E244-R256 PolarHBondContact OE1-NH1 3.24Å; I246-R256 HydrophobicContact CD1-CB 4.42Å; I246-R256 HydrophobicContact CG2-CB 3.74Å; R256-E263 IonicContact CZ-OE1 2.72Å; R256-E263 IonicContact CZ-OE2 3.47Å; R256-E263 IonicContact NE-OE1 3.67Å; R256-E263 IonicContact NE-OE2 3.06Å; R256-E263 PolarHBondContact NE-OE2 3.43Å; R256-E263 IonicContact NH2-OE1 2.79Å; R256-E263 PolarHBondContact NH2-OE1 3.2Å; R256-E263 IonicContact NH2-OE2 3.46Å; R256-E263 PolarHBondContact NH2-OE2 3.06Å; R256-Y317 HydrophobicContact CB-CE2 4.26Å; R256-Y317 HydrophobicContact CG-CD2 4.27Å; R256-Y317 HydrophobicContact CG-CE2 4.1Å
257	G	96.3	Very high	89.3	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	169.3	176.2	0	0	0	0	0	111.5	I241 V264	I241-G257 CarbonylContact O-C 3.53Å; I241-G257 WeakPolarHBondContact O-CA 3.45Å; G257-V264 PolarHBondContact N-O 3.37Å; G257-V264 WeakPolarHBondContact O-CG2 3.34Å; G257-V264 PolarHBondContact O-N 3.42Å
258	K	95.3	Very high	89.7	Confident	84 Å²	84	51.9 Å²	51.9	37%	0.365	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	127.5	-178.8	-163.1	158	-170.3	152.5	0	110.5	I241 G261 E262	I241-K258 PolarHBondContact N-O 3.05Å; I241-K258 VanDerWaalsContact N-O 3.13Å; I241-K258 PolarHBondContact O-N 3.45Å; K258-G261 WeakPolarHBondContact CE-O 3.4Å; K258-E262 CarbonylContact C-O 3.59Å; K258-E262 WeakPolarHBondContact CA-O 3.42Å
259	W	91.9	Very high	90.1	Very high	7 Å²	7	44 Å²	44	3%	0.027	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	119.8	177	-167.6	44.8	0	0	0	110.5	L212 L215 L228 I236 T239 I240 G261 E262 V264 I298	L212-W259 HydrophobicContact CD1-CE3 3.76Å; L212-W259 HydrophobicContact CD1-CZ3 3.39Å; L215-W259 HydrophobicContact CD2-CH2 4.11Å; L228-W259 HydrophobicContact CD1-CH2 3.64Å; L228-W259 HydrophobicContact CD1-CZ3 4.05Å; I236-W259 HydrophobicContact CD1-CH2 4.03Å; I236-W259 HydrophobicContact CD1-CZ2 4.09Å; I236-W259 HydrophobicContact CG1-CH2 4.22Å; I236-W259 HydrophobicContact CG1-CZ2 3.75Å; T239-W259 VanDerWaalsContact OG1-CD1 3.31Å; T239-W259 PolarHBondContact OG1-NE1 2.97Å; I240-W259 HydrophobicContact CG1-CB 3.94Å; I240-W259 HydrophobicContact CG1-CG 3.9Å; W259-G261 PolarHBondContact O-N 3.35Å; W259-E262 PolarHBondContact N-O 2.91Å; W259-E262 PolarHBondContact O-N 3.04Å; W259-V264 HydrophobicContact CB-CG1 4Å; W259-V264 HydrophobicContact CB-CG2 4.09Å; W259-I298 HydrophobicContact CE3-CG2 4.25Å; W259-I298 HydrophobicContact CZ3-CG2 3.77Å
260	R	86.3	Confident	91	Very high	118 Å²	118	44.4 Å²	44.4	45%	0.445	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.4	27.3	-179.8	-62.3	179.5	165.2	-141.2	-3	115	I206	I206-R260 VanDerWaalsContact CG2-NH1 3.28Å
261	G	85.8	Confident	91.8	Very high	46 Å²	46	39.7 Å²	39.7	47%	0.474	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	96.7	-18	-176.6	0	0	0	0	0	114.9	K258 W259	K258-G261 WeakPolarHBondContact CE-O 3.4Å; W259-G261 PolarHBondContact O-N 3.35Å
262	E	89.7	Confident	92.5	Very high	95 Å²	95	49.5 Å²	49.5	44%	0.444	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	153.9	179.1	-64.7	-60.8	149.6	0	0	112.5	L212 K258 W259	L212-E262 HydrophobicContact CB-CB 4.42Å; L212-E262 HydrophobicContact CB-CG 3.91Å; L212-E262 HydrophobicContact CD2-CB 4.17Å; L212-E262 HydrophobicContact CD2-CG 4.48Å; K258-E262 CarbonylContact C-O 3.59Å; K258-E262 WeakPolarHBondContact CA-O 3.42Å; W259-E262 PolarHBondContact N-O 2.91Å; W259-E262 PolarHBondContact O-N 3.04Å
263	E	95.2	Very high	92.8	Very high	53 Å²	53	51.7 Å²	51.7	25%	0.248	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	127.2	178	-62.8	-72.5	171.4	0	0	110.5	Q243 R256 Y317	Q243-E263 PolarHBondContact OE1-OE2 3.19Å; R256-E263 IonicContact CZ-OE1 2.72Å; R256-E263 IonicContact CZ-OE2 3.47Å; R256-E263 IonicContact NE-OE1 3.67Å; R256-E263 IonicContact NE-OE2 3.06Å; R256-E263 PolarHBondContact NE-OE2 3.43Å; R256-E263 IonicContact NH2-OE1 2.79Å; R256-E263 PolarHBondContact NH2-OE1 3.2Å; R256-E263 IonicContact NH2-OE2 3.46Å; R256-E263 PolarHBondContact NH2-OE2 3.06Å; E263-Y317 HydrophobicContact CB-CD1 3.78Å; E263-Y317 HydrophobicContact CB-CG 4.22Å; E263-Y317 HydrophobicContact CG-CD1 4.49Å; E263-Y317 WeakPolarHBondContact O-CB 3.37Å
264	V	96.5	Very high	92.7	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	148.6	179.5	-64.9	0	0	0	0	111.2	I240 G257 W259 V266 I298 V314	I240-V264 HydrophobicContact CD1-CG2 4.28Å; I240-V264 HydrophobicContact CG2-CG2 4.32Å; G257-V264 PolarHBondContact N-O 3.37Å; G257-V264 WeakPolarHBondContact O-CG2 3.34Å; G257-V264 PolarHBondContact O-N 3.42Å; W259-V264 HydrophobicContact CB-CG1 4Å; W259-V264 HydrophobicContact CB-CG2 4.09Å; V264-V266 HydrophobicContact CG2-CG2 4.21Å; V264-I298 HydrophobicContact CG1-CD1 3.79Å; V264-V314 HydrophobicContact CB-CG1 4.07Å; V264-V314 HydrophobicContact CG1-CG1 4.39Å; V264-V314 HydrophobicContact CG2-CG1 4.27Å
265	A	96.6	Very high	92.4	Very high	12 Å²	12	63.8 Å²	63.8	10%	0.099	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	135.3	168.3	0	0	0	0	0	109.3	V254 W255 V314 S315 Y317	V254-A265 HydrophobicContact CG1-CB 4.48Å; W255-A265 CarbonylContact O-C 3.39Å; W255-A265 WeakPolarHBondContact O-CA 3.39Å; A265-V314 WeakPolarHBondContact O-CA 3.4Å; A265-S315 PolarHBondContact N-O 3.15Å; A265-S315 PolarHBondContact O-N 3.06Å; A265-Y317 HydrophobicContact CB-CD2 4.47Å
266	V	95.9	Very high	92.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	107.5	-178.5	-174.1	0	0	0	0	108.8	I240 L242 V254 W255 V264 I268 W312 L313	I240-V266 HydrophobicContact CD1-CG2 4.37Å; I240-V266 HydrophobicContact CG2-CG2 4.06Å; L242-V266 HydrophobicContact CD2-CB 4.06Å; L242-V266 HydrophobicContact CD2-CG1 4.23Å; L242-V266 HydrophobicContact CD2-CG2 4.04Å; V254-V266 WeakPolarHBondContact CA-O 3.48Å; W255-V266 HydrophobicContact CB-CB 4.47Å; W255-V266 PolarHBondContact N-O 3.01Å; W255-V266 PolarHBondContact O-N 3.07Å; V264-V266 HydrophobicContact CG2-CG2 4.21Å; V266-I268 HydrophobicContact CG1-CD1 4.26Å; V266-I268 HydrophobicContact CG1-CG1 3.73Å; V266-W312 HydrophobicContact CG1-CB 4.34Å; V266-W312 HydrophobicContact CG1-CD2 3.6Å; V266-W312 HydrophobicContact CG1-CE3 3.33Å; V266-W312 HydrophobicContact CG1-CG 4.06Å; V266-W312 HydrophobicContact CG1-CH2 4.44Å; V266-W312 HydrophobicContact CG1-CZ3 3.78Å; V266-W312 HydrophobicContact CG2-CE3 4.47Å; V266-W312 HydrophobicContact CG2-CZ3 4.36Å; V266-L313 WeakPolarHBondContact CA-O 3.38Å
267	K	95.3	Very high	91.9	Very high	23 Å²	23	60.5 Å²	60.5	10%	0.1	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	113.2	172	-168.9	177.8	-171	-172.1	0	108.3	V254 F269 E280 L313 D386	V254-K267 HydrophobicContact CG2-CB 4.42Å; V254-K267 HydrophobicContact CG2-CG 4.14Å; K267-F269 HydrophobicContact CB-CE2 4.03Å; K267-F269 HydrophobicContact CD-CE1 4.45Å; K267-F269 HydrophobicContact CD-CE2 3.79Å; K267-F269 HydrophobicContact CD-CZ 3.54Å; K267-F269 HydrophobicContact CG-CD2 4.31Å; K267-F269 HydrophobicContact CG-CE2 3.59Å; K267-F269 HydrophobicContact CG-CZ 3.82Å; K267-F269 WeakPolarHBondContact O-CD2 3.5Å; K267-E280 IonicContact NZ-OE1 2.65Å; K267-E280 PolarHBondContact NZ-OE1 3.4Å; K267-E280 IonicContact NZ-OE2 3.27Å; K267-E280 PolarHBondContact NZ-OE2 2.86Å; K267-L313 HydrophobicContact CB-CB 4.34Å; K267-L313 PolarHBondContact N-O 3.26Å; K267-L313 PolarHBondContact O-N 3.32Å; K267-D386 IonicContact NZ-OD1 2.67Å; K267-D386 PolarHBondContact NZ-OD1 2.56Å
268	I	94.1	Very high	91.7	Very high	18 Å²	18	66.2 Å²	66.2	9%	0.092	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	118.9	-175.8	-54.7	-178.7	0	0	0	109.1	L242 G252 E253 W255 V266 Q310 W312	L242-I268 HydrophobicContact CD1-CD1 3.64Å; L242-I268 HydrophobicContact CD2-CD1 4.27Å; G252-I268 CarbonylContact C-O 3.54Å; G252-I268 WeakPolarHBondContact CA-O 3.46Å; E253-I268 PolarHBondContact N-O 2.99Å; E253-I268 PolarHBondContact O-N 3.28Å; W255-I268 HydrophobicContact CG-CD1 4.15Å; V266-I268 HydrophobicContact CG1-CD1 4.26Å; V266-I268 HydrophobicContact CG1-CG1 3.73Å; I268-Q310 HydrophobicContact CG2-CB 3.9Å; I268-Q310 HydrophobicContact CG2-CG 4.13Å; I268-W312 HydrophobicContact CD1-CZ2 4Å; I268-W312 HydrophobicContact CG1-CD2 4.49Å; I268-W312 HydrophobicContact CG1-CG 4.48Å
269	F	93.3	Very high	91.5	Very high	2 Å²	2	64.4 Å²	64.4	1%	0.009	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	149.2	178.5	-56.5	-111.6	0	0	0	110.2	F251 K267 E273 W277 E280 L311 L313	F251-F269 HydrophobicContact CB-CD1 3.74Å; F251-F269 HydrophobicContact CB-CE1 3.73Å; F251-F269 WeakPolarHBondContact O-CD1 3.42Å; K267-F269 HydrophobicContact CB-CE2 4.03Å; K267-F269 HydrophobicContact CD-CE1 4.45Å; K267-F269 HydrophobicContact CD-CE2 3.79Å; K267-F269 HydrophobicContact CD-CZ 3.54Å; K267-F269 HydrophobicContact CG-CD2 4.31Å; K267-F269 HydrophobicContact CG-CE2 3.59Å; K267-F269 HydrophobicContact CG-CZ 3.82Å; K267-F269 WeakPolarHBondContact O-CD2 3.5Å; F269-E273 HydrophobicContact CB-CB 4.29Å; F269-E273 HydrophobicContact CD1-CB 4.3Å; F269-W277 HydrophobicContact CB-CB 4.19Å; F269-W277 HydrophobicContact CD1-CB 3.97Å; F269-W277 HydrophobicContact CD2-CB 3.96Å; F269-W277 AromaticContact CD2-CD1 3.61Å; F269-W277 HydrophobicContact CD2-CG 4.16Å; F269-W277 HydrophobicContact CE1-CB 4.24Å; F269-W277 HydrophobicContact CE2-CB 4.24Å; F269-W277 AromaticContact CE2-CD1 3.76Å; F269-W277 HydrophobicContact CE2-CG 4.42Å; F269-W277 HydrophobicContact CG-CB 3.81Å; F269-W277 HydrophobicContact CG-CG 4.45Å; F269-W277 HydrophobicContact CZ-CB 4.36Å; F269-E280 WeakPolarHBondContact CZ-OE2 3.49Å; F269-L311 HydrophobicContact CB-CB 4.24Å; F269-L311 PolarHBondContact N-O 3.03Å; F269-L311 PolarHBondContact O-N 3.46Å; F269-L311 VanDerWaalsContact O-N 3.1Å; F269-L313 HydrophobicContact CE2-CB 3.99Å
270	S	90.8	Very high	91.6	Very high	52 Å²	52	64.2 Å²	64.2	36%	0.364	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	151.4	165.1	-178.6	0	0	0	0	110	R272 E273	S270-R272 PolarHBondContact O-N 3.22Å; S270-R272 VanDerWaalsContact O-N 3.08Å; S270-R272 PolarHBondContact OG-N 2.76Å; S270-E273 WeakPolarHBondContact O-CA 3.47Å; S270-E273 PolarHBondContact O-N 2.74Å
271	S	88	Confident	91.9	Very high	64 Å²	64	58.8 Å²	58.8	45%	0.448	28%	0.281	S	S	.	.	G	3₁₀ helix	trans	-55.3	-22.2	167.7	55.1	0	0	0	0	113.6	E273 E274	S271-E273 PolarHBondContact O-N 3.29Å; S271-E274 WeakPolarHBondContact O-CB 2.73Å; S271-E274 PolarHBondContact O-N 2.94Å
272	R	88.7	Confident	92.2	Very high	231 Å²	231	59.7 Å²	59.7	87%	0.872	27%	0.272	S	S	*	.	G	3₁₀ helix	trans	-68.4	-22	172	-61.5	-177.9	-178	-179.4	1.3	113.7	S270	S270-R272 PolarHBondContact O-N 3.22Å; S270-R272 VanDerWaalsContact O-N 3.08Å; S270-R272 PolarHBondContact OG-N 2.76Å
273	E	89.2	Confident	92.4	Very high	64 Å²	64	55.2 Å²	55.2	30%	0.299	25%	0.251	S	S	.	.	G	3₁₀ helix	trans	-102.9	20.4	-178.8	-70.6	-68.5	167.1	0	0	112.1	F251 F269 S270 S271 R275 S276 W277	F251-E273 HydrophobicContact CB-CG 4.44Å; F251-E273 VanDerWaalsContact CD1-OE2 3.28Å; F251-E273 WeakPolarHBondContact CD1-OE2 3.2Å; F269-E273 HydrophobicContact CB-CB 4.29Å; F269-E273 HydrophobicContact CD1-CB 4.3Å; S270-E273 WeakPolarHBondContact O-CA 3.47Å; S270-E273 PolarHBondContact O-N 2.74Å; S271-E273 PolarHBondContact O-N 3.29Å; E273-R275 VanDerWaalsContact C-N 3.25Å; E273-R275 PolarHBondContact O-N 2.88Å; E273-S276 WeakPolarHBondContact O-CA 3.21Å; E273-S276 WeakPolarHBondContact O-CB 3.22Å; E273-S276 PolarHBondContact O-N 2.91Å; E273-S276 WeakPolarHBondContact OE2-CB 3.11Å; E273-S276 PolarHBondContact OE2-OG 3.32Å; E273-W277 PolarHBondContact O-N 3.29Å
274	E	90.4	Very high	92.4	Very high	118 Å²	118	53 Å²	53	55%	0.551	24%	0.241	S	C	*	.	H	α-helix	trans	-52.6	-39.8	-178.9	-179	179.8	-152.9	0	0	113.1	S271 S276 W277 F278 L311	S271-E274 WeakPolarHBondContact O-CB 2.73Å; S271-E274 PolarHBondContact O-N 2.94Å; E274-S276 VanDerWaalsContact C-N 3.31Å; E274-S276 PolarHBondContact O-N 2.69Å; E274-W277 PolarHBondContact O-N 3.47Å; E274-F278 WeakPolarHBondContact O-CB 3.33Å; E274-F278 PolarHBondContact O-N 3.48Å; E274-L311 HydrophobicContact CB-CD1 3.77Å; E274-L311 HydrophobicContact CG-CD1 3.98Å
275	R	88.9	Confident	92.2	Very high	224 Å²	224	56 Å²	56	85%	0.845	26%	0.255	S	S	*	.	H	α-helix	trans	-63.6	-37.5	177.1	-65.1	-179.4	-178.1	169.5	0.2	112.5	E273 R279	E273-R275 VanDerWaalsContact C-N 3.25Å; E273-R275 PolarHBondContact O-N 2.88Å; R275-R279 WeakPolarHBondContact O-CB 3.5Å; R275-R279 PolarHBondContact O-N 2.61Å; R275-R279 VanDerWaalsContact O-N 3.09Å
276	S	89.5	Confident	91.9	Very high	23 Å²	23	55.8 Å²	55.8	16%	0.161	25%	0.253	C	S	.	.	H	α-helix	trans	-71.5	-46	179.4	-53	0	0	0	0	110.3	F251 E273 E274 E280	F251-S276 WeakPolarHBondContact CD1-OG 3.23Å; E273-S276 WeakPolarHBondContact O-CA 3.21Å; E273-S276 WeakPolarHBondContact O-CB 3.22Å; E273-S276 PolarHBondContact O-N 2.91Å; E273-S276 WeakPolarHBondContact OE2-CB 3.11Å; E273-S276 PolarHBondContact OE2-OG 3.32Å; E274-S276 VanDerWaalsContact C-N 3.31Å; E274-S276 PolarHBondContact O-N 2.69Å; S276-E280 WeakPolarHBondContact O-CB 3.35Å; S276-E280 PolarHBondContact O-N 3.14Å; S276-E280 VanDerWaalsContact O-N 3.12Å
277	W	93	Very high	91.6	Very high	37 Å²	37	57.6 Å²	57.6	14%	0.14	26%	0.263	C	S	.	.	H	α-helix	trans	-60.3	-48.5	172.7	169.8	82.4	0	0	0	112.2	F269 E273 E274 E280 A281 A300 L311 W312	F269-W277 HydrophobicContact CB-CB 4.19Å; F269-W277 HydrophobicContact CD1-CB 3.97Å; F269-W277 HydrophobicContact CD2-CB 3.96Å; F269-W277 AromaticContact CD2-CD1 3.61Å; F269-W277 HydrophobicContact CD2-CG 4.16Å; F269-W277 HydrophobicContact CE1-CB 4.24Å; F269-W277 HydrophobicContact CE2-CB 4.24Å; F269-W277 AromaticContact CE2-CD1 3.76Å; F269-W277 HydrophobicContact CE2-CG 4.42Å; F269-W277 HydrophobicContact CG-CB 3.81Å; F269-W277 HydrophobicContact CG-CG 4.45Å; F269-W277 HydrophobicContact CZ-CB 4.36Å; E273-W277 PolarHBondContact O-N 3.29Å; E274-W277 PolarHBondContact O-N 3.47Å; W277-E280 PolarHBondContact O-N 2.81Å; W277-A281 VanDerWaalsContact O-CB 3.3Å; W277-A281 WeakPolarHBondContact O-CB 3.48Å; W277-A281 PolarHBondContact O-N 2.8Å; W277-A300 HydrophobicContact CZ2-CB 3.9Å; W277-L311 HydrophobicContact CB-CB 4.29Å; W277-L311 HydrophobicContact CB-CD1 4.23Å; W277-L311 HydrophobicContact CD2-CB 3.83Å; W277-L311 HydrophobicContact CD2-CD1 4.08Å; W277-L311 HydrophobicContact CD2-CG 4.37Å; W277-L311 HydrophobicContact CE3-CB 4.46Å; W277-L311 HydrophobicContact CE3-CD1 3.96Å; W277-L311 HydrophobicContact CE3-CD2 4.42Å; W277-L311 HydrophobicContact CG-CB 3.72Å; W277-L311 HydrophobicContact CG-CD1 4.21Å; W277-L311 HydrophobicContact CZ3-CD2 4.45Å; W277-W312 PolarHBondContact NE1-O 3.25Å
278	F	91.6	Very high	91.3	Very high	120 Å²	120	60.2 Å²	60.2	53%	0.526	28%	0.277	S	S	.	.	H	α-helix	trans	-59.8	-51.3	-178.3	-179.2	-87.6	0	0	0	110.7	E274 E280 A281 E282	E274-F278 WeakPolarHBondContact O-CB 3.33Å; E274-F278 PolarHBondContact O-N 3.48Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.35Å; F278-A281 PolarHBondContact O-N 3.09Å; F278-E282 HydrophobicContact CE1-CB 4.41Å; F278-E282 HydrophobicContact CE1-CG 4.49Å; F278-E282 WeakPolarHBondContact O-CB 3.28Å; F278-E282 PolarHBondContact O-N 2.96Å
279	R	90.6	Very high	91.3	Very high	45 Å²	45	59.6 Å²	59.6	17%	0.17	27%	0.274	C	S	.	.	H	α-helix	trans	-58.4	-44.7	177.4	167.8	163.7	-85.9	-147.1	-4.7	111.9	R275 E282 I283 G388 A390 D401	R275-R279 WeakPolarHBondContact O-CB 3.5Å; R275-R279 PolarHBondContact O-N 2.61Å; R275-R279 VanDerWaalsContact O-N 3.09Å; R279-E282 PolarHBondContact O-N 3.04Å; R279-I283 HydrophobicContact CG-CG1 4.36Å; R279-I283 WeakPolarHBondContact O-CB 3.25Å; R279-I283 VanDerWaalsContact O-CG1 3.23Å; R279-I283 WeakPolarHBondContact O-CG1 3.4Å; R279-I283 PolarHBondContact O-N 2.91Å; R279-G388 WeakPolarHBondContact CD-O 3.47Å; R279-A390 PolarHBondContact NH1-O 3.34Å; R279-D401 IonicContact CZ-OD2 2.68Å; R279-D401 PolarHBondContact NH2-O 3.3Å; R279-D401 IonicContact NH2-OD1 3.93Å; R279-D401 PolarHBondContact NH2-OD1 3.05Å; R279-D401 IonicContact NH2-OD2 2.78Å; R279-D401 PolarHBondContact NH2-OD2 2.86Å
280	E	93.5	Very high	91.2	Very high	4 Å²	4	64 Å²	64	2%	0.019	29%	0.29	C	S	.	.	H	α-helix	trans	-66.6	-45.4	-178.8	-165.1	169.9	166.1	0	0	112	K267 F269 S276 W277 F278 I283 Y284 L313	K267-E280 IonicContact NZ-OE1 2.65Å; K267-E280 PolarHBondContact NZ-OE1 3.4Å; K267-E280 IonicContact NZ-OE2 3.27Å; K267-E280 PolarHBondContact NZ-OE2 2.86Å; F269-E280 WeakPolarHBondContact CZ-OE2 3.49Å; S276-E280 WeakPolarHBondContact O-CB 3.35Å; S276-E280 PolarHBondContact O-N 3.14Å; S276-E280 VanDerWaalsContact O-N 3.12Å; W277-E280 PolarHBondContact O-N 2.81Å; F278-E280 VanDerWaalsContact C-N 3.34Å; F278-E280 PolarHBondContact O-N 3.35Å; E280-I283 PolarHBondContact O-N 3.42Å; E280-Y284 HydrophobicContact CG-CD2 3.9Å; E280-Y284 HydrophobicContact CG-CE2 3.76Å; E280-Y284 VanDerWaalsContact O-CD2 3.23Å; E280-Y284 WeakPolarHBondContact O-CD2 3.43Å; E280-Y284 PolarHBondContact O-N 3.23Å; E280-L313 HydrophobicContact CB-CD1 3.95Å; E280-L313 HydrophobicContact CG-CD1 3.64Å
281	A	93.1	Very high	91.4	Very high	4 Å²	4	63.5 Å²	63.5	3%	0.033	28%	0.282	C	S	.	.	H	α-helix	trans	-61	-43.3	174.9	0	0	0	0	0	111.9	W277 F278 Y284 Q285 A300	W277-A281 VanDerWaalsContact O-CB 3.3Å; W277-A281 WeakPolarHBondContact O-CB 3.48Å; W277-A281 PolarHBondContact O-N 2.8Å; F278-A281 PolarHBondContact O-N 3.09Å; A281-Y284 PolarHBondContact O-N 2.93Å; A281-Q285 WeakPolarHBondContact O-CB 3.47Å; A281-Q285 VanDerWaalsContact O-CG 3.25Å; A281-Q285 WeakPolarHBondContact O-CG 3.45Å; A281-Q285 PolarHBondContact O-N 2.8Å; A281-A300 HydrophobicContact CB-CB 3.63Å
282	E	92.9	Very high	91.8	Very high	64 Å²	64	65.7 Å²	65.7	30%	0.299	29%	0.285	S	S	.	.	H	α-helix	trans	-61.8	-48.3	177.2	-164.2	-156.9	158.4	0	0	111	F278 R279 Y284 Q285 T286 R392	F278-E282 HydrophobicContact CE1-CB 4.41Å; F278-E282 HydrophobicContact CE1-CG 4.49Å; F278-E282 WeakPolarHBondContact O-CB 3.28Å; F278-E282 PolarHBondContact O-N 2.96Å; R279-E282 PolarHBondContact O-N 3.04Å; E282-Y284 PolarHBondContact O-N 3.38Å; E282-Q285 PolarHBondContact O-N 2.79Å; E282-Q285 VanDerWaalsContact O-N 3.17Å; E282-T286 PolarHBondContact O-N 3.36Å; E282-R392 VanDerWaalsContact C-NH2 3.34Å; E282-R392 PolarHBondContact O-NH2 3.42Å; E282-R392 IonicContact OE1-CZ 3.22Å; E282-R392 IonicContact OE1-NH1 2.68Å; E282-R392 PolarHBondContact OE1-NH1 2.92Å; E282-R392 IonicContact OE1-NH2 2.8Å
283	I	93.9	Very high	92.3	Very high	1 Å²	1	55.1 Å²	55.1	1%	0.005	25%	0.246	C	C	.	.	H	α-helix	trans	-58.8	-48.2	176.1	-66.6	-71.8	0	0	0	110	R279 E280 Q285 T286 L289 L387 A390 R392	R279-I283 HydrophobicContact CG-CG1 4.36Å; R279-I283 WeakPolarHBondContact O-CB 3.25Å; R279-I283 VanDerWaalsContact O-CG1 3.23Å; R279-I283 WeakPolarHBondContact O-CG1 3.4Å; R279-I283 PolarHBondContact O-N 2.91Å; E280-I283 PolarHBondContact O-N 3.42Å; I283-Q285 VanDerWaalsContact C-N 3.25Å; I283-Q285 PolarHBondContact O-N 3.02Å; I283-T286 VanDerWaalsContact O-CB 3.23Å; I283-T286 WeakPolarHBondContact O-CB 3.43Å; I283-T286 PolarHBondContact O-N 3.26Å; I283-T286 PolarHBondContact O-OG1 3.34Å; I283-L289 WeakPolarHBondContact O-CD2 3.45Å; I283-L387 HydrophobicContact CB-CB 4.39Å; I283-L387 HydrophobicContact CG2-CB 3.73Å; I283-L387 HydrophobicContact CG2-CD1 3.78Å; I283-L387 HydrophobicContact CG2-CG 4.36Å; I283-A390 HydrophobicContact CD1-CB 4.37Å; I283-A390 HydrophobicContact CG1-CB 4.36Å; I283-A390 HydrophobicContact CG2-CB 4.22Å; I283-R392 HydrophobicContact CD1-CG 3.85Å
284	Y	94.1	Very high	92.8	Very high	7 Å²	7	52.5 Å²	52.5	3%	0.027	23%	0.234	C	C	.	.	H	α-helix	trans	-61.2	-31.3	177.7	-86	-64.1	0	0	0	113.8	E280 A281 E282 T286 L295 F297 L313 D386 L387	E280-Y284 HydrophobicContact CG-CD2 3.9Å; E280-Y284 HydrophobicContact CG-CE2 3.76Å; E280-Y284 VanDerWaalsContact O-CD2 3.23Å; E280-Y284 WeakPolarHBondContact O-CD2 3.43Å; E280-Y284 PolarHBondContact O-N 3.23Å; A281-Y284 PolarHBondContact O-N 2.93Å; E282-Y284 PolarHBondContact O-N 3.38Å; Y284-T286 PolarHBondContact O-N 3.3Å; Y284-L295 HydrophobicContact CE1-CB 4.33Å; Y284-F297 HydrophobicContact CD1-CB 3.79Å; Y284-F297 HydrophobicContact CD1-CG 4.48Å; Y284-F297 HydrophobicContact CD2-CD2 4.35Å; Y284-F297 HydrophobicContact CG-CB 3.98Å; Y284-F297 AromaticContact CG-CD2 3.95Å; Y284-F297 HydrophobicContact CG-CD2 3.95Å; Y284-F297 HydrophobicContact CG-CG 4.18Å; Y284-L313 HydrophobicContact CD2-CD1 4.09Å; Y284-L313 HydrophobicContact CD2-CD2 4.35Å; Y284-L313 HydrophobicContact CE2-CD1 4.41Å; Y284-L313 HydrophobicContact CE2-CD2 4.41Å; Y284-D386 PolarHBondContact OH-N 2.74Å; Y284-L387 HydrophobicContact CD1-CD1 3.92Å; Y284-L387 HydrophobicContact CE1-CD1 3.63Å; Y284-L387 HydrophobicContact CE1-CG 4.11Å; Y284-L387 HydrophobicContact CE2-CB 4.22Å; Y284-L387 HydrophobicContact CE2-CD1 4.39Å; Y284-L387 HydrophobicContact CE2-CG 4.25Å; Y284-L387 HydrophobicContact CG-CD1 4.42Å
285	Q	92	Very high	93.1	Very high	63 Å²	63	47.6 Å²	47.6	29%	0.294	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-1.4	175.9	-71.4	176.7	34.3	0	0	114	S226 A281 E282 I283 V287 F297	S226-Q285 WeakPolarHBondContact CB-O 3.44Å; S226-Q285 VanDerWaalsContact OG-C 3.32Å; S226-Q285 WeakPolarHBondContact OG-CA 3.43Å; S226-Q285 PolarHBondContact OG-O 3.37Å; A281-Q285 WeakPolarHBondContact O-CB 3.47Å; A281-Q285 VanDerWaalsContact O-CG 3.25Å; A281-Q285 WeakPolarHBondContact O-CG 3.45Å; A281-Q285 PolarHBondContact O-N 2.8Å; E282-Q285 PolarHBondContact O-N 2.79Å; E282-Q285 VanDerWaalsContact O-N 3.17Å; I283-Q285 VanDerWaalsContact C-N 3.25Å; I283-Q285 PolarHBondContact O-N 3.02Å; Q285-V287 PolarHBondContact O-N 2.87Å; Q285-F297 HydrophobicContact CG-CD1 4.48Å; Q285-F297 HydrophobicContact CG-CE1 3.67Å; Q285-F297 HydrophobicContact CG-CZ 3.94Å
286	T	91	Very high	93.3	Very high	8 Å²	8	37.3 Å²	37.3	5%	0.049	18%	0.175	C	C	.	.			trans	-55.7	129.1	177.8	-51.8	0	0	0	0	111.4	S226 E282 I283 Y284 M288 L289 K361 P362 I364 R392	S226-T286 WeakPolarHBondContact CB-O 3.16Å; E282-T286 PolarHBondContact O-N 3.36Å; I283-T286 VanDerWaalsContact O-CB 3.23Å; I283-T286 WeakPolarHBondContact O-CB 3.43Å; I283-T286 PolarHBondContact O-N 3.26Å; I283-T286 PolarHBondContact O-OG1 3.34Å; Y284-T286 PolarHBondContact O-N 3.3Å; T286-M288 PolarHBondContact O-N 3.15Å; T286-L289 WeakPolarHBondContact O-CB 3.46Å; T286-L289 PolarHBondContact O-N 3Å; T286-L289 VanDerWaalsContact O-N 3.15Å; T286-K361 HydrophobicContact CG2-CG 4.16Å; T286-P362 HydrophobicContact CG2-CG 3.89Å; T286-I364 HydrophobicContact CG2-CD1 4.33Å; T286-R392 PolarHBondContact OG1-NE 2.8Å; T286-R392 PolarHBondContact OG1-NH2 2.88Å
287	V	89.3	Confident	93.5	Very high	37 Å²	37	36.5 Å²	36.5	22%	0.224	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.6	136	177.1	171.6	0	0	0	0	111.1	Q285 L289 Q359 K361	Q285-V287 PolarHBondContact O-N 2.87Å; V287-L289 PolarHBondContact O-N 3.38Å; V287-L289 VanDerWaalsContact O-N 3.14Å; V287-Q359 HydrophobicContact CG1-CB 3.78Å; V287-Q359 WeakPolarHBondContact CG1-O 3.19Å; V287-K361 WeakPolarHBondContact O-CB 3.24Å; V287-K361 WeakPolarHBondContact O-CG 3.37Å
288	M	89.4	Confident	93.4	Very high	79 Å²	79	34.8 Å²	34.8	39%	0.389	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	17.6	-178.2	-59.2	-64.5	162.3	0	0	115.9	T286 R290 H350 I355 Q359 K361	T286-M288 PolarHBondContact O-N 3.15Å; M288-R290 VanDerWaalsContact C-N 3.35Å; M288-H350 PolarHBondContact O-NE2 3.29Å; M288-I355 HydrophobicContact CB-CD1 4.38Å; M288-Q359 HydrophobicContact CE-CB 4.41Å; M288-Q359 WeakPolarHBondContact CG-O 3.24Å; M288-K361 HydrophobicContact CB-CB 4.2Å
289	L	93.4	Very high	93.4	Very high	4 Å²	4	29 Å²	29	2%	0.021	14%	0.137	C	C	.	.			trans	-73.1	-23.7	174.2	-179.6	60.1	0	0	0	113.8	I283 T286 V287 H291 L351 K361 I364 L387	I283-L289 WeakPolarHBondContact O-CD2 3.45Å; T286-L289 WeakPolarHBondContact O-CB 3.46Å; T286-L289 PolarHBondContact O-N 3Å; T286-L289 VanDerWaalsContact O-N 3.15Å; V287-L289 PolarHBondContact O-N 3.38Å; V287-L289 VanDerWaalsContact O-N 3.14Å; L289-H291 PolarHBondContact O-N 3.23Å; L289-H291 VanDerWaalsContact O-N 3.13Å; L289-L351 HydrophobicContact CD1-CD2 3.65Å; L289-K361 HydrophobicContact CD1-CD 4.48Å; L289-I364 HydrophobicContact CD1-CD1 3.97Å; L289-L387 HydrophobicContact CD2-CD1 4.17Å
290	R	92	Very high	93.4	Very high	94 Å²	94	27.4 Å²	27.4	36%	0.355	13%	0.133	S	C	.	.			trans	-63.6	117	-176	-166.9	176.2	-171.5	92.4	13	110.2	I216 M288 F297	I216-R290 VanDerWaalsContact CG2-CZ 3.47Å; M288-R290 VanDerWaalsContact C-N 3.35Å; R290-F297 PolarHBondContact NH1-O 3.38Å
291	H	95.9	Very high	93.3	Very high	43 Å²	43	27.5 Å²	27.5	20%	0.199	13%	0.134	C	C	.	.			trans	-150	148.9	-177.7	172.9	-97.4	0	0	0	109.1	L289 N293 I294 S346 H350	L289-H291 PolarHBondContact O-N 3.23Å; L289-H291 VanDerWaalsContact O-N 3.13Å; H291-N293 PolarHBondContact CE1-OD1 3.29Å; H291-N293 PolarHBondContact ND1-N 3.41Å; H291-N293 VanDerWaalsContact ND1-N 3.17Å; H291-N293 PolarHBondContact O-N 3.11Å; H291-N293 VanDerWaalsContact O-N 3.15Å; H291-I294 HydrophobicContact CB-CG1 4.05Å; H291-I294 PolarHBondContact O-N 3.36Å; H291-I294 VanDerWaalsContact O-O 3.14Å; H291-S346 PolarHBondContact CE1-OG 2.91Å; H291-H350 HydrophobicContact CB-CB 4.4Å; H291-H350 VanDerWaalsContact CB-CD2 3.5Å; H291-H350 WeakPolarHBondContact CB-CD2 3.46Å; H291-H350 AromaticContact CD2-CE1 3.87Å; H291-H350 AromaticContact CD2-CG 3.9Å; H291-H350 AromaticContact CD2-ND1 3.9Å; H291-H350 AromaticContact CG-CD2 3.97Å; H291-H350 AromaticContact CG-CG 3.67Å
292	E	96.4	Very high	93.1	Very high	109 Å²	109	31.9 Å²	31.9	51%	0.509	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-40.6	-173.4	-171.5	-174	166.4	0	0	112.6	I294 K377	E292-I294 VanDerWaalsContact C-N 3.29Å; E292-I294 PolarHBondContact O-N 3.32Å; E292-K377 WeakPolarHBondContact O-CE 3.06Å; E292-K377 PolarHBondContact O-NZ 2.03Å
293	N	98.6	Very high	92.7	Very high	10 Å²	10	31.5 Å²	31.5	5%	0.053	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.3	23.6	-178.6	-45.8	116.9	0	0	0	113.8	H291 S343 S346 G347 C382 C383 I384	H291-N293 PolarHBondContact CE1-OD1 3.29Å; H291-N293 PolarHBondContact ND1-N 3.41Å; H291-N293 VanDerWaalsContact ND1-N 3.17Å; H291-N293 PolarHBondContact O-N 3.11Å; H291-N293 VanDerWaalsContact O-N 3.15Å; N293-S343 WeakPolarHBondContact CB-O 3.41Å; N293-S343 VanDerWaalsContact CG-O 3.29Å; N293-S343 VanDerWaalsContact ND2-CB 3.32Å; N293-S343 WeakPolarHBondContact ND2-CB 3.5Å; N293-S346 VanDerWaalsContact OD1-CB 3.24Å; N293-S346 WeakPolarHBondContact OD1-CB 3.32Å; N293-S346 PolarHBondContact OD1-OG 3.22Å; N293-S346 VanDerWaalsContact OD1-OG 3.07Å; N293-G347 WeakPolarHBondContact O-CA 3.3Å; N293-C382 WeakPolarHBondContact CA-O 3.41Å; N293-C382 WeakPolarHBondContact CB-O 3.31Å; N293-C382 PolarHBondContact ND2-O 2.94Å; N293-C383 CarbonylContact O-C 3.54Å; N293-C383 VanDerWaalsContact O-CA 3.29Å; N293-C383 WeakPolarHBondContact O-CA 3.43Å; N293-I384 PolarHBondContact O-N 2.82Å
294	I	98.3	Very high	92.3	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.041	18%	0.18	C	C	.	.	B	Isolated β-bridge	trans	-120.4	141.2	166.8	-56.5	-61.5	0	0	0	107.4	H291 E292 G296 L351 I384	H291-I294 HydrophobicContact CB-CG1 4.05Å; H291-I294 PolarHBondContact O-N 3.36Å; H291-I294 VanDerWaalsContact O-O 3.14Å; E292-I294 VanDerWaalsContact C-N 3.29Å; E292-I294 PolarHBondContact O-N 3.32Å; I294-G296 PolarHBondContact O-N 2.86Å; I294-L351 HydrophobicContact CD1-CD1 3.94Å; I294-L351 HydrophobicContact CD1-CD2 3.94Å; I294-L351 HydrophobicContact CD1-CG 3.67Å; I294-I384 HydrophobicContact CD1-CB 4.13Å
295	L	97.4	Very high	91.7	Very high	16 Å²	16	39.5 Å²	39.5	8%	0.084	20%	0.197	C	C	.	.			trans	-57.5	127.9	180	177.2	55.7	0	0	0	110.6	Y284 F297 D316 L375 I384 A385	Y284-L295 HydrophobicContact CE1-CB 4.33Å; L295-F297 PolarHBondContact O-N 3.21Å; L295-D316 HydrophobicContact CD1-CB 4.34Å; L295-L375 HydrophobicContact CD1-CD1 4Å; L295-L375 HydrophobicContact CD2-CD1 4.11Å; L295-I384 WeakPolarHBondContact CB-O 3.41Å; L295-I384 PolarHBondContact N-O 3.32Å; L295-A385 HydrophobicContact CB-CB 4.09Å; L295-A385 HydrophobicContact CD2-CB 3.63Å; L295-A385 HydrophobicContact CG-CB 4.49Å
296	G	93.8	Very high	91.2	Very high	7 Å²	7	39.8 Å²	39.8	7%	0.072	22%	0.217	C	C	.	.			trans	-68.8	102.5	179.6	0	0	0	0	0	111.4	I294 S315 D316	I294-G296 PolarHBondContact O-N 2.86Å; G296-S315 CarbonylContact O-C 3.59Å; G296-S315 WeakPolarHBondContact O-CA 3.46Å; G296-S315 VanDerWaalsContact O-CB 3.26Å; G296-S315 WeakPolarHBondContact O-CB 3.4Å; G296-D316 WeakPolarHBondContact CA-OD2 3.48Å; G296-D316 PolarHBondContact O-N 3.26Å
297	F	93.3	Very high	90.8	Very high	6 Å²	6	44.3 Å²	44.3	3%	0.026	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.8	141.8	167.8	176.8	-101.4	0	0	0	110.6	Y284 Q285 R290 L295 A299 A300 L313	Y284-F297 HydrophobicContact CD1-CB 3.79Å; Y284-F297 HydrophobicContact CD1-CG 4.48Å; Y284-F297 HydrophobicContact CD2-CD2 4.35Å; Y284-F297 HydrophobicContact CG-CB 3.98Å; Y284-F297 AromaticContact CG-CD2 3.95Å; Y284-F297 HydrophobicContact CG-CD2 3.95Å; Y284-F297 HydrophobicContact CG-CG 4.18Å; Q285-F297 HydrophobicContact CG-CD1 4.48Å; Q285-F297 HydrophobicContact CG-CE1 3.67Å; Q285-F297 HydrophobicContact CG-CZ 3.94Å; R290-F297 PolarHBondContact NH1-O 3.38Å; L295-F297 PolarHBondContact O-N 3.21Å; F297-A299 WeakPolarHBondContact CE2-O 3.15Å; F297-A300 HydrophobicContact CE2-CB 4.14Å; F297-A300 HydrophobicContact CZ-CB 3.96Å; F297-L313 HydrophobicContact CD2-CD2 4.04Å; F297-L313 HydrophobicContact CD2-CG 4.36Å; F297-L313 HydrophobicContact CE2-CD2 4.28Å; F297-L313 HydrophobicContact CE2-CG 4.11Å
298	I	90.9	Very high	90.7	Very high	1 Å²	1	49.5 Å²	49.5	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	-56	177.7	-60.5	173.8	0	0	0	109.5	L212 L228 W259 V264 V314	L212-I298 HydrophobicContact CD1-CD1 4.4Å; L212-I298 HydrophobicContact CD2-CD1 4.01Å; L228-I298 HydrophobicContact CD1-CG2 3.91Å; W259-I298 HydrophobicContact CE3-CG2 4.25Å; W259-I298 HydrophobicContact CZ3-CG2 3.77Å; V264-I298 HydrophobicContact CG1-CD1 3.79Å; I298-V314 HydrophobicContact CB-CB 4.41Å; I298-V314 HydrophobicContact CB-CG1 4.21Å; I298-V314 WeakPolarHBondContact CB-O 3.36Å; I298-V314 HydrophobicContact CD1-CG1 4.27Å; I298-V314 HydrophobicContact CG2-CG1 4.46Å; I298-V314 PolarHBondContact N-O 3.24Å
299	A	90.9	Very high	90.7	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.1	159	-176.4	0	0	0	0	0	113.2	Q233 I236 F297 V314	Q233-A299 HydrophobicContact CB-CB 4.3Å; Q233-A299 HydrophobicContact CG-CB 4Å; I236-A299 HydrophobicContact CD1-CB 3.54Å; I236-A299 HydrophobicContact CG2-CB 4.47Å; F297-A299 WeakPolarHBondContact CE2-O 3.15Å; A299-V314 PolarHBondContact N-O 2.68Å; A299-V314 PolarHBondContact O-N 3.02Å
300	A	91.8	Very high	90.6	Very high	10 Å²	10	49.9 Å²	49.9	8%	0.083	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	131.3	162.4	0	0	0	0	0	107.9	W277 A281 F297 W312	W277-A300 HydrophobicContact CZ2-CB 3.9Å; A281-A300 HydrophobicContact CB-CB 3.63Å; F297-A300 HydrophobicContact CE2-CB 4.14Å; F297-A300 HydrophobicContact CZ-CB 3.96Å; A300-W312 WeakPolarHBondContact CA-O 3.47Å
301	D	91.1	Very high	90.7	Very high	7 Å²	7	46 Å²	46	4%	0.037	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	171.8	-170.5	-162	3.9	0	0	0	110.1	Q233 R234 I236 A237 W312	Q233-D301 WeakPolarHBondContact O-CB 3.47Å; Q233-D301 VanDerWaalsContact O-OD2 3.08Å; R234-D301 WeakPolarHBondContact CA-OD1 3.4Å; I236-D301 PolarHBondContact N-OD2 2.98Å; A237-D301 HydrophobicContact CB-CB 3.97Å; A237-D301 WeakPolarHBondContact CB-OD2 3.44Å; A237-D301 PolarHBondContact N-OD2 3.01Å; D301-W312 PolarHBondContact N-O 3.04Å; D301-W312 PolarHBondContact O-N 3.02Å
302	N	88.5	Confident	90.6	Very high	95 Å²	95	44 Å²	44	51%	0.508	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	151	168.7	66.6	25.8	0	0	0	111.7	T309 Q310 L311	N302-T309 HydrophobicContact CB-CG2 4.08Å; N302-Q310 WeakPolarHBondContact CA-O 3.49Å; N302-L311 HydrophobicContact CB-CD2 3.98Å
303	K	85.8	Confident	90.5	Very high	56 Å²	56	39 Å²	39	24%	0.243	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	118.9	178.4	-165.7	174.5	-170.2	160.3	0	109.3	A237 Q310 W312	A237-K303 HydrophobicContact CB-CB 4.14Å; A237-K303 HydrophobicContact CB-CD 4.38Å; A237-K303 WeakPolarHBondContact O-CD 3.46Å; A237-K303 WeakPolarHBondContact O-CE 3.37Å; A237-K303 PolarHBondContact O-NZ 3.3Å; K303-Q310 PolarHBondContact N-O 2.92Å; K303-Q310 WeakPolarHBondContact O-CB 3.44Å; K303-Q310 PolarHBondContact O-N 3.34Å; K303-W312 HydrophobicContact CB-CD2 4.49Å; K303-W312 HydrophobicContact CB-CZ2 4.38Å; K303-W312 HydrophobicContact CD-CH2 3.75Å; K303-W312 HydrophobicContact CD-CZ2 3.34Å; K303-W312 HydrophobicContact CG-CZ2 4.48Å
304	D	84.3	Confident	90.4	Very high	106 Å²	106	38.6 Å²	38.6	57%	0.567	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-81.1	133.7	164.6	-158.8	-24.6	0	0	0	108.8	G306	D304-G306 PolarHBondContact OD1-N 3.07Å
305	N	81.9	Confident	90.2	Very high	70 Å²	70	38.6 Å²	38.6	37%	0.374	22%	0.217	S	C	.	.			trans	-105.6	7.9	174.6	67.9	-1.8	0	0	0	112.4	T307 W308	N305-T307 PolarHBondContact OD1-N 2.89Å; N305-T307 PolarHBondContact OD1-OG1 3.18Å; N305-W308 PolarHBondContact OD1-N 3.35Å; N305-W308 PolarHBondContact OD1-O 3.28Å
306	G	81.3	Confident	90.1	Very high	69 Å²	69	39.8 Å²	39.8	71%	0.711	22%	0.224	S	C	*	.	S	Bend	trans	88.9	-5.3	-176.8	0	0	0	0	0	114.4	D304	D304-G306 PolarHBondContact OD1-N 3.07Å
307	T	83.4	Confident	90.2	Very high	103 Å²	103	42 Å²	42	63%	0.632	23%	0.23	S	C	*	.	S	Bend	trans	-130.1	-32.4	179.8	54.4	0	0	0	0	113.7	N305	N305-T307 PolarHBondContact OD1-N 2.89Å; N305-T307 PolarHBondContact OD1-OG1 3.18Å
308	W	85.6	Confident	90.4	Very high	147 Å²	147	43.1 Å²	43.1	56%	0.557	24%	0.235	S	C	*	.	S	Bend	trans	-158	149.9	169.5	58.8	84.8	0	0	0	112	N305 Q310	N305-W308 PolarHBondContact OD1-N 3.35Å; N305-W308 PolarHBondContact OD1-O 3.28Å; W308-Q310 PolarHBondContact O-N 3.01Å
309	T	89.5	Confident	90.6	Very high	57 Å²	57	47.6 Å²	47.6	35%	0.35	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	126	171.4	-42.8	0	0	0	0	110.8	N302	N302-T309 HydrophobicContact CB-CG2 4.08Å
310	Q	92.2	Very high	90.9	Very high	34 Å²	34	49.9 Å²	49.9	16%	0.159	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	137.8	167.8	-61.5	-177.2	-12.6	0	0	109.4	I268 N302 K303 W308	I268-Q310 HydrophobicContact CG2-CB 3.9Å; I268-Q310 HydrophobicContact CG2-CG 4.13Å; N302-Q310 WeakPolarHBondContact CA-O 3.49Å; K303-Q310 PolarHBondContact N-O 2.92Å; K303-Q310 WeakPolarHBondContact O-CB 3.44Å; K303-Q310 PolarHBondContact O-N 3.34Å; W308-Q310 PolarHBondContact O-N 3.01Å
311	L	93.7	Very high	91.1	Very high	12 Å²	12	50.6 Å²	50.6	6%	0.063	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	125.1	173.4	-57.7	173.7	0	0	0	108.3	F269 E274 W277 N302	F269-L311 HydrophobicContact CB-CB 4.24Å; F269-L311 PolarHBondContact N-O 3.03Å; F269-L311 PolarHBondContact O-N 3.46Å; F269-L311 VanDerWaalsContact O-N 3.1Å; E274-L311 HydrophobicContact CB-CD1 3.77Å; E274-L311 HydrophobicContact CG-CD1 3.98Å; W277-L311 HydrophobicContact CB-CB 4.29Å; W277-L311 HydrophobicContact CB-CD1 4.23Å; W277-L311 HydrophobicContact CD2-CB 3.83Å; W277-L311 HydrophobicContact CD2-CD1 4.08Å; W277-L311 HydrophobicContact CD2-CG 4.37Å; W277-L311 HydrophobicContact CE3-CB 4.46Å; W277-L311 HydrophobicContact CE3-CD1 3.96Å; W277-L311 HydrophobicContact CE3-CD2 4.42Å; W277-L311 HydrophobicContact CG-CB 3.72Å; W277-L311 HydrophobicContact CG-CD1 4.21Å; W277-L311 HydrophobicContact CZ3-CD2 4.45Å; N302-L311 HydrophobicContact CB-CD2 3.98Å
312	W	94.8	Very high	91.4	Very high	1 Å²	1	50.7 Å²	50.7	0%	0.004	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	137.9	-169.9	-75.9	34	0	0	0	110.2	A237 I240 L242 V266 I268 W277 A300 D301 K303	A237-W312 HydrophobicContact CB-CD2 3.78Å; A237-W312 HydrophobicContact CB-CE3 3.46Å; A237-W312 VanDerWaalsContact CB-CE3 3.46Å; A237-W312 HydrophobicContact CB-CG 4.26Å; A237-W312 HydrophobicContact CB-CZ3 3.98Å; I240-W312 HydrophobicContact CB-CZ3 3.88Å; I240-W312 HydrophobicContact CD1-CZ3 4.34Å; I240-W312 HydrophobicContact CG2-CH2 4.49Å; I240-W312 HydrophobicContact CG2-CZ3 3.86Å; L242-W312 HydrophobicContact CD1-CH2 3.88Å; L242-W312 HydrophobicContact CD1-CZ2 3.83Å; L242-W312 HydrophobicContact CD2-CH2 3.57Å; L242-W312 HydrophobicContact CD2-CZ2 4.2Å; L242-W312 HydrophobicContact CD2-CZ3 4Å; L242-W312 HydrophobicContact CG-CH2 3.67Å; L242-W312 HydrophobicContact CG-CZ2 4.16Å; V266-W312 HydrophobicContact CG1-CB 4.34Å; V266-W312 HydrophobicContact CG1-CD2 3.6Å; V266-W312 HydrophobicContact CG1-CE3 3.33Å; V266-W312 HydrophobicContact CG1-CG 4.06Å; V266-W312 HydrophobicContact CG1-CH2 4.44Å; V266-W312 HydrophobicContact CG1-CZ3 3.78Å; V266-W312 HydrophobicContact CG2-CE3 4.47Å; V266-W312 HydrophobicContact CG2-CZ3 4.36Å; I268-W312 HydrophobicContact CD1-CZ2 4Å; I268-W312 HydrophobicContact CG1-CD2 4.49Å; I268-W312 HydrophobicContact CG1-CG 4.48Å; W277-W312 PolarHBondContact NE1-O 3.25Å; A300-W312 WeakPolarHBondContact CA-O 3.47Å; D301-W312 PolarHBondContact N-O 3.04Å; D301-W312 PolarHBondContact O-N 3.02Å; K303-W312 HydrophobicContact CB-CD2 4.49Å; K303-W312 HydrophobicContact CB-CZ2 4.38Å; K303-W312 HydrophobicContact CD-CH2 3.75Å; K303-W312 HydrophobicContact CD-CZ2 3.34Å; K303-W312 HydrophobicContact CG-CZ2 4.48Å
313	L	94.4	Very high	91.9	Very high	5 Å²	5	46.1 Å²	46.1	3%	0.026	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	118.3	168.2	-168.7	164	0	0	0	107.6	V266 K267 F269 E280 Y284 F297	V266-L313 WeakPolarHBondContact CA-O 3.38Å; K267-L313 HydrophobicContact CB-CB 4.34Å; K267-L313 PolarHBondContact N-O 3.26Å; K267-L313 PolarHBondContact O-N 3.32Å; F269-L313 HydrophobicContact CE2-CB 3.99Å; E280-L313 HydrophobicContact CB-CD1 3.95Å; E280-L313 HydrophobicContact CG-CD1 3.64Å; Y284-L313 HydrophobicContact CD2-CD1 4.09Å; Y284-L313 HydrophobicContact CD2-CD2 4.35Å; Y284-L313 HydrophobicContact CE2-CD1 4.41Å; Y284-L313 HydrophobicContact CE2-CD2 4.41Å; F297-L313 HydrophobicContact CD2-CD2 4.04Å; F297-L313 HydrophobicContact CD2-CG 4.36Å; F297-L313 HydrophobicContact CE2-CD2 4.28Å; F297-L313 HydrophobicContact CE2-CG 4.11Å
314	V	95.3	Very high	92.4	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	129.8	-172.4	-171.3	0	0	0	0	109.7	I236 I240 V264 A265 I298 A299	I236-V314 HydrophobicContact CG2-CG2 4.35Å; I240-V314 HydrophobicContact CD1-CB 4.43Å; I240-V314 HydrophobicContact CD1-CG1 3.77Å; I240-V314 HydrophobicContact CD1-CG2 3.73Å; V264-V314 HydrophobicContact CB-CG1 4.07Å; V264-V314 HydrophobicContact CG1-CG1 4.39Å; V264-V314 HydrophobicContact CG2-CG1 4.27Å; A265-V314 WeakPolarHBondContact O-CA 3.4Å; I298-V314 HydrophobicContact CB-CB 4.41Å; I298-V314 HydrophobicContact CB-CG1 4.21Å; I298-V314 WeakPolarHBondContact CB-O 3.36Å; I298-V314 HydrophobicContact CD1-CG1 4.27Å; I298-V314 HydrophobicContact CG2-CG1 4.46Å; I298-V314 PolarHBondContact N-O 3.24Å; A299-V314 PolarHBondContact N-O 2.68Å; A299-V314 PolarHBondContact O-N 3.02Å
315	S	95.3	Very high	93	Very high	9 Å²	9	42.9 Å²	42.9	6%	0.063	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	171.4	178.7	69.2	0	0	0	0	112.3	A265 G296	A265-S315 PolarHBondContact N-O 3.15Å; A265-S315 PolarHBondContact O-N 3.06Å; G296-S315 CarbonylContact O-C 3.59Å; G296-S315 WeakPolarHBondContact O-CA 3.46Å; G296-S315 VanDerWaalsContact O-CB 3.26Å; G296-S315 WeakPolarHBondContact O-CB 3.4Å
316	D	94.8	Very high	93.8	Very high	40 Å²	40	41.5 Å²	41.5	21%	0.214	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	140	167.1	-62.6	-20.3	0	0	0	110.7	L295 G296	L295-D316 HydrophobicContact CD1-CB 4.34Å; G296-D316 WeakPolarHBondContact CA-OD2 3.48Å; G296-D316 PolarHBondContact O-N 3.26Å
317	Y	96.4	Very high	94.6	Very high	55 Å²	55	38.2 Å²	38.2	22%	0.216	19%	0.191	C	C	.	.			trans	-89.6	142.2	169.3	177.7	-110	0	0	0	111.1	I246 R256 E263 A265 E319	I246-Y317 HydrophobicContact CD1-CD2 4.09Å; I246-Y317 HydrophobicContact CD1-CE2 3.76Å; R256-Y317 HydrophobicContact CB-CE2 4.26Å; R256-Y317 HydrophobicContact CG-CD2 4.27Å; R256-Y317 HydrophobicContact CG-CE2 4.1Å; E263-Y317 HydrophobicContact CB-CD1 3.78Å; E263-Y317 HydrophobicContact CB-CG 4.22Å; E263-Y317 HydrophobicContact CG-CD1 4.49Å; E263-Y317 WeakPolarHBondContact O-CB 3.37Å; A265-Y317 HydrophobicContact CB-CD2 4.47Å; Y317-E319 HydrophobicContact CE1-CB 4.11Å
318	H	96.7	Very high	95.3	Very high	28 Å²	28	36.9 Å²	36.9	13%	0.13	18%	0.18	C	C	.	.			trans	-128.8	111.6	177.7	-68.3	-12.3	0	0	0	110.6	H320 G321 L375 C383	H318-H320 VanDerWaalsContact C-N 3.26Å; H318-H320 PolarHBondContact O-N 3Å; H318-H320 VanDerWaalsContact O-N 3.17Å; H318-G321 PolarHBondContact O-N 3.15Å; H318-L375 HydrophobicContact CB-CB 4.4Å; H318-C383 PolarHBondContact CD2-SG 2.79Å; H318-C383 PolarHBondContact NE2-SG 2.86Å
319	E	94.8	Very high	95.8	Very high	95 Å²	95	38 Å²	38	44%	0.444	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-21.4	-168.4	66.4	-170.6	134.5	0	0	115.4	Y317 G321 K378	Y317-E319 HydrophobicContact CE1-CB 4.11Å; E319-G321 VanDerWaalsContact C-N 3.29Å; E319-K378 VanDerWaalsContact OE1-CD 3.26Å; E319-K378 WeakPolarHBondContact OE1-CD 3.32Å; E319-K378 WeakPolarHBondContact OE1-CE 3.37Å; E319-K378 VanDerWaalsContact OE1-CG 3.25Å; E319-K378 WeakPolarHBondContact OE1-CG 3.21Å; E319-K378 IonicContact OE1-NZ 2.68Å; E319-K378 PolarHBondContact OE1-NZ 3.28Å; E319-K378 IonicContact OE2-NZ 3.79Å
320	H	96.4	Very high	96.2	Very high	49 Å²	49	40.4 Å²	40.4	23%	0.227	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-2.9	175.7	-66.5	-39.2	0	0	0	113.8	H318 Y326 V376 K377	H318-H320 VanDerWaalsContact C-N 3.26Å; H318-H320 PolarHBondContact O-N 3Å; H318-H320 VanDerWaalsContact O-N 3.17Å; H320-Y326 HydrophobicContact CB-CD2 3.9Å; H320-Y326 HydrophobicContact CB-CE2 4.38Å; H320-V376 HydrophobicContact CB-CB 3.94Å; H320-V376 HydrophobicContact CB-CG1 4.15Å; H320-K377 PolarHBondContact CD2-O 2.79Å
321	G	96.1	Very high	96.4	Very high	24 Å²	24	41.6 Å²	41.6	25%	0.247	20%	0.198	C	C	.	.			trans	66.9	-148.6	179.2	0	0	0	0	0	112.7	H318 E319 L375 V376	H318-G321 PolarHBondContact O-N 3.15Å; E319-G321 VanDerWaalsContact C-N 3.29Å; G321-L375 WeakPolarHBondContact O-CA 3.34Å; G321-V376 PolarHBondContact O-N 3.23Å
322	S	97.9	Very high	96.6	Very high	9 Å²	9	41.4 Å²	41.4	6%	0.063	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	-77.8	159.6	177.7	73.1	0	0	0	0	112.2	F324 D325 Y326 K372 I374	S322-F324 PolarHBondContact O-N 3.38Å; S322-F324 WeakPolarHBondContact OG-CB 3.49Å; S322-D325 WeakPolarHBondContact CB-OD2 3.27Å; S322-D325 PolarHBondContact N-OD2 3.01Å; S322-D325 WeakPolarHBondContact O-CB 3.41Å; S322-D325 PolarHBondContact O-N 2.78Å; S322-D325 VanDerWaalsContact OG-CG 3.22Å; S322-D325 PolarHBondContact OG-N 2.79Å; S322-D325 PolarHBondContact OG-OD2 3.17Å; S322-Y326 PolarHBondContact O-N 3.41Å; S322-K372 WeakPolarHBondContact CB-O 3.42Å; S322-I374 CarbonylContact C-O 3.59Å; S322-I374 VanDerWaalsContact CA-O 3.25Å; S322-I374 WeakPolarHBondContact CA-O 3.34Å
323	L	98.7	Very high	96.7	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-59.8	-31.9	172.6	179.2	66.4	0	0	0	111	L327 L340 S371 I374 V376 V442 I446	L323-L327 HydrophobicContact CD1-CD1 3.86Å; L323-L327 HydrophobicContact CD1-CD2 4.29Å; L323-L327 HydrophobicContact CD1-CG 3.83Å; L323-L327 HydrophobicContact CD2-CD1 4.44Å; L323-L327 HydrophobicContact CG-CD1 3.77Å; L323-L327 HydrophobicContact CG-CG 4.16Å; L323-L327 VanDerWaalsContact O-CB 3.27Å; L323-L327 WeakPolarHBondContact O-CB 3.15Å; L323-L327 WeakPolarHBondContact O-CG 3.26Å; L323-L327 PolarHBondContact O-N 2.66Å; L323-L340 HydrophobicContact CD1-CD1 4.08Å; L323-L340 HydrophobicContact CD1-CD2 4.19Å; L323-S371 WeakPolarHBondContact CB-O 3.43Å; L323-S371 PolarHBondContact N-O 2.84Å; L323-I374 HydrophobicContact CB-CB 4.12Å; L323-I374 HydrophobicContact CB-CG2 4.14Å; L323-I374 HydrophobicContact CD2-CB 4.38Å; L323-I374 HydrophobicContact CD2-CD1 4.3Å; L323-I374 HydrophobicContact CD2-CG2 4.16Å; L323-I374 PolarHBondContact N-O 3.21Å; L323-V376 HydrophobicContact CB-CG2 4.12Å; L323-V376 HydrophobicContact CD1-CG2 3.87Å; L323-V442 HydrophobicContact CD2-CG1 3.63Å; L323-I446 HydrophobicContact CD1-CG1 4.34Å; L323-I446 HydrophobicContact CD2-CD1 3.95Å; L323-I446 HydrophobicContact CD2-CG1 3.95Å
324	F	98	Very high	96.8	Very high	37 Å²	37	46.7 Å²	46.7	16%	0.162	23%	0.23	C	C	.	.	H	α-helix	trans	-57.1	-53	167.7	172.7	-84	0	0	0	111	S322 Y326 L327 N328 S371 K372 Y459 L461	S322-F324 PolarHBondContact O-N 3.38Å; S322-F324 WeakPolarHBondContact OG-CB 3.49Å; F324-Y326 VanDerWaalsContact C-N 3.33Å; F324-Y326 PolarHBondContact O-N 3.34Å; F324-L327 PolarHBondContact O-N 3.08Å; F324-N328 PolarHBondContact O-N 3Å; F324-N328 VanDerWaalsContact O-N 3.08Å; F324-N328 PolarHBondContact O-ND2 2.65Å; F324-S371 PolarHBondContact N-O 2.78Å; F324-K372 HydrophobicContact CB-CB 4.47Å; F324-K372 HydrophobicContact CB-CG 3.55Å; F324-K372 HydrophobicContact CD1-CD 4.49Å; F324-K372 HydrophobicContact CD1-CG 4.15Å; F324-K372 HydrophobicContact CD2-CD 4.43Å; F324-K372 HydrophobicContact CD2-CG 3.99Å; F324-K372 HydrophobicContact CG-CD 4.29Å; F324-K372 HydrophobicContact CG-CG 3.64Å; F324-Y459 AromaticContact CD2-CE1 3.92Å; F324-Y459 HydrophobicContact CD2-CE1 3.92Å; F324-Y459 AromaticContact CD2-CZ 3.83Å; F324-Y459 WeakPolarHBondContact CD2-OH 3.27Å; F324-Y459 AromaticContact CE2-CE1 3.71Å; F324-Y459 HydrophobicContact CE2-CE1 3.71Å; F324-Y459 HydrophobicContact CZ-CE1 4.42Å; F324-L461 HydrophobicContact CD2-CD2 4.09Å; F324-L461 HydrophobicContact CE2-CD2 4Å; F324-L461 HydrophobicContact CE2-CG 4.32Å
325	D	96.6	Very high	96.9	Very high	56 Å²	56	50.8 Å²	50.8	30%	0.299	25%	0.249	S	C	.	.	H	α-helix	trans	-63.6	-40.6	-179	-55.1	-56.8	0	0	0	111.9	S322 R329	S322-D325 WeakPolarHBondContact CB-OD2 3.27Å; S322-D325 PolarHBondContact N-OD2 3.01Å; S322-D325 WeakPolarHBondContact O-CB 3.41Å; S322-D325 PolarHBondContact O-N 2.78Å; S322-D325 VanDerWaalsContact OG-CG 3.22Å; S322-D325 PolarHBondContact OG-N 2.79Å; S322-D325 PolarHBondContact OG-OD2 3.17Å; D325-R329 VanDerWaalsContact O-CG 3.29Å; D325-R329 WeakPolarHBondContact O-CG 3.42Å; D325-R329 PolarHBondContact O-N 2.73Å
326	Y	98.4	Very high	97	Very high	42 Å²	42	51.1 Å²	51.1	17%	0.165	25%	0.254	C	S	.	.	H	α-helix	trans	-63.7	-49.4	178.8	-170.1	-97.4	0	0	0	111.9	H320 S322 F324 N328 R329 Y330 V332 L340 V376	H320-Y326 HydrophobicContact CB-CD2 3.9Å; H320-Y326 HydrophobicContact CB-CE2 4.38Å; S322-Y326 PolarHBondContact O-N 3.41Å; F324-Y326 VanDerWaalsContact C-N 3.33Å; F324-Y326 PolarHBondContact O-N 3.34Å; Y326-N328 VanDerWaalsContact C-N 3.32Å; Y326-N328 PolarHBondContact O-N 3.19Å; Y326-R329 PolarHBondContact O-N 2.63Å; Y326-R329 VanDerWaalsContact O-N 3.13Å; Y326-Y330 HydrophobicContact CD1-CD2 4.39Å; Y326-Y330 AromaticContact CD2-CD2 3.48Å; Y326-Y330 HydrophobicContact CD2-CD2 3.48Å; Y326-Y330 VanDerWaalsContact CD2-CD2 3.48Å; Y326-Y330 AromaticContact CD2-CE2 3.81Å; Y326-Y330 HydrophobicContact CD2-CE2 3.81Å; Y326-Y330 HydrophobicContact CE1-CD2 4.41Å; Y326-Y330 AromaticContact CE2-CD2 3.53Å; Y326-Y330 HydrophobicContact CE2-CD2 3.53Å; Y326-Y330 AromaticContact CE2-CE2 3.88Å; Y326-Y330 HydrophobicContact CE2-CE2 3.88Å; Y326-Y330 HydrophobicContact CE2-CG 4.33Å; Y326-Y330 AromaticContact CG-CD2 3.95Å; Y326-Y330 HydrophobicContact CG-CD2 3.95Å; Y326-Y330 WeakPolarHBondContact O-CD2 3.35Å; Y326-Y330 PolarHBondContact O-N 3.03Å; Y326-V332 HydrophobicContact CE1-CG1 3.98Å; Y326-L340 HydrophobicContact CD1-CD1 4.42Å; Y326-L340 HydrophobicContact CE1-CD1 4.2Å; Y326-V376 HydrophobicContact CD1-CG2 4.27Å; Y326-V376 HydrophobicContact CD2-CB 4.27Å; Y326-V376 HydrophobicContact CD2-CG1 3.99Å; Y326-V376 HydrophobicContact CD2-CG2 4.43Å; Y326-V376 HydrophobicContact CE2-CG1 4.06Å; Y326-V376 HydrophobicContact CG-CB 4.27Å; Y326-V376 HydrophobicContact CG-CG1 4.2Å; Y326-V376 HydrophobicContact CG-CG2 3.93Å
327	L	98.4	Very high	97.2	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.244	C	C	.	.	H	α-helix	trans	-69.6	-27.2	-179	-67.9	176	0	0	0	113	L323 F324 Y330 V332 E445 I446 R449 Y459	L323-L327 HydrophobicContact CD1-CD1 3.86Å; L323-L327 HydrophobicContact CD1-CD2 4.29Å; L323-L327 HydrophobicContact CD1-CG 3.83Å; L323-L327 HydrophobicContact CD2-CD1 4.44Å; L323-L327 HydrophobicContact CG-CD1 3.77Å; L323-L327 HydrophobicContact CG-CG 4.16Å; L323-L327 VanDerWaalsContact O-CB 3.27Å; L323-L327 WeakPolarHBondContact O-CB 3.15Å; L323-L327 WeakPolarHBondContact O-CG 3.26Å; L323-L327 PolarHBondContact O-N 2.66Å; F324-L327 PolarHBondContact O-N 3.08Å; L327-Y330 VanDerWaalsContact O-O 3.1Å; L327-V332 HydrophobicContact CD2-CG1 4.39Å; L327-E445 HydrophobicContact CD1-CB 4.03Å; L327-I446 HydrophobicContact CD1-CG1 4.07Å; L327-R449 HydrophobicContact CB-CG 4.13Å; L327-R449 HydrophobicContact CD2-CB 3.9Å; L327-R449 HydrophobicContact CD2-CG 4.01Å; L327-R449 PolarHBondContact O-NE 2.97Å; L327-R449 PolarHBondContact O-NH2 2.95Å; L327-Y459 HydrophobicContact CB-CD2 3.55Å; L327-Y459 HydrophobicContact CB-CE2 3.74Å; L327-Y459 HydrophobicContact CD1-CE2 4.2Å
328	N	97.2	Very high	97.3	Very high	75 Å²	75	46.6 Å²	46.6	40%	0.401	23%	0.234	S	C	.	.	H	α-helix	trans	-65.5	-38.4	169	-86.2	-85.5	0	0	0	112.5	F324 Y326 Y459	F324-N328 PolarHBondContact O-N 3Å; F324-N328 VanDerWaalsContact O-N 3.08Å; F324-N328 PolarHBondContact O-ND2 2.65Å; Y326-N328 VanDerWaalsContact C-N 3.32Å; Y326-N328 PolarHBondContact O-N 3.19Å; N328-Y459 HydrophobicContact CB-CD1 4.48Å; N328-Y459 WeakPolarHBondContact ND2-CD1 3.36Å; N328-Y459 WeakPolarHBondContact ND2-CE1 3.09Å; N328-Y459 WeakPolarHBondContact OD1-CD1 3.45Å
329	R	96.6	Very high	97.4	Very high	169 Å²	169	46.8 Å²	46.8	64%	0.638	23%	0.234	S	C	*	.	H	α-helix	trans	-88.1	-32.4	-174.4	-67	173.1	-164.8	-168.6	6.5	113.6	D325 Y326	D325-R329 VanDerWaalsContact O-CG 3.29Å; D325-R329 WeakPolarHBondContact O-CG 3.42Å; D325-R329 PolarHBondContact O-N 2.73Å; Y326-R329 PolarHBondContact O-N 2.63Å; Y326-R329 VanDerWaalsContact O-N 3.13Å
330	Y	96.6	Very high	97.6	Very high	108 Å²	108	42.3 Å²	42.3	42%	0.424	21%	0.213	S	C	.	.			trans	-124.1	153	-169.7	-55.4	-71.2	0	0	0	112	Y326 L327 R449	Y326-Y330 HydrophobicContact CD1-CD2 4.39Å; Y326-Y330 AromaticContact CD2-CD2 3.48Å; Y326-Y330 HydrophobicContact CD2-CD2 3.48Å; Y326-Y330 VanDerWaalsContact CD2-CD2 3.48Å; Y326-Y330 AromaticContact CD2-CE2 3.81Å; Y326-Y330 HydrophobicContact CD2-CE2 3.81Å; Y326-Y330 HydrophobicContact CE1-CD2 4.41Å; Y326-Y330 AromaticContact CE2-CD2 3.53Å; Y326-Y330 HydrophobicContact CE2-CD2 3.53Å; Y326-Y330 AromaticContact CE2-CE2 3.88Å; Y326-Y330 HydrophobicContact CE2-CE2 3.88Å; Y326-Y330 HydrophobicContact CE2-CG 4.33Å; Y326-Y330 AromaticContact CG-CD2 3.95Å; Y326-Y330 HydrophobicContact CG-CD2 3.95Å; Y326-Y330 WeakPolarHBondContact O-CD2 3.35Å; Y326-Y330 PolarHBondContact O-N 3.03Å; L327-Y330 VanDerWaalsContact O-O 3.1Å; Y330-R449 PolarHBondContact O-NE 3.43Å; Y330-R449 PolarHBondContact O-NH2 2.89Å
331	T	97.3	Very high	97.7	Very high	60 Å²	60	40 Å²	40	37%	0.368	20%	0.202	S	C	.	.			trans	-94.8	155.1	156	54.5	0	0	0	0	108.8	R449 H456	T331-R449 WeakPolarHBondContact CA-O 3.47Å; T331-H456 HydrophobicContact CG2-CB 4.42Å; T331-H456 WeakPolarHBondContact CG2-CD2 3.49Å; T331-H456 WeakPolarHBondContact CG2-NE2 3.47Å
332	V	97.3	Very high	97.8	Very high	8 Å²	8	39.3 Å²	39.3	5%	0.048	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-113.7	152.5	178	-60.2	0	0	0	0	111.2	Y326 L327 M337 L340 R449 C450 S451	Y326-V332 HydrophobicContact CE1-CG1 3.98Å; L327-V332 HydrophobicContact CD2-CG1 4.39Å; V332-M337 HydrophobicContact CG2-CB 4.03Å; V332-L340 HydrophobicContact CG1-CD1 3.83Å; V332-R449 PolarHBondContact N-O 2.81Å; V332-C450 HydrophobicContact CG2-CB 4.37Å; V332-C450 CarbonylContact O-C 3.46Å; V332-C450 WeakPolarHBondContact O-CA 2.95Å; V332-S451 PolarHBondContact O-N 3.23Å
333	T	97.4	Very high	97.9	Very high	84 Å²	84	39 Å²	39	52%	0.515	19%	0.19	S	C	.	.			trans	-77.4	173.2	166.8	58.9	0	0	0	0	110.2	E335 G336 M337	T333-E335 PolarHBondContact O-N 3.47Å; T333-E335 PolarHBondContact OG1-N 2.88Å; T333-G336 PolarHBondContact O-N 3.1Å; T333-G336 VanDerWaalsContact O-N 3.12Å; T333-G336 PolarHBondContact OG1-N 3.12Å; T333-G336 VanDerWaalsContact OG1-N 3.08Å; T333-M337 PolarHBondContact O-N 2.88Å
334	V	97.3	Very high	97.9	Very high	33 Å²	33	39 Å²	39	20%	0.2	19%	0.19	C	C	.	.	H	α-helix	trans	-53.3	-43.3	168.7	174.5	0	0	0	0	111.1	M337 I338 V452 A498	V334-M337 HydrophobicContact CG1-CE 4.5Å; V334-M337 PolarHBondContact O-N 3.24Å; V334-I338 HydrophobicContact CG1-CD1 3.82Å; V334-I338 WeakPolarHBondContact O-CD1 3.45Å; V334-I338 WeakPolarHBondContact O-CG1 3.37Å; V334-I338 PolarHBondContact O-N 3.42Å; V334-V452 HydrophobicContact CG2-CG2 4.14Å; V334-A498 HydrophobicContact CG1-CB 3.45Å; V334-A498 VanDerWaalsContact CG1-CB 3.45Å
335	E	97.1	Very high	97.9	Very high	85 Å²	85	37.2 Å²	37.2	40%	0.397	18%	0.183	S	C	.	.	H	α-helix	trans	-60	-48.7	174	173.2	177.1	-176.2	0	0	112.4	T333 M337 I338 K339 I536	T333-E335 PolarHBondContact O-N 3.47Å; T333-E335 PolarHBondContact OG1-N 2.88Å; E335-M337 PolarHBondContact O-N 3.25Å; E335-I338 PolarHBondContact O-N 2.88Å; E335-K339 HydrophobicContact CG-CD 4.03Å; E335-K339 HydrophobicContact CG-CG 4.42Å; E335-K339 WeakPolarHBondContact O-CB 3.25Å; E335-K339 WeakPolarHBondContact O-CG 3.42Å; E335-K339 PolarHBondContact O-N 2.93Å; E335-K339 VanDerWaalsContact OE1-CE 3.29Å; E335-K339 WeakPolarHBondContact OE1-CE 3.42Å; E335-K339 IonicContact OE1-NZ 3.69Å; E335-K339 PolarHBondContact OE1-NZ 2.88Å; E335-I536 HydrophobicContact CB-CD1 3.99Å; E335-I536 HydrophobicContact CB-CG1 4.1Å; E335-I536 HydrophobicContact CG-CD1 4.1Å; E335-I536 HydrophobicContact CG-CG1 3.92Å; E335-I536 HydrophobicContact CG-CG2 3.82Å
336	G	97.9	Very high	98	Very high	17 Å²	17	35 Å²	35	18%	0.175	17%	0.172	C	C	.	.	H	α-helix	trans	-60.3	-44.2	178.3	0	0	0	0	0	112.4	T333 I338 K339 L340	T333-G336 PolarHBondContact O-N 3.1Å; T333-G336 VanDerWaalsContact O-N 3.12Å; T333-G336 PolarHBondContact OG1-N 3.12Å; T333-G336 VanDerWaalsContact OG1-N 3.08Å; G336-I338 VanDerWaalsContact C-N 3.34Å; G336-I338 PolarHBondContact O-N 3.31Å; G336-K339 PolarHBondContact O-N 2.86Å; G336-L340 WeakPolarHBondContact O-CB 3.34Å; G336-L340 VanDerWaalsContact O-CG 3.24Å; G336-L340 WeakPolarHBondContact O-CG 3.32Å; G336-L340 PolarHBondContact O-N 2.72Å
337	M	98.6	Very high	98	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-56.7	-46.8	174.5	175.1	-175.5	67.5	0	0	111.5	V332 T333 V334 E335 S341 I446 A447 C450 A498 L499 M502	V332-M337 HydrophobicContact CG2-CB 4.03Å; T333-M337 PolarHBondContact O-N 2.88Å; V334-M337 HydrophobicContact CG1-CE 4.5Å; V334-M337 PolarHBondContact O-N 3.24Å; E335-M337 PolarHBondContact O-N 3.25Å; M337-S341 VanDerWaalsContact O-CB 3.23Å; M337-S341 WeakPolarHBondContact O-CB 3.16Å; M337-S341 PolarHBondContact O-N 3.13Å; M337-S341 PolarHBondContact O-OG 2.79Å; M337-I446 HydrophobicContact CB-CG2 4.19Å; M337-I446 HydrophobicContact CG-CG2 3.92Å; M337-A447 HydrophobicContact SD-CB 4.09Å; M337-C450 HydrophobicContact CB-CB 4.31Å; M337-C450 HydrophobicContact SD-CB 3.8Å; M337-A498 HydrophobicContact CE-CB 3.67Å; M337-L499 HydrophobicContact CE-CD2 4.17Å; M337-L499 HydrophobicContact CE-CG 4.25Å; M337-L499 HydrophobicContact SD-CD2 3.56Å; M337-L499 VanDerWaalsContact SD-CD2 3.56Å; M337-L499 HydrophobicContact SD-CG 4.28Å; M337-M502 HydrophobicContact CE-CG 3.94Å; M337-M502 HydrophobicContact CG-CE 4.46Å; M337-M502 HydrophobicContact SD-CG 3.88Å
338	I	98.5	Very high	98.1	Very high	0 Å²	0	33 Å²	33	0%	0	16%	0.164	C	C	.	.	H	α-helix	trans	-66.5	-45.4	179.7	-68.4	163.1	0	0	0	110.7	V334 E335 G336 S341 L342 A498 L530 E534 I536	V334-I338 HydrophobicContact CG1-CD1 3.82Å; V334-I338 WeakPolarHBondContact O-CD1 3.45Å; V334-I338 WeakPolarHBondContact O-CG1 3.37Å; V334-I338 PolarHBondContact O-N 3.42Å; E335-I338 PolarHBondContact O-N 2.88Å; G336-I338 VanDerWaalsContact C-N 3.34Å; G336-I338 PolarHBondContact O-N 3.31Å; I338-S341 PolarHBondContact O-N 2.83Å; I338-L342 WeakPolarHBondContact O-CB 3.29Å; I338-L342 PolarHBondContact O-N 2.84Å; I338-A498 HydrophobicContact CD1-CB 4.17Å; I338-L530 HydrophobicContact CD1-CD2 3.88Å; I338-L530 HydrophobicContact CD1-CG 3.77Å; I338-L530 HydrophobicContact CG1-CD2 3.88Å; I338-L530 HydrophobicContact CG1-CG 4.24Å; I338-E534 HydrophobicContact CD1-CB 4.37Å; I338-E534 HydrophobicContact CD1-CG 3.81Å; I338-I536 HydrophobicContact CB-CD1 3.97Å; I338-I536 HydrophobicContact CD1-CD1 3.57Å; I338-I536 HydrophobicContact CG1-CD1 4.38Å; I338-I536 HydrophobicContact CG2-CD1 4.02Å
339	K	98.2	Very high	98.1	Very high	31 Å²	31	30 Å²	30	14%	0.135	15%	0.149	C	C	.	.	H	α-helix	trans	-58.2	-51.4	177.9	-79.4	-177.7	167.5	173.1	0	112.3	E335 G336 S341 S343 I536 K537 M538	E335-K339 HydrophobicContact CG-CD 4.03Å; E335-K339 HydrophobicContact CG-CG 4.42Å; E335-K339 WeakPolarHBondContact O-CB 3.25Å; E335-K339 WeakPolarHBondContact O-CG 3.42Å; E335-K339 PolarHBondContact O-N 2.93Å; E335-K339 VanDerWaalsContact OE1-CE 3.29Å; E335-K339 WeakPolarHBondContact OE1-CE 3.42Å; E335-K339 IonicContact OE1-NZ 3.69Å; E335-K339 PolarHBondContact OE1-NZ 2.88Å; G336-K339 PolarHBondContact O-N 2.86Å; K339-S341 PolarHBondContact O-N 3.28Å; K339-S343 VanDerWaalsContact O-CB 3.3Å; K339-S343 WeakPolarHBondContact O-CB 3.4Å; K339-S343 PolarHBondContact O-N 3.38Å; K339-S343 PolarHBondContact O-OG 3.14Å; K339-I536 HydrophobicContact CD-CG2 4.41Å; K339-I536 HydrophobicContact CG-CG2 4.19Å; K339-K537 WeakPolarHBondContact CE-O 3.37Å; K339-K537 PolarHBondContact NZ-O 2.88Å; K339-M538 HydrophobicContact CG-SD 3.92Å
340	L	98.8	Very high	98.2	Very high	2 Å²	2	23.3 Å²	23.3	1%	0.01	13%	0.125	C	C	.	.	H	α-helix	trans	-62.5	-42.4	178.6	-64.7	170.2	0	0	0	111.6	L323 Y326 V332 G336 S343 T344 V376 G380 C382 I446	L323-L340 HydrophobicContact CD1-CD1 4.08Å; L323-L340 HydrophobicContact CD1-CD2 4.19Å; Y326-L340 HydrophobicContact CD1-CD1 4.42Å; Y326-L340 HydrophobicContact CE1-CD1 4.2Å; V332-L340 HydrophobicContact CG1-CD1 3.83Å; G336-L340 WeakPolarHBondContact O-CB 3.34Å; G336-L340 VanDerWaalsContact O-CG 3.24Å; G336-L340 WeakPolarHBondContact O-CG 3.32Å; G336-L340 PolarHBondContact O-N 2.72Å; L340-S343 PolarHBondContact O-OG 3.46Å; L340-S343 VanDerWaalsContact O-OG 3.09Å; L340-T344 VanDerWaalsContact O-CB 3.31Å; L340-T344 WeakPolarHBondContact O-CB 3.15Å; L340-T344 PolarHBondContact O-N 2.99Å; L340-T344 VanDerWaalsContact O-N 3.14Å; L340-T344 PolarHBondContact O-OG1 2.95Å; L340-V376 HydrophobicContact CD2-CG1 4.01Å; L340-V376 HydrophobicContact CD2-CG2 4.04Å; L340-G380 WeakPolarHBondContact CD2-O 3.35Å; L340-C382 WeakPolarHBondContact CD2-SG 3.47Å; L340-I446 HydrophobicContact CB-CD1 4.08Å; L340-I446 HydrophobicContact CB-CG2 4.24Å; L340-I446 HydrophobicContact CD1-CG2 4.21Å
341	S	98.8	Very high	98.3	Very high	0 Å²	0	18.1 Å²	18.1	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-70.8	-44.6	-178.9	-55.3	0	0	0	0	112.5	M337 I338 K339 T344 A345 M502	M337-S341 VanDerWaalsContact O-CB 3.23Å; M337-S341 WeakPolarHBondContact O-CB 3.16Å; M337-S341 PolarHBondContact O-N 3.13Å; M337-S341 PolarHBondContact O-OG 2.79Å; I338-S341 PolarHBondContact O-N 2.83Å; K339-S341 PolarHBondContact O-N 3.28Å; S341-T344 PolarHBondContact O-N 3.12Å; S341-A345 WeakPolarHBondContact O-CB 3.47Å; S341-A345 PolarHBondContact O-N 3.5Å; S341-M502 WeakPolarHBondContact OG-CE 3.36Å
342	L	98.8	Very high	98.4	Very high	10 Å²	10	16.1 Å²	16.1	5%	0.052	9%	0.091	C	C	.	.	H	α-helix	trans	-68.8	-42.2	-178.2	176.5	51.7	0	0	0	111.7	I338 A345 S346 K524 L527 M538	I338-L342 WeakPolarHBondContact O-CB 3.29Å; I338-L342 PolarHBondContact O-N 2.84Å; L342-A345 PolarHBondContact O-N 2.86Å; L342-S346 WeakPolarHBondContact O-CB 3.01Å; L342-S346 PolarHBondContact O-N 2.8Å; L342-K524 HydrophobicContact CD1-CG 3.95Å; L342-K524 WeakPolarHBondContact CD1-O 3.17Å; L342-L527 HydrophobicContact CB-CB 4.02Å; L342-L527 HydrophobicContact CD1-CB 3.87Å; L342-L527 HydrophobicContact CG-CB 4.39Å; L342-M538 HydrophobicContact CB-CE 4.15Å; L342-M538 HydrophobicContact CD2-CE 3.7Å; L342-M538 HydrophobicContact CD2-CG 4.28Å; L342-M538 HydrophobicContact CD2-SD 3.77Å; L342-M538 HydrophobicContact CG-CE 3.82Å; L342-M538 HydrophobicContact CG-SD 4.49Å
343	S	98.8	Very high	98.3	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.007	11%	0.109	C	C	.	.	H	α-helix	trans	-63.5	-44.2	174.4	52.7	0	0	0	0	111.9	N293 K339 L340 A345 S346 G347 C382	N293-S343 WeakPolarHBondContact CB-O 3.41Å; N293-S343 VanDerWaalsContact CG-O 3.29Å; N293-S343 VanDerWaalsContact ND2-CB 3.32Å; N293-S343 WeakPolarHBondContact ND2-CB 3.5Å; K339-S343 VanDerWaalsContact O-CB 3.3Å; K339-S343 WeakPolarHBondContact O-CB 3.4Å; K339-S343 PolarHBondContact O-N 3.38Å; K339-S343 PolarHBondContact O-OG 3.14Å; L340-S343 PolarHBondContact O-OG 3.46Å; L340-S343 VanDerWaalsContact O-OG 3.09Å; S343-A345 PolarHBondContact O-N 3.06Å; S343-S346 WeakPolarHBondContact O-CB 3.43Å; S343-S346 PolarHBondContact O-N 3.35Å; S343-G347 PolarHBondContact O-N 3.19Å; S343-C382 WeakPolarHBondContact OG-CB 3.49Å; S343-C382 PolarHBondContact OG-N 2.93Å
344	T	98.9	Very high	98.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-58.3	-49.3	173.2	-57.6	0	0	0	0	111.7	L340 S341 S346 G347 L348 I374 C382 M439	L340-T344 VanDerWaalsContact O-CB 3.31Å; L340-T344 WeakPolarHBondContact O-CB 3.15Å; L340-T344 PolarHBondContact O-N 2.99Å; L340-T344 VanDerWaalsContact O-N 3.14Å; L340-T344 PolarHBondContact O-OG1 2.95Å; S341-T344 PolarHBondContact O-N 3.12Å; T344-S346 VanDerWaalsContact C-N 3.27Å; T344-S346 PolarHBondContact O-N 2.94Å; T344-G347 PolarHBondContact O-N 2.97Å; T344-L348 PolarHBondContact O-N 3.19Å; T344-I374 HydrophobicContact CG2-CD1 3.71Å; T344-I374 HydrophobicContact CG2-CG1 4.48Å; T344-C382 WeakPolarHBondContact OG1-CB 3.47Å; T344-M439 HydrophobicContact CG2-CG 4.42Å; T344-M439 HydrophobicContact CG2-SD 4.37Å
345	A	98.9	Very high	97.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-61.5	-35	176.6	0	0	0	0	0	112.7	S341 L342 S343 A349 M439 F443 I523 K524 L527	S341-A345 WeakPolarHBondContact O-CB 3.47Å; S341-A345 PolarHBondContact O-N 3.5Å; L342-A345 PolarHBondContact O-N 2.86Å; S343-A345 PolarHBondContact O-N 3.06Å; A345-A349 WeakPolarHBondContact O-CB 3.4Å; A345-A349 PolarHBondContact O-N 2.68Å; A345-M439 HydrophobicContact CB-SD 4.36Å; A345-F443 HydrophobicContact CB-CZ 4.24Å; A345-I523 HydrophobicContact CB-CB 4.48Å; A345-I523 HydrophobicContact CB-CG2 3.73Å; A345-K524 HydrophobicContact CB-CB 4.39Å; A345-L527 HydrophobicContact CB-CD1 4.13Å
346	S	98.8	Very high	97.5	Very high	11 Å²	11	22.7 Å²	22.7	8%	0.077	12%	0.124	C	C	.	.	H	α-helix	trans	-67.2	-42.7	177.2	-175.3	0	0	0	0	112	H291 N293 L342 S343 T344 H350 K524	H291-S346 PolarHBondContact CE1-OG 2.91Å; N293-S346 VanDerWaalsContact OD1-CB 3.24Å; N293-S346 WeakPolarHBondContact OD1-CB 3.32Å; N293-S346 PolarHBondContact OD1-OG 3.22Å; N293-S346 VanDerWaalsContact OD1-OG 3.07Å; L342-S346 WeakPolarHBondContact O-CB 3.01Å; L342-S346 PolarHBondContact O-N 2.8Å; S343-S346 WeakPolarHBondContact O-CB 3.43Å; S343-S346 PolarHBondContact O-N 3.35Å; T344-S346 VanDerWaalsContact C-N 3.27Å; T344-S346 PolarHBondContact O-N 2.94Å; S346-H350 PolarHBondContact O-N 3.45Å; S346-H350 VanDerWaalsContact O-N 3.09Å; S346-K524 WeakPolarHBondContact OG-CE 3.29Å; S346-K524 PolarHBondContact OG-NZ 2.81Å
347	G	98.8	Very high	96.7	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-61.4	-50.7	172.7	0	0	0	0	0	112	N293 S343 T344 A349 H350 L351	N293-G347 WeakPolarHBondContact O-CA 3.3Å; S343-G347 PolarHBondContact O-N 3.19Å; T344-G347 PolarHBondContact O-N 2.97Å; G347-A349 VanDerWaalsContact C-N 3.32Å; G347-A349 PolarHBondContact O-N 2.68Å; G347-H350 WeakPolarHBondContact O-CB 3.46Å; G347-H350 PolarHBondContact O-N 3.01Å; G347-H350 VanDerWaalsContact O-N 3.08Å; G347-L351 PolarHBondContact O-N 3.03Å
348	L	98.9	Very high	95.5	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-64.9	-37.5	-179	-168.3	65.9	0	0	0	112	T344 H350 L351 H352 L369 I384 D435 I436 M439 A520	T344-L348 PolarHBondContact O-N 3.19Å; L348-H350 VanDerWaalsContact C-N 3.3Å; L348-H350 PolarHBondContact O-N 3.01Å; L348-L351 HydrophobicContact CD1-CD1 4.3Å; L348-L351 PolarHBondContact O-N 3.08Å; L348-H352 WeakPolarHBondContact CD1-NE2 3.36Å; L348-H352 WeakPolarHBondContact O-CB 3.18Å; L348-H352 PolarHBondContact O-N 3.09Å; L348-L369 HydrophobicContact CD1-CD2 4.22Å; L348-L369 HydrophobicContact CD2-CD2 3.88Å; L348-I384 HydrophobicContact CB-CD1 3.91Å; L348-I384 HydrophobicContact CD1-CD1 4.39Å; L348-I384 VanDerWaalsContact N-CD1 3.34Å; L348-D435 HydrophobicContact CD1-CB 4.07Å; L348-D435 HydrophobicContact CD2-CB 4.13Å; L348-I436 HydrophobicContact CD2-CD1 4.01Å; L348-M439 HydrophobicContact CB-SD 4.18Å; L348-M439 HydrophobicContact CD2-CB 4.17Å; L348-M439 HydrophobicContact CD2-CE 3.76Å; L348-M439 HydrophobicContact CD2-CG 4.43Å; L348-M439 HydrophobicContact CD2-SD 3.56Å; L348-M439 VanDerWaalsContact CD2-SD 3.56Å; L348-A520 HydrophobicContact CB-CB 4.13Å; L348-A520 HydrophobicContact CD2-CB 4.16Å; L348-A520 HydrophobicContact CG-CB 4.06Å
349	A	98.8	Very high	94.6	Very high	10 Å²	10	35.7 Å²	35.7	8%	0.083	21%	0.205	C	C	.	.	H	α-helix	trans	-62.4	-36.5	173.8	0	0	0	0	0	112.3	A345 G347 M353 A520 K524	A345-A349 WeakPolarHBondContact O-CB 3.4Å; A345-A349 PolarHBondContact O-N 2.68Å; G347-A349 VanDerWaalsContact C-N 3.32Å; G347-A349 PolarHBondContact O-N 2.68Å; A349-M353 WeakPolarHBondContact O-CB 3.37Å; A349-M353 PolarHBondContact O-N 2.82Å; A349-M353 VanDerWaalsContact O-N 3.12Å; A349-A520 HydrophobicContact CB-CB 3.92Å; A349-K524 HydrophobicContact CB-CD 4.41Å
350	H	98.6	Very high	93.9	Very high	29 Å²	29	35.5 Å²	35.5	13%	0.134	21%	0.212	C	C	.	.	H	α-helix	trans	-68.5	-41.4	174.8	-179.1	78.1	0	0	0	112.2	M288 H291 S346 G347 L348 K361	M288-H350 PolarHBondContact O-NE2 3.29Å; H291-H350 HydrophobicContact CB-CB 4.4Å; H291-H350 VanDerWaalsContact CB-CD2 3.5Å; H291-H350 WeakPolarHBondContact CB-CD2 3.46Å; H291-H350 AromaticContact CD2-CE1 3.87Å; H291-H350 AromaticContact CD2-CG 3.9Å; H291-H350 AromaticContact CD2-ND1 3.9Å; H291-H350 AromaticContact CG-CD2 3.97Å; H291-H350 AromaticContact CG-CG 3.67Å; S346-H350 PolarHBondContact O-N 3.45Å; S346-H350 VanDerWaalsContact O-N 3.09Å; G347-H350 WeakPolarHBondContact O-CB 3.46Å; G347-H350 PolarHBondContact O-N 3.01Å; G347-H350 VanDerWaalsContact O-N 3.08Å; L348-H350 VanDerWaalsContact C-N 3.3Å; L348-H350 PolarHBondContact O-N 3.01Å; H350-K361 WeakPolarHBondContact O-CE 3.49Å; H350-K361 PolarHBondContact O-NZ 3.3Å; H350-K361 VanDerWaalsContact O-NZ 3.1Å
351	L	98.4	Very high	93.7	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-58.7	-53.3	172.9	-69.3	172.6	0	0	0	111.2	L289 I294 G347 L348 M353 K361 I364 I384 L387	L289-L351 HydrophobicContact CD1-CD2 3.65Å; I294-L351 HydrophobicContact CD1-CD1 3.94Å; I294-L351 HydrophobicContact CD1-CD2 3.94Å; I294-L351 HydrophobicContact CD1-CG 3.67Å; G347-L351 PolarHBondContact O-N 3.03Å; L348-L351 HydrophobicContact CD1-CD1 4.3Å; L348-L351 PolarHBondContact O-N 3.08Å; L351-M353 VanDerWaalsContact C-N 3.28Å; L351-M353 PolarHBondContact O-N 3.42Å; L351-K361 PolarHBondContact O-NZ 3.38Å; L351-I364 CarbonylContact C-O 3.55Å; L351-I364 VanDerWaalsContact C-O 3.25Å; L351-I364 HydrophobicContact CB-CB 4.39Å; L351-I364 HydrophobicContact CD2-CB 4.29Å; L351-I364 HydrophobicContact CD2-CD1 4.47Å; L351-I364 HydrophobicContact CD2-CG2 4.14Å; L351-I364 PolarHBondContact O-N 3.47Å; L351-I384 HydrophobicContact CD1-CD1 4.22Å; L351-I384 HydrophobicContact CD1-CG2 4.33Å; L351-L387 HydrophobicContact CD1-CD2 4.34Å
352	H	98.4	Very high	93.5	Very high	17 Å²	17	37 Å²	37	8%	0.079	22%	0.222	C	C	.	.	H	α-helix	trans	-67.2	-22.1	-174.4	-75.9	-165.7	0	0	0	114.8	L348 I364 K432 D435	L348-H352 WeakPolarHBondContact CD1-NE2 3.36Å; L348-H352 WeakPolarHBondContact O-CB 3.18Å; L348-H352 PolarHBondContact O-N 3.09Å; H352-I364 PolarHBondContact CD2-O 3.07Å; H352-I364 PolarHBondContact N-O 2.86Å; H352-K432 HydrophobicContact CB-CD 4.02Å; H352-K432 HydrophobicContact CB-CG 4.43Å; H352-K432 PolarHBondContact CE1-O 3.35Å; H352-K432 WeakPolarHBondContact O-CE 3.4Å; H352-K432 PolarHBondContact O-NZ 2.91Å; H352-D435 IonicContact CD2-OD2 2.71Å; H352-D435 IonicContact CE1-OD2 3.64Å; H352-D435 IonicContact NE2-OD2 3.78Å; H352-D435 PolarHBondContact NE2-OD2 2.79Å
353	M	96.6	Very high	93.3	Very high	84 Å²	84	36.7 Å²	36.7	41%	0.414	22%	0.22	S	C	.	.			trans	-81.4	130	-178.5	178.3	167.1	62.4	0	0	111	A349 L351 K361	A349-M353 WeakPolarHBondContact O-CB 3.37Å; A349-M353 PolarHBondContact O-N 2.82Å; A349-M353 VanDerWaalsContact O-N 3.12Å; L351-M353 VanDerWaalsContact C-N 3.28Å; L351-M353 PolarHBondContact O-N 3.42Å; M353-K361 WeakPolarHBondContact O-CE 3.49Å; M353-K361 PolarHBondContact O-NZ 2.96Å
354	E	94.4	Very high	93.3	Very high	79 Å²	79	36.6 Å²	36.6	37%	0.369	22%	0.22	S	C	.	.			trans	-79.2	142.4	164.6	-171.4	180	-179.3	0	0	109.5	K361 A363 S395	E354-K361 WeakPolarHBondContact CA-O 3.44Å; E354-A363 HydrophobicContact CB-CB 4.31Å; E354-S395 VanDerWaalsContact OE1-CB 3.25Å; E354-S395 WeakPolarHBondContact OE1-CB 3.18Å; E354-S395 PolarHBondContact OE1-OG 3.38Å
355	I	91.4	Very high	93.2	Very high	55 Å²	55	36.6 Å²	36.6	28%	0.282	22%	0.22	S	C	.	.	B	Isolated β-bridge	trans	-118.5	110.3	173.2	-57.2	175.3	0	0	0	107	M288 G360 K361	M288-I355 HydrophobicContact CB-CD1 4.38Å; I355-G360 CarbonylContact O-C 3.52Å; I355-G360 WeakPolarHBondContact O-CA 3.37Å; I355-K361 HydrophobicContact CB-CB 3.88Å; I355-K361 HydrophobicContact CD1-CB 3.98Å; I355-K361 HydrophobicContact CD1-CD 4.35Å; I355-K361 HydrophobicContact CG1-CB 4.04Å; I355-K361 PolarHBondContact N-O 2.84Å; I355-K361 PolarHBondContact O-N 3.18Å
356	V	88.2	Confident	93.1	Very high	130 Å²	130	36.6 Å²	36.6	79%	0.788	22%	0.22	S	C	*	.			trans	-82.5	133	-179.1	-177.7	0	0	0	0	110.2
357	G	82.1	Confident	93	Very high	53 Å²	53	37.8 Å²	37.8	55%	0.546	22%	0.222	S	C	.	.	S	Bend	trans	165.4	178.3	177.1	0	0	0	0	0	112.4	Q359 G360	G357-Q359 PolarHBondContact O-N 2.84Å; G357-G360 PolarHBondContact O-N 2.9Å
358	T	73.2	Confident	92.9	Very high	147 Å²	147	38.3 Å²	38.3	90%	0.902	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.1	175.4	49.1	0	0	0	0	113.3
359	Q	78.5	Confident	92.9	Very high	90 Å²	90	38.4 Å²	38.4	42%	0.421	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-122.3	56	171.5	-70.1	-62.6	-38.7	0	0	108.3	V287 M288 G357	V287-Q359 HydrophobicContact CG1-CB 3.78Å; V287-Q359 WeakPolarHBondContact CG1-O 3.19Å; M288-Q359 HydrophobicContact CE-CB 4.41Å; M288-Q359 WeakPolarHBondContact CG-O 3.24Å; G357-Q359 PolarHBondContact O-N 2.84Å
360	G	84.6	Confident	92.9	Very high	28 Å²	28	39 Å²	39	29%	0.289	23%	0.227	S	C	.	.			trans	-71.3	155.1	-176.5	0	0	0	0	0	113.7	I355 G357	I355-G360 CarbonylContact O-C 3.52Å; I355-G360 WeakPolarHBondContact O-CA 3.37Å; G357-G360 PolarHBondContact O-N 2.9Å
361	K	93.1	Very high	92.9	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.009	22%	0.22	C	C	.	.	B	Isolated β-bridge	trans	-104.6	120.2	171.4	-165.6	-169.9	69.2	64.2	0	109.3	T286 V287 M288 L289 H350 L351 M353 E354 I355	T286-K361 HydrophobicContact CG2-CG 4.16Å; V287-K361 WeakPolarHBondContact O-CB 3.24Å; V287-K361 WeakPolarHBondContact O-CG 3.37Å; M288-K361 HydrophobicContact CB-CB 4.2Å; L289-K361 HydrophobicContact CD1-CD 4.48Å; H350-K361 WeakPolarHBondContact O-CE 3.49Å; H350-K361 PolarHBondContact O-NZ 3.3Å; H350-K361 VanDerWaalsContact O-NZ 3.1Å; L351-K361 PolarHBondContact O-NZ 3.38Å; M353-K361 WeakPolarHBondContact O-CE 3.49Å; M353-K361 PolarHBondContact O-NZ 2.96Å; E354-K361 WeakPolarHBondContact CA-O 3.44Å; I355-K361 HydrophobicContact CB-CB 3.88Å; I355-K361 HydrophobicContact CD1-CB 3.98Å; I355-K361 HydrophobicContact CD1-CD 4.35Å; I355-K361 HydrophobicContact CG1-CB 4.04Å; I355-K361 PolarHBondContact N-O 2.84Å; I355-K361 PolarHBondContact O-N 3.18Å
362	P	94.5	Very high	92.8	Very high	32 Å²	32	43.1 Å²	43.1	21%	0.208	24%	0.244	C	C	.	.			trans	-61	155.1	170	25.9	-33	0	0	0	110.7	T286 R392 H393	T286-P362 HydrophobicContact CG2-CG 3.89Å; P362-R392 HydrophobicContact CB-CB 4.34Å; P362-R392 HydrophobicContact CG-CB 4.41Å; P362-R392 HydrophobicContact CG-CG 4.1Å; P362-H393 VanDerWaalsContact CB-O 3.24Å; P362-H393 WeakPolarHBondContact CB-O 3.42Å
363	A	96.3	Very high	92.8	Very high	2 Å²	2	43 Å²	43	2%	0.017	24%	0.244	C	C	.	.			trans	-68.3	138.5	168.9	0	0	0	0	0	109.5	E354 R392 H393 F428	E354-A363 HydrophobicContact CB-CB 4.31Å; A363-R392 WeakPolarHBondContact O-CA 3.26Å; A363-H393 HydrophobicContact CB-CB 4.32Å; A363-H393 PolarHBondContact O-N 2.71Å; A363-F428 HydrophobicContact CB-CD1 4.23Å; A363-F428 HydrophobicContact CB-CE1 3.54Å; A363-F428 HydrophobicContact CB-CZ 4.27Å; A363-F428 WeakPolarHBondContact O-CZ 3.03Å
364	I	97.3	Very high	92.9	Very high	0 Å²	0	39 Å²	39	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	133.9	-177	-61.5	169.3	0	0	0	108.9	T286 L289 L351 H352 A390 V391 R392	T286-I364 HydrophobicContact CG2-CD1 4.33Å; L289-I364 HydrophobicContact CD1-CD1 3.97Å; L351-I364 CarbonylContact C-O 3.55Å; L351-I364 VanDerWaalsContact C-O 3.25Å; L351-I364 HydrophobicContact CB-CB 4.39Å; L351-I364 HydrophobicContact CD2-CB 4.29Å; L351-I364 HydrophobicContact CD2-CD1 4.47Å; L351-I364 HydrophobicContact CD2-CG2 4.14Å; L351-I364 PolarHBondContact O-N 3.47Å; H352-I364 PolarHBondContact CD2-O 3.07Å; H352-I364 PolarHBondContact N-O 2.86Å; I364-A390 HydrophobicContact CG2-CB 3.95Å; I364-V391 WeakPolarHBondContact CA-O 3.41Å; I364-R392 HydrophobicContact CG1-CG 4.16Å
365	A	97.4	Very high	93.1	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139	169.9	0	0	0	0	0	109.6	A390 V391 F428 F431 D435	A365-A390 CarbonylContact O-C 3.55Å; A365-A390 WeakPolarHBondContact O-CA 3.26Å; A365-A390 WeakPolarHBondContact O-CB 3.25Å; A365-V391 HydrophobicContact CB-CG2 4.08Å; A365-V391 PolarHBondContact N-O 2.82Å; A365-V391 PolarHBondContact O-N 2.85Å; A365-F428 HydrophobicContact CB-CE2 4.23Å; A365-F428 HydrophobicContact CB-CZ 3.91Å; A365-F431 HydrophobicContact CB-CB 3.49Å; A365-F431 VanDerWaalsContact CB-CB 3.49Å; A365-D435 WeakPolarHBondContact CA-OD2 3.48Å
366	H	97.8	Very high	93.4	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.202	C	C	.	.			trans	-82.3	-39.6	-166.7	-172.1	-79.8	0	0	0	113.3	D368 L369 I384 A385 L387 D435	H366-D368 VanDerWaalsContact CE1-C 3.47Å; H366-D368 PolarHBondContact CE1-O 3Å; H366-D368 VanDerWaalsContact CE1-O 3.29Å; H366-D368 PolarHBondContact ND1-N 3.12Å; H366-D368 PolarHBondContact O-N 3.29Å; H366-L369 WeakPolarHBondContact ND1-CA 3.15Å; H366-L369 PolarHBondContact ND1-N 2.94Å; H366-I384 VanDerWaalsContact CD2-CG2 3.41Å; H366-I384 WeakPolarHBondContact CD2-CG2 3.2Å; H366-I384 WeakPolarHBondContact NE2-CG2 3.36Å; H366-A385 PolarHBondContact NE2-O 2.84Å; H366-A385 VanDerWaalsContact NE2-O 3.13Å; H366-L387 VanDerWaalsContact CD2-CD2 3.45Å; H366-L387 WeakPolarHBondContact CD2-CD2 3.43Å; H366-D435 PolarHBondContact N-OD1 3.4Å; H366-D435 PolarHBondContact N-OD2 3.32Å
367	R	96.1	Very high	93.9	Very high	35 Å²	35	29.8 Å²	29.8	13%	0.132	17%	0.172	C	C	.	.	S	Bend	trans	63.9	-14.2	177.9	-60.9	179.3	63.1	-154.8	10	117.5	V391 N405 H406 V408 F431 D435	R367-V391 HydrophobicContact CG-CG2 4.29Å; R367-N405 PolarHBondContact NH2-O 3.1Å; R367-H406 PolarHBondContact NH2-O 2.92Å; R367-V408 VanDerWaalsContact CZ-CG2 3.41Å; R367-F431 HydrophobicContact CG-CD1 4.03Å; R367-D435 PolarHBondContact N-OD1 3.42Å
368	D	96.8	Very high	94.5	Very high	11 Å²	11	34.8 Å²	34.8	6%	0.059	18%	0.178	C	C	.	.			trans	-134.1	43.2	174	-164.2	17.3	0	0	0	113.4	H366 K370 N373 L389 G409 T410	H366-D368 VanDerWaalsContact CE1-C 3.47Å; H366-D368 PolarHBondContact CE1-O 3Å; H366-D368 VanDerWaalsContact CE1-O 3.29Å; H366-D368 PolarHBondContact ND1-N 3.12Å; H366-D368 PolarHBondContact O-N 3.29Å; D368-K370 PolarHBondContact O-N 3.01Å; D368-K370 IonicContact OD1-NZ 3.34Å; D368-K370 PolarHBondContact OD1-NZ 3.43Å; D368-K370 IonicContact OD2-NZ 3.4Å; D368-K370 PolarHBondContact OD2-NZ 3.14Å; D368-N373 PolarHBondContact O-ND2 3.39Å; D368-L389 HydrophobicContact CB-CB 4.41Å; D368-L389 HydrophobicContact CB-CD1 3.77Å; D368-G409 VanDerWaalsContact CG-CA 3.49Å; D368-G409 WeakPolarHBondContact OD1-CA 3.16Å; D368-T410 PolarHBondContact OD1-N 3.29Å; D368-T410 PolarHBondContact OD1-OG1 2.61Å
369	L	98.5	Very high	95.5	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	16%	0.156	C	C	.	.			trans	-74	125.1	-177.4	-171.8	69.7	0	0	0	110.3	L348 H366 I374 I384 A438 M439	L348-L369 HydrophobicContact CD1-CD2 4.22Å; L348-L369 HydrophobicContact CD2-CD2 3.88Å; H366-L369 WeakPolarHBondContact ND1-CA 3.15Å; H366-L369 PolarHBondContact ND1-N 2.94Å; L369-I374 HydrophobicContact CD1-CD1 4.11Å; L369-I374 HydrophobicContact CD1-CG1 4.17Å; L369-I384 HydrophobicContact CD1-CD1 4.21Å; L369-I384 HydrophobicContact CD1-CG2 4.08Å; L369-A438 HydrophobicContact CB-CB 4.16Å; L369-A438 WeakPolarHBondContact O-CB 3.25Å; L369-M439 HydrophobicContact CD2-CB 3.7Å; L369-M439 HydrophobicContact CD2-CG 4.28Å
370	K	98.4	Very high	96.3	Very high	24 Å²	24	28.2 Å²	28.2	10%	0.104	15%	0.145	C	C	.	.	S	Bend	trans	-163	163.4	-178.5	64	-155.6	-179.5	-148.3	0	109.9	D368 K372 N373 T410 Y413	D368-K370 PolarHBondContact O-N 3.01Å; D368-K370 IonicContact OD1-NZ 3.34Å; D368-K370 PolarHBondContact OD1-NZ 3.43Å; D368-K370 IonicContact OD2-NZ 3.4Å; D368-K370 PolarHBondContact OD2-NZ 3.14Å; K370-K372 HydrophobicContact CG-CB 4.25Å; K370-K372 PolarHBondContact O-N 2.72Å; K370-K372 VanDerWaalsContact O-N 3.15Å; K370-N373 VanDerWaalsContact CE-CG 3.4Å; K370-N373 WeakPolarHBondContact CE-ND2 3.45Å; K370-N373 WeakPolarHBondContact CE-OD1 3.44Å; K370-N373 HydrophobicContact CG-CB 4.09Å; K370-N373 PolarHBondContact O-N 3.25Å; K370-T410 HydrophobicContact CD-CG2 4.36Å; K370-T410 VanDerWaalsContact CD-OG1 3.25Å; K370-T410 WeakPolarHBondContact CD-OG1 3.04Å; K370-T410 WeakPolarHBondContact CE-OG1 3.23Å; K370-T410 PolarHBondContact NZ-OG1 3.39Å; K370-Y413 HydrophobicContact CB-CD1 3.98Å; K370-Y413 HydrophobicContact CB-CD2 3.8Å; K370-Y413 HydrophobicContact CB-CE1 3.91Å; K370-Y413 HydrophobicContact CB-CE2 3.74Å; K370-Y413 HydrophobicContact CB-CG 3.93Å
371	S	98.5	Very high	97	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.133	C	C	.	.	G	3₁₀ helix	trans	-59.1	-26.1	-179.8	53.5	0	0	0	0	114.5	L323 F324 N373 Y413 E445	L323-S371 WeakPolarHBondContact CB-O 3.43Å; L323-S371 PolarHBondContact N-O 2.84Å; F324-S371 PolarHBondContact N-O 2.78Å; S371-N373 VanDerWaalsContact C-N 3.34Å; S371-Y413 PolarHBondContact OG-OH 2.86Å; S371-E445 WeakPolarHBondContact CB-OE2 3.35Å; S371-E445 PolarHBondContact OG-OE1 2.92Å; S371-E445 PolarHBondContact OG-OE2 3.04Å
372	K	97.1	Very high	97.3	Very high	115 Å²	115	26.9 Å²	26.9	50%	0.5	13%	0.132	S	C	.	.	G	3₁₀ helix	trans	-72	-22.2	172.1	-70	-169.9	173.9	-168.3	0	114.6	S322 F324 K370	S322-K372 WeakPolarHBondContact CB-O 3.42Å; F324-K372 HydrophobicContact CB-CB 4.47Å; F324-K372 HydrophobicContact CB-CG 3.55Å; F324-K372 HydrophobicContact CD1-CD 4.49Å; F324-K372 HydrophobicContact CD1-CG 4.15Å; F324-K372 HydrophobicContact CD2-CD 4.43Å; F324-K372 HydrophobicContact CD2-CG 3.99Å; F324-K372 HydrophobicContact CG-CD 4.29Å; F324-K372 HydrophobicContact CG-CG 3.64Å; K370-K372 HydrophobicContact CG-CB 4.25Å; K370-K372 PolarHBondContact O-N 2.72Å; K370-K372 VanDerWaalsContact O-N 3.15Å
373	N	97.9	Very high	97.5	Very high	14 Å²	14	25.4 Å²	25.4	8%	0.075	12%	0.122	C	C	.	.	G	3₁₀ helix	trans	-104.7	17.7	-178.6	-70	17.1	0	0	0	112.1	D368 K370 S371 A385 D386	D368-N373 PolarHBondContact O-ND2 3.39Å; K370-N373 VanDerWaalsContact CE-CG 3.4Å; K370-N373 WeakPolarHBondContact CE-ND2 3.45Å; K370-N373 WeakPolarHBondContact CE-OD1 3.44Å; K370-N373 HydrophobicContact CG-CB 4.09Å; K370-N373 PolarHBondContact O-N 3.25Å; S371-N373 VanDerWaalsContact C-N 3.34Å; N373-A385 PolarHBondContact O-N 2.93Å; N373-D386 HydrophobicContact CB-CB 4.23Å; N373-D386 WeakPolarHBondContact ND2-CB 3.5Å; N373-D386 PolarHBondContact ND2-OD2 3.1Å
374	I	98.8	Very high	97.6	Very high	0 Å²	0	25.3 Å²	25.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.4	172.3	-62.9	161.7	0	0	0	105.5	S322 L323 T344 L369 C382 C383 V442	S322-I374 CarbonylContact C-O 3.59Å; S322-I374 VanDerWaalsContact CA-O 3.25Å; S322-I374 WeakPolarHBondContact CA-O 3.34Å; L323-I374 HydrophobicContact CB-CB 4.12Å; L323-I374 HydrophobicContact CB-CG2 4.14Å; L323-I374 HydrophobicContact CD2-CB 4.38Å; L323-I374 HydrophobicContact CD2-CD1 4.3Å; L323-I374 HydrophobicContact CD2-CG2 4.16Å; L323-I374 PolarHBondContact N-O 3.21Å; T344-I374 HydrophobicContact CG2-CD1 3.71Å; T344-I374 HydrophobicContact CG2-CG1 4.48Å; L369-I374 HydrophobicContact CD1-CD1 4.11Å; L369-I374 HydrophobicContact CD1-CG1 4.17Å; I374-C382 HydrophobicContact CG2-CB 3.6Å; I374-C383 CarbonylContact C-O 3.55Å; I374-C383 WeakPolarHBondContact CA-O 3.49Å; I374-V442 HydrophobicContact CD1-CG1 3.76Å; I374-V442 HydrophobicContact CD1-CG2 4.21Å
375	L	98.5	Very high	97.5	Very high	35 Å²	35	25.6 Å²	25.6	18%	0.183	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	145	179.2	-58	-180	0	0	0	110.4	L295 H318 G321 C382 C383 A385	L295-L375 HydrophobicContact CD1-CD1 4Å; L295-L375 HydrophobicContact CD2-CD1 4.11Å; H318-L375 HydrophobicContact CB-CB 4.4Å; G321-L375 WeakPolarHBondContact O-CA 3.34Å; L375-C382 CarbonylContact O-C 3.5Å; L375-C382 VanDerWaalsContact O-CA 3.25Å; L375-C382 WeakPolarHBondContact O-CA 3.39Å; L375-C383 PolarHBondContact N-O 2.87Å; L375-C383 PolarHBondContact O-N 3.46Å; L375-A385 HydrophobicContact CD1-CB 4.17Å; L375-A385 HydrophobicContact CG-CB 4.08Å
376	V	98.7	Very high	97.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	129.8	176.4	-177.2	0	0	0	0	109.6	H320 G321 L323 Y326 L340	H320-V376 HydrophobicContact CB-CB 3.94Å; H320-V376 HydrophobicContact CB-CG1 4.15Å; G321-V376 PolarHBondContact O-N 3.23Å; L323-V376 HydrophobicContact CB-CG2 4.12Å; L323-V376 HydrophobicContact CD1-CG2 3.87Å; Y326-V376 HydrophobicContact CD1-CG2 4.27Å; Y326-V376 HydrophobicContact CD2-CB 4.27Å; Y326-V376 HydrophobicContact CD2-CG1 3.99Å; Y326-V376 HydrophobicContact CD2-CG2 4.43Å; Y326-V376 HydrophobicContact CE2-CG1 4.06Å; Y326-V376 HydrophobicContact CG-CB 4.27Å; Y326-V376 HydrophobicContact CG-CG1 4.2Å; Y326-V376 HydrophobicContact CG-CG2 3.93Å; L340-V376 HydrophobicContact CD2-CG1 4.01Å; L340-V376 HydrophobicContact CD2-CG2 4.04Å
377	K	97.7	Very high	97.2	Very high	35 Å²	35	27.2 Å²	27.2	15%	0.152	13%	0.133	C	C	.	.	P	Polyproline II helix	trans	-89.7	161.1	178.5	-62.4	-170.9	-176.7	-170.9	0	111.9	E292 H320 N379 G380 T381	E292-K377 WeakPolarHBondContact O-CE 3.06Å; E292-K377 PolarHBondContact O-NZ 2.03Å; H320-K377 PolarHBondContact CD2-O 2.79Å; K377-N379 VanDerWaalsContact CB-OD1 3.23Å; K377-N379 WeakPolarHBondContact CB-OD1 3Å; K377-N379 PolarHBondContact O-N 2.85Å; K377-N379 VanDerWaalsContact O-N 3.1Å; K377-G380 PolarHBondContact O-N 3.27Å; K377-T381 WeakPolarHBondContact CB-O 3.48Å; K377-T381 PolarHBondContact N-O 3.37Å
378	K	95.6	Very high	97	Very high	158 Å²	158	25.8 Å²	25.8	69%	0.687	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-27.4	175.7	-166.8	-178.6	-161.4	104.5	0	114.7	E319 G380	E319-K378 VanDerWaalsContact OE1-CD 3.26Å; E319-K378 WeakPolarHBondContact OE1-CD 3.32Å; E319-K378 WeakPolarHBondContact OE1-CE 3.37Å; E319-K378 VanDerWaalsContact OE1-CG 3.25Å; E319-K378 WeakPolarHBondContact OE1-CG 3.21Å; E319-K378 IonicContact OE1-NZ 2.68Å; E319-K378 PolarHBondContact OE1-NZ 3.28Å; E319-K378 IonicContact OE2-NZ 3.79Å; K378-G380 VanDerWaalsContact C-N 3.31Å
379	N	94.4	Very high	96.8	Very high	79 Å²	79	26.2 Å²	26.2	42%	0.422	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-85.6	5.1	175.7	66.9	-16.8	0	0	0	114	K377 T381	K377-N379 VanDerWaalsContact CB-OD1 3.23Å; K377-N379 WeakPolarHBondContact CB-OD1 3Å; K377-N379 PolarHBondContact O-N 2.85Å; K377-N379 VanDerWaalsContact O-N 3.1Å; N379-T381 VanDerWaalsContact C-N 3.33Å; N379-T381 PolarHBondContact OD1-N 3.32Å; N379-T381 PolarHBondContact OD1-OG1 3.21Å
380	G	95.2	Very high	96.7	Very high	20 Å²	20	26.1 Å²	26.1	21%	0.206	13%	0.131	C	C	.	.	S	Bend	trans	77.8	11.3	-179.2	0	0	0	0	0	114.8	L340 K377 K378	L340-G380 WeakPolarHBondContact CD2-O 3.35Å; K377-G380 PolarHBondContact O-N 3.27Å; K378-G380 VanDerWaalsContact C-N 3.31Å
381	T	98.3	Very high	96.4	Very high	3 Å²	3	25 Å²	25	2%	0.018	13%	0.126	C	C	.	.			trans	-98.3	161	171	74.1	0	0	0	0	111.4	K377 N379	K377-T381 WeakPolarHBondContact CB-O 3.48Å; K377-T381 PolarHBondContact N-O 3.37Å; N379-T381 VanDerWaalsContact C-N 3.33Å; N379-T381 PolarHBondContact OD1-N 3.32Å; N379-T381 PolarHBondContact OD1-OG1 3.21Å
382	C	98.8	Very high	96.2	Very high	0 Å²	0	27.1 Å²	27.1	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	157.8	178	-67.2	0	0	0	0	113	N293 L340 S343 T344 I374 L375	N293-C382 WeakPolarHBondContact CA-O 3.41Å; N293-C382 WeakPolarHBondContact CB-O 3.31Å; N293-C382 PolarHBondContact ND2-O 2.94Å; L340-C382 WeakPolarHBondContact CD2-SG 3.47Å; S343-C382 WeakPolarHBondContact OG-CB 3.49Å; S343-C382 PolarHBondContact OG-N 2.93Å; T344-C382 WeakPolarHBondContact OG1-CB 3.47Å; I374-C382 HydrophobicContact CG2-CB 3.6Å; L375-C382 CarbonylContact O-C 3.5Å; L375-C382 VanDerWaalsContact O-CA 3.25Å; L375-C382 WeakPolarHBondContact O-CA 3.39Å
383	C	98.6	Very high	96	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	149.6	156	66.5	0	0	0	0	111.6	N293 H318 I374 L375	N293-C383 CarbonylContact O-C 3.54Å; N293-C383 VanDerWaalsContact O-CA 3.29Å; N293-C383 WeakPolarHBondContact O-CA 3.43Å; H318-C383 PolarHBondContact CD2-SG 2.79Å; H318-C383 PolarHBondContact NE2-SG 2.86Å; I374-C383 CarbonylContact C-O 3.55Å; I374-C383 WeakPolarHBondContact CA-O 3.49Å; L375-C383 PolarHBondContact N-O 2.87Å; L375-C383 PolarHBondContact O-N 3.46Å
384	I	98.8	Very high	95.5	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	137.2	178.3	-56.3	178.4	0	0	0	109.9	N293 I294 L295 L348 L351 H366 L369 L387	N293-I384 PolarHBondContact O-N 2.82Å; I294-I384 HydrophobicContact CD1-CB 4.13Å; L295-I384 WeakPolarHBondContact CB-O 3.41Å; L295-I384 PolarHBondContact N-O 3.32Å; L348-I384 HydrophobicContact CB-CD1 3.91Å; L348-I384 HydrophobicContact CD1-CD1 4.39Å; L348-I384 VanDerWaalsContact N-CD1 3.34Å; L351-I384 HydrophobicContact CD1-CD1 4.22Å; L351-I384 HydrophobicContact CD1-CG2 4.33Å; H366-I384 VanDerWaalsContact CD2-CG2 3.41Å; H366-I384 WeakPolarHBondContact CD2-CG2 3.2Å; H366-I384 WeakPolarHBondContact NE2-CG2 3.36Å; L369-I384 HydrophobicContact CD1-CD1 4.21Å; L369-I384 HydrophobicContact CD1-CG2 4.08Å; I384-L387 HydrophobicContact CG2-CD2 4.5Å
385	A	96.8	Very high	94.8	Very high	7 Å²	7	28.5 Å²	28.5	6%	0.058	15%	0.15	C	C	.	.			trans	-131.9	174	-175.4	0	0	0	0	0	111.9	L295 H366 N373 L375	L295-A385 HydrophobicContact CB-CB 4.09Å; L295-A385 HydrophobicContact CD2-CB 3.63Å; L295-A385 HydrophobicContact CG-CB 4.49Å; H366-A385 PolarHBondContact NE2-O 2.84Å; H366-A385 VanDerWaalsContact NE2-O 3.13Å; N373-A385 PolarHBondContact O-N 2.93Å; L375-A385 HydrophobicContact CD1-CB 4.17Å; L375-A385 HydrophobicContact CG-CB 4.08Å
386	D	94	Very high	94.1	Very high	33 Å²	33	31.2 Å²	31.2	18%	0.176	18%	0.178	C	C	.	.			trans	61.9	60.2	175.7	-168.9	34.8	0	0	0	113.7	K267 Y284 N373 G388	K267-D386 IonicContact NZ-OD1 2.67Å; K267-D386 PolarHBondContact NZ-OD1 2.56Å; Y284-D386 PolarHBondContact OH-N 2.74Å; N373-D386 HydrophobicContact CB-CB 4.23Å; N373-D386 WeakPolarHBondContact ND2-CB 3.5Å; N373-D386 PolarHBondContact ND2-OD2 3.1Å; D386-G388 PolarHBondContact O-N 2.86Å
387	L	94.7	Very high	93.5	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.202	C	C	.	.	G	3₁₀ helix	trans	-79.5	10.5	-178.5	-57	-178.5	0	0	0	114	I283 Y284 L289 L351 H366 I384 L389 A390	I283-L387 HydrophobicContact CB-CB 4.39Å; I283-L387 HydrophobicContact CG2-CB 3.73Å; I283-L387 HydrophobicContact CG2-CD1 3.78Å; I283-L387 HydrophobicContact CG2-CG 4.36Å; Y284-L387 HydrophobicContact CD1-CD1 3.92Å; Y284-L387 HydrophobicContact CE1-CD1 3.63Å; Y284-L387 HydrophobicContact CE1-CG 4.11Å; Y284-L387 HydrophobicContact CE2-CB 4.22Å; Y284-L387 HydrophobicContact CE2-CD1 4.39Å; Y284-L387 HydrophobicContact CE2-CG 4.25Å; Y284-L387 HydrophobicContact CG-CD1 4.42Å; L289-L387 HydrophobicContact CD2-CD1 4.17Å; L351-L387 HydrophobicContact CD1-CD2 4.34Å; H366-L387 VanDerWaalsContact CD2-CD2 3.45Å; H366-L387 WeakPolarHBondContact CD2-CD2 3.43Å; I384-L387 HydrophobicContact CG2-CD2 4.5Å; L387-L389 PolarHBondContact O-N 2.83Å; L387-L389 VanDerWaalsContact O-N 3.12Å; L387-A390 HydrophobicContact CB-CB 4.29Å; L387-A390 WeakPolarHBondContact O-CB 3.5Å; L387-A390 PolarHBondContact O-N 2.92Å
388	G	91.9	Very high	93	Very high	5 Å²	5	38.3 Å²	38.3	5%	0.052	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-66	-15.6	-173.1	0	0	0	0	0	115.6	R279 D386	R279-G388 WeakPolarHBondContact CD-O 3.47Å; D386-G388 PolarHBondContact O-N 2.86Å
389	L	92.4	Very high	92.5	Very high	21 Å²	21	34.4 Å²	34.4	11%	0.11	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-104	-0.9	173.6	-67.8	175.8	0	0	0	113.8	F251 D368 L387 V408	F251-L389 HydrophobicContact CZ-CD2 4.22Å; D368-L389 HydrophobicContact CB-CB 4.41Å; D368-L389 HydrophobicContact CB-CD1 3.77Å; L387-L389 PolarHBondContact O-N 2.83Å; L387-L389 VanDerWaalsContact O-N 3.12Å; L389-V408 HydrophobicContact CB-CG2 4.43Å; L389-V408 HydrophobicContact CD1-CB 4.39Å; L389-V408 HydrophobicContact CD1-CG2 4.28Å; L389-V408 HydrophobicContact CD2-CB 4.2Å; L389-V408 HydrophobicContact CD2-CG2 4.1Å
390	A	94.8	Very high	92.2	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.196	C	C	.	.			trans	-64.3	158.8	-177.8	0	0	0	0	0	112.2	R279 I283 I364 A365 L387	R279-A390 PolarHBondContact NH1-O 3.34Å; I283-A390 HydrophobicContact CD1-CB 4.37Å; I283-A390 HydrophobicContact CG1-CB 4.36Å; I283-A390 HydrophobicContact CG2-CB 4.22Å; I364-A390 HydrophobicContact CG2-CB 3.95Å; A365-A390 CarbonylContact O-C 3.55Å; A365-A390 WeakPolarHBondContact O-CA 3.26Å; A365-A390 WeakPolarHBondContact O-CB 3.25Å; L387-A390 HydrophobicContact CB-CB 4.29Å; L387-A390 WeakPolarHBondContact O-CB 3.5Å; L387-A390 PolarHBondContact O-N 2.92Å
391	V	93.6	Very high	91.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	142.1	178.7	-66.7	0	0	0	0	109.9	I364 A365 R367 I400 D401 I402 F428 F431	I364-V391 WeakPolarHBondContact CA-O 3.41Å; A365-V391 HydrophobicContact CB-CG2 4.08Å; A365-V391 PolarHBondContact N-O 2.82Å; A365-V391 PolarHBondContact O-N 2.85Å; R367-V391 HydrophobicContact CG-CG2 4.29Å; V391-I400 HydrophobicContact CB-CG2 4.06Å; V391-I400 HydrophobicContact CG2-CG2 4.24Å; V391-D401 WeakPolarHBondContact CG1-O 3.38Å; V391-I402 HydrophobicContact CG1-CB 4.1Å; V391-I402 HydrophobicContact CG1-CD1 4.22Å; V391-I402 HydrophobicContact CG1-CG1 3.99Å; V391-F428 HydrophobicContact CG2-CE2 3.96Å; V391-F431 HydrophobicContact CG2-CG 4.32Å
392	R	93.4	Very high	90.3	Very high	45 Å²	45	36.1 Å²	36.1	17%	0.17	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	150	173.9	-66.2	177.4	-174.8	138.4	-1.7	110.8	E282 I283 T286 P362 A363 I364 I400 D401	E282-R392 VanDerWaalsContact C-NH2 3.34Å; E282-R392 PolarHBondContact O-NH2 3.42Å; E282-R392 IonicContact OE1-CZ 3.22Å; E282-R392 IonicContact OE1-NH1 2.68Å; E282-R392 PolarHBondContact OE1-NH1 2.92Å; E282-R392 IonicContact OE1-NH2 2.8Å; I283-R392 HydrophobicContact CD1-CG 3.85Å; T286-R392 PolarHBondContact OG1-NE 2.8Å; T286-R392 PolarHBondContact OG1-NH2 2.88Å; P362-R392 HydrophobicContact CB-CB 4.34Å; P362-R392 HydrophobicContact CG-CB 4.41Å; P362-R392 HydrophobicContact CG-CG 4.1Å; A363-R392 WeakPolarHBondContact O-CA 3.26Å; I364-R392 HydrophobicContact CG1-CG 4.16Å; R392-I400 WeakPolarHBondContact O-CA 3.23Å; R392-D401 PolarHBondContact O-N 3.28Å
393	H	92.8	Very high	88.8	Confident	28 Å²	28	39.2 Å²	39.2	13%	0.13	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	128.8	162.7	-171.3	-146.2	0	0	0	109.4	P362 A363 D398 T399 F428	P362-H393 VanDerWaalsContact CB-O 3.24Å; P362-H393 WeakPolarHBondContact CB-O 3.42Å; A363-H393 HydrophobicContact CB-CB 4.32Å; A363-H393 PolarHBondContact O-N 2.71Å; H393-D398 IonicContact CD2-OD1 3.33Å; H393-D398 IonicContact CE1-OD1 2.63Å; H393-D398 IonicContact NE2-OD1 2.73Å; H393-D398 PolarHBondContact NE2-OD1 3.47Å; H393-T399 PolarHBondContact CD2-O 2.87Å; H393-F428 HydrophobicContact CB-CB 4.18Å; H393-F428 HydrophobicContact CB-CD1 3.64Å; H393-F428 HydrophobicContact CB-CD2 3.68Å; H393-F428 HydrophobicContact CB-CE1 3.83Å; H393-F428 HydrophobicContact CB-CE2 3.84Å; H393-F428 HydrophobicContact CB-CG 3.56Å; H393-F428 HydrophobicContact CB-CZ 3.91Å; H393-F428 AromaticContact CG-CG 3.8Å
394	D	88.1	Confident	86.9	Confident	67 Å²	67	45.1 Å²	45.1	36%	0.358	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	104.9	160.7	175.5	6.4	0	0	0	108.1	A396 T397 D398 T399	D394-A396 VanDerWaalsContact C-N 3.26Å; D394-A396 PolarHBondContact O-N 3.38Å; D394-A396 WeakPolarHBondContact OD1-CB 3.19Å; D394-A396 PolarHBondContact OD1-N 3.09Å; D394-T397 PolarHBondContact OD1-N 2.81Å; D394-T397 WeakPolarHBondContact OD2-CB 3.43Å; D394-T397 VanDerWaalsContact OD2-CG2 3.25Å; D394-T397 WeakPolarHBondContact OD2-CG2 3.23Å; D394-T397 PolarHBondContact OD2-OG1 3.39Å; D394-D398 VanDerWaalsContact O-CA 3.25Å; D394-D398 WeakPolarHBondContact O-CA 3.37Å; D394-D398 PolarHBondContact O-N 3.3Å; D394-T399 PolarHBondContact N-O 3.39Å; D394-T399 PolarHBondContact O-N 2.79Å
395	S	84.3	Confident	85.6	Confident	62 Å²	62	50 Å²	50	43%	0.434	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-17.6	-179.4	54.9	0	0	0	0	113.6	E354	E354-S395 VanDerWaalsContact OE1-CB 3.25Å; E354-S395 WeakPolarHBondContact OE1-CB 3.18Å; E354-S395 PolarHBondContact OE1-OG 3.38Å
396	A	84.5	Confident	84.3	Confident	93 Å²	93	51.8 Å²	51.8	77%	0.769	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.4	-31.8	178.1	0	0	0	0	0	112.4	D394	D394-A396 VanDerWaalsContact C-N 3.26Å; D394-A396 PolarHBondContact O-N 3.38Å; D394-A396 WeakPolarHBondContact OD1-CB 3.19Å; D394-A396 PolarHBondContact OD1-N 3.09Å
397	T	85.8	Confident	83.6	Confident	83 Å²	83	54.4 Å²	54.4	51%	0.509	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.8	-7	177.8	62.1	0	0	0	0	114	D394 T399	D394-T397 PolarHBondContact OD1-N 2.81Å; D394-T397 WeakPolarHBondContact OD2-CB 3.43Å; D394-T397 VanDerWaalsContact OD2-CG2 3.25Å; D394-T397 WeakPolarHBondContact OD2-CG2 3.23Å; D394-T397 PolarHBondContact OD2-OG1 3.39Å; T397-T399 PolarHBondContact O-N 3.44Å; T397-T399 WeakPolarHBondContact OG1-CB 3.3Å; T397-T399 WeakPolarHBondContact OG1-CG2 3.33Å; T397-T399 PolarHBondContact OG1-OG1 2.95Å
398	D	85.5	Confident	83.3	Confident	100 Å²	100	55.5 Å²	55.5	54%	0.535	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.2	38.7	-166.6	-161	31	0	0	0	113	H393 D394	H393-D398 IonicContact CD2-OD1 3.33Å; H393-D398 IonicContact CE1-OD1 2.63Å; H393-D398 IonicContact NE2-OD1 2.73Å; H393-D398 PolarHBondContact NE2-OD1 3.47Å; D394-D398 VanDerWaalsContact O-CA 3.25Å; D394-D398 WeakPolarHBondContact O-CA 3.37Å; D394-D398 PolarHBondContact O-N 3.3Å
399	T	86.9	Confident	83.3	Confident	76 Å²	76	56 Å²	56	47%	0.466	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	161.1	178	67.7	0	0	0	0	112.3	H393 D394 T397	H393-T399 PolarHBondContact CD2-O 2.87Å; D394-T399 PolarHBondContact N-O 3.39Å; D394-T399 PolarHBondContact O-N 2.79Å; T397-T399 PolarHBondContact O-N 3.44Å; T397-T399 WeakPolarHBondContact OG1-CB 3.3Å; T397-T399 WeakPolarHBondContact OG1-CG2 3.33Å; T397-T399 PolarHBondContact OG1-OG1 2.95Å
400	I	86.6	Confident	83.4	Confident	24 Å²	24	57.4 Å²	57.4	12%	0.123	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.1	-179.4	-53.8	173.3	0	0	0	107	V391 R392 I402 M425 F428 F431	V391-I400 HydrophobicContact CB-CG2 4.06Å; V391-I400 HydrophobicContact CG2-CG2 4.24Å; R392-I400 WeakPolarHBondContact O-CA 3.23Å; I400-I402 VanDerWaalsContact C-N 3.33Å; I400-I402 HydrophobicContact CB-CG2 4.29Å; I400-I402 HydrophobicContact CG2-CB 4.11Å; I400-I402 HydrophobicContact CG2-CG2 4.09Å; I400-I402 PolarHBondContact O-N 2.99Å; I400-M425 WeakPolarHBondContact CD1-O 3.24Å; I400-F428 HydrophobicContact CD1-CB 3.84Å; I400-F428 HydrophobicContact CD1-CD2 3.98Å; I400-F428 HydrophobicContact CD1-CG 4.44Å; I400-F428 HydrophobicContact CG1-CB 4.19Å; I400-F428 HydrophobicContact CG1-CD2 3.95Å; I400-F428 HydrophobicContact CG2-CD2 4.03Å; I400-F428 HydrophobicContact CG2-CE2 4.38Å; I400-F431 HydrophobicContact CD1-CD2 4.23Å; I400-F431 HydrophobicContact CD1-CE2 3.83Å; I400-F431 HydrophobicContact CG2-CE2 4.44Å
401	D	80.4	Confident	83.5	Confident	77 Å²	77	60.3 Å²	60.3	41%	0.412	35%	0.352	S	S	.	.			trans	-72.4	88.2	174.3	172	36.1	0	0	0	110	R279 V391 R392	R279-D401 IonicContact CZ-OD2 2.68Å; R279-D401 PolarHBondContact NH2-O 3.3Å; R279-D401 IonicContact NH2-OD1 3.93Å; R279-D401 PolarHBondContact NH2-OD1 3.05Å; R279-D401 IonicContact NH2-OD2 2.78Å; R279-D401 PolarHBondContact NH2-OD2 2.86Å; V391-D401 WeakPolarHBondContact CG1-O 3.38Å; R392-D401 PolarHBondContact O-N 3.28Å
402	I	74.3	Confident	83.7	Confident	38 Å²	38	60.8 Å²	60.8	20%	0.195	35%	0.354	C	S	.	.			trans	-142.2	126.1	-176.4	-163.4	173.3	0	0	0	111.6	V391 I400 M425 F431	V391-I402 HydrophobicContact CG1-CB 4.1Å; V391-I402 HydrophobicContact CG1-CD1 4.22Å; V391-I402 HydrophobicContact CG1-CG1 3.99Å; I400-I402 VanDerWaalsContact C-N 3.33Å; I400-I402 HydrophobicContact CB-CG2 4.29Å; I400-I402 HydrophobicContact CG2-CB 4.11Å; I400-I402 HydrophobicContact CG2-CG2 4.09Å; I400-I402 PolarHBondContact O-N 2.99Å; I402-M425 HydrophobicContact CD1-CE 4.15Å; I402-M425 HydrophobicContact CG2-CE 4.5Å; I402-F431 HydrophobicContact CD1-CE1 3.6Å; I402-F431 HydrophobicContact CD1-CE2 4.27Å; I402-F431 HydrophobicContact CD1-CZ 3.38Å
403	A	65.9	Low	84	Confident	64 Å²	64	59.3 Å²	59.3	53%	0.529	35%	0.348	S	S	.	.			trans	-64.6	153.3	167.3	0	0	0	0	0	110.4	N405	A403-N405 PolarHBondContact O-N 2.89Å
404	P	59.2	Low	84.2	Confident	124 Å²	124	58.6 Å²	58.6	81%	0.805	35%	0.346	S	S	*	.	S	Bend	trans	-56.9	-14	-171.1	-28.5	35.7	0	0	0	117.1	H406	P404-H406 PolarHBondContact O-N 2.68Å
405	N	71.7	Confident	84.7	Confident	102 Å²	102	55.5 Å²	55.5	55%	0.545	33%	0.329	S	S	.	.			trans	-86.4	107.4	-180	-166.6	-5.4	0	0	0	112	R367 A403 R407	R367-N405 PolarHBondContact NH2-O 3.1Å; A403-N405 PolarHBondContact O-N 2.89Å; N405-R407 PolarHBondContact OD1-N 2.93Å
406	H	69.3	Low	85.4	Confident	45 Å²	45	52.9 Å²	52.9	21%	0.208	31%	0.31	C	S	.	.			trans	-82	-35.6	178.1	53.8	100.4	0	0	0	114.1	R367 P404 V408 D421 I423 M425	R367-H406 PolarHBondContact NH2-O 2.92Å; P404-H406 PolarHBondContact O-N 2.68Å; H406-V408 VanDerWaalsContact C-N 3.29Å; H406-V408 PolarHBondContact O-N 3.03Å; H406-D421 IonicContact CE1-OD1 3.32Å; H406-D421 PolarHBondContact CE1-OD1 2.89Å; H406-D421 IonicContact ND1-OD1 2.84Å; H406-I423 HydrophobicContact CB-CG2 4.45Å; H406-M425 HydrophobicContact CB-CE 3.84Å; H406-M425 HydrophobicContact CB-CG 3.89Å; H406-M425 HydrophobicContact CB-SD 3.64Å; H406-M425 PolarHBondContact CD2-SD 3.45Å
407	R	80.4	Confident	86	Confident	89 Å²	89	49.4 Å²	49.4	34%	0.336	28%	0.279	S	S	.	.			trans	-76.3	77.7	-178.1	-106.1	-162.1	-80.9	159.3	-12.2	111.1	N405 V418 D421	N405-R407 PolarHBondContact OD1-N 2.93Å; R407-V418 HydrophobicContact CG-CG1 4.27Å; R407-V418 WeakPolarHBondContact CG-O 3.23Å; R407-D421 IonicContact CZ-OD1 3.42Å; R407-D421 VanDerWaalsContact CZ-OD1 3.31Å; R407-D421 IonicContact CZ-OD2 3.49Å; R407-D421 IonicContact NE-OD1 3.1Å; R407-D421 PolarHBondContact NE-OD1 3.46Å; R407-D421 IonicContact NE-OD2 3.57Å; R407-D421 VanDerWaalsContact NH2-CG 3.31Å; R407-D421 IonicContact NH2-OD1 3.31Å; R407-D421 PolarHBondContact NH2-OD1 3.35Å; R407-D421 VanDerWaalsContact NH2-OD1 3.12Å; R407-D421 IonicContact NH2-OD2 3.75Å; R407-D421 PolarHBondContact NH2-OD2 3.24Å
408	V	86.9	Confident	86.5	Confident	23 Å²	23	46.1 Å²	46.1	14%	0.139	26%	0.258	C	S	.	.			trans	-127.3	162.3	174.5	-48.9	0	0	0	0	110.5	R367 L389 H406 M414	R367-V408 VanDerWaalsContact CZ-CG2 3.41Å; L389-V408 HydrophobicContact CB-CG2 4.43Å; L389-V408 HydrophobicContact CD1-CB 4.39Å; L389-V408 HydrophobicContact CD1-CG2 4.28Å; L389-V408 HydrophobicContact CD2-CB 4.2Å; L389-V408 HydrophobicContact CD2-CG2 4.1Å; H406-V408 VanDerWaalsContact C-N 3.29Å; H406-V408 PolarHBondContact O-N 3.03Å; V408-M414 WeakPolarHBondContact O-CE 3.19Å
409	G	91.6	Very high	87.1	Confident	16 Å²	16	41.4 Å²	41.4	17%	0.165	23%	0.233	C	C	.	.	S	Bend	trans	96.9	-177.8	-176.1	0	0	0	0	0	112.5	D368 K411 M414	D368-G409 VanDerWaalsContact CG-CA 3.49Å; D368-G409 WeakPolarHBondContact OD1-CA 3.16Å; G409-K411 PolarHBondContact O-N 2.99Å; G409-M414 WeakPolarHBondContact O-CE 3.49Å
410	T	95.3	Very high	87.5	Confident	50 Å²	50	40.5 Å²	40.5	31%	0.307	23%	0.225	S	C	.	.			trans	-79.3	114.4	-177.2	-67.3	0	0	0	0	111.1	D368 K370 R412 Y413 M414	D368-T410 PolarHBondContact OD1-N 3.29Å; D368-T410 PolarHBondContact OD1-OG1 2.61Å; K370-T410 HydrophobicContact CD-CG2 4.36Å; K370-T410 VanDerWaalsContact CD-OG1 3.25Å; K370-T410 WeakPolarHBondContact CD-OG1 3.04Å; K370-T410 WeakPolarHBondContact CE-OG1 3.23Å; K370-T410 PolarHBondContact NZ-OG1 3.39Å; T410-R412 VanDerWaalsContact C-N 3.26Å; T410-R412 HydrophobicContact CG2-CB 4.33Å; T410-R412 PolarHBondContact O-N 2.96Å; T410-Y413 HydrophobicContact CG2-CD2 3.78Å; T410-Y413 HydrophobicContact CG2-CE2 4.29Å; T410-Y413 PolarHBondContact O-N 2.66Å; T410-M414 PolarHBondContact O-N 2.94Å
411	K	97	Very high	87.8	Confident	60 Å²	60	42.6 Å²	42.6	26%	0.261	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-44.9	-43.8	-175.7	-46.1	159.1	-164.9	152.3	0	114	G409 Y413 M414 D470 P471 V473 M476	G409-K411 PolarHBondContact O-N 2.99Å; K411-Y413 PolarHBondContact O-N 3.19Å; K411-M414 HydrophobicContact CG-CE 4.49Å; K411-M414 WeakPolarHBondContact O-CB 3.36Å; K411-M414 PolarHBondContact O-N 2.71Å; K411-M414 VanDerWaalsContact O-N 3.14Å; K411-D470 IonicContact NZ-OD1 2.75Å; K411-D470 PolarHBondContact NZ-OD1 3.15Å; K411-D470 IonicContact NZ-OD2 3.08Å; K411-D470 PolarHBondContact NZ-OD2 3.17Å; K411-D470 VanDerWaalsContact NZ-OD2 3.08Å; K411-P471 WeakPolarHBondContact CD-O 3.35Å; K411-P471 WeakPolarHBondContact CE-O 3.27Å; K411-P471 PolarHBondContact NZ-O 2.79Å; K411-V473 HydrophobicContact CD-CG2 4.45Å; K411-V473 HydrophobicContact CG-CG2 4.15Å; K411-M476 HydrophobicContact CB-CG 4.39Å
412	R	98.3	Very high	88.5	Confident	10 Å²	10	42.8 Å²	42.8	4%	0.038	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-56.1	-29.2	177.9	-176.6	-178.4	-66.6	-74.2	-3.4	114.1	T410 P462 Y463 Q468 S469 P471 M476	T410-R412 VanDerWaalsContact C-N 3.26Å; T410-R412 HydrophobicContact CG2-CB 4.33Å; T410-R412 PolarHBondContact O-N 2.96Å; R412-P462 WeakPolarHBondContact CD-O 3.3Å; R412-P462 WeakPolarHBondContact CG-O 3Å; R412-P462 PolarHBondContact NH1-O 3.13Å; R412-Y463 HydrophobicContact CG-CD2 4.45Å; R412-Y463 PolarHBondContact NH1-O 2.87Å; R412-Q468 PolarHBondContact NH2-O 2.85Å; R412-S469 PolarHBondContact NH2-O 3.4Å; R412-P471 HydrophobicContact CB-CG 4.36Å; R412-M476 WeakPolarHBondContact O-CE 3.47Å
413	Y	98.6	Very high	89.4	Confident	14 Å²	14	41.6 Å²	41.6	6%	0.055	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-103.4	-1.9	-177.2	-65.9	-96.6	0	0	0	113.2	K370 S371 T410 K411 A415 L441 V442 E445 L461 P462	K370-Y413 HydrophobicContact CB-CD1 3.98Å; K370-Y413 HydrophobicContact CB-CD2 3.8Å; K370-Y413 HydrophobicContact CB-CE1 3.91Å; K370-Y413 HydrophobicContact CB-CE2 3.74Å; K370-Y413 HydrophobicContact CB-CG 3.93Å; S371-Y413 PolarHBondContact OG-OH 2.86Å; T410-Y413 HydrophobicContact CG2-CD2 3.78Å; T410-Y413 HydrophobicContact CG2-CE2 4.29Å; T410-Y413 PolarHBondContact O-N 2.66Å; K411-Y413 PolarHBondContact O-N 3.19Å; Y413-A415 PolarHBondContact O-N 3.34Å; Y413-L441 HydrophobicContact CD1-CB 4.06Å; Y413-L441 HydrophobicContact CD1-CD1 4.05Å; Y413-L441 HydrophobicContact CE1-CB 4.19Å; Y413-L441 HydrophobicContact CG-CD1 4.48Å; Y413-V442 HydrophobicContact CE1-CG2 4.17Å; Y413-E445 VanDerWaalsContact CE1-OE1 3.24Å; Y413-E445 WeakPolarHBondContact CE1-OE1 3.5Å; Y413-E445 PolarHBondContact OH-OE1 2.84Å; Y413-L461 WeakPolarHBondContact OH-CD2 2.98Å; Y413-P462 HydrophobicContact CE1-CG 3.95Å; Y413-P462 WeakPolarHBondContact OH-CD 3.31Å
414	M	98.4	Very high	90.6	Very high	14 Å²	14	42.7 Å²	42.7	7%	0.069	24%	0.235	C	C	.	.			trans	-64.9	134.5	-179.8	-71.6	-178.2	178.8	0	0	111.3	V408 G409 T410 K411 V418 L419 Y437	V408-M414 WeakPolarHBondContact O-CE 3.19Å; G409-M414 WeakPolarHBondContact O-CE 3.49Å; T410-M414 PolarHBondContact O-N 2.94Å; K411-M414 HydrophobicContact CG-CE 4.49Å; K411-M414 WeakPolarHBondContact O-CB 3.36Å; K411-M414 PolarHBondContact O-N 2.71Å; K411-M414 VanDerWaalsContact O-N 3.14Å; M414-V418 HydrophobicContact CB-CB 4.23Å; M414-V418 HydrophobicContact CB-CG1 4.16Å; M414-V418 HydrophobicContact CG-CG1 3.99Å; M414-V418 HydrophobicContact SD-CG1 3.96Å; M414-L419 HydrophobicContact CB-CD1 4.43Å; M414-L419 HydrophobicContact CB-CD2 3.71Å; M414-L419 HydrophobicContact CB-CG 3.74Å; M414-L419 HydrophobicContact CG-CD2 4.43Å; M414-L419 HydrophobicContact SD-CD2 3.97Å; M414-Y437 WeakPolarHBondContact O-CE1 3.24Å
415	A	98.3	Very high	92	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.008	21%	0.209	C	C	.	.			trans	-67.3	155.9	174.2	0	0	0	0	0	111.6	Y413 E417 V418 L419 A434 Y437	Y413-A415 PolarHBondContact O-N 3.34Å; A415-E417 VanDerWaalsContact C-N 3.26Å; A415-E417 WeakPolarHBondContact CB-OE2 3.11Å; A415-E417 PolarHBondContact O-N 3.1Å; A415-V418 HydrophobicContact CB-CG2 4.28Å; A415-V418 WeakPolarHBondContact O-CA 3.2Å; A415-V418 WeakPolarHBondContact O-CB 3.22Å; A415-V418 PolarHBondContact O-N 3.32Å; A415-L419 PolarHBondContact O-N 2.97Å; A415-L419 VanDerWaalsContact O-N 3.07Å; A415-A434 HydrophobicContact CB-CB 4Å; A415-Y437 VanDerWaalsContact CA-CD1 3.46Å; A415-Y437 HydrophobicContact CB-CD1 3.83Å; A415-Y437 HydrophobicContact CB-CD2 4.39Å; A415-Y437 HydrophobicContact CB-CG 3.77Å
416	P	98.3	Very high	92.8	Very high	7 Å²	7	42.9 Å²	42.9	5%	0.045	22%	0.22	C	C	.	.	H	α-helix	trans	-49.1	-45.5	-179.1	-26.6	30.9	0	0	0	113.6	V418 L419 D420 Y437 V480 C481	P416-V418 PolarHBondContact O-N 3.07Å; P416-L419 PolarHBondContact O-N 2.83Å; P416-L419 VanDerWaalsContact O-N 3.11Å; P416-D420 PolarHBondContact O-N 2.91Å; P416-Y437 HydrophobicContact CG-CD2 4.49Å; P416-Y437 HydrophobicContact CG-CE2 4.1Å; P416-V480 HydrophobicContact CB-CG1 4.25Å; P416-V480 HydrophobicContact CG-CG1 3.73Å; P416-C481 VanDerWaalsContact CA-SG 3.56Å; P416-C481 PolarHBondContact O-SG 3.06Å
417	E	97.7	Very high	93.8	Very high	21 Å²	21	44.4 Å²	44.4	10%	0.098	23%	0.227	C	C	.	.	H	α-helix	trans	-68	-18.8	179.8	67.4	-89.1	-146.5	0	0	114.1	A415 D420 S422 I423 R517	A415-E417 VanDerWaalsContact C-N 3.26Å; A415-E417 WeakPolarHBondContact CB-OE2 3.11Å; A415-E417 PolarHBondContact O-N 3.1Å; E417-D420 WeakPolarHBondContact CA-OD1 3.38Å; E417-S422 WeakPolarHBondContact CA-OG 3.25Å; E417-S422 WeakPolarHBondContact CB-OG 3.45Å; E417-S422 PolarHBondContact O-N 2.74Å; E417-S422 VanDerWaalsContact O-N 3.15Å; E417-I423 HydrophobicContact CB-CB 4.14Å; E417-I423 HydrophobicContact CG-CB 3.91Å; E417-I423 HydrophobicContact CG-CD1 4.33Å; E417-I423 HydrophobicContact CG-CG1 4.12Å; E417-I423 VanDerWaalsContact O-CB 3.29Å; E417-I423 WeakPolarHBondContact O-CB 3.38Å; E417-I423 PolarHBondContact O-N 3.41Å; E417-R517 IonicContact OE1-CZ 2.71Å; E417-R517 IonicContact OE1-NH1 3.52Å; E417-R517 PolarHBondContact OE1-NH1 2.93Å; E417-R517 IonicContact OE1-NH2 3.21Å; E417-R517 PolarHBondContact OE1-NH2 3.35Å; E417-R517 IonicContact OE2-CZ 2.79Å; E417-R517 IonicContact OE2-NH1 3.98Å; E417-R517 PolarHBondContact OE2-NH1 3.49Å; E417-R517 IonicContact OE2-NH2 3.82Å; E417-R517 PolarHBondContact OE2-NH2 2.94Å
418	V	96.8	Very high	94.4	Very high	14 Å²	14	40.4 Å²	40.4	9%	0.085	21%	0.212	C	C	.	.	H	α-helix	trans	-87.4	-30.8	173.7	-177.5	0	0	0	0	110.8	R407 M414 A415 P416 I423 A434	R407-V418 HydrophobicContact CG-CG1 4.27Å; R407-V418 WeakPolarHBondContact CG-O 3.23Å; M414-V418 HydrophobicContact CB-CB 4.23Å; M414-V418 HydrophobicContact CB-CG1 4.16Å; M414-V418 HydrophobicContact CG-CG1 3.99Å; M414-V418 HydrophobicContact SD-CG1 3.96Å; A415-V418 HydrophobicContact CB-CG2 4.28Å; A415-V418 WeakPolarHBondContact O-CA 3.2Å; A415-V418 WeakPolarHBondContact O-CB 3.22Å; A415-V418 PolarHBondContact O-N 3.32Å; P416-V418 PolarHBondContact O-N 3.07Å; V418-I423 HydrophobicContact CG2-CD1 3.74Å; V418-A434 HydrophobicContact CG2-CB 4.14Å
419	L	97.1	Very high	94.9	Very high	1 Å²	1	42.3 Å²	42.3	1%	0.005	22%	0.219	C	C	.	.	H	α-helix	trans	-78.6	-33.9	178.5	-70.6	170.7	0	0	0	113.1	M414 A415 P416 V473 M476 K477 V480	M414-L419 HydrophobicContact CB-CD1 4.43Å; M414-L419 HydrophobicContact CB-CD2 3.71Å; M414-L419 HydrophobicContact CB-CG 3.74Å; M414-L419 HydrophobicContact CG-CD2 4.43Å; M414-L419 HydrophobicContact SD-CD2 3.97Å; A415-L419 PolarHBondContact O-N 2.97Å; A415-L419 VanDerWaalsContact O-N 3.07Å; P416-L419 PolarHBondContact O-N 2.83Å; P416-L419 VanDerWaalsContact O-N 3.11Å; L419-V473 HydrophobicContact CD2-CG1 4.05Å; L419-M476 HydrophobicContact CD1-CB 3.95Å; L419-M476 HydrophobicContact CD2-CB 3.6Å; L419-M476 HydrophobicContact CG-CB 4.45Å; L419-K477 HydrophobicContact CB-CB 4.29Å; L419-V480 HydrophobicContact CD1-CB 3.75Å; L419-V480 HydrophobicContact CD1-CG1 3.81Å; L419-V480 HydrophobicContact CD1-CG2 4.16Å
420	D	95.1	Very high	95.1	Very high	57 Å²	57	42.1 Å²	42.1	31%	0.305	22%	0.215	S	C	.	.	S	Bend	trans	-99.1	3.6	-179.3	71.4	13.1	0	0	0	114.8	P416 E417 S422	P416-D420 PolarHBondContact O-N 2.91Å; E417-D420 WeakPolarHBondContact CA-OD1 3.38Å; D420-S422 VanDerWaalsContact C-N 3.26Å; D420-S422 PolarHBondContact O-N 2.6Å; D420-S422 WeakPolarHBondContact OD1-CB 3.45Å; D420-S422 PolarHBondContact OD1-N 3.48Å; D420-S422 PolarHBondContact OD1-OG 2.91Å
421	D	93.4	Very high	95.1	Very high	67 Å²	67	39.9 Å²	39.9	36%	0.358	20%	0.201	S	C	.	.	S	Bend	trans	65.2	13.5	-177.5	-52.9	-40.7	0	0	0	115.7	H406 R407 I423	H406-D421 IonicContact CE1-OD1 3.32Å; H406-D421 PolarHBondContact CE1-OD1 2.89Å; H406-D421 IonicContact ND1-OD1 2.84Å; R407-D421 IonicContact CZ-OD1 3.42Å; R407-D421 VanDerWaalsContact CZ-OD1 3.31Å; R407-D421 IonicContact CZ-OD2 3.49Å; R407-D421 IonicContact NE-OD1 3.1Å; R407-D421 PolarHBondContact NE-OD1 3.46Å; R407-D421 IonicContact NE-OD2 3.57Å; R407-D421 VanDerWaalsContact NH2-CG 3.31Å; R407-D421 IonicContact NH2-OD1 3.31Å; R407-D421 PolarHBondContact NH2-OD1 3.35Å; R407-D421 VanDerWaalsContact NH2-OD1 3.12Å; R407-D421 IonicContact NH2-OD2 3.75Å; R407-D421 PolarHBondContact NH2-OD2 3.24Å; D421-I423 VanDerWaalsContact C-N 3.3Å; D421-I423 PolarHBondContact O-N 2.59Å
422	S	94.8	Very high	95.2	Very high	81 Å²	81	38.5 Å²	38.5	57%	0.566	20%	0.195	S	C	*	.			trans	-79.9	-3.7	178.2	67.2	0	0	0	0	115.2	E417 D420 N424	E417-S422 WeakPolarHBondContact CA-OG 3.25Å; E417-S422 WeakPolarHBondContact CB-OG 3.45Å; E417-S422 PolarHBondContact O-N 2.74Å; E417-S422 VanDerWaalsContact O-N 3.15Å; D420-S422 VanDerWaalsContact C-N 3.26Å; D420-S422 PolarHBondContact O-N 2.6Å; D420-S422 WeakPolarHBondContact OD1-CB 3.45Å; D420-S422 PolarHBondContact OD1-N 3.48Å; D420-S422 PolarHBondContact OD1-OG 2.91Å; S422-N424 PolarHBondContact O-N 2.93Å
423	I	93.9	Very high	95.2	Very high	13 Å²	13	41.6 Å²	41.6	7%	0.067	21%	0.207	C	C	.	.			trans	-61.8	122.8	-178.8	-171.2	168.8	0	0	0	112.8	H406 E417 V418 D421 M425 F431	H406-I423 HydrophobicContact CB-CG2 4.45Å; E417-I423 HydrophobicContact CB-CB 4.14Å; E417-I423 HydrophobicContact CG-CB 3.91Å; E417-I423 HydrophobicContact CG-CD1 4.33Å; E417-I423 HydrophobicContact CG-CG1 4.12Å; E417-I423 VanDerWaalsContact O-CB 3.29Å; E417-I423 WeakPolarHBondContact O-CB 3.38Å; E417-I423 PolarHBondContact O-N 3.41Å; V418-I423 HydrophobicContact CG2-CD1 3.74Å; D421-I423 VanDerWaalsContact C-N 3.3Å; D421-I423 PolarHBondContact O-N 2.59Å; I423-M425 PolarHBondContact O-N 2.92Å; I423-F431 HydrophobicContact CD1-CD1 4.2Å; I423-F431 HydrophobicContact CD1-CE1 4.23Å
424	N	91.1	Very high	95.2	Very high	87 Å²	87	41.6 Å²	41.6	47%	0.465	21%	0.21	S	C	.	.			trans	-73.3	92.9	174.5	-176.6	-4.4	0	0	0	110.8	S422 K426 H427 S430	S422-N424 PolarHBondContact O-N 2.93Å; N424-K426 PolarHBondContact O-N 3.27Å; N424-K426 WeakPolarHBondContact OD1-CB 3.25Å; N424-K426 PolarHBondContact OD1-N 2.93Å; N424-H427 HydrophobicContact CB-CB 4.44Å; N424-H427 PolarHBondContact O-N 2.04Å; N424-H427 VanDerWaalsContact O-N 3.15Å; N424-S430 WeakPolarHBondContact O-CB 3.25Å; N424-S430 PolarHBondContact O-OG 3.49Å; N424-S430 VanDerWaalsContact O-OG 3.06Å
425	M	88.6	Confident	95.2	Very high	52 Å²	52	41 Å²	41	26%	0.256	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.6	-21.2	177.3	-66.3	-174.8	68.9	0	0	115.1	I400 I402 H406 I423 H427 F431	I400-M425 WeakPolarHBondContact CD1-O 3.24Å; I402-M425 HydrophobicContact CD1-CE 4.15Å; I402-M425 HydrophobicContact CG2-CE 4.5Å; H406-M425 HydrophobicContact CB-CE 3.84Å; H406-M425 HydrophobicContact CB-CG 3.89Å; H406-M425 HydrophobicContact CB-SD 3.64Å; H406-M425 PolarHBondContact CD2-SD 3.45Å; I423-M425 PolarHBondContact O-N 2.92Å; M425-H427 VanDerWaalsContact C-N 3.33Å; M425-F431 HydrophobicContact CB-CZ 4.44Å
426	K	87.2	Confident	95.2	Very high	179 Å²	179	41.1 Å²	41.1	78%	0.778	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-13.4	179.4	-61	-172.9	179	-174.9	0	112.9	N424	N424-K426 PolarHBondContact O-N 3.27Å; N424-K426 WeakPolarHBondContact OD1-CB 3.25Å; N424-K426 PolarHBondContact OD1-N 2.93Å
427	H	90.9	Very high	95.2	Very high	77 Å²	77	40.8 Å²	40.8	36%	0.356	21%	0.205	S	C	.	.			trans	-114.9	114.4	-173.3	-171	59.4	0	0	0	110.9	N424 M425 E429 S430	N424-H427 HydrophobicContact CB-CB 4.44Å; N424-H427 PolarHBondContact O-N 2.04Å; N424-H427 VanDerWaalsContact O-N 3.15Å; M425-H427 VanDerWaalsContact C-N 3.33Å; H427-E429 VanDerWaalsContact C-N 3.29Å; H427-E429 PolarHBondContact O-N 2.99Å; H427-S430 WeakPolarHBondContact O-CB 3.45Å; H427-S430 PolarHBondContact O-N 2.94Å; H427-S430 PolarHBondContact O-OG 3.37Å; H427-S430 VanDerWaalsContact O-OG 3.07Å
428	F	93.8	Very high	95.3	Very high	4 Å²	4	40 Å²	40	2%	0.018	20%	0.202	C	C	.	.	H	α-helix	trans	-63.7	-33.9	-167.5	-172.4	-106.4	0	0	0	113.7	A363 A365 V391 H393 I400 S430 F431 K432	A363-F428 HydrophobicContact CB-CD1 4.23Å; A363-F428 HydrophobicContact CB-CE1 3.54Å; A363-F428 HydrophobicContact CB-CZ 4.27Å; A363-F428 WeakPolarHBondContact O-CZ 3.03Å; A365-F428 HydrophobicContact CB-CE2 4.23Å; A365-F428 HydrophobicContact CB-CZ 3.91Å; V391-F428 HydrophobicContact CG2-CE2 3.96Å; H393-F428 HydrophobicContact CB-CB 4.18Å; H393-F428 HydrophobicContact CB-CD1 3.64Å; H393-F428 HydrophobicContact CB-CD2 3.68Å; H393-F428 HydrophobicContact CB-CE1 3.83Å; H393-F428 HydrophobicContact CB-CE2 3.84Å; H393-F428 HydrophobicContact CB-CG 3.56Å; H393-F428 HydrophobicContact CB-CZ 3.91Å; H393-F428 AromaticContact CG-CG 3.8Å; I400-F428 HydrophobicContact CD1-CB 3.84Å; I400-F428 HydrophobicContact CD1-CD2 3.98Å; I400-F428 HydrophobicContact CD1-CG 4.44Å; I400-F428 HydrophobicContact CG1-CB 4.19Å; I400-F428 HydrophobicContact CG1-CD2 3.95Å; I400-F428 HydrophobicContact CG2-CD2 4.03Å; I400-F428 HydrophobicContact CG2-CE2 4.38Å; F428-S430 PolarHBondContact O-N 3.39Å; F428-S430 VanDerWaalsContact O-N 3.11Å; F428-F431 HydrophobicContact CD2-CD2 4.44Å; F428-F431 PolarHBondContact O-N 2.82Å; F428-K432 HydrophobicContact CD1-CD 4.44Å; F428-K432 VanDerWaalsContact CD1-CE 3.5Å; F428-K432 HydrophobicContact CD1-CG 4.33Å; F428-K432 HydrophobicContact CE1-CD 4.35Å; F428-K432 HydrophobicContact CE1-CG 4.11Å; F428-K432 PolarHBondContact O-N 2.87Å
429	E	95.7	Very high	95.4	Very high	63 Å²	63	39.3 Å²	39.3	29%	0.294	20%	0.198	S	C	.	.	H	α-helix	trans	-58.4	-24.3	175.6	-66.6	-62.9	126.3	0	0	113.1	H427 F431 K432 R433	H427-E429 VanDerWaalsContact C-N 3.29Å; H427-E429 PolarHBondContact O-N 2.99Å; E429-F431 VanDerWaalsContact C-N 3.3Å; E429-F431 PolarHBondContact O-N 2.82Å; E429-K432 PolarHBondContact O-N 2.85Å; E429-K432 WeakPolarHBondContact OE1-CD 3.45Å; E429-K432 VanDerWaalsContact OE1-CE 3.26Å; E429-K432 WeakPolarHBondContact OE1-CE 3.04Å; E429-K432 IonicContact OE1-NZ 3.64Å; E429-K432 PolarHBondContact OE1-NZ 2.82Å; E429-R433 WeakPolarHBondContact O-CB 3.49Å; E429-R433 VanDerWaalsContact O-CD 3.22Å; E429-R433 WeakPolarHBondContact O-CD 3.35Å; E429-R433 WeakPolarHBondContact O-CG 3.36Å; E429-R433 PolarHBondContact O-N 2.89Å
430	S	95.8	Very high	95.5	Very high	12 Å²	12	39.3 Å²	39.3	8%	0.084	20%	0.198	C	C	.	.	H	α-helix	trans	-60.1	-41	173.6	-54.4	0	0	0	0	111.7	N424 H427 F428 R433 A434	N424-S430 WeakPolarHBondContact O-CB 3.25Å; N424-S430 PolarHBondContact O-OG 3.49Å; N424-S430 VanDerWaalsContact O-OG 3.06Å; H427-S430 WeakPolarHBondContact O-CB 3.45Å; H427-S430 PolarHBondContact O-N 2.94Å; H427-S430 PolarHBondContact O-OG 3.37Å; H427-S430 VanDerWaalsContact O-OG 3.07Å; F428-S430 PolarHBondContact O-N 3.39Å; F428-S430 VanDerWaalsContact O-N 3.11Å; S430-R433 PolarHBondContact O-N 2.82Å; S430-A434 PolarHBondContact O-N 2.93Å
431	F	96.4	Very high	95.7	Very high	4 Å²	4	36.6 Å²	36.6	2%	0.018	18%	0.184	C	C	.	.	H	α-helix	trans	-71.4	-40.7	178.1	-59.9	-77.8	0	0	0	111.6	A365 R367 V391 I400 I402 I423 M425 F428 E429 R433 A434 D435	A365-F431 HydrophobicContact CB-CB 3.49Å; A365-F431 VanDerWaalsContact CB-CB 3.49Å; R367-F431 HydrophobicContact CG-CD1 4.03Å; V391-F431 HydrophobicContact CG2-CG 4.32Å; I400-F431 HydrophobicContact CD1-CD2 4.23Å; I400-F431 HydrophobicContact CD1-CE2 3.83Å; I400-F431 HydrophobicContact CG2-CE2 4.44Å; I402-F431 HydrophobicContact CD1-CE1 3.6Å; I402-F431 HydrophobicContact CD1-CE2 4.27Å; I402-F431 HydrophobicContact CD1-CZ 3.38Å; I423-F431 HydrophobicContact CD1-CD1 4.2Å; I423-F431 HydrophobicContact CD1-CE1 4.23Å; M425-F431 HydrophobicContact CB-CZ 4.44Å; F428-F431 HydrophobicContact CD2-CD2 4.44Å; F428-F431 PolarHBondContact O-N 2.82Å; E429-F431 VanDerWaalsContact C-N 3.3Å; E429-F431 PolarHBondContact O-N 2.82Å; F431-R433 VanDerWaalsContact C-N 3.33Å; F431-R433 PolarHBondContact O-N 2.99Å; F431-A434 WeakPolarHBondContact O-CB 3.15Å; F431-A434 PolarHBondContact O-N 3.29Å; F431-D435 PolarHBondContact O-N 3.37Å
432	K	98.2	Very high	95.9	Very high	30 Å²	30	33.4 Å²	33.4	13%	0.13	17%	0.167	C	C	.	.	H	α-helix	trans	-57.3	-46.9	172.2	-65	-173.2	-168.2	166.3	0	111.2	H352 F428 E429 A434 D435 I436	H352-K432 HydrophobicContact CB-CD 4.02Å; H352-K432 HydrophobicContact CB-CG 4.43Å; H352-K432 PolarHBondContact CE1-O 3.35Å; H352-K432 WeakPolarHBondContact O-CE 3.4Å; H352-K432 PolarHBondContact O-NZ 2.91Å; F428-K432 HydrophobicContact CD1-CD 4.44Å; F428-K432 VanDerWaalsContact CD1-CE 3.5Å; F428-K432 HydrophobicContact CD1-CG 4.33Å; F428-K432 HydrophobicContact CE1-CD 4.35Å; F428-K432 HydrophobicContact CE1-CG 4.11Å; F428-K432 PolarHBondContact O-N 2.87Å; E429-K432 PolarHBondContact O-N 2.85Å; E429-K432 WeakPolarHBondContact OE1-CD 3.45Å; E429-K432 VanDerWaalsContact OE1-CE 3.26Å; E429-K432 WeakPolarHBondContact OE1-CE 3.04Å; E429-K432 IonicContact OE1-NZ 3.64Å; E429-K432 PolarHBondContact OE1-NZ 2.82Å; K432-A434 VanDerWaalsContact C-N 3.29Å; K432-A434 PolarHBondContact O-N 2.92Å; K432-D435 WeakPolarHBondContact O-CB 3.36Å; K432-D435 PolarHBondContact O-N 3.28Å; K432-D435 VanDerWaalsContact O-N 3.15Å; K432-I436 WeakPolarHBondContact O-CG1 3.32Å; K432-I436 PolarHBondContact O-N 3.17Å; K432-I436 VanDerWaalsContact O-N 3.08Å
433	R	98.6	Very high	96.1	Very high	75 Å²	75	29.5 Å²	29.5	28%	0.283	14%	0.14	S	C	.	.	H	α-helix	trans	-62.5	-34.1	179	-68.6	159.7	-176.4	176.5	6.1	112.3	E429 S430 F431 I436 Y437 G514 R517	E429-R433 WeakPolarHBondContact O-CB 3.49Å; E429-R433 VanDerWaalsContact O-CD 3.22Å; E429-R433 WeakPolarHBondContact O-CD 3.35Å; E429-R433 WeakPolarHBondContact O-CG 3.36Å; E429-R433 PolarHBondContact O-N 2.89Å; S430-R433 PolarHBondContact O-N 2.82Å; F431-R433 VanDerWaalsContact C-N 3.33Å; F431-R433 PolarHBondContact O-N 2.99Å; R433-I436 PolarHBondContact O-N 2.94Å; R433-Y437 PolarHBondContact O-N 2.76Å; R433-G514 WeakPolarHBondContact CD-O 3.34Å; R433-G514 VanDerWaalsContact CG-O 3.28Å; R433-G514 WeakPolarHBondContact CG-O 3.42Å; R433-R517 VanDerWaalsContact C-NH1 3.34Å; R433-R517 WeakPolarHBondContact O-CD 3.23Å; R433-R517 PolarHBondContact O-NH1 3.28Å
434	A	98.4	Very high	96.4	Very high	14 Å²	14	29.6 Å²	29.6	12%	0.116	14%	0.139	C	C	.	.	H	α-helix	trans	-66.9	-42	173	0	0	0	0	0	112.1	A415 V418 S430 F431 K432 I436 Y437 A438	A415-A434 HydrophobicContact CB-CB 4Å; V418-A434 HydrophobicContact CG2-CB 4.14Å; S430-A434 PolarHBondContact O-N 2.93Å; F431-A434 WeakPolarHBondContact O-CB 3.15Å; F431-A434 PolarHBondContact O-N 3.29Å; K432-A434 VanDerWaalsContact C-N 3.29Å; K432-A434 PolarHBondContact O-N 2.92Å; A434-I436 VanDerWaalsContact C-N 3.3Å; A434-I436 PolarHBondContact O-N 2.83Å; A434-Y437 WeakPolarHBondContact O-CB 3.44Å; A434-Y437 PolarHBondContact O-N 2.91Å; A434-A438 PolarHBondContact O-N 3.23Å; A434-A438 VanDerWaalsContact O-N 3.16Å
435	D	98.8	Very high	96.7	Very high	2 Å²	2	25.5 Å²	25.5	1%	0.011	12%	0.117	C	C	.	.	H	α-helix	trans	-60.8	-38.1	173.7	-65.3	-25.9	0	0	0	112.2	L348 H352 A365 H366 R367 F431 K432 Y437 A438 M439	L348-D435 HydrophobicContact CD1-CB 4.07Å; L348-D435 HydrophobicContact CD2-CB 4.13Å; H352-D435 IonicContact CD2-OD2 2.71Å; H352-D435 IonicContact CE1-OD2 3.64Å; H352-D435 IonicContact NE2-OD2 3.78Å; H352-D435 PolarHBondContact NE2-OD2 2.79Å; A365-D435 WeakPolarHBondContact CA-OD2 3.48Å; H366-D435 PolarHBondContact N-OD1 3.4Å; H366-D435 PolarHBondContact N-OD2 3.32Å; R367-D435 PolarHBondContact N-OD1 3.42Å; F431-D435 PolarHBondContact O-N 3.37Å; K432-D435 WeakPolarHBondContact O-CB 3.36Å; K432-D435 PolarHBondContact O-N 3.28Å; K432-D435 VanDerWaalsContact O-N 3.15Å; D435-Y437 VanDerWaalsContact C-N 3.35Å; D435-Y437 PolarHBondContact O-N 3.3Å; D435-A438 PolarHBondContact O-N 3.18Å; D435-M439 WeakPolarHBondContact O-CB 3.36Å; D435-M439 PolarHBondContact O-N 3.49Å
436	I	98.9	Very high	97.2	Very high	3 Å²	3	23 Å²	23	2%	0.015	11%	0.105	C	C	.	.	H	α-helix	trans	-63.3	-41.4	177.3	-59.9	-60.5	0	0	0	111.5	L348 K432 R433 A434 A438 M439 G440 C509 R517 L518 A520 I523	L348-I436 HydrophobicContact CD2-CD1 4.01Å; K432-I436 WeakPolarHBondContact O-CG1 3.32Å; K432-I436 PolarHBondContact O-N 3.17Å; K432-I436 VanDerWaalsContact O-N 3.08Å; R433-I436 PolarHBondContact O-N 2.94Å; A434-I436 VanDerWaalsContact C-N 3.3Å; A434-I436 PolarHBondContact O-N 2.83Å; I436-A438 VanDerWaalsContact C-N 3.33Å; I436-A438 PolarHBondContact O-N 2.88Å; I436-M439 HydrophobicContact CD1-CE 3.9Å; I436-M439 PolarHBondContact O-N 3.15Å; I436-G440 PolarHBondContact O-N 3.37Å; I436-C509 HydrophobicContact CG2-CB 3.98Å; I436-R517 HydrophobicContact CG2-CB 4.15Å; I436-L518 WeakPolarHBondContact CG1-O 3.19Å; I436-L518 WeakPolarHBondContact CG2-O 3.41Å; I436-A520 HydrophobicContact CD1-CB 3.79Å; I436-A520 VanDerWaalsContact CD1-N 3.29Å; I436-I523 HydrophobicContact CD1-CD1 4.39Å; I436-I523 HydrophobicContact CG2-CD1 4.18Å
437	Y	98.9	Very high	97.7	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	7%	0.068	C	C	.	.	H	α-helix	trans	-58	-48.6	174.7	171.5	-83.2	0	0	0	110.7	M414 A415 P416 R433 A434 D435 M439 G440 L441 Y463 V480 W510	M414-Y437 WeakPolarHBondContact O-CE1 3.24Å; A415-Y437 VanDerWaalsContact CA-CD1 3.46Å; A415-Y437 HydrophobicContact CB-CD1 3.83Å; A415-Y437 HydrophobicContact CB-CD2 4.39Å; A415-Y437 HydrophobicContact CB-CG 3.77Å; P416-Y437 HydrophobicContact CG-CD2 4.49Å; P416-Y437 HydrophobicContact CG-CE2 4.1Å; R433-Y437 PolarHBondContact O-N 2.76Å; A434-Y437 WeakPolarHBondContact O-CB 3.44Å; A434-Y437 PolarHBondContact O-N 2.91Å; D435-Y437 VanDerWaalsContact C-N 3.35Å; D435-Y437 PolarHBondContact O-N 3.3Å; Y437-M439 PolarHBondContact O-N 3.13Å; Y437-G440 PolarHBondContact O-N 3.14Å; Y437-G440 VanDerWaalsContact O-N 3.15Å; Y437-L441 HydrophobicContact CD1-CD1 4.2Å; Y437-L441 HydrophobicContact CE1-CD1 3.59Å; Y437-L441 HydrophobicContact CE1-CG 4.25Å; Y437-L441 PolarHBondContact O-N 2.76Å; Y437-Y463 PolarHBondContact OH-OH 2.88Å; Y437-V480 VanDerWaalsContact OH-CG1 3.3Å; Y437-V480 WeakPolarHBondContact OH-CG1 3.23Å; Y437-W510 HydrophobicContact CD2-CB 3.88Å; Y437-W510 HydrophobicContact CE2-CB 3.91Å
438	A	98.9	Very high	98	Very high	5 Å²	5	11 Å²	11	4%	0.041	5%	0.053	C	C	.	.	H	α-helix	trans	-63.7	-39.5	178.8	0	0	0	0	0	112.5	L369 A434 D435 I436 G440 L441 V442	L369-A438 HydrophobicContact CB-CB 4.16Å; L369-A438 WeakPolarHBondContact O-CB 3.25Å; A434-A438 PolarHBondContact O-N 3.23Å; A434-A438 VanDerWaalsContact O-N 3.16Å; D435-A438 PolarHBondContact O-N 3.18Å; I436-A438 VanDerWaalsContact C-N 3.33Å; I436-A438 PolarHBondContact O-N 2.88Å; A438-G440 VanDerWaalsContact C-N 3.3Å; A438-G440 PolarHBondContact O-N 3.14Å; A438-L441 WeakPolarHBondContact O-CB 3.38Å; A438-L441 PolarHBondContact O-N 2.02Å; A438-L441 VanDerWaalsContact O-N 3.12Å; A438-V442 PolarHBondContact O-N 2.89Å
439	M	98.9	Very high	98.2	Very high	0 Å²	0	11.7 Å²	11.7	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-63.2	-35.3	173.8	-168.1	172.2	57.5	0	0	112.2	T344 A345 L348 L369 D435 I436 Y437 L441 V442 F443 A520 I523	T344-M439 HydrophobicContact CG2-CG 4.42Å; T344-M439 HydrophobicContact CG2-SD 4.37Å; A345-M439 HydrophobicContact CB-SD 4.36Å; L348-M439 HydrophobicContact CB-SD 4.18Å; L348-M439 HydrophobicContact CD2-CB 4.17Å; L348-M439 HydrophobicContact CD2-CE 3.76Å; L348-M439 HydrophobicContact CD2-CG 4.43Å; L348-M439 HydrophobicContact CD2-SD 3.56Å; L348-M439 VanDerWaalsContact CD2-SD 3.56Å; L369-M439 HydrophobicContact CD2-CB 3.7Å; L369-M439 HydrophobicContact CD2-CG 4.28Å; D435-M439 WeakPolarHBondContact O-CB 3.36Å; D435-M439 PolarHBondContact O-N 3.49Å; I436-M439 HydrophobicContact CD1-CE 3.9Å; I436-M439 PolarHBondContact O-N 3.15Å; Y437-M439 PolarHBondContact O-N 3.13Å; M439-L441 VanDerWaalsContact C-N 3.27Å; M439-L441 PolarHBondContact O-N 2.95Å; M439-V442 PolarHBondContact O-N 2.89Å; M439-F443 HydrophobicContact CE-CE2 4.08Å; M439-F443 HydrophobicContact CE-CZ 3.99Å; M439-F443 HydrophobicContact CG-CD1 4.36Å; M439-F443 HydrophobicContact CG-CD2 4.46Å; M439-F443 HydrophobicContact CG-CE1 3.8Å; M439-F443 HydrophobicContact CG-CE2 3.92Å; M439-F443 HydrophobicContact CG-CZ 3.55Å; M439-F443 WeakPolarHBondContact O-CG 3.42Å; M439-F443 PolarHBondContact O-N 2.94Å; M439-F443 HydrophobicContact SD-CE1 4.2Å; M439-F443 HydrophobicContact SD-CE2 4.24Å; M439-F443 HydrophobicContact SD-CZ 3.62Å; M439-A520 HydrophobicContact CE-CB 4.45Å; M439-I523 HydrophobicContact CE-CB 4.47Å; M439-I523 HydrophobicContact CE-CD1 3.35Å; M439-I523 HydrophobicContact CE-CG1 4.49Å; M439-I523 HydrophobicContact CE-CG2 4.22Å
440	G	98.9	Very high	98.3	Very high	0 Å²	0	8.8 Å²	8.8	0%	0	4%	0.042	C	C	.	.	H	α-helix	trans	-60.8	-35.3	172.6	0	0	0	0	0	113.2	I436 Y437 A438 W444	I436-G440 PolarHBondContact O-N 3.37Å; Y437-G440 PolarHBondContact O-N 3.14Å; Y437-G440 VanDerWaalsContact O-N 3.15Å; A438-G440 VanDerWaalsContact C-N 3.3Å; A438-G440 PolarHBondContact O-N 3.14Å; G440-W444 PolarHBondContact O-N 2.87Å
441	L	98.9	Very high	98.4	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-71.5	-40.5	173.4	-57.8	176.4	0	0	0	111.7	Y413 Y437 A438 M439 F443 W444 E445 P462 Y463 P487 W510	Y413-L441 HydrophobicContact CD1-CB 4.06Å; Y413-L441 HydrophobicContact CD1-CD1 4.05Å; Y413-L441 HydrophobicContact CE1-CB 4.19Å; Y413-L441 HydrophobicContact CG-CD1 4.48Å; Y437-L441 HydrophobicContact CD1-CD1 4.2Å; Y437-L441 HydrophobicContact CE1-CD1 3.59Å; Y437-L441 HydrophobicContact CE1-CG 4.25Å; Y437-L441 PolarHBondContact O-N 2.76Å; A438-L441 WeakPolarHBondContact O-CB 3.38Å; A438-L441 PolarHBondContact O-N 2.02Å; A438-L441 VanDerWaalsContact O-N 3.12Å; M439-L441 VanDerWaalsContact C-N 3.27Å; M439-L441 PolarHBondContact O-N 2.95Å; L441-F443 VanDerWaalsContact C-N 3.33Å; L441-F443 PolarHBondContact O-N 3.2Å; L441-W444 WeakPolarHBondContact O-CB 3.07Å; L441-W444 PolarHBondContact O-N 2.99Å; L441-W444 VanDerWaalsContact O-N 3.16Å; L441-E445 PolarHBondContact O-N 3.39Å; L441-P462 HydrophobicContact CB-CB 4.1Å; L441-P462 HydrophobicContact CB-CG 3.85Å; L441-P462 HydrophobicContact CD1-CB 4.48Å; L441-P462 HydrophobicContact CD2-CB 4.18Å; L441-P462 HydrophobicContact CG-CB 4.49Å; L441-Y463 HydrophobicContact CD1-CE2 3.98Å; L441-Y463 HydrophobicContact CD2-CE2 3.8Å; L441-P487 HydrophobicContact CD2-CG 3.72Å; L441-W510 HydrophobicContact CD2-CE3 4.16Å
442	V	98.9	Very high	98.2	Very high	0 Å²	0	12.3 Å²	12.3	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-62.1	-39.8	173.9	174.1	0	0	0	0	111.6	L323 I374 Y413 A438 M439 W444 E445 I446	L323-V442 HydrophobicContact CD2-CG1 3.63Å; I374-V442 HydrophobicContact CD1-CG1 3.76Å; I374-V442 HydrophobicContact CD1-CG2 4.21Å; Y413-V442 HydrophobicContact CE1-CG2 4.17Å; A438-V442 PolarHBondContact O-N 2.89Å; M439-V442 PolarHBondContact O-N 2.89Å; V442-W444 VanDerWaalsContact C-N 3.26Å; V442-W444 PolarHBondContact O-N 3Å; V442-E445 WeakPolarHBondContact O-CB 3.13Å; V442-E445 PolarHBondContact O-N 2.95Å; V442-E445 VanDerWaalsContact O-N 3.15Å; V442-I446 HydrophobicContact CG1-CD1 4.25Å; V442-I446 WeakPolarHBondContact O-CG1 3.49Å; V442-I446 PolarHBondContact O-N 3.2Å
443	F	98.9	Very high	97.8	Very high	0 Å²	0	14.9 Å²	14.9	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-64	-31	175.2	-69.8	-17.5	0	0	0	113.3	A345 M439 L441 I446 A447 M502 I505 M506 I523 L527	A345-F443 HydrophobicContact CB-CZ 4.24Å; M439-F443 HydrophobicContact CE-CE2 4.08Å; M439-F443 HydrophobicContact CE-CZ 3.99Å; M439-F443 HydrophobicContact CG-CD1 4.36Å; M439-F443 HydrophobicContact CG-CD2 4.46Å; M439-F443 HydrophobicContact CG-CE1 3.8Å; M439-F443 HydrophobicContact CG-CE2 3.92Å; M439-F443 HydrophobicContact CG-CZ 3.55Å; M439-F443 WeakPolarHBondContact O-CG 3.42Å; M439-F443 PolarHBondContact O-N 2.94Å; M439-F443 HydrophobicContact SD-CE1 4.2Å; M439-F443 HydrophobicContact SD-CE2 4.24Å; M439-F443 HydrophobicContact SD-CZ 3.62Å; L441-F443 VanDerWaalsContact C-N 3.33Å; L441-F443 PolarHBondContact O-N 3.2Å; F443-I446 HydrophobicContact CD1-CD1 4.26Å; F443-A447 VanDerWaalsContact O-CB 3.24Å; F443-A447 WeakPolarHBondContact O-CB 3.46Å; F443-A447 PolarHBondContact O-N 2.79Å; F443-M502 HydrophobicContact CB-CE 3.74Å; F443-M502 HydrophobicContact CD1-CE 4.23Å; F443-M502 HydrophobicContact CD2-CE 4.47Å; F443-M502 HydrophobicContact CG-CE 3.91Å; F443-I505 HydrophobicContact CD2-CG2 3.78Å; F443-I505 HydrophobicContact CE2-CG2 3.76Å; F443-M506 HydrophobicContact CB-CE 4.42Å; F443-M506 HydrophobicContact CB-CG 4.05Å; F443-M506 WeakPolarHBondContact O-CE 3.37Å; F443-I523 HydrophobicContact CE2-CD1 4.5Å; F443-I523 HydrophobicContact CE2-CG2 3.59Å; F443-I523 HydrophobicContact CZ-CG2 3.75Å; F443-L527 HydrophobicContact CZ-CD1 4.14Å
444	W	98.8	Very high	97.4	Very high	14 Å²	14	13.8 Å²	13.8	5%	0.053	11%	0.111	C	C	.	.	H	α-helix	trans	-64.8	-45.3	171.2	179.8	89.1	0	0	0	110.9	G440 L441 V442 I446 A447 S448 Q460 P462 Y464 P487 N488 W493 M506 W510	G440-W444 PolarHBondContact O-N 2.87Å; L441-W444 WeakPolarHBondContact O-CB 3.07Å; L441-W444 PolarHBondContact O-N 2.99Å; L441-W444 VanDerWaalsContact O-N 3.16Å; V442-W444 VanDerWaalsContact C-N 3.26Å; V442-W444 PolarHBondContact O-N 3Å; W444-I446 PolarHBondContact O-N 3.1Å; W444-A447 PolarHBondContact O-N 3.33Å; W444-S448 WeakPolarHBondContact O-CB 3.5Å; W444-S448 PolarHBondContact O-N 2.88Å; W444-S448 PolarHBondContact O-OG 2.94Å; W444-Q460 HydrophobicContact CH2-CB 4.26Å; W444-P462 HydrophobicContact CE3-CB 4.49Å; W444-P462 HydrophobicContact CE3-CG 4.29Å; W444-Y464 HydrophobicContact CH2-CD1 4.06Å; W444-Y464 AromaticContact CH2-CE1 3.97Å; W444-Y464 HydrophobicContact CH2-CE1 3.97Å; W444-Y464 HydrophobicContact CZ2-CE1 4.45Å; W444-P487 HydrophobicContact CD2-CB 3.65Å; W444-P487 HydrophobicContact CD2-CG 4.44Å; W444-P487 HydrophobicContact CE3-CB 4.28Å; W444-P487 HydrophobicContact CG-CB 3.81Å; W444-P487 HydrophobicContact CZ2-CB 4.08Å; W444-N488 PolarHBondContact NE1-O 2.9Å; W444-W493 AromaticContact CD1-CH2 3.68Å; W444-W493 HydrophobicContact CG-CH2 4.4Å; W444-M506 VanDerWaalsContact CA-SD 3.57Å; W444-M506 HydrophobicContact CB-SD 3.7Å; W444-M506 HydrophobicContact CG-SD 4.34Å; W444-W510 HydrophobicContact CB-CZ3 4.42Å
445	E	98.8	Very high	97	Very high	1 Å²	1	18.3 Å²	18.3	1%	0.005	13%	0.133	C	C	.	.	H	α-helix	trans	-58.1	-43.6	175.7	-62.7	175.9	-118	0	0	112.5	L327 S371 Y413 L441 V442 Y459 P462	L327-E445 HydrophobicContact CD1-CB 4.03Å; S371-E445 WeakPolarHBondContact CB-OE2 3.35Å; S371-E445 PolarHBondContact OG-OE1 2.92Å; S371-E445 PolarHBondContact OG-OE2 3.04Å; Y413-E445 VanDerWaalsContact CE1-OE1 3.24Å; Y413-E445 WeakPolarHBondContact CE1-OE1 3.5Å; Y413-E445 PolarHBondContact OH-OE1 2.84Å; L441-E445 PolarHBondContact O-N 3.39Å; V442-E445 WeakPolarHBondContact O-CB 3.13Å; V442-E445 PolarHBondContact O-N 2.95Å; V442-E445 VanDerWaalsContact O-N 3.15Å; E445-Y459 HydrophobicContact CB-CE2 4.24Å; E445-Y459 HydrophobicContact CG-CE2 4.48Å; E445-Y459 PolarHBondContact OE2-OH 3.37Å; E445-P462 HydrophobicContact CG-CG 3.82Å
446	I	98.8	Very high	96.6	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-65.8	-47.4	177.5	-57.7	168.7	0	0	0	110.4	L323 L327 M337 L340 V442 F443 W444 S448 R449 C450	L323-I446 HydrophobicContact CD1-CG1 4.34Å; L323-I446 HydrophobicContact CD2-CD1 3.95Å; L323-I446 HydrophobicContact CD2-CG1 3.95Å; L327-I446 HydrophobicContact CD1-CG1 4.07Å; M337-I446 HydrophobicContact CB-CG2 4.19Å; M337-I446 HydrophobicContact CG-CG2 3.92Å; L340-I446 HydrophobicContact CB-CD1 4.08Å; L340-I446 HydrophobicContact CB-CG2 4.24Å; L340-I446 HydrophobicContact CD1-CG2 4.21Å; V442-I446 HydrophobicContact CG1-CD1 4.25Å; V442-I446 WeakPolarHBondContact O-CG1 3.49Å; V442-I446 PolarHBondContact O-N 3.2Å; F443-I446 HydrophobicContact CD1-CD1 4.26Å; W444-I446 PolarHBondContact O-N 3.1Å; I446-S448 PolarHBondContact O-N 2.03Å; I446-R449 PolarHBondContact O-N 3.06Å; I446-R449 VanDerWaalsContact O-N 3.12Å; I446-C450 PolarHBondContact O-N 3.17Å
447	A	98.4	Very high	96.3	Very high	0 Å²	0	23 Å²	23	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-66.3	-37.1	-175.6	0	0	0	0	0	113	M337 F443 W444 R449 C450 W493 L499 M506	M337-A447 HydrophobicContact SD-CB 4.09Å; F443-A447 VanDerWaalsContact O-CB 3.24Å; F443-A447 WeakPolarHBondContact O-CB 3.46Å; F443-A447 PolarHBondContact O-N 2.79Å; W444-A447 PolarHBondContact O-N 3.33Å; A447-R449 PolarHBondContact O-N 3.23Å; A447-C450 WeakPolarHBondContact O-CB 3.23Å; A447-C450 PolarHBondContact O-N 3.25Å; A447-W493 HydrophobicContact CB-CE3 4.48Å; A447-W493 HydrophobicContact CB-CH2 3.56Å; A447-W493 HydrophobicContact CB-CZ2 3.87Å; A447-W493 HydrophobicContact CB-CZ3 3.91Å; A447-L499 HydrophobicContact CB-CD2 3.9Å; A447-M506 HydrophobicContact CB-CE 3.51Å
448	S	97.4	Very high	96.1	Very high	5 Å²	5	29 Å²	29	4%	0.035	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-23.1	173	-69.5	0	0	0	0	113.4	W444 I446 E457	W444-S448 WeakPolarHBondContact O-CB 3.5Å; W444-S448 PolarHBondContact O-N 2.88Å; W444-S448 PolarHBondContact O-OG 2.94Å; I446-S448 PolarHBondContact O-N 2.03Å; S448-E457 VanDerWaalsContact O-CB 3.3Å; S448-E457 WeakPolarHBondContact O-CB 3.44Å; S448-E457 PolarHBondContact O-N 3.18Å; S448-E457 VanDerWaalsContact O-N 3.08Å
449	R	97.9	Very high	96	Very high	18 Å²	18	29.9 Å²	29.9	7%	0.068	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	2.8	176.4	-58.5	-61.2	-71.9	160.8	-4.1	113.8	L327 Y330 T331 V332 I446 A447 S451 H456 E457 Y459	L327-R449 HydrophobicContact CB-CG 4.13Å; L327-R449 HydrophobicContact CD2-CB 3.9Å; L327-R449 HydrophobicContact CD2-CG 4.01Å; L327-R449 PolarHBondContact O-NE 2.97Å; L327-R449 PolarHBondContact O-NH2 2.95Å; Y330-R449 PolarHBondContact O-NE 3.43Å; Y330-R449 PolarHBondContact O-NH2 2.89Å; T331-R449 WeakPolarHBondContact CA-O 3.47Å; V332-R449 PolarHBondContact N-O 2.81Å; I446-R449 PolarHBondContact O-N 3.06Å; I446-R449 VanDerWaalsContact O-N 3.12Å; A447-R449 PolarHBondContact O-N 3.23Å; R449-S451 PolarHBondContact O-N 3.24Å; R449-H456 PolarHBondContact NH1-CD2 2.99Å; R449-E457 WeakPolarHBondContact CD-O 3.47Å; R449-E457 PolarHBondContact NH1-O 3.08Å; R449-Y459 HydrophobicContact CG-CD2 4.29Å
450	C	97.7	Very high	96	Very high	2 Å²	2	33.5 Å²	33.5	1%	0.014	21%	0.205	C	C	.	.	B	Isolated β-bridge	trans	-74.6	105.1	176	-174.4	0	0	0	0	110.6	V332 M337 I446 A447 V452 L499	V332-C450 HydrophobicContact CG2-CB 4.37Å; V332-C450 CarbonylContact O-C 3.46Å; V332-C450 WeakPolarHBondContact O-CA 2.95Å; M337-C450 HydrophobicContact CB-CB 4.31Å; M337-C450 HydrophobicContact SD-CB 3.8Å; I446-C450 PolarHBondContact O-N 3.17Å; A447-C450 WeakPolarHBondContact O-CB 3.23Å; A447-C450 PolarHBondContact O-N 3.25Å; C450-V452 PolarHBondContact O-N 2.68Å; C450-L499 HydrophobicContact CB-CD2 4.02Å
451	S	96.4	Very high	95.9	Very high	33 Å²	33	35.7 Å²	35.7	23%	0.231	22%	0.217	C	C	.	.			trans	-80.9	117.3	177.6	-173.1	0	0	0	0	111	V332 R449 G454 I455	V332-S451 PolarHBondContact O-N 3.23Å; R449-S451 PolarHBondContact O-N 3.24Å; S451-G454 WeakPolarHBondContact OG-CA 3.49Å; S451-I455 WeakPolarHBondContact CA-O 3.01Å
452	V	93.8	Very high	95.9	Very high	56 Å²	56	35.7 Å²	35.7	34%	0.339	22%	0.217	S	C	.	.	B	Isolated β-bridge	trans	-120.9	116	176	-176.6	0	0	0	0	108	V334 C450 G454 I455 L499	V334-V452 HydrophobicContact CG2-CG2 4.14Å; C450-V452 PolarHBondContact O-N 2.68Å; V452-G454 PolarHBondContact O-N 2.85Å; V452-I455 PolarHBondContact N-O 2.81Å; V452-I455 VanDerWaalsContact N-O 3.13Å; V452-I455 PolarHBondContact O-N 2.81Å; V452-I455 VanDerWaalsContact O-N 3.14Å; V452-L499 HydrophobicContact CG2-CD1 3.93Å
453	G	88.9	Confident	95.9	Very high	84 Å²	84	35.7 Å²	35.7	87%	0.866	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.4	26.1	-173.7	0	0	0	0	0	113.9	I455	G453-I455 VanDerWaalsContact C-N 3.27Å; G453-I455 PolarHBondContact O-N 2.8Å
454	G	89.7	Confident	95.8	Very high	53 Å²	53	41.2 Å²	41.2	55%	0.546	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	85.3	-14	-174.9	0	0	0	0	0	114.6	S451 V452 H456	S451-G454 WeakPolarHBondContact OG-CA 3.49Å; V452-G454 PolarHBondContact O-N 2.85Å; G454-H456 PolarHBondContact O-ND1 3.3Å
455	I	90.6	Very high	95.8	Very high	109 Å²	109	44.4 Å²	44.4	56%	0.559	26%	0.257	S	S	*	.	B	Isolated β-bridge	trans	-84.5	126.3	-177.2	-55.9	172.9	0	0	0	109.7	S451 V452 G453	S451-I455 WeakPolarHBondContact CA-O 3.01Å; V452-I455 PolarHBondContact N-O 2.81Å; V452-I455 VanDerWaalsContact N-O 3.13Å; V452-I455 PolarHBondContact O-N 2.81Å; V452-I455 VanDerWaalsContact O-N 3.14Å; G453-I455 VanDerWaalsContact C-N 3.27Å; G453-I455 PolarHBondContact O-N 2.8Å
456	H	90.8	Very high	95.7	Very high	72 Å²	72	47.5 Å²	47.5	33%	0.333	27%	0.273	S	S	.	.			trans	-154.8	168.9	178.9	58.6	-80.8	0	0	0	110.9	T331 R449 G454 R492	T331-H456 HydrophobicContact CG2-CB 4.42Å; T331-H456 WeakPolarHBondContact CG2-CD2 3.49Å; T331-H456 WeakPolarHBondContact CG2-NE2 3.47Å; R449-H456 PolarHBondContact NH1-CD2 2.99Å; G454-H456 PolarHBondContact O-ND1 3.3Å; H456-R492 VanDerWaalsContact C-NH2 3.32Å; H456-R492 PolarHBondContact O-NH2 2.96Å
457	E	92.4	Very high	95.7	Very high	31 Å²	31	48.4 Å²	48.4	15%	0.145	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-96	148.5	173.9	-62.3	78.6	154	0	0	109.5	S448 R449 P490 R492 W493	S448-E457 VanDerWaalsContact O-CB 3.3Å; S448-E457 WeakPolarHBondContact O-CB 3.44Å; S448-E457 PolarHBondContact O-N 3.18Å; S448-E457 VanDerWaalsContact O-N 3.08Å; R449-E457 WeakPolarHBondContact CD-O 3.47Å; R449-E457 PolarHBondContact NH1-O 3.08Å; E457-P490 WeakPolarHBondContact OE1-CG 3Å; E457-R492 IonicContact OE1-CZ 3.35Å; E457-R492 IonicContact OE1-NE 3.47Å; E457-R492 PolarHBondContact OE1-NE 2.92Å; E457-R492 IonicContact OE1-NH1 3.95Å; E457-R492 IonicContact OE1-NH2 3.38Å; E457-R492 PolarHBondContact OE1-NH2 3.24Å; E457-R492 IonicContact OE2-CZ 3.3Å; E457-R492 VanDerWaalsContact OE2-CZ 3.3Å; E457-R492 IonicContact OE2-NE 3.91Å; E457-R492 PolarHBondContact OE2-NE 2.79Å; E457-R492 IonicContact OE2-NH2 2.68Å; E457-R492 PolarHBondContact OE2-NH2 3.38Å; E457-W493 PolarHBondContact OE1-NE1 3.17Å
458	D	94.8	Very high	95.5	Very high	125 Å²	125	54.8 Å²	54.8	67%	0.668	31%	0.308	S	S	*	.	P	Polyproline II helix	trans	-61.4	151.6	165.1	-74.4	-43.3	0	0	0	111	Q460	D458-Q460 PolarHBondContact O-N 3.12Å
459	Y	97.1	Very high	95.2	Very high	25 Å²	25	59.9 Å²	59.9	10%	0.098	34%	0.343	C	S	.	.	P	Polyproline II helix	trans	-64.7	129.7	177.6	179	-93.4	0	0	0	110.8	F324 L327 N328 E445 R449 L461	F324-Y459 AromaticContact CD2-CE1 3.92Å; F324-Y459 HydrophobicContact CD2-CE1 3.92Å; F324-Y459 AromaticContact CD2-CZ 3.83Å; F324-Y459 WeakPolarHBondContact CD2-OH 3.27Å; F324-Y459 AromaticContact CE2-CE1 3.71Å; F324-Y459 HydrophobicContact CE2-CE1 3.71Å; F324-Y459 HydrophobicContact CZ-CE1 4.42Å; L327-Y459 HydrophobicContact CB-CD2 3.55Å; L327-Y459 HydrophobicContact CB-CE2 3.74Å; L327-Y459 HydrophobicContact CD1-CE2 4.2Å; N328-Y459 HydrophobicContact CB-CD1 4.48Å; N328-Y459 WeakPolarHBondContact ND2-CD1 3.36Å; N328-Y459 WeakPolarHBondContact ND2-CE1 3.09Å; N328-Y459 WeakPolarHBondContact OD1-CD1 3.45Å; E445-Y459 HydrophobicContact CB-CE2 4.24Å; E445-Y459 HydrophobicContact CG-CE2 4.48Å; E445-Y459 PolarHBondContact OE2-OH 3.37Å; R449-Y459 HydrophobicContact CG-CD2 4.29Å; Y459-L461 WeakPolarHBondContact OH-CD2 3.33Å
460	Q	97.7	Very high	95	Very high	76 Å²	76	64.8 Å²	64.8	36%	0.355	37%	0.371	S	S	.	.			trans	-140.5	151.8	176.2	-68.9	-62	-17	0	0	109.9	W444 D458 Y464	W444-Q460 HydrophobicContact CH2-CB 4.26Å; D458-Q460 PolarHBondContact O-N 3.12Å; Q460-Y464 HydrophobicContact CB-CD1 3.52Å; Q460-Y464 HydrophobicContact CB-CD2 4.1Å; Q460-Y464 HydrophobicContact CB-CE1 3.88Å; Q460-Y464 HydrophobicContact CB-CE2 4.41Å; Q460-Y464 HydrophobicContact CB-CG 3.64Å; Q460-Y464 VanDerWaalsContact CD-CD2 3.47Å; Q460-Y464 HydrophobicContact CG-CD1 3.96Å; Q460-Y464 HydrophobicContact CG-CD2 3.72Å; Q460-Y464 HydrophobicContact CG-CE1 4Å; Q460-Y464 HydrophobicContact CG-CE2 3.76Å; Q460-Y464 HydrophobicContact CG-CG 3.82Å; Q460-Y464 VanDerWaalsContact OE1-CD2 3.31Å
461	L	97.9	Very high	95	Very high	45 Å²	45	64.9 Å²	64.9	24%	0.236	37%	0.372	C	S	.	.			trans	-76	152.7	170.1	-76	169	0	0	0	110.6	F324 Y413 Y459 Y463 Y464	F324-L461 HydrophobicContact CD2-CD2 4.09Å; F324-L461 HydrophobicContact CE2-CD2 4Å; F324-L461 HydrophobicContact CE2-CG 4.32Å; Y413-L461 WeakPolarHBondContact OH-CD2 2.98Å; Y459-L461 WeakPolarHBondContact OH-CD2 3.33Å; L461-Y463 PolarHBondContact O-N 3.14Å; L461-Y464 WeakPolarHBondContact O-CB 3.41Å; L461-Y464 WeakPolarHBondContact O-CD1 3.47Å; L461-Y464 PolarHBondContact O-N 2.79Å; L461-Y464 VanDerWaalsContact O-N 3.08Å
462	P	98.4	Very high	95.1	Very high	0 Å²	0	65.1 Å²	65.1	0%	0	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	134.4	172.6	-23.6	33.7	0	0	0	110.7	R412 Y413 L441 W444 E445 Y464 P487	R412-P462 WeakPolarHBondContact CD-O 3.3Å; R412-P462 WeakPolarHBondContact CG-O 3Å; R412-P462 PolarHBondContact NH1-O 3.13Å; Y413-P462 HydrophobicContact CE1-CG 3.95Å; Y413-P462 WeakPolarHBondContact OH-CD 3.31Å; L441-P462 HydrophobicContact CB-CB 4.1Å; L441-P462 HydrophobicContact CB-CG 3.85Å; L441-P462 HydrophobicContact CD1-CB 4.48Å; L441-P462 HydrophobicContact CD2-CB 4.18Å; L441-P462 HydrophobicContact CG-CB 4.49Å; W444-P462 HydrophobicContact CE3-CB 4.49Å; W444-P462 HydrophobicContact CE3-CG 4.29Å; E445-P462 HydrophobicContact CG-CG 3.82Å; P462-Y464 VanDerWaalsContact C-N 3.32Å; P462-Y464 PolarHBondContact O-N 3.18Å; P462-P487 HydrophobicContact CB-CG 4.06Å
463	Y	98.5	Very high	95.2	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	65.4	20.7	-175.7	-45.9	-82.1	0	0	0	115.8	R412 Y437 L441 L461 D465 L466 V467 M476 V479 V480 R486 P487	R412-Y463 HydrophobicContact CG-CD2 4.45Å; R412-Y463 PolarHBondContact NH1-O 2.87Å; Y437-Y463 PolarHBondContact OH-OH 2.88Å; L441-Y463 HydrophobicContact CD1-CE2 3.98Å; L441-Y463 HydrophobicContact CD2-CE2 3.8Å; L461-Y463 PolarHBondContact O-N 3.14Å; Y463-D465 PolarHBondContact O-N 3.01Å; Y463-L466 HydrophobicContact CD1-CD1 4.08Å; Y463-L466 PolarHBondContact O-N 2.83Å; Y463-L466 VanDerWaalsContact O-N 3.1Å; Y463-V467 WeakPolarHBondContact O-CG2 3.43Å; Y463-V467 PolarHBondContact O-N 2.88Å; Y463-M476 HydrophobicContact CD2-CE 3.87Å; Y463-M476 HydrophobicContact CE2-CE 4.05Å; Y463-M476 HydrophobicContact CG-CE 4.4Å; Y463-V479 HydrophobicContact CD1-CG1 3.97Å; Y463-V479 HydrophobicContact CE1-CG1 4.3Å; Y463-V480 HydrophobicContact CE1-CG2 3.98Å; Y463-V480 HydrophobicContact CE2-CG2 4.26Å; Y463-R486 WeakPolarHBondContact OH-CD 3.49Å; Y463-P487 HydrophobicContact CE1-CG 4.28Å; Y463-P487 HydrophobicContact CE2-CG 4.36Å
464	Y	97.8	Very high	95.6	Very high	116 Å²	116	65.1 Å²	65.1	46%	0.455	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-28.7	175.9	76.3	-74.6	0	0	0	114	W444 Q460 L461 P462	W444-Y464 HydrophobicContact CH2-CD1 4.06Å; W444-Y464 AromaticContact CH2-CE1 3.97Å; W444-Y464 HydrophobicContact CH2-CE1 3.97Å; W444-Y464 HydrophobicContact CZ2-CE1 4.45Å; Q460-Y464 HydrophobicContact CB-CD1 3.52Å; Q460-Y464 HydrophobicContact CB-CD2 4.1Å; Q460-Y464 HydrophobicContact CB-CE1 3.88Å; Q460-Y464 HydrophobicContact CB-CE2 4.41Å; Q460-Y464 HydrophobicContact CB-CG 3.64Å; Q460-Y464 VanDerWaalsContact CD-CD2 3.47Å; Q460-Y464 HydrophobicContact CG-CD1 3.96Å; Q460-Y464 HydrophobicContact CG-CD2 3.72Å; Q460-Y464 HydrophobicContact CG-CE1 4Å; Q460-Y464 HydrophobicContact CG-CE2 3.76Å; Q460-Y464 HydrophobicContact CG-CG 3.82Å; Q460-Y464 VanDerWaalsContact OE1-CD2 3.31Å; L461-Y464 WeakPolarHBondContact O-CB 3.41Å; L461-Y464 WeakPolarHBondContact O-CD1 3.47Å; L461-Y464 PolarHBondContact O-N 2.79Å; L461-Y464 VanDerWaalsContact O-N 3.08Å; P462-Y464 VanDerWaalsContact C-N 3.32Å; P462-Y464 PolarHBondContact O-N 3.18Å
465	D	97.4	Very high	95.9	Very high	82 Å²	82	65.6 Å²	65.6	44%	0.439	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-8.4	-178.5	57.5	-31.4	0	0	0	113.5	Y463	Y463-D465 PolarHBondContact O-N 3.01Å
466	L	97.8	Very high	96.3	Very high	66 Å²	66	60.4 Å²	60.4	35%	0.346	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-21.6	-170.7	-65.7	170.7	0	0	0	114.1	Y463 V479 L485	Y463-L466 HydrophobicContact CD1-CD1 4.08Å; Y463-L466 PolarHBondContact O-N 2.83Å; Y463-L466 VanDerWaalsContact O-N 3.1Å; L466-V479 HydrophobicContact CB-CG1 4.05Å; L466-V479 HydrophobicContact CB-CG2 4.39Å; L466-V479 HydrophobicContact CD1-CG1 3.94Å; L466-L485 HydrophobicContact CD1-CB 4.04Å; L466-L485 HydrophobicContact CD1-CD1 4Å; L466-L485 HydrophobicContact CD2-CD1 3.88Å
467	V	97.7	Very high	96.7	Very high	18 Å²	18	60.2 Å²	60.2	11%	0.109	31%	0.308	C	S	.	.	S	Bend	trans	-143.4	158.9	179.7	-56.5	0	0	0	0	112.7	Y463 P471 E475 M476 V479	Y463-V467 WeakPolarHBondContact O-CG2 3.43Å; Y463-V467 PolarHBondContact O-N 2.88Å; V467-P471 HydrophobicContact CB-CB 3.88Å; V467-P471 HydrophobicContact CG2-CB 3.79Å; V467-P471 HydrophobicContact CG2-CG 3.97Å; V467-E475 HydrophobicContact CG1-CB 4.49Å; V467-M476 HydrophobicContact CG1-SD 4.1Å; V467-M476 HydrophobicContact CG2-SD 3.86Å; V467-V479 HydrophobicContact CG1-CB 4.38Å; V467-V479 HydrophobicContact CG1-CG2 3.73Å
468	Q	94.4	Very high	97	Very high	135 Å²	135	64 Å²	64	63%	0.631	32%	0.324	S	S	*	.			trans	-62.1	168.5	176.5	-54.8	-169.5	19.1	0	0	113.1	R412 D470 P471	R412-Q468 PolarHBondContact NH2-O 2.85Å; Q468-D470 PolarHBondContact O-N 3.27Å; Q468-P471 WeakPolarHBondContact O-CD 3.28Å
469	S	92.1	Very high	97.1	Very high	111 Å²	111	58.4 Å²	58.4	78%	0.776	30%	0.295	S	S	*	.	S	Bend	trans	-60.7	-45.4	-173.8	-52.1	0	0	0	0	114.6	R412 P471	R412-S469 PolarHBondContact NH2-O 3.4Å; S469-P471 WeakPolarHBondContact O-CD 3.43Å
470	D	94.1	Very high	97.2	Very high	122 Å²	122	57.3 Å²	57.3	65%	0.652	29%	0.29	S	S	*	.	S	Bend	trans	-112.1	87.4	165.4	179.4	32	0	0	0	109.2	K411 Q468	K411-D470 IonicContact NZ-OD1 2.75Å; K411-D470 PolarHBondContact NZ-OD1 3.15Å; K411-D470 IonicContact NZ-OD2 3.08Å; K411-D470 PolarHBondContact NZ-OD2 3.17Å; K411-D470 VanDerWaalsContact NZ-OD2 3.08Å; Q468-D470 PolarHBondContact O-N 3.27Å
471	P	97.1	Very high	97.2	Very high	3 Å²	3	54.8 Å²	54.8	2%	0.019	28%	0.281	C	S	.	.			trans	-71	160.1	-173	31.5	-36.2	0	0	0	111.5	K411 R412 V467 Q468 S469 E475 M476	K411-P471 WeakPolarHBondContact CD-O 3.35Å; K411-P471 WeakPolarHBondContact CE-O 3.27Å; K411-P471 PolarHBondContact NZ-O 2.79Å; R412-P471 HydrophobicContact CB-CG 4.36Å; V467-P471 HydrophobicContact CB-CB 3.88Å; V467-P471 HydrophobicContact CG2-CB 3.79Å; V467-P471 HydrophobicContact CG2-CG 3.97Å; Q468-P471 WeakPolarHBondContact O-CD 3.28Å; S469-P471 WeakPolarHBondContact O-CD 3.43Å; P471-E475 WeakPolarHBondContact CA-OE2 3.48Å; P471-E475 HydrophobicContact CB-CB 4.41Å; P471-M476 HydrophobicContact CB-CG 3.97Å; P471-M476 HydrophobicContact CB-SD 4.04Å; P471-M476 HydrophobicContact CG-CG 3.75Å; P471-M476 HydrophobicContact CG-SD 3.67Å
472	S	97.3	Very high	97.2	Very high	39 Å²	39	58.7 Å²	58.7	27%	0.273	30%	0.298	S	S	.	.			trans	-76.5	168	167.9	106.2	0	0	0	0	111.4	E474 E475 M476	S472-E474 VanDerWaalsContact C-N 3.27Å; S472-E474 WeakPolarHBondContact CB-OE2 3.35Å; S472-E474 WeakPolarHBondContact OG-CB 3.04Å; S472-E474 PolarHBondContact OG-N 2.8Å; S472-E474 PolarHBondContact OG-OE2 3.26Å; S472-E475 PolarHBondContact N-OE2 3.01Å; S472-E475 PolarHBondContact OG-N 3.24Å; S472-E475 VanDerWaalsContact OG-N 3.1Å; S472-M476 WeakPolarHBondContact O-CG 3.36Å; S472-M476 PolarHBondContact O-N 2.79Å
473	V	96.4	Very high	97.2	Very high	22 Å²	22	63.4 Å²	63.4	13%	0.133	32%	0.32	C	S	.	.	H	α-helix	trans	-67.2	-36.5	173.3	176.3	0	0	0	0	110.2	K411 L419 M476 K477	K411-V473 HydrophobicContact CD-CG2 4.45Å; K411-V473 HydrophobicContact CG-CG2 4.15Å; L419-V473 HydrophobicContact CD2-CG1 4.05Å; V473-M476 PolarHBondContact O-N 3.03Å; V473-K477 VanDerWaalsContact O-CB 3.25Å; V473-K477 WeakPolarHBondContact O-CB 3.2Å; V473-K477 PolarHBondContact O-N 3.18Å
474	E	97.2	Very high	97.2	Very high	118 Å²	118	70.6 Å²	70.6	55%	0.551	35%	0.351	S	S	*	.	H	α-helix	trans	-68.1	-41.9	179.9	-57.1	64.9	-141.8	0	0	111.1	S472 K477 K478	S472-E474 VanDerWaalsContact C-N 3.27Å; S472-E474 WeakPolarHBondContact CB-OE2 3.35Å; S472-E474 WeakPolarHBondContact OG-CB 3.04Å; S472-E474 PolarHBondContact OG-N 2.8Å; S472-E474 PolarHBondContact OG-OE2 3.26Å; E474-K477 PolarHBondContact O-N 3.2Å; E474-K478 WeakPolarHBondContact O-CB 3.46Å; E474-K478 PolarHBondContact O-N 3.09Å
475	E	97.6	Very high	97.2	Very high	62 Å²	62	68.3 Å²	68.3	29%	0.29	35%	0.347	S	S	.	.	H	α-helix	trans	-60.3	-47.9	171.9	-69.3	-176.5	129.9	0	0	111.5	V467 P471 S472 K478 V479	V467-E475 HydrophobicContact CG1-CB 4.49Å; P471-E475 WeakPolarHBondContact CA-OE2 3.48Å; P471-E475 HydrophobicContact CB-CB 4.41Å; S472-E475 PolarHBondContact N-OE2 3.01Å; S472-E475 PolarHBondContact OG-N 3.24Å; S472-E475 VanDerWaalsContact OG-N 3.1Å; E475-K478 PolarHBondContact O-N 3.31Å; E475-V479 PolarHBondContact O-N 2.69Å; E475-V479 VanDerWaalsContact O-N 3.14Å
476	M	98.4	Very high	97.3	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	33%	0.333	C	S	.	.	H	α-helix	trans	-62.9	-43.4	176.8	-72.4	-57.1	-51.2	0	0	111.9	K411 R412 L419 Y463 V467 P471 S472 V473 K478 V479 V480	K411-M476 HydrophobicContact CB-CG 4.39Å; R412-M476 WeakPolarHBondContact O-CE 3.47Å; L419-M476 HydrophobicContact CD1-CB 3.95Å; L419-M476 HydrophobicContact CD2-CB 3.6Å; L419-M476 HydrophobicContact CG-CB 4.45Å; Y463-M476 HydrophobicContact CD2-CE 3.87Å; Y463-M476 HydrophobicContact CE2-CE 4.05Å; Y463-M476 HydrophobicContact CG-CE 4.4Å; V467-M476 HydrophobicContact CG1-SD 4.1Å; V467-M476 HydrophobicContact CG2-SD 3.86Å; P471-M476 HydrophobicContact CB-CG 3.97Å; P471-M476 HydrophobicContact CB-SD 4.04Å; P471-M476 HydrophobicContact CG-CG 3.75Å; P471-M476 HydrophobicContact CG-SD 3.67Å; S472-M476 WeakPolarHBondContact O-CG 3.36Å; S472-M476 PolarHBondContact O-N 2.79Å; V473-M476 PolarHBondContact O-N 3.03Å; M476-K478 PolarHBondContact O-N 2.69Å; M476-V479 PolarHBondContact O-N 3.08Å; M476-V480 HydrophobicContact CE-CG2 3.68Å; M476-V480 VanDerWaalsContact O-CB 3.22Å; M476-V480 WeakPolarHBondContact O-CB 3.33Å; M476-V480 WeakPolarHBondContact O-CG2 3.49Å; M476-V480 PolarHBondContact O-N 3.49Å
477	K	98.2	Very high	97.3	Very high	68 Å²	68	63.4 Å²	63.4	30%	0.296	32%	0.318	S	S	.	.	H	α-helix	trans	-60	-44	177.2	-176.5	178.8	-176.4	164.9	0	111.6	L419 V473 E474 C481 E482	L419-K477 HydrophobicContact CB-CB 4.29Å; V473-K477 VanDerWaalsContact O-CB 3.25Å; V473-K477 WeakPolarHBondContact O-CB 3.2Å; V473-K477 PolarHBondContact O-N 3.18Å; E474-K477 PolarHBondContact O-N 3.2Å; K477-C481 HydrophobicContact CG-CB 4.22Å; K477-C481 WeakPolarHBondContact O-CA 3.48Å; K477-C481 VanDerWaalsContact O-CB 3.22Å; K477-C481 WeakPolarHBondContact O-CB 3.43Å; K477-C481 PolarHBondContact O-N 2.02Å; K477-E482 PolarHBondContact O-N 3.05Å
478	K	98.4	Very high	97.3	Very high	111 Å²	111	67.6 Å²	67.6	48%	0.483	34%	0.339	S	S	.	.	I	π-helix	trans	-58.3	-49	175.6	-178.3	177.8	179.9	-177.8	0	111.9	E474 E475 M476 E482 Q483	E474-K478 WeakPolarHBondContact O-CB 3.46Å; E474-K478 PolarHBondContact O-N 3.09Å; E475-K478 PolarHBondContact O-N 3.31Å; M476-K478 PolarHBondContact O-N 2.69Å; K478-E482 WeakPolarHBondContact O-CB 3.23Å; K478-Q483 WeakPolarHBondContact O-CB 3.37Å; K478-Q483 WeakPolarHBondContact O-CG 3.48Å; K478-Q483 PolarHBondContact O-N 3.31Å
479	V	98.6	Very high	97.4	Very high	8 Å²	8	62.4 Å²	62.4	5%	0.048	32%	0.316	C	S	.	.	I	π-helix	trans	-70.6	-46.7	-179.1	173.5	0	0	0	0	112.1	Y463 L466 V467 E475 M476 K484 L485	Y463-V479 HydrophobicContact CD1-CG1 3.97Å; Y463-V479 HydrophobicContact CE1-CG1 4.3Å; L466-V479 HydrophobicContact CB-CG1 4.05Å; L466-V479 HydrophobicContact CB-CG2 4.39Å; L466-V479 HydrophobicContact CD1-CG1 3.94Å; V467-V479 HydrophobicContact CG1-CB 4.38Å; V467-V479 HydrophobicContact CG1-CG2 3.73Å; E475-V479 PolarHBondContact O-N 2.69Å; E475-V479 VanDerWaalsContact O-N 3.14Å; M476-V479 PolarHBondContact O-N 3.08Å; V479-K484 PolarHBondContact O-N 2.85Å; V479-L485 HydrophobicContact CG1-CB 3.98Å; V479-L485 HydrophobicContact CG1-CD1 4.41Å; V479-L485 PolarHBondContact O-N 3.24Å
480	V	98.5	Very high	97.6	Very high	1 Å²	1	58.1 Å²	58.1	1%	0.006	29%	0.286	C	S	.	.	I	π-helix	trans	-87.6	-35	-168	172	0	0	0	0	113.6	P416 L419 Y437 Y463 M476 K484 R486	P416-V480 HydrophobicContact CB-CG1 4.25Å; P416-V480 HydrophobicContact CG-CG1 3.73Å; L419-V480 HydrophobicContact CD1-CB 3.75Å; L419-V480 HydrophobicContact CD1-CG1 3.81Å; L419-V480 HydrophobicContact CD1-CG2 4.16Å; Y437-V480 VanDerWaalsContact OH-CG1 3.3Å; Y437-V480 WeakPolarHBondContact OH-CG1 3.23Å; Y463-V480 HydrophobicContact CE1-CG2 3.98Å; Y463-V480 HydrophobicContact CE2-CG2 4.26Å; M476-V480 HydrophobicContact CE-CG2 3.68Å; M476-V480 VanDerWaalsContact O-CB 3.22Å; M476-V480 WeakPolarHBondContact O-CB 3.33Å; M476-V480 WeakPolarHBondContact O-CG2 3.49Å; M476-V480 PolarHBondContact O-N 3.49Å; V480-K484 WeakPolarHBondContact O-CA 3.25Å; V480-R486 PolarHBondContact O-NH1 2.86Å
481	C	98.2	Very high	97.6	Very high	24 Å²	24	59.3 Å²	59.3	16%	0.162	29%	0.292	C	S	.	.	I	π-helix	trans	-104	-47.1	-173.7	-51.4	0	0	0	0	112.3	P416 K477 K484	P416-C481 VanDerWaalsContact CA-SG 3.56Å; P416-C481 PolarHBondContact O-SG 3.06Å; K477-C481 HydrophobicContact CG-CB 4.22Å; K477-C481 WeakPolarHBondContact O-CA 3.48Å; K477-C481 VanDerWaalsContact O-CB 3.22Å; K477-C481 WeakPolarHBondContact O-CB 3.43Å; K477-C481 PolarHBondContact O-N 2.02Å; C481-K484 VanDerWaalsContact O-CG 3.28Å; C481-K484 WeakPolarHBondContact O-CG 3.4Å
482	E	97.8	Very high	97.4	Very high	127 Å²	127	64.2 Å²	64.2	59%	0.593	31%	0.31	S	S	*	.	I	π-helix	trans	-79.7	-57.6	-177.1	-57.6	170.9	-170.1	0	0	111.3	K477 K478 K484	K477-E482 PolarHBondContact O-N 3.05Å; K478-E482 WeakPolarHBondContact O-CB 3.23Å; E482-K484 VanDerWaalsContact C-N 3.31Å
483	Q	98.3	Very high	97.3	Very high	98 Å²	98	62.4 Å²	62.4	46%	0.458	30%	0.297	S	S	.	.	S	Bend	trans	-78.5	-16.1	178.3	-61.6	176.8	-13.5	0	0	113	K478 L485	K478-Q483 WeakPolarHBondContact O-CB 3.37Å; K478-Q483 WeakPolarHBondContact O-CG 3.48Å; K478-Q483 PolarHBondContact O-N 3.31Å; Q483-L485 HydrophobicContact CB-CD1 4.15Å; Q483-L485 HydrophobicContact CB-CG 3.9Å; Q483-L485 PolarHBondContact O-N 3.38Å
484	K	98.1	Very high	97.2	Very high	152 Å²	152	65.8 Å²	65.8	66%	0.661	31%	0.312	S	S	*	.			trans	57.6	26.8	177.8	-59.7	174.4	-177.1	171	0	114.2	V479 V480 C481 E482	V479-K484 PolarHBondContact O-N 2.85Å; V480-K484 WeakPolarHBondContact O-CA 3.25Å; C481-K484 VanDerWaalsContact O-CG 3.28Å; C481-K484 WeakPolarHBondContact O-CG 3.4Å; E482-K484 VanDerWaalsContact C-N 3.31Å
485	L	98.4	Very high	97	Very high	67 Å²	67	65.3 Å²	65.3	35%	0.351	32%	0.321	S	S	.	.			trans	-73.6	157.1	179	-60.5	178.6	0	0	0	111.4	L466 V479 Q483	L466-L485 HydrophobicContact CD1-CB 4.04Å; L466-L485 HydrophobicContact CD1-CD1 4Å; L466-L485 HydrophobicContact CD2-CD1 3.88Å; V479-L485 HydrophobicContact CG1-CB 3.98Å; V479-L485 HydrophobicContact CG1-CD1 4.41Å; V479-L485 PolarHBondContact O-N 3.24Å; Q483-L485 HydrophobicContact CB-CD1 4.15Å; Q483-L485 HydrophobicContact CB-CG 3.9Å; Q483-L485 PolarHBondContact O-N 3.38Å
486	R	98.4	Very high	96.9	Very high	42 Å²	42	63.3 Å²	63.3	16%	0.158	31%	0.314	C	S	.	.			trans	-141.5	159.6	178.5	-64.1	-63.3	-176.9	-92.6	3.4	108.4	Y463 V480 N488 W510	Y463-R486 WeakPolarHBondContact OH-CD 3.49Å; V480-R486 PolarHBondContact O-NH1 2.86Å; R486-N488 PolarHBondContact O-N 3.22Å; R486-W510 HydrophobicContact CB-CD2 4.08Å; R486-W510 HydrophobicContact CB-CG 4.5Å; R486-W510 HydrophobicContact CB-CH2 4.39Å; R486-W510 HydrophobicContact CB-CZ2 3.9Å; R486-W510 HydrophobicContact CG-CD2 4.09Å; R486-W510 HydrophobicContact CG-CG 3.97Å; R486-W510 PolarHBondContact NE-O 3.43Å; R486-W510 PolarHBondContact NH2-O 3.49Å
487	P	98.4	Very high	96.8	Very high	3 Å²	3	67.1 Å²	67.1	2%	0.019	33%	0.331	C	S	.	.			trans	-54.5	134.3	175.4	-24.1	35.1	0	0	0	111	L441 W444 P462 Y463 I489 W510	L441-P487 HydrophobicContact CD2-CG 3.72Å; W444-P487 HydrophobicContact CD2-CB 3.65Å; W444-P487 HydrophobicContact CD2-CG 4.44Å; W444-P487 HydrophobicContact CE3-CB 4.28Å; W444-P487 HydrophobicContact CG-CB 3.81Å; W444-P487 HydrophobicContact CZ2-CB 4.08Å; P462-P487 HydrophobicContact CB-CG 4.06Å; Y463-P487 HydrophobicContact CE1-CG 4.28Å; Y463-P487 HydrophobicContact CE2-CG 4.36Å; P487-I489 PolarHBondContact O-N 3.03Å; P487-W510 HydrophobicContact CB-CZ3 4.35Å; P487-W510 HydrophobicContact CG-CZ3 4.18Å; P487-W510 WeakPolarHBondContact O-CH2 2.97Å
488	N	97.1	Very high	96.7	Very high	106 Å²	106	63.9 Å²	63.9	57%	0.567	32%	0.317	S	S	*	.			trans	-60.9	135.3	-177.2	-177.7	28.1	0	0	0	111	W444 R486 P490	W444-N488 PolarHBondContact NE1-O 2.9Å; R486-N488 PolarHBondContact O-N 3.22Å; N488-P490 WeakPolarHBondContact O-CD 3.03Å
489	I	97.3	Very high	96.7	Very high	26 Å²	26	58.9 Å²	58.9	13%	0.133	30%	0.296	C	S	.	.			trans	-100.2	107.1	172.9	-67.7	-179.4	0	0	0	107.5	P487 N491 W493 A503 R507 W510	P487-I489 PolarHBondContact O-N 3.03Å; I489-N491 PolarHBondContact O-N 2.85Å; I489-W493 HydrophobicContact CG1-CZ3 4.31Å; I489-W493 HydrophobicContact CG2-CD2 4.39Å; I489-W493 HydrophobicContact CG2-CE3 3.71Å; I489-W493 HydrophobicContact CG2-CZ3 4.14Å; I489-A503 HydrophobicContact CD1-CB 4.19Å; I489-A503 HydrophobicContact CG2-CB 3.86Å; I489-R507 HydrophobicContact CD1-CG 3.84Å; I489-W510 HydrophobicContact CD1-CH2 3.82Å; I489-W510 HydrophobicContact CD1-CZ2 3.68Å; I489-W510 HydrophobicContact CG1-CH2 3.86Å; I489-W510 HydrophobicContact CG1-CZ2 4.09Å
490	P	95.3	Very high	96.6	Very high	22 Å²	22	63.9 Å²	63.9	14%	0.143	31%	0.314	C	S	.	.			trans	-65.5	136.1	-174.5	-28.9	42.4	0	0	0	112.7	E457 N488 R492 W493	E457-P490 WeakPolarHBondContact OE1-CG 3Å; N488-P490 WeakPolarHBondContact O-CD 3.03Å; P490-R492 HydrophobicContact CB-CG 4.17Å; P490-R492 PolarHBondContact O-N 3.47Å; P490-W493 WeakPolarHBondContact O-CB 3.36Å; P490-W493 PolarHBondContact O-N 3.25Å
491	N	94.3	Very high	96.6	Very high	146 Å²	146	65 Å²	65	78%	0.781	32%	0.321	S	S	*	.	G	3₁₀ helix	trans	-53.4	-31.4	-175.9	-70.2	-24.3	0	0	0	113.6	I489 W493 Q494	I489-N491 PolarHBondContact O-N 2.85Å; N491-W493 PolarHBondContact O-N 3.05Å; N491-Q494 WeakPolarHBondContact O-CB 3.23Å; N491-Q494 WeakPolarHBondContact O-CG 3.27Å; N491-Q494 PolarHBondContact O-N 3.35Å
492	R	92.8	Very high	96.6	Very high	106 Å²	106	63.9 Å²	63.9	40%	0.4	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-58.8	-26.1	176.4	67.4	171.7	177.5	-111	37	113.9	H456 E457 P490 Q494 S495	H456-R492 VanDerWaalsContact C-NH2 3.32Å; H456-R492 PolarHBondContact O-NH2 2.96Å; E457-R492 IonicContact OE1-CZ 3.35Å; E457-R492 IonicContact OE1-NE 3.47Å; E457-R492 PolarHBondContact OE1-NE 2.92Å; E457-R492 IonicContact OE1-NH1 3.95Å; E457-R492 IonicContact OE1-NH2 3.38Å; E457-R492 PolarHBondContact OE1-NH2 3.24Å; E457-R492 IonicContact OE2-CZ 3.3Å; E457-R492 VanDerWaalsContact OE2-CZ 3.3Å; E457-R492 IonicContact OE2-NE 3.91Å; E457-R492 PolarHBondContact OE2-NE 2.79Å; E457-R492 IonicContact OE2-NH2 2.68Å; E457-R492 PolarHBondContact OE2-NH2 3.38Å; P490-R492 HydrophobicContact CB-CG 4.17Å; P490-R492 PolarHBondContact O-N 3.47Å; R492-Q494 PolarHBondContact O-N 3.41Å; R492-S495 PolarHBondContact O-N 3.16Å; R492-S495 PolarHBondContact O-OG 2.85Å
493	W	95.8	Very high	96.7	Very high	2 Å²	2	57.9 Å²	57.9	1%	0.008	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-63.4	-14.6	176.3	-69.1	10.2	0	0	0	112.7	W444 A447 E457 I489 P490 N491 S495 L499 R500 A503 M506	W444-W493 AromaticContact CD1-CH2 3.68Å; W444-W493 HydrophobicContact CG-CH2 4.4Å; A447-W493 HydrophobicContact CB-CE3 4.48Å; A447-W493 HydrophobicContact CB-CH2 3.56Å; A447-W493 HydrophobicContact CB-CZ2 3.87Å; A447-W493 HydrophobicContact CB-CZ3 3.91Å; E457-W493 PolarHBondContact OE1-NE1 3.17Å; I489-W493 HydrophobicContact CG1-CZ3 4.31Å; I489-W493 HydrophobicContact CG2-CD2 4.39Å; I489-W493 HydrophobicContact CG2-CE3 3.71Å; I489-W493 HydrophobicContact CG2-CZ3 4.14Å; P490-W493 WeakPolarHBondContact O-CB 3.36Å; P490-W493 PolarHBondContact O-N 3.25Å; N491-W493 PolarHBondContact O-N 3.05Å; W493-S495 VanDerWaalsContact C-N 3.3Å; W493-L499 HydrophobicContact CB-CB 3.9Å; W493-L499 HydrophobicContact CD2-CD2 4.09Å; W493-L499 HydrophobicContact CG-CB 4.14Å; W493-L499 HydrophobicContact CG-CD1 4.29Å; W493-L499 HydrophobicContact CG-CD2 4.16Å; W493-L499 HydrophobicContact CG-CG 4.45Å; W493-R500 PolarHBondContact O-N 3.03Å; W493-A503 HydrophobicContact CE3-CB 4.21Å; W493-M506 HydrophobicContact CE3-CE 4.29Å; W493-M506 HydrophobicContact CH2-CE 4Å; W493-M506 HydrophobicContact CH2-SD 4.27Å; W493-M506 HydrophobicContact CZ3-CE 3.43Å; W493-M506 VanDerWaalsContact CZ3-CE 3.43Å; W493-M506 HydrophobicContact CZ3-SD 3.74Å
494	Q	95.1	Very high	96.7	Very high	93 Å²	93	59 Å²	59	44%	0.435	29%	0.289	S	S	.	.	G	3₁₀ helix	trans	-73.4	-17.3	172.2	-57.7	-49.3	-64.6	0	0	113.7	N491 R492 C496	N491-Q494 WeakPolarHBondContact O-CB 3.23Å; N491-Q494 WeakPolarHBondContact O-CG 3.27Å; N491-Q494 PolarHBondContact O-N 3.35Å; R492-Q494 PolarHBondContact O-N 3.41Å; Q494-C496 VanDerWaalsContact C-N 3.33Å
495	S	92.9	Very high	96.7	Very high	108 Å²	108	52.1 Å²	52.1	76%	0.755	26%	0.259	S	S	*	.	G	3₁₀ helix	trans	-87.5	3.2	-179.8	74.5	0	0	0	0	114.3	R492 W493	R492-S495 PolarHBondContact O-N 3.16Å; R492-S495 PolarHBondContact O-OG 2.85Å; W493-S495 VanDerWaalsContact C-N 3.3Å
496	C	95	Very high	96.7	Very high	19 Å²	19	48.9 Å²	48.9	13%	0.128	24%	0.242	C	C	.	.	S	Bend	trans	-133.4	127.7	177.9	169.8	0	0	0	0	109	Q494 A498 L499 R500	Q494-C496 VanDerWaalsContact C-N 3.33Å; C496-A498 PolarHBondContact O-N 2.61Å; C496-L499 HydrophobicContact CB-CB 4.09Å; C496-L499 HydrophobicContact CB-CD1 4.04Å; C496-L499 HydrophobicContact CB-CG 4.39Å; C496-L499 PolarHBondContact O-N 3.43Å; C496-R500 WeakPolarHBondContact O-CB 3.29Å; C496-R500 PolarHBondContact O-N 3.03Å
497	E	95.5	Very high	96.7	Very high	80 Å²	80	52 Å²	52	37%	0.374	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-47.8	-173.8	-175.5	56.3	-153.8	0	0	112.5	L499 R500 V501	E497-L499 VanDerWaalsContact C-N 3.34Å; E497-L499 PolarHBondContact O-N 3.25Å; E497-R500 WeakPolarHBondContact O-CB 3.16Å; E497-R500 PolarHBondContact O-N 3.27Å; E497-R500 VanDerWaalsContact O-N 3.12Å; E497-R500 IonicContact OE1-CZ 3.63Å; E497-R500 IonicContact OE1-NE 3.12Å; E497-R500 IonicContact OE1-NH2 3.41Å; E497-R500 PolarHBondContact OE1-NH2 3.06Å; E497-R500 IonicContact OE2-CZ 2.69Å; E497-R500 IonicContact OE2-NE 3.35Å; E497-R500 PolarHBondContact OE2-NE 2.82Å; E497-R500 IonicContact OE2-NH2 2.73Å; E497-R500 PolarHBondContact OE2-NH2 2.93Å; E497-V501 WeakPolarHBondContact O-CG2 3.32Å; E497-V501 PolarHBondContact O-N 3.18Å
498	A	96.9	Very high	96.7	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-58.4	-43.9	177.8	0	0	0	0	0	112.4	V334 M337 I338 C496 V501 M502 L530	V334-A498 HydrophobicContact CG1-CB 3.45Å; V334-A498 VanDerWaalsContact CG1-CB 3.45Å; M337-A498 HydrophobicContact CE-CB 3.67Å; I338-A498 HydrophobicContact CD1-CB 4.17Å; C496-A498 PolarHBondContact O-N 2.61Å; A498-V501 PolarHBondContact O-N 2.96Å; A498-M502 WeakPolarHBondContact O-CB 3.49Å; A498-M502 VanDerWaalsContact O-CG 3.26Å; A498-M502 WeakPolarHBondContact O-CG 3.34Å; A498-M502 PolarHBondContact O-N 3.3Å; A498-L530 HydrophobicContact CB-CD1 4.23Å; A498-L530 HydrophobicContact CB-CD2 4.05Å
499	L	97.6	Very high	96.8	Very high	7 Å²	7	48.5 Å²	48.5	4%	0.037	23%	0.234	C	C	.	.	H	α-helix	trans	-67.6	-34.3	176.2	-77.7	170.2	0	0	0	112.5	M337 A447 C450 V452 W493 C496 E497 M502 A503	M337-L499 HydrophobicContact CE-CD2 4.17Å; M337-L499 HydrophobicContact CE-CG 4.25Å; M337-L499 HydrophobicContact SD-CD2 3.56Å; M337-L499 VanDerWaalsContact SD-CD2 3.56Å; M337-L499 HydrophobicContact SD-CG 4.28Å; A447-L499 HydrophobicContact CB-CD2 3.9Å; C450-L499 HydrophobicContact CB-CD2 4.02Å; V452-L499 HydrophobicContact CG2-CD1 3.93Å; W493-L499 HydrophobicContact CB-CB 3.9Å; W493-L499 HydrophobicContact CD2-CD2 4.09Å; W493-L499 HydrophobicContact CG-CB 4.14Å; W493-L499 HydrophobicContact CG-CD1 4.29Å; W493-L499 HydrophobicContact CG-CD2 4.16Å; W493-L499 HydrophobicContact CG-CG 4.45Å; C496-L499 HydrophobicContact CB-CB 4.09Å; C496-L499 HydrophobicContact CB-CD1 4.04Å; C496-L499 HydrophobicContact CB-CG 4.39Å; C496-L499 PolarHBondContact O-N 3.43Å; E497-L499 VanDerWaalsContact C-N 3.34Å; E497-L499 PolarHBondContact O-N 3.25Å; L499-M502 PolarHBondContact O-N 3.3Å; L499-A503 VanDerWaalsContact O-CB 3.28Å; L499-A503 WeakPolarHBondContact O-CB 3.36Å; L499-A503 PolarHBondContact O-N 3.12Å
500	R	97.8	Very high	96.8	Very high	113 Å²	113	48.3 Å²	48.3	43%	0.426	23%	0.231	S	C	.	.	H	α-helix	trans	-65.1	-41.1	173.6	-171.8	175.9	73.6	96.2	-4	112	W493 C496 E497 K504	W493-R500 PolarHBondContact O-N 3.03Å; C496-R500 WeakPolarHBondContact O-CB 3.29Å; C496-R500 PolarHBondContact O-N 3.03Å; E497-R500 WeakPolarHBondContact O-CB 3.16Å; E497-R500 PolarHBondContact O-N 3.27Å; E497-R500 VanDerWaalsContact O-N 3.12Å; E497-R500 IonicContact OE1-CZ 3.63Å; E497-R500 IonicContact OE1-NE 3.12Å; E497-R500 IonicContact OE1-NH2 3.41Å; E497-R500 PolarHBondContact OE1-NH2 3.06Å; E497-R500 IonicContact OE2-CZ 2.69Å; E497-R500 IonicContact OE2-NE 3.35Å; E497-R500 PolarHBondContact OE2-NE 2.82Å; E497-R500 IonicContact OE2-NH2 2.73Å; E497-R500 PolarHBondContact OE2-NH2 2.93Å; R500-K504 PolarHBondContact O-N 3.2Å; R500-K504 VanDerWaalsContact O-N 3.12Å
501	V	98.3	Very high	97	Very high	25 Å²	25	52.5 Å²	52.5	15%	0.152	25%	0.245	C	C	.	.	H	α-helix	trans	-65.7	-46.5	173.2	172.5	0	0	0	0	110.7	E497 A498 A503 K504 I505 T526 L530	E497-V501 WeakPolarHBondContact O-CG2 3.32Å; E497-V501 PolarHBondContact O-N 3.18Å; A498-V501 PolarHBondContact O-N 2.96Å; V501-A503 PolarHBondContact O-N 2.75Å; V501-K504 WeakPolarHBondContact O-CB 3.49Å; V501-K504 PolarHBondContact O-N 3.4Å; V501-K504 VanDerWaalsContact O-N 3.12Å; V501-I505 HydrophobicContact CG1-CD1 4.06Å; V501-I505 WeakPolarHBondContact O-CG1 3.43Å; V501-I505 PolarHBondContact O-N 3.07Å; V501-T526 HydrophobicContact CG1-CG2 4.01Å; V501-L530 HydrophobicContact CB-CD2 4.18Å; V501-L530 HydrophobicContact CG1-CD2 4.04Å; V501-L530 HydrophobicContact CG2-CD1 4.48Å
502	M	98.4	Very high	97.2	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-58.6	-46.1	175.5	-72.5	-63.4	-71.7	0	0	111.8	M337 S341 F443 A498 L499 K504 I505 M506 L527	M337-M502 HydrophobicContact CE-CG 3.94Å; M337-M502 HydrophobicContact CG-CE 4.46Å; M337-M502 HydrophobicContact SD-CG 3.88Å; S341-M502 WeakPolarHBondContact OG-CE 3.36Å; F443-M502 HydrophobicContact CB-CE 3.74Å; F443-M502 HydrophobicContact CD1-CE 4.23Å; F443-M502 HydrophobicContact CD2-CE 4.47Å; F443-M502 HydrophobicContact CG-CE 3.91Å; A498-M502 WeakPolarHBondContact O-CB 3.49Å; A498-M502 VanDerWaalsContact O-CG 3.26Å; A498-M502 WeakPolarHBondContact O-CG 3.34Å; A498-M502 PolarHBondContact O-N 3.3Å; L499-M502 PolarHBondContact O-N 3.3Å; M502-K504 VanDerWaalsContact C-N 3.25Å; M502-K504 PolarHBondContact O-N 2.98Å; M502-I505 PolarHBondContact O-N 3.27Å; M502-I505 VanDerWaalsContact O-N 3.12Å; M502-I505 HydrophobicContact SD-CD1 4.47Å; M502-M506 HydrophobicContact CB-CE 3.81Å; M502-M506 HydrophobicContact CE-CE 4.47Å; M502-M506 WeakPolarHBondContact O-CG 3.41Å; M502-M506 PolarHBondContact O-N 3.41Å; M502-L527 HydrophobicContact SD-CD2 3.56Å; M502-L527 VanDerWaalsContact SD-CD2 3.56Å
503	A	98.4	Very high	97.4	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-59.4	-33.8	175.7	0	0	0	0	0	113.1	I489 W493 L499 V501 R507	I489-A503 HydrophobicContact CD1-CB 4.19Å; I489-A503 HydrophobicContact CG2-CB 3.86Å; W493-A503 HydrophobicContact CE3-CB 4.21Å; L499-A503 VanDerWaalsContact O-CB 3.28Å; L499-A503 WeakPolarHBondContact O-CB 3.36Å; L499-A503 PolarHBondContact O-N 3.12Å; V501-A503 PolarHBondContact O-N 2.75Å; A503-R507 WeakPolarHBondContact O-CG 3.27Å; A503-R507 PolarHBondContact O-N 3.39Å; A503-R507 PolarHBondContact O-NE 2.97Å
504	K	98.5	Very high	97.5	Very high	123 Å²	123	48.7 Å²	48.7	54%	0.535	24%	0.243	S	C	.	.	H	α-helix	trans	-69.1	-47.7	172.9	-178.2	177.5	175.5	178.3	0	111	R500 V501 M502 M506 R507 E508	R500-K504 PolarHBondContact O-N 3.2Å; R500-K504 VanDerWaalsContact O-N 3.12Å; V501-K504 WeakPolarHBondContact O-CB 3.49Å; V501-K504 PolarHBondContact O-N 3.4Å; V501-K504 VanDerWaalsContact O-N 3.12Å; M502-K504 VanDerWaalsContact C-N 3.25Å; M502-K504 PolarHBondContact O-N 2.98Å; K504-M506 PolarHBondContact O-N 3Å; K504-R507 PolarHBondContact O-N 3.38Å; K504-E508 WeakPolarHBondContact CE-OE1 3.35Å; K504-E508 WeakPolarHBondContact CG-OE1 3.26Å; K504-E508 PolarHBondContact O-N 3.31Å
505	I	98.7	Very high	97.6	Very high	6 Å²	6	47 Å²	47	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-56.7	-49	177.2	-67.5	169.1	0	0	0	110.7	F443 V501 M502 R507 E508 C509 L518 I523 T526 L527	F443-I505 HydrophobicContact CD2-CG2 3.78Å; F443-I505 HydrophobicContact CE2-CG2 3.76Å; V501-I505 HydrophobicContact CG1-CD1 4.06Å; V501-I505 WeakPolarHBondContact O-CG1 3.43Å; V501-I505 PolarHBondContact O-N 3.07Å; M502-I505 PolarHBondContact O-N 3.27Å; M502-I505 VanDerWaalsContact O-N 3.12Å; M502-I505 HydrophobicContact SD-CD1 4.47Å; I505-R507 PolarHBondContact O-N 3.08Å; I505-E508 CarbonylContact O-C 3.57Å; I505-E508 PolarHBondContact O-N 3.38Å; I505-C509 WeakPolarHBondContact O-CB 3.26Å; I505-C509 PolarHBondContact O-N 3.47Å; I505-C509 PolarHBondContact O-SG 3.17Å; I505-L518 HydrophobicContact CG2-CD1 4.24Å; I505-I523 HydrophobicContact CG2-CD1 4.43Å; I505-I523 HydrophobicContact CG2-CG1 4.18Å; I505-I523 HydrophobicContact CG2-CG2 4.19Å; I505-T526 HydrophobicContact CD1-CG2 4Å; I505-T526 HydrophobicContact CG1-CG2 4.41Å; I505-L527 HydrophobicContact CD1-CD2 3.59Å; I505-L527 HydrophobicContact CD1-CG 3.96Å
506	M	98.6	Very high	97.9	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-56.2	-47.7	178.5	-68.4	174.4	-136.7	0	0	112.4	F443 W444 A447 W493 M502 K504 E508 C509 W510	F443-M506 HydrophobicContact CB-CE 4.42Å; F443-M506 HydrophobicContact CB-CG 4.05Å; F443-M506 WeakPolarHBondContact O-CE 3.37Å; W444-M506 VanDerWaalsContact CA-SD 3.57Å; W444-M506 HydrophobicContact CB-SD 3.7Å; W444-M506 HydrophobicContact CG-SD 4.34Å; A447-M506 HydrophobicContact CB-CE 3.51Å; W493-M506 HydrophobicContact CE3-CE 4.29Å; W493-M506 HydrophobicContact CH2-CE 4Å; W493-M506 HydrophobicContact CH2-SD 4.27Å; W493-M506 HydrophobicContact CZ3-CE 3.43Å; W493-M506 VanDerWaalsContact CZ3-CE 3.43Å; W493-M506 HydrophobicContact CZ3-SD 3.74Å; M502-M506 HydrophobicContact CB-CE 3.81Å; M502-M506 HydrophobicContact CE-CE 4.47Å; M502-M506 WeakPolarHBondContact O-CG 3.41Å; M502-M506 PolarHBondContact O-N 3.41Å; K504-M506 PolarHBondContact O-N 3Å; M506-E508 VanDerWaalsContact C-N 3.31Å; M506-E508 PolarHBondContact O-N 2.9Å; M506-C509 WeakPolarHBondContact O-CB 3.44Å; M506-C509 PolarHBondContact O-N 3.32Å; M506-W510 HydrophobicContact CB-CE3 4.16Å; M506-W510 HydrophobicContact CB-CH2 4.02Å; M506-W510 HydrophobicContact CB-CZ2 4.38Å; M506-W510 HydrophobicContact CB-CZ3 3.89Å; M506-W510 HydrophobicContact CG-CZ3 4.46Å; M506-W510 VanDerWaalsContact O-CG 3.29Å; M506-W510 PolarHBondContact O-N 2.95Å; M506-W510 HydrophobicContact SD-CH2 4.49Å; M506-W510 HydrophobicContact SD-CZ3 4.42Å
507	R	98.6	Very high	98	Very high	108 Å²	108	44.4 Å²	44.4	41%	0.408	23%	0.227	S	C	.	.	H	α-helix	trans	-60.4	-39.6	177.9	-76.2	177.1	-72.3	-159.4	2.9	112.6	I489 A503 K504 I505 C509 W510	I489-R507 HydrophobicContact CD1-CG 3.84Å; A503-R507 WeakPolarHBondContact O-CG 3.27Å; A503-R507 PolarHBondContact O-N 3.39Å; A503-R507 PolarHBondContact O-NE 2.97Å; K504-R507 PolarHBondContact O-N 3.38Å; I505-R507 PolarHBondContact O-N 3.08Å; R507-C509 VanDerWaalsContact C-N 3.32Å; R507-W510 HydrophobicContact CG-CZ2 4.2Å
508	E	98.6	Very high	98.2	Very high	35 Å²	35	41 Å²	41	16%	0.164	21%	0.212	C	C	.	.	H	α-helix	trans	-78.5	-12.5	175.1	-62.3	179	-151	0	0	113.6	K504 I505 M506 Y511 R517 L518 R522	K504-E508 WeakPolarHBondContact CE-OE1 3.35Å; K504-E508 WeakPolarHBondContact CG-OE1 3.26Å; K504-E508 PolarHBondContact O-N 3.31Å; I505-E508 CarbonylContact O-C 3.57Å; I505-E508 PolarHBondContact O-N 3.38Å; M506-E508 VanDerWaalsContact C-N 3.31Å; M506-E508 PolarHBondContact O-N 2.9Å; E508-Y511 HydrophobicContact CB-CE2 4.11Å; E508-Y511 HydrophobicContact CG-CE2 4.15Å; E508-R517 VanDerWaalsContact O-CA 3.3Å; E508-R517 WeakPolarHBondContact O-CA 3.35Å; E508-L518 HydrophobicContact CB-CD1 3.69Å; E508-L518 HydrophobicContact CB-CD2 4.41Å; E508-L518 HydrophobicContact CB-CG 3.69Å; E508-L518 PolarHBondContact O-N 3.38Å; E508-L518 WeakPolarHBondContact OE2-CD2 3.34Å; E508-R522 IonicContact OE2-NH2 2.74Å; E508-R522 PolarHBondContact OE2-NH2 3.26Å
509	C	98.8	Very high	98.3	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-86.2	-38.5	172.6	-68.7	0	0	0	0	112.6	I436 I505 M506 R507 R517 I523	I436-C509 HydrophobicContact CG2-CB 3.98Å; I505-C509 WeakPolarHBondContact O-CB 3.26Å; I505-C509 PolarHBondContact O-N 3.47Å; I505-C509 PolarHBondContact O-SG 3.17Å; M506-C509 WeakPolarHBondContact O-CB 3.44Å; M506-C509 PolarHBondContact O-N 3.32Å; R507-C509 VanDerWaalsContact C-N 3.32Å; C509-R517 WeakPolarHBondContact O-CD 3.34Å; C509-R517 VanDerWaalsContact O-CG 3.27Å; C509-R517 WeakPolarHBondContact O-CG 3.43Å; C509-R517 PolarHBondContact O-NE 3.03Å; C509-I523 WeakPolarHBondContact SG-CD1 3.34Å
510	W	97.9	Very high	98.3	Very high	22 Å²	22	44.5 Å²	44.5	8%	0.083	23%	0.234	C	C	.	.	S	Bend	trans	-98.3	18	-170.2	65.3	36.2	0	0	0	115.8	Y437 L441 W444 R486 P487 I489 M506 R507	Y437-W510 HydrophobicContact CD2-CB 3.88Å; Y437-W510 HydrophobicContact CE2-CB 3.91Å; L441-W510 HydrophobicContact CD2-CE3 4.16Å; W444-W510 HydrophobicContact CB-CZ3 4.42Å; R486-W510 HydrophobicContact CB-CD2 4.08Å; R486-W510 HydrophobicContact CB-CG 4.5Å; R486-W510 HydrophobicContact CB-CH2 4.39Å; R486-W510 HydrophobicContact CB-CZ2 3.9Å; R486-W510 HydrophobicContact CG-CD2 4.09Å; R486-W510 HydrophobicContact CG-CG 3.97Å; R486-W510 PolarHBondContact NE-O 3.43Å; R486-W510 PolarHBondContact NH2-O 3.49Å; P487-W510 HydrophobicContact CB-CZ3 4.35Å; P487-W510 HydrophobicContact CG-CZ3 4.18Å; P487-W510 WeakPolarHBondContact O-CH2 2.97Å; I489-W510 HydrophobicContact CD1-CH2 3.82Å; I489-W510 HydrophobicContact CD1-CZ2 3.68Å; I489-W510 HydrophobicContact CG1-CH2 3.86Å; I489-W510 HydrophobicContact CG1-CZ2 4.09Å; M506-W510 HydrophobicContact CB-CE3 4.16Å; M506-W510 HydrophobicContact CB-CH2 4.02Å; M506-W510 HydrophobicContact CB-CZ2 4.38Å; M506-W510 HydrophobicContact CB-CZ3 3.89Å; M506-W510 HydrophobicContact CG-CZ3 4.46Å; M506-W510 VanDerWaalsContact O-CG 3.29Å; M506-W510 PolarHBondContact O-N 2.95Å; M506-W510 HydrophobicContact SD-CH2 4.49Å; M506-W510 HydrophobicContact SD-CZ3 4.42Å; R507-W510 HydrophobicContact CG-CZ2 4.2Å
511	Y	98.4	Very high	98.4	Very high	110 Å²	110	43.3 Å²	43.3	43%	0.431	24%	0.235	S	C	.	.			trans	-51.8	142.6	172.9	-78.4	-53.8	0	0	0	111.8	E508 A516 R517	E508-Y511 HydrophobicContact CB-CE2 4.11Å; E508-Y511 HydrophobicContact CG-CE2 4.15Å; Y511-A516 HydrophobicContact CD2-CB 4Å; Y511-A516 WeakPolarHBondContact CD2-O 3.4Å; Y511-A516 HydrophobicContact CG-CB 4.29Å; Y511-R517 PolarHBondContact O-NE 2.91Å; Y511-R517 PolarHBondContact O-NH2 3.41Å
512	A	97.7	Very high	98.4	Very high	59 Å²	59	48.7 Å²	48.7	49%	0.488	25%	0.253	S	S	.	.	S	Bend	trans	-60.5	-50.2	176.2	0	0	0	0	0	111.4	G514 R517	A512-G514 PolarHBondContact O-N 3.47Å; A512-R517 PolarHBondContact O-NH2 3.43Å; A512-R517 VanDerWaalsContact O-NH2 3.13Å
513	N	97.8	Very high	98.4	Very high	106 Å²	106	48.7 Å²	48.7	57%	0.567	25%	0.253	S	S	*	.	S	Bend	trans	-71.5	111.2	171.6	-179.5	-1.7	0	0	0	110.5	A515 A516	N513-A515 PolarHBondContact O-N 3.4Å; N513-A515 WeakPolarHBondContact OD1-CB 3.36Å; N513-A515 PolarHBondContact OD1-N 2.82Å; N513-A516 HydrophobicContact CB-CB 4.4Å; N513-A516 PolarHBondContact O-N 2.92Å; N513-A516 VanDerWaalsContact O-N 3.09Å
514	G	97.9	Very high	98.4	Very high	9 Å²	9	52 Å²	52	9%	0.093	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-55.7	-32.8	176.5	0	0	0	0	0	114.3	R433 A512 A516 R517	R433-G514 WeakPolarHBondContact CD-O 3.34Å; R433-G514 VanDerWaalsContact CG-O 3.28Å; R433-G514 WeakPolarHBondContact CG-O 3.42Å; A512-G514 PolarHBondContact O-N 3.47Å; G514-A516 PolarHBondContact O-N 3.28Å; G514-R517 WeakPolarHBondContact O-CB 3.35Å; G514-R517 WeakPolarHBondContact O-CG 3.01Å; G514-R517 PolarHBondContact O-N 3.4Å
515	A	97.6	Very high	98.4	Very high	58 Å²	58	52.2 Å²	52.2	48%	0.479	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-70.9	-17.1	179.8	0	0	0	0	0	113.8	N513	N513-A515 PolarHBondContact O-N 3.4Å; N513-A515 WeakPolarHBondContact OD1-CB 3.36Å; N513-A515 PolarHBondContact OD1-N 2.82Å
516	A	98.1	Very high	98.4	Very high	53 Å²	53	54.1 Å²	54.1	44%	0.438	28%	0.28	S	S	.	.	G	3₁₀ helix	trans	-86.8	-6.8	174.6	0	0	0	0	0	113.1	Y511 N513 G514	Y511-A516 HydrophobicContact CD2-CB 4Å; Y511-A516 WeakPolarHBondContact CD2-O 3.4Å; Y511-A516 HydrophobicContact CG-CB 4.29Å; N513-A516 HydrophobicContact CB-CB 4.4Å; N513-A516 PolarHBondContact O-N 2.92Å; N513-A516 VanDerWaalsContact O-N 3.09Å; G514-A516 PolarHBondContact O-N 3.28Å
517	R	98.7	Very high	98.3	Very high	18 Å²	18	54.1 Å²	54.1	7%	0.068	28%	0.28	C	S	.	.	S	Bend	trans	-73.5	153.8	-177.7	-61.5	177.3	-172.5	143.1	18	111.6	E417 R433 I436 E508 C509 Y511 A512 G514	E417-R517 IonicContact OE1-CZ 2.71Å; E417-R517 IonicContact OE1-NH1 3.52Å; E417-R517 PolarHBondContact OE1-NH1 2.93Å; E417-R517 IonicContact OE1-NH2 3.21Å; E417-R517 PolarHBondContact OE1-NH2 3.35Å; E417-R517 IonicContact OE2-CZ 2.79Å; E417-R517 IonicContact OE2-NH1 3.98Å; E417-R517 PolarHBondContact OE2-NH1 3.49Å; E417-R517 IonicContact OE2-NH2 3.82Å; E417-R517 PolarHBondContact OE2-NH2 2.94Å; R433-R517 VanDerWaalsContact C-NH1 3.34Å; R433-R517 WeakPolarHBondContact O-CD 3.23Å; R433-R517 PolarHBondContact O-NH1 3.28Å; I436-R517 HydrophobicContact CG2-CB 4.15Å; E508-R517 VanDerWaalsContact O-CA 3.3Å; E508-R517 WeakPolarHBondContact O-CA 3.35Å; C509-R517 WeakPolarHBondContact O-CD 3.34Å; C509-R517 VanDerWaalsContact O-CG 3.27Å; C509-R517 WeakPolarHBondContact O-CG 3.43Å; C509-R517 PolarHBondContact O-NE 3.03Å; Y511-R517 PolarHBondContact O-NE 2.91Å; Y511-R517 PolarHBondContact O-NH2 3.41Å; A512-R517 PolarHBondContact O-NH2 3.43Å; A512-R517 VanDerWaalsContact O-NH2 3.13Å; G514-R517 WeakPolarHBondContact O-CB 3.35Å; G514-R517 WeakPolarHBondContact O-CG 3.01Å; G514-R517 PolarHBondContact O-N 3.4Å
518	L	98.4	Very high	98.3	Very high	10 Å²	10	51.1 Å²	51.1	5%	0.052	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-59.5	161.6	169.1	-70.2	174.6	0	0	0	112	I436 I505 E508 R522 I523	I436-L518 WeakPolarHBondContact CG1-O 3.19Å; I436-L518 WeakPolarHBondContact CG2-O 3.41Å; I505-L518 HydrophobicContact CG2-CD1 4.24Å; E508-L518 HydrophobicContact CB-CD1 3.69Å; E508-L518 HydrophobicContact CB-CD2 4.41Å; E508-L518 HydrophobicContact CB-CG 3.69Å; E508-L518 PolarHBondContact O-N 3.38Å; E508-L518 WeakPolarHBondContact OE2-CD2 3.34Å; L518-R522 HydrophobicContact CD2-CB 4.48Å; L518-R522 VanDerWaalsContact CD2-CD 3.48Å; L518-R522 HydrophobicContact CD2-CG 3.91Å; L518-R522 VanDerWaalsContact CD2-NE 3.26Å; L518-I523 HydrophobicContact CB-CD1 3.79Å; L518-I523 HydrophobicContact CB-CG1 3.75Å; L518-I523 HydrophobicContact CD1-CD1 4.21Å; L518-I523 HydrophobicContact CD1-CG1 3.68Å; L518-I523 HydrophobicContact CG-CG1 4.32Å
519	T	98.8	Very high	98.2	Very high	79 Å²	79	54.8 Å²	54.8	49%	0.485	29%	0.293	S	S	.	.	P	Polyproline II helix	trans	-96.9	152.7	164.1	63.8	0	0	0	0	110	L521 R522 I523	T519-L521 PolarHBondContact O-N 3.02Å; T519-R522 PolarHBondContact O-N 3.37Å; T519-R522 WeakPolarHBondContact OG1-CB 3.32Å; T519-R522 PolarHBondContact OG1-N 3.33Å; T519-I523 WeakPolarHBondContact O-CG1 3.39Å; T519-I523 PolarHBondContact O-N 2.96Å
520	A	98.7	Very high	98.1	Very high	1 Å²	1	54.9 Å²	54.9	1%	0.008	29%	0.293	C	S	.	.	H	α-helix	trans	-57.1	-35.9	177.8	0	0	0	0	0	111.9	L348 A349 I436 M439 I523 K524	L348-A520 HydrophobicContact CB-CB 4.13Å; L348-A520 HydrophobicContact CD2-CB 4.16Å; L348-A520 HydrophobicContact CG-CB 4.06Å; A349-A520 HydrophobicContact CB-CB 3.92Å; I436-A520 HydrophobicContact CD1-CB 3.79Å; I436-A520 VanDerWaalsContact CD1-N 3.29Å; M439-A520 HydrophobicContact CE-CB 4.45Å; A520-I523 PolarHBondContact O-N 3.47Å; A520-K524 WeakPolarHBondContact O-CB 3.38Å; A520-K524 PolarHBondContact O-N 2.97Å
521	L	98.4	Very high	98	Very high	87 Å²	87	54 Å²	54	46%	0.455	29%	0.291	S	S	.	.	H	α-helix	trans	-64.4	-39.6	173.9	-179	60.8	0	0	0	113	T519 K525	T519-L521 PolarHBondContact O-N 3.02Å; L521-K525 WeakPolarHBondContact O-CG 3.45Å; L521-K525 PolarHBondContact O-N 2.76Å; L521-K525 VanDerWaalsContact O-N 3.07Å
522	R	98.6	Very high	97.8	Very high	138 Å²	138	55.7 Å²	55.7	52%	0.521	30%	0.302	S	S	.	.	H	α-helix	trans	-67.4	-40.9	176.2	-177.1	168.6	161.7	-162	-15	110.9	E508 L518 T519 K525 T526	E508-R522 IonicContact OE2-NH2 2.74Å; E508-R522 PolarHBondContact OE2-NH2 3.26Å; L518-R522 HydrophobicContact CD2-CB 4.48Å; L518-R522 VanDerWaalsContact CD2-CD 3.48Å; L518-R522 HydrophobicContact CD2-CG 3.91Å; L518-R522 VanDerWaalsContact CD2-NE 3.26Å; T519-R522 PolarHBondContact O-N 3.37Å; T519-R522 WeakPolarHBondContact OG1-CB 3.32Å; T519-R522 PolarHBondContact OG1-N 3.33Å; R522-K525 PolarHBondContact O-N 3.07Å; R522-T526 PolarHBondContact O-N 3.38Å; R522-T526 PolarHBondContact O-OG1 3.37Å
523	I	98.8	Very high	97.5	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.311	C	S	.	.	H	α-helix	trans	-61.2	-49.3	174.8	-66.7	168.1	0	0	0	110.7	A345 I436 M439 F443 I505 C509 L518 T519 A520 K525 T526 L527	A345-I523 HydrophobicContact CB-CB 4.48Å; A345-I523 HydrophobicContact CB-CG2 3.73Å; I436-I523 HydrophobicContact CD1-CD1 4.39Å; I436-I523 HydrophobicContact CG2-CD1 4.18Å; M439-I523 HydrophobicContact CE-CB 4.47Å; M439-I523 HydrophobicContact CE-CD1 3.35Å; M439-I523 HydrophobicContact CE-CG1 4.49Å; M439-I523 HydrophobicContact CE-CG2 4.22Å; F443-I523 HydrophobicContact CE2-CD1 4.5Å; F443-I523 HydrophobicContact CE2-CG2 3.59Å; F443-I523 HydrophobicContact CZ-CG2 3.75Å; I505-I523 HydrophobicContact CG2-CD1 4.43Å; I505-I523 HydrophobicContact CG2-CG1 4.18Å; I505-I523 HydrophobicContact CG2-CG2 4.19Å; C509-I523 WeakPolarHBondContact SG-CD1 3.34Å; L518-I523 HydrophobicContact CB-CD1 3.79Å; L518-I523 HydrophobicContact CB-CG1 3.75Å; L518-I523 HydrophobicContact CD1-CD1 4.21Å; L518-I523 HydrophobicContact CD1-CG1 3.68Å; L518-I523 HydrophobicContact CG-CG1 4.32Å; T519-I523 WeakPolarHBondContact O-CG1 3.39Å; T519-I523 PolarHBondContact O-N 2.96Å; A520-I523 PolarHBondContact O-N 3.47Å; I523-K525 VanDerWaalsContact C-N 3.28Å; I523-K525 PolarHBondContact O-N 3.06Å; I523-T526 PolarHBondContact O-N 3.29Å; I523-L527 HydrophobicContact CG2-CD1 3.77Å; I523-L527 HydrophobicContact CG2-CG 4.32Å; I523-L527 WeakPolarHBondContact O-CG 3.47Å; I523-L527 PolarHBondContact O-N 3.45Å
524	K	98.6	Very high	97.1	Very high	69 Å²	69	58.9 Å²	58.9	30%	0.3	30%	0.304	S	S	.	.	H	α-helix	trans	-52.8	-44.7	174.5	-178.2	-175.6	-176.8	155.1	0	111.6	L342 A345 S346 A349 A520 S528	L342-K524 HydrophobicContact CD1-CG 3.95Å; L342-K524 WeakPolarHBondContact CD1-O 3.17Å; A345-K524 HydrophobicContact CB-CB 4.39Å; S346-K524 WeakPolarHBondContact OG-CE 3.29Å; S346-K524 PolarHBondContact OG-NZ 2.81Å; A349-K524 HydrophobicContact CB-CD 4.41Å; A520-K524 WeakPolarHBondContact O-CB 3.38Å; A520-K524 PolarHBondContact O-N 2.97Å; K524-S528 WeakPolarHBondContact O-CB 3.34Å; K524-S528 PolarHBondContact O-N 3.36Å
525	K	98.3	Very high	96.5	Very high	129 Å²	129	61.4 Å²	61.4	56%	0.561	33%	0.33	S	S	*	.	H	α-helix	trans	-63.5	-47.8	177.5	-74.4	179.1	178.2	-174.3	0	112.2	L521 R522 I523 S528 Q529	L521-K525 WeakPolarHBondContact O-CG 3.45Å; L521-K525 PolarHBondContact O-N 2.76Å; L521-K525 VanDerWaalsContact O-N 3.07Å; R522-K525 PolarHBondContact O-N 3.07Å; I523-K525 VanDerWaalsContact C-N 3.28Å; I523-K525 PolarHBondContact O-N 3.06Å; K525-S528 PolarHBondContact O-N 2.91Å; K525-Q529 WeakPolarHBondContact O-CG 3.36Å; K525-Q529 PolarHBondContact O-N 3.47Å
526	T	98.4	Very high	95.8	Very high	45 Å²	45	59.6 Å²	59.6	28%	0.276	31%	0.312	S	S	.	.	H	α-helix	trans	-62.8	-43.5	178.3	-59.4	0	0	0	0	112.2	V501 I505 R522 I523 Q529 L530	V501-T526 HydrophobicContact CG1-CG2 4.01Å; I505-T526 HydrophobicContact CD1-CG2 4Å; I505-T526 HydrophobicContact CG1-CG2 4.41Å; R522-T526 PolarHBondContact O-N 3.38Å; R522-T526 PolarHBondContact O-OG1 3.37Å; I523-T526 PolarHBondContact O-N 3.29Å; T526-Q529 PolarHBondContact O-N 3.29Å; T526-L530 PolarHBondContact O-N 2.93Å
527	L	98.3	Very high	94.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-69.3	-32.6	177.8	-67.7	176.6	0	0	0	112.7	L342 A345 F443 M502 I505 I523 L530 S531	L342-L527 HydrophobicContact CB-CB 4.02Å; L342-L527 HydrophobicContact CD1-CB 3.87Å; L342-L527 HydrophobicContact CG-CB 4.39Å; A345-L527 HydrophobicContact CB-CD1 4.13Å; F443-L527 HydrophobicContact CZ-CD1 4.14Å; M502-L527 HydrophobicContact SD-CD2 3.56Å; M502-L527 VanDerWaalsContact SD-CD2 3.56Å; I505-L527 HydrophobicContact CD1-CD2 3.59Å; I505-L527 HydrophobicContact CD1-CG 3.96Å; I523-L527 HydrophobicContact CG2-CD1 3.77Å; I523-L527 HydrophobicContact CG2-CG 4.32Å; I523-L527 WeakPolarHBondContact O-CG 3.47Å; I523-L527 PolarHBondContact O-N 3.45Å; L527-L530 PolarHBondContact O-N 3.42Å; L527-S531 WeakPolarHBondContact O-CB 3.3Å; L527-S531 PolarHBondContact O-N 3.35Å
528	S	97.4	Very high	92.8	Very high	45 Å²	45	70.4 Å²	70.4	32%	0.315	35%	0.353	S	S	.	.	H	α-helix	trans	-67.3	-39.3	172.9	-179.7	0	0	0	0	112.1	K524 K525 S531 Q532	K524-S528 WeakPolarHBondContact O-CB 3.34Å; K524-S528 PolarHBondContact O-N 3.36Å; K525-S528 PolarHBondContact O-N 2.91Å; S528-S531 WeakPolarHBondContact O-CB 3.3Å; S528-S531 PolarHBondContact O-N 3.25Å; S528-Q532 WeakPolarHBondContact O-CG 3.31Å; S528-Q532 PolarHBondContact O-N 3.4Å
529	Q	97.1	Very high	92.5	Very high	112 Å²	112	73.4 Å²	73.4	52%	0.523	37%	0.368	S	S	.	.	H	α-helix	trans	-63.5	-44	173	-72.3	170	-26.5	0	0	111.5	K525 T526 Q532 Q533	K525-Q529 WeakPolarHBondContact O-CG 3.36Å; K525-Q529 PolarHBondContact O-N 3.47Å; T526-Q529 PolarHBondContact O-N 3.29Å; Q529-Q532 PolarHBondContact O-N 3.06Å; Q529-Q533 WeakPolarHBondContact O-CG 3.42Å; Q529-Q533 PolarHBondContact O-N 3.36Å
530	L	96.1	Very high	92.2	Very high	2 Å²	2	73.1 Å²	73.1	1%	0.01	36%	0.362	C	S	.	.	H	α-helix	trans	-61.9	-43.8	174.2	-178.3	63.7	0	0	0	111.6	I338 A498 V501 T526 L527 Q532 Q533 E534	I338-L530 HydrophobicContact CD1-CD2 3.88Å; I338-L530 HydrophobicContact CD1-CG 3.77Å; I338-L530 HydrophobicContact CG1-CD2 3.88Å; I338-L530 HydrophobicContact CG1-CG 4.24Å; A498-L530 HydrophobicContact CB-CD1 4.23Å; A498-L530 HydrophobicContact CB-CD2 4.05Å; V501-L530 HydrophobicContact CB-CD2 4.18Å; V501-L530 HydrophobicContact CG1-CD2 4.04Å; V501-L530 HydrophobicContact CG2-CD1 4.48Å; T526-L530 PolarHBondContact O-N 2.93Å; L527-L530 PolarHBondContact O-N 3.42Å; L530-Q532 VanDerWaalsContact C-N 3.26Å; L530-Q532 PolarHBondContact O-N 2.91Å; L530-Q533 PolarHBondContact O-N 2.89Å; L530-Q533 VanDerWaalsContact O-N 3.15Å; L530-E534 HydrophobicContact CD1-CG 4.2Å; L530-E534 WeakPolarHBondContact O-CG 3.4Å; L530-E534 PolarHBondContact O-N 2.9Å
531	S	95.7	Very high	91.8	Very high	5 Å²	5	77.1 Å²	77.1	4%	0.035	38%	0.381	C	S	.	.	H	α-helix	trans	-57.6	-37.5	175.2	-170.1	0	0	0	0	112.8	L527 S528 G535 I536	L527-S531 WeakPolarHBondContact O-CB 3.3Å; L527-S531 PolarHBondContact O-N 3.35Å; S528-S531 WeakPolarHBondContact O-CB 3.3Å; S528-S531 PolarHBondContact O-N 3.25Å; S531-G535 PolarHBondContact O-N 3.43Å; S531-I536 WeakPolarHBondContact O-CB 3.32Å; S531-I536 PolarHBondContact O-N 3.03Å
532	Q	94.3	Very high	91.4	Very high	145 Å²	145	76.5 Å²	76.5	68%	0.678	38%	0.377	S	S	*	.	H	α-helix	trans	-72.3	-38.4	176.5	-71.7	170.5	0.2	0	0	112.3	S528 Q529 L530 G535	S528-Q532 WeakPolarHBondContact O-CG 3.31Å; S528-Q532 PolarHBondContact O-N 3.4Å; Q529-Q532 PolarHBondContact O-N 3.06Å; L530-Q532 VanDerWaalsContact C-N 3.26Å; L530-Q532 PolarHBondContact O-N 2.91Å; Q532-G535 PolarHBondContact O-N 3.26Å
533	Q	91.7	Very high	91	Very high	142 Å²	142	72.7 Å²	72.7	66%	0.664	37%	0.368	S	S	*	.	H	α-helix	trans	-64.9	-40.4	177.4	-72.7	168.1	-12	0	0	112.2	Q529 L530 G535	Q529-Q533 WeakPolarHBondContact O-CG 3.42Å; Q529-Q533 PolarHBondContact O-N 3.36Å; L530-Q533 PolarHBondContact O-N 2.89Å; L530-Q533 VanDerWaalsContact O-N 3.15Å; Q533-G535 PolarHBondContact O-N 3.22Å
534	E	88.4	Confident	90.5	Very high	89 Å²	89	77.5 Å²	77.5	42%	0.416	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	2.9	176.6	-59.9	-68.6	162.7	0	0	113.1	I338 L530 I536	I338-E534 HydrophobicContact CD1-CB 4.37Å; I338-E534 HydrophobicContact CD1-CG 3.81Å; L530-E534 HydrophobicContact CD1-CG 4.2Å; L530-E534 WeakPolarHBondContact O-CG 3.4Å; L530-E534 PolarHBondContact O-N 2.9Å; E534-I536 VanDerWaalsContact C-N 3.26Å; E534-I536 HydrophobicContact CB-CD1 3.64Å; E534-I536 HydrophobicContact CB-CG1 3.89Å; E534-I536 HydrophobicContact CG-CD1 4.43Å; E534-I536 PolarHBondContact O-N 3.34Å
535	G	85.7	Confident	89.9	Confident	63 Å²	63	78.1 Å²	78.1	65%	0.649	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.6	16.8	177.5	0	0	0	0	0	115.4	S531 Q532 Q533	S531-G535 PolarHBondContact O-N 3.43Å; Q532-G535 PolarHBondContact O-N 3.26Å; Q533-G535 PolarHBondContact O-N 3.22Å
536	I	83.1	Confident	89.3	Confident	20 Å²	20	74.2 Å²	74.2	10%	0.103	39%	0.387	C	S	.	.			trans	-76.7	126.2	-171.4	-63.1	162.7	0	0	0	110.8	E335 I338 K339 S531 E534	E335-I536 HydrophobicContact CB-CD1 3.99Å; E335-I536 HydrophobicContact CB-CG1 4.1Å; E335-I536 HydrophobicContact CG-CD1 4.1Å; E335-I536 HydrophobicContact CG-CG1 3.92Å; E335-I536 HydrophobicContact CG-CG2 3.82Å; I338-I536 HydrophobicContact CB-CD1 3.97Å; I338-I536 HydrophobicContact CD1-CD1 3.57Å; I338-I536 HydrophobicContact CG1-CD1 4.38Å; I338-I536 HydrophobicContact CG2-CD1 4.02Å; K339-I536 HydrophobicContact CD-CG2 4.41Å; K339-I536 HydrophobicContact CG-CG2 4.19Å; S531-I536 WeakPolarHBondContact O-CB 3.32Å; S531-I536 PolarHBondContact O-N 3.03Å; E534-I536 VanDerWaalsContact C-N 3.26Å; E534-I536 HydrophobicContact CB-CD1 3.64Å; E534-I536 HydrophobicContact CB-CG1 3.89Å; E534-I536 HydrophobicContact CG-CD1 4.43Å; E534-I536 PolarHBondContact O-N 3.34Å
537	K	71.4	Confident	88.5	Confident	182 Å²	182	76.7 Å²	76.7	79%	0.791	40%	0.396	S	S	*	.			trans	-85.7	121	166.4	-64.7	-176.7	-177.5	178.4	0	109.5	K339	K339-K537 WeakPolarHBondContact CE-O 3.37Å; K339-K537 PolarHBondContact NZ-O 2.88Å
538	M	62.9	Low	87.6	Confident	115 Å²	115	83.6 Å²	83.6	57%	0.567	43%	0.432	S	S	*	.			trans	-76.3	0	175.7	-68.6	-66.3	-68.9	0	0	111.6	K339 L342	K339-M538 HydrophobicContact CG-SD 3.92Å; L342-M538 HydrophobicContact CB-CE 4.15Å; L342-M538 HydrophobicContact CD2-CE 3.7Å; L342-M538 HydrophobicContact CD2-CG 4.28Å; L342-M538 HydrophobicContact CD2-SD 3.77Å; L342-M538 HydrophobicContact CG-CE 3.82Å; L342-M538 HydrophobicContact CG-SD 4.49Å

Retrieved 538 of 538 residues in 201.1 ms (Link to these results)

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