A0A077ZCW0_TRITR Loading...

Guanylate kinase family protein

AlphaFold DB , UniProt , Accession A0A077ZCW0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 555 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	26.2	Very low	28.3	Very low	240 Å²	240	148.2 Å²	148.2	100%	1.182	83%	0.827	S	S	*	*				0	87.9	0	-84.6	-159.9	-82.8	0	0	109
2	L	25.8	Very low	28.6	Very low	152 Å²	152	152.9 Å²	152.9	80%	0.796	84%	0.838	S	S	*	*			trans	-149.5	111.5	163.6	-85.3	171.5	0	0	0	105.3
3	G	23.4	Very low	28.6	Very low	82 Å²	82	149.6 Å²	149.6	85%	0.845	83%	0.833	S	S	*	*			trans	-87.3	123.7	178.3	0	0	0	0	0	109.7
4	L	29.3	Very low	28.9	Very low	100 Å²	100	149.1 Å²	149.1	52%	0.524	84%	0.836	S	S	.	*			trans	-90	125.8	164.5	-74.3	162.7	0	0	0	107.5
5	R	25.1	Very low	29	Very low	228 Å²	228	146.5 Å²	146.5	86%	0.86	83%	0.831	S	S	*	*			trans	-106.4	120.8	177.4	-165.5	175.2	-174.1	177.1	-0.8	107.5
6	C	29.6	Very low	28.9	Very low	105 Å²	105	143.9 Å²	143.9	71%	0.709	83%	0.834	S	S	*	*			trans	-112.9	119.3	174.1	-167.6	0	0	0	0	108.1
7	E	26.8	Very low	28.7	Very low	165 Å²	165	146.2 Å²	146.2	77%	0.771	83%	0.831	S	S	*	*			trans	-93.7	124	170.7	-74.1	178.1	160.2	0	0	108.3
8	R	31.1	Very low	28.5	Very low	224 Å²	224	144.4 Å²	144.4	85%	0.845	83%	0.83	S	S	*	*			trans	-113.6	120.9	166.5	-78.5	-173.6	-165.3	177	4.4	108.3
9	D	33.9	Very low	28.2	Very low	177 Å²	177	149.1 Å²	149.1	95%	0.947	83%	0.833	S	S	*	*			trans	-66.9	126.5	166.5	-82.1	-35.3	0	0	0	110
10	G	28.7	Very low	28	Very low	82 Å²	82	147.2 Å²	147.2	85%	0.845	83%	0.83	S	S	*	*			trans	-97.8	131.9	179.8	0	0	0	0	0	112.2
11	G	31.1	Very low	28	Very low	75 Å²	75	146.7 Å²	146.7	77%	0.773	83%	0.83	S	S	*	*			trans	-136.8	103.4	171.8	0	0	0	0	0	111.3
12	E	32.1	Very low	27.8	Very low	205 Å²	205	145 Å²	145	96%	0.958	82%	0.816	S	S	*	*			trans	57.7	125	151	-69.1	-179.5	149.2	0	0	123.2
13	S	28.9	Very low	28	Very low	110 Å²	110	142.7 Å²	142.7	77%	0.769	82%	0.819	S	S	*	*			trans	-81.8	151.1	175.7	70.9	0	0	0	0	113.5
14	T	33.2	Very low	28.2	Very low	143 Å²	143	147.8 Å²	147.8	88%	0.877	82%	0.82	S	S	*	*			trans	-152.1	123.3	138.4	39	0	0	0	0	113.5
15	S	30.4	Very low	28.1	Very low	109 Å²	109	149.9 Å²	149.9	76%	0.762	84%	0.838	S	S	*	*			trans	58.6	106.3	142.9	-153.2	0	0	0	0	121.9
16	A	26.4	Very low	28.4	Very low	106 Å²	106	145.2 Å²	145.2	88%	0.876	84%	0.835	S	S	*	*			trans	-100.5	130.7	154.8	0	0	0	0	0	110.3
17	K	26.4	Very low	28.3	Very low	182 Å²	182	146.6 Å²	146.6	79%	0.791	84%	0.835	S	S	*	*			trans	-104.7	125.1	168.3	-79.3	179.7	177.1	175.1	0	109.3
18	S	24.2	Very low	28.3	Very low	115 Å²	115	144.7 Å²	144.7	80%	0.804	83%	0.83	S	S	*	*			trans	-81.2	145.9	170.8	60.3	0	0	0	0	111.3
19	W	24.2	Very low	28.3	Very low	233 Å²	233	141.4 Å²	141.4	88%	0.883	83%	0.829	S	S	*	*			trans	-134	125.4	161.2	-77.2	70.6	0	0	0	108.2
20	S	22.9	Very low	28.1	Very low	111 Å²	111	138.4 Å²	138.4	78%	0.776	82%	0.817	S	S	*	*			trans	-112.4	136.2	167.5	103.4	0	0	0	0	107.6
21	T	27.8	Very low	28	Very low	136 Å²	136	140.6 Å²	140.6	83%	0.834	81%	0.814	S	S	*	*			trans	-132.5	119.8	165.3	31.7	0	0	0	0	109.7
22	K	22.4	Very low	27.9	Very low	206 Å²	206	143.3 Å²	143.3	90%	0.896	82%	0.82	S	S	*	*			trans	-75.4	140.8	161.7	-84.2	176.8	169.6	179.1	0	108.4
23	A	29.6	Very low	27.6	Very low	102 Å²	102	145.2 Å²	145.2	84%	0.843	82%	0.818	S	S	*	*			trans	-134.6	126.4	158.5	0	0	0	0	0	108.9
24	E	27.5	Very low	27.8	Very low	189 Å²	189	146.4 Å²	146.4	88%	0.883	82%	0.823	S	S	*	*			trans	-71.1	141.3	179.9	-69.7	160.3	144.4	0	0	111.2
25	T	28	Very low	27.6	Very low	145 Å²	145	143.4 Å²	143.4	89%	0.89	82%	0.821	S	S	*	*			trans	-109.1	122.6	167.1	21.8	0	0	0	0	109.5
26	T	30.7	Very low	27.6	Very low	129 Å²	129	142.7 Å²	142.7	79%	0.791	82%	0.821	S	S	*	*			trans	-118.6	120.9	165.3	35.7	0	0	0	0	109.8
27	N	28.3	Very low	27.7	Very low	134 Å²	134	148 Å²	148	72%	0.717	83%	0.825	S	S	*	*			trans	66.4	129.4	136	-85.6	32	0	0	0	124.6
28	D	26.6	Very low	27.9	Very low	126 Å²	126	147.5 Å²	147.5	67%	0.674	83%	0.829	S	S	*	*			trans	81.7	108.1	134.3	-60.2	-25.7	0	0	0	119
29	L	30.4	Very low	28.3	Very low	155 Å²	155	147 Å²	147	81%	0.812	83%	0.826	S	S	*	*				173.7	113.4	107.5	-89.6	153	0	0	0	112.8
30	T	30.4	Very low	28.6	Very low	114 Å²	114	146.3 Å²	146.3	70%	0.699	83%	0.829	S	S	*	*			trans	53.1	104.4	136	42.6	0	0	0	0	122.3
31	T	26.6	Very low	29	Very low	128 Å²	128	145.5 Å²	145.5	79%	0.785	83%	0.829	S	S	*	*				14.8	124.6	129.4	32.7	0	0	0	0	121
32	C	28.1	Very low	29.3	Very low	132 Å²	132	146.7 Å²	146.7	89%	0.892	83%	0.83	S	S	*	*			trans	-148.4	128.2	136.2	-90.4	0	0	0	0	110.1
33	R	26.2	Very low	29.8	Very low	244 Å²	244	141.1 Å²	141.1	92%	0.921	83%	0.832	S	S	*	*			trans	-78.2	141.1	177.8	-72.3	176.2	169.6	-179.5	-3.6	111
34	P	32.9	Very low	30	Very low	136 Å²	136	139.6 Å²	139.6	88%	0.883	83%	0.825	S	S	*	*			trans	-98.3	105.6	165.1	31	-20.8	0	0	0	110.8
35	G	29.4	Very low	30.6	Very low	80 Å²	80	134.7 Å²	134.7	83%	0.825	82%	0.818	S	S	*	*			trans	-122	90.4	161.2	0	0	0	0	0	108.6
36	A	30.2	Very low	31.4	Very low	93 Å²	93	132.8 Å²	132.8	77%	0.769	80%	0.798	S	S	*	*			trans	-147.5	111.4	168.4	0	0	0	0	0	109.2	L38	A36-L38 PolarHBondContact O-N 2.78Å
37	K	28.1	Very low	32.5	Very low	218 Å²	218	130.2 Å²	130.2	95%	0.948	78%	0.783	S	S	*	*			trans	-68.8	120.6	170.3	-73.5	176.1	174.7	177.4	0	108.5
38	L	32.1	Very low	33.7	Very low	171 Å²	171	125.5 Å²	125.5	90%	0.895	76%	0.756	S	S	*	*			trans	-93.1	115.6	164	-92	150	0	0	0	108.8	A36	A36-L38 PolarHBondContact O-N 2.78Å
39	S	31.8	Very low	35.4	Very low	104 Å²	104	123.7 Å²	123.7	73%	0.727	75%	0.751	S	S	*	*			trans	-64.7	139.8	175.5	48	0	0	0	0	111.8	A41	S39-A41 PolarHBondContact O-N 3.3Å
40	K	29.7	Very low	36.8	Very low	220 Å²	220	119.5 Å²	119.5	96%	0.957	73%	0.732	S	S	*	*			trans	-55.2	117.4	164.4	-77.6	-179.2	173.8	-179.5	0	109.4
41	A	32.8	Very low	37.9	Very low	93 Å²	93	114.7 Å²	114.7	77%	0.769	70%	0.704	S	S	*	*			trans	-122.2	147.5	160.6	0	0	0	0	0	108.1	S39	S39-A41 PolarHBondContact O-N 3.3Å
42	D	34.2	Very low	39.7	Very low	161 Å²	161	111.7 Å²	111.7	86%	0.861	69%	0.685	S	S	*	*			trans	-47	160.1	-169.5	-77.1	-50.2	0	0	0	116.9	G44	D42-G44 PolarHBondContact O-N 3.2Å
43	G	32.5	Very low	41.5	Very low	90 Å²	90	108.3 Å²	108.3	93%	0.928	67%	0.666	S	S	*	*	S	Bend	trans	-44.1	120.1	177.3	0	0	0	0	0	113.4
44	G	34.3	Very low	43.2	Very low	69 Å²	69	104.2 Å²	104.2	71%	0.711	65%	0.651	S	S	*	*			trans	-176.2	141	178.2	0	0	0	0	0	108.6	D42	D42-G44 PolarHBondContact O-N 3.2Å
45	A	39.8	Very low	44.7	Very low	87 Å²	87	101.1 Å²	101.1	72%	0.719	63%	0.627	S	S	*	*			trans	-21.8	134.5	-175.1	0	0	0	0	0	116.8	T47	A45-T47 PolarHBondContact O-N 3.13Å
46	Q	44.8	Very low	46.6	Very low	104 Å²	104	102.6 Å²	102.6	49%	0.486	61%	0.612	S	S	.	*			trans	-57.3	104	170.5	-72.7	-173.7	25.1	0	0	109.4
47	T	54.1	Low	48.3	Very low	76 Å²	76	100.8 Å²	100.8	47%	0.466	60%	0.597	S	S	.	*			trans	-71.6	146.3	176.8	66	0	0	0	0	110.1	A45 P49 T50 A51	A45-T47 PolarHBondContact O-N 3.13Å; T47-P49 VanDerWaalsContact C-N 3.27Å; T47-P49 VanDerWaalsContact O-N 3.14Å; T47-T50 WeakPolarHBondContact O-CA 3.28Å; T47-T50 VanDerWaalsContact O-CB 3.25Å; T47-T50 WeakPolarHBondContact O-CB 3.49Å; T47-T50 PolarHBondContact O-N 3.03Å; T47-T50 PolarHBondContact O-OG1 3.33Å; T47-T50 PolarHBondContact OG1-OG1 2.88Å; T47-A51 PolarHBondContact O-N 3.13Å
48	F	52.3	Low	49.8	Very low	35 Å²	35	94.7 Å²	94.7	15%	0.154	58%	0.575	C	S	.	*	H	α-helix	trans	-45.3	-41.2	176.1	-176.1	-106.2	0	0	0	114.4	T50 A51 V52 S93 A97 A98 L101	F48-T50 VanDerWaalsContact C-N 3.31Å; F48-T50 PolarHBondContact O-N 3.18Å; F48-A51 WeakPolarHBondContact O-CB 3.35Å; F48-A51 PolarHBondContact O-N 3.47Å; F48-V52 HydrophobicContact CD1-CG2 4.06Å; F48-V52 HydrophobicContact CD2-CG2 4.4Å; F48-V52 HydrophobicContact CE1-CG2 3.7Å; F48-V52 HydrophobicContact CE2-CG2 4.08Å; F48-V52 HydrophobicContact CG-CG2 4.41Å; F48-V52 HydrophobicContact CZ-CG2 3.72Å; F48-V52 WeakPolarHBondContact O-CG2 3.39Å; F48-V52 PolarHBondContact O-N 2.8Å; F48-S93 WeakPolarHBondContact CB-OG 3.2Å; F48-S93 PolarHBondContact N-OG 2.83Å; F48-A97 HydrophobicContact CD1-CB 4.32Å; F48-A97 HydrophobicContact CE1-CB 3.58Å; F48-A97 HydrophobicContact CZ-CB 3.96Å; F48-A98 HydrophobicContact CD2-CB 3.47Å; F48-A98 VanDerWaalsContact CD2-CB 3.47Å; F48-A98 VanDerWaalsContact CE2-CA 3.45Å; F48-A98 HydrophobicContact CE2-CB 3.65Å; F48-A98 HydrophobicContact CG-CB 4.17Å; F48-A98 HydrophobicContact CZ-CB 4.47Å; F48-L101 HydrophobicContact CE2-CD2 4.16Å; F48-L101 HydrophobicContact CZ-CD2 4.46Å
49	P	62.9	Low	51.5	Low	87 Å²	87	90.6 Å²	90.6	57%	0.565	55%	0.553	S	S	*	*	H	α-helix	trans	-60.6	-36.8	174.3	-23.7	34.6	0	0	0	113.8	T47 A51 A53	T47-P49 VanDerWaalsContact C-N 3.27Å; T47-P49 VanDerWaalsContact O-N 3.14Å; P49-A51 VanDerWaalsContact C-N 3.34Å; P49-A53 VanDerWaalsContact O-CB 3.25Å; P49-A53 WeakPolarHBondContact O-CB 3.34Å; P49-A53 PolarHBondContact O-N 3.04Å
50	T	58.9	Low	53.1	Low	68 Å²	68	88.7 Å²	88.7	42%	0.417	53%	0.534	S	S	.	.	H	α-helix	trans	-66.3	-39.3	177	-42	0	0	0	0	111.1	T47 F48 R54	T47-T50 WeakPolarHBondContact O-CA 3.28Å; T47-T50 VanDerWaalsContact O-CB 3.25Å; T47-T50 WeakPolarHBondContact O-CB 3.49Å; T47-T50 PolarHBondContact O-N 3.03Å; T47-T50 PolarHBondContact O-OG1 3.33Å; T47-T50 PolarHBondContact OG1-OG1 2.88Å; F48-T50 VanDerWaalsContact C-N 3.31Å; F48-T50 PolarHBondContact O-N 3.18Å; T50-R54 PolarHBondContact O-N 3.17Å
51	A	53.7	Low	54.6	Low	12 Å²	12	82.6 Å²	82.6	10%	0.099	51%	0.509	C	S	.	.	H	α-helix	trans	-67	-46.8	175.6	0	0	0	0	0	112.7	T47 F48 P49 A53 R54 L55 V89	T47-A51 PolarHBondContact O-N 3.13Å; F48-A51 WeakPolarHBondContact O-CB 3.35Å; F48-A51 PolarHBondContact O-N 3.47Å; P49-A51 VanDerWaalsContact C-N 3.34Å; A51-A53 VanDerWaalsContact C-N 3.31Å; A51-A53 PolarHBondContact O-N 2.82Å; A51-R54 WeakPolarHBondContact O-CB 3.27Å; A51-R54 PolarHBondContact O-N 2.89Å; A51-L55 PolarHBondContact O-N 3.44Å; A51-V89 HydrophobicContact CB-CG1 3.22Å
52	V	65.7	Low	55.5	Low	66 Å²	66	80.2 Å²	80.2	40%	0.4	49%	0.49	S	S	.	.	H	α-helix	trans	-61.8	-41.1	175.5	173.9	0	0	0	0	110.7	F48 R54 L55 H56	F48-V52 HydrophobicContact CD1-CG2 4.06Å; F48-V52 HydrophobicContact CD2-CG2 4.4Å; F48-V52 HydrophobicContact CE1-CG2 3.7Å; F48-V52 HydrophobicContact CE2-CG2 4.08Å; F48-V52 HydrophobicContact CG-CG2 4.41Å; F48-V52 HydrophobicContact CZ-CG2 3.72Å; F48-V52 WeakPolarHBondContact O-CG2 3.39Å; F48-V52 PolarHBondContact O-N 2.8Å; V52-R54 VanDerWaalsContact C-N 3.34Å; V52-R54 PolarHBondContact O-N 3.05Å; V52-L55 PolarHBondContact O-N 3.04Å; V52-H56 WeakPolarHBondContact O-CB 3.41Å; V52-H56 PolarHBondContact O-N 2.91Å
53	A	65.8	Low	56.5	Low	60 Å²	60	77.9 Å²	77.9	50%	0.496	47%	0.474	S	S	.	.	H	α-helix	trans	-62.9	-39.5	175.6	0	0	0	0	0	112.2	P49 A51 A57	P49-A53 VanDerWaalsContact O-CB 3.25Å; P49-A53 WeakPolarHBondContact O-CB 3.34Å; P49-A53 PolarHBondContact O-N 3.04Å; A51-A53 VanDerWaalsContact C-N 3.31Å; A51-A53 PolarHBondContact O-N 2.82Å; A53-A57 WeakPolarHBondContact O-CB 3.2Å; A53-A57 PolarHBondContact O-N 2.7Å
54	R	60.5	Low	57.6	Low	158 Å²	158	80.9 Å²	80.9	60%	0.596	46%	0.463	S	S	*	.	H	α-helix	trans	-63.8	-45.2	172.4	-87.5	-177	158.8	-167	-7	112.1	T50 A51 V52 H56 A57 L58	T50-R54 PolarHBondContact O-N 3.17Å; A51-R54 WeakPolarHBondContact O-CB 3.27Å; A51-R54 PolarHBondContact O-N 2.89Å; V52-R54 VanDerWaalsContact C-N 3.34Å; V52-R54 PolarHBondContact O-N 3.05Å; R54-H56 VanDerWaalsContact C-N 3.33Å; R54-H56 PolarHBondContact O-N 3.02Å; R54-A57 PolarHBondContact O-N 2.63Å; R54-L58 WeakPolarHBondContact O-CG 3.27Å; R54-L58 PolarHBondContact O-N 3.31Å
55	L	64.4	Low	58.4	Low	71 Å²	71	83.1 Å²	83.1	37%	0.372	45%	0.454	S	S	.	.	H	α-helix	trans	-61.2	-44.3	177.8	-152.2	96.5	0	0	0	110.9	A51 V52 A57 L58 I59 L86	A51-L55 PolarHBondContact O-N 3.44Å; V52-L55 PolarHBondContact O-N 3.04Å; L55-A57 VanDerWaalsContact C-N 3.34Å; L55-A57 PolarHBondContact O-N 3.12Å; L55-L58 PolarHBondContact O-N 3.28Å; L55-I59 HydrophobicContact CD2-CD1 4.06Å; L55-I59 HydrophobicContact CG-CD1 4.33Å; L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.43Å; L55-I59 PolarHBondContact O-N 3.01Å; L55-L86 HydrophobicContact CD1-CD2 3.79Å
56	H	69.8	Low	58.8	Low	111 Å²	111	85.5 Å²	85.5	51%	0.514	45%	0.447	S	S	.	.	H	α-helix	trans	-65.7	-36.2	177	-159.7	-66.6	0	0	0	112.1	V52 R54 N60	V52-H56 WeakPolarHBondContact O-CB 3.41Å; V52-H56 PolarHBondContact O-N 2.91Å; R54-H56 VanDerWaalsContact C-N 3.33Å; R54-H56 PolarHBondContact O-N 3.02Å; H56-N60 PolarHBondContact CE1-ND2 3.48Å; H56-N60 PolarHBondContact ND1-ND2 3.16Å; H56-N60 VanDerWaalsContact ND1-ND2 3.14Å; H56-N60 VanDerWaalsContact O-CB 3.3Å; H56-N60 WeakPolarHBondContact O-CB 3.48Å; H56-N60 VanDerWaalsContact O-CG 3.26Å; H56-N60 PolarHBondContact O-N 2.86Å
57	A	66.7	Low	58.6	Low	56 Å²	56	89.3 Å²	89.3	46%	0.463	47%	0.465	S	S	.	.	H	α-helix	trans	-65.5	-43.5	173.9	0	0	0	0	0	111.6	A53 R54 L55 N60 E61	A53-A57 WeakPolarHBondContact O-CB 3.2Å; A53-A57 PolarHBondContact O-N 2.7Å; R54-A57 PolarHBondContact O-N 2.63Å; L55-A57 VanDerWaalsContact C-N 3.34Å; L55-A57 PolarHBondContact O-N 3.12Å; A57-N60 PolarHBondContact O-N 3.17Å; A57-E61 WeakPolarHBondContact O-CB 3.46Å; A57-E61 PolarHBondContact O-N 3.37Å
58	L	60	Low	57.8	Low	90 Å²	90	93 Å²	93	47%	0.471	48%	0.477	S	S	.	.	H	α-helix	trans	-65.1	-41.6	176.8	-71.6	168.7	0	0	0	112.3	R54 L55 E61 A62 L77	R54-L58 WeakPolarHBondContact O-CG 3.27Å; R54-L58 PolarHBondContact O-N 3.31Å; L55-L58 PolarHBondContact O-N 3.28Å; L58-E61 PolarHBondContact O-N 3.32Å; L58-A62 WeakPolarHBondContact O-CB 3.49Å; L58-A62 PolarHBondContact O-N 2.88Å; L58-L77 HydrophobicContact CD1-CD2 4.44Å
59	I	66	Low	57	Low	85 Å²	85	97.2 Å²	97.2	44%	0.436	51%	0.508	S	S	.	.	H	α-helix	trans	-64.6	-44.3	175.7	-68.5	166.2	0	0	0	110.4	L55 A62 Q63	L55-I59 HydrophobicContact CD2-CD1 4.06Å; L55-I59 HydrophobicContact CG-CD1 4.33Å; L55-I59 VanDerWaalsContact O-CG1 3.27Å; L55-I59 WeakPolarHBondContact O-CG1 3.43Å; L55-I59 PolarHBondContact O-N 3.01Å; I59-A62 PolarHBondContact O-N 3.24Å; I59-Q63 HydrophobicContact CG2-CG 4.45Å; I59-Q63 WeakPolarHBondContact O-CB 3.41Å; I59-Q63 WeakPolarHBondContact O-CG 3.37Å; I59-Q63 PolarHBondContact O-N 2.94Å
60	N	65.6	Low	55.6	Low	64 Å²	64	101 Å²	101	34%	0.342	52%	0.516	S	S	.	.	H	α-helix	trans	-64.4	-41.8	176.8	-78.9	-8.8	0	0	0	111.7	H56 A57 A62 Q63 E64	H56-N60 PolarHBondContact CE1-ND2 3.48Å; H56-N60 PolarHBondContact ND1-ND2 3.16Å; H56-N60 VanDerWaalsContact ND1-ND2 3.14Å; H56-N60 VanDerWaalsContact O-CB 3.3Å; H56-N60 WeakPolarHBondContact O-CB 3.48Å; H56-N60 VanDerWaalsContact O-CG 3.26Å; H56-N60 PolarHBondContact O-N 2.86Å; A57-N60 PolarHBondContact O-N 3.17Å; N60-A62 VanDerWaalsContact C-N 3.3Å; N60-A62 PolarHBondContact O-N 3.36Å; N60-Q63 CarbonylContact O-C 3.47Å; N60-Q63 PolarHBondContact O-N 3.08Å; N60-Q63 VanDerWaalsContact O-N 3.11Å; N60-E64 PolarHBondContact O-N 3.01Å
61	E	60.9	Low	54.5	Low	92 Å²	92	102.1 Å²	102.1	43%	0.43	52%	0.52	S	S	.	.	H	α-helix	trans	-62.8	-39.3	176.1	-165.8	-173.6	161.6	0	0	111	A57 L58 K65	A57-E61 WeakPolarHBondContact O-CB 3.46Å; A57-E61 PolarHBondContact O-N 3.37Å; L58-E61 PolarHBondContact O-N 3.32Å; E61-K65 WeakPolarHBondContact O-CB 3.49Å; E61-K65 VanDerWaalsContact O-CG 3.31Å; E61-K65 WeakPolarHBondContact O-CG 3.43Å; E61-K65 PolarHBondContact O-N 3.11Å; E61-K65 VanDerWaalsContact O-N 3.08Å; E61-K65 WeakPolarHBondContact OE1-CE 3.32Å; E61-K65 IonicContact OE1-NZ 3.97Å; E61-K65 PolarHBondContact OE1-NZ 3.17Å
62	A	53.2	Low	53.5	Low	43 Å²	43	105.1 Å²	105.1	36%	0.355	55%	0.552	S	S	.	*	H	α-helix	trans	-67.4	-33	173.1	0	0	0	0	0	112.8	L58 I59 N60 K66	L58-A62 WeakPolarHBondContact O-CB 3.49Å; L58-A62 PolarHBondContact O-N 2.88Å; I59-A62 PolarHBondContact O-N 3.24Å; N60-A62 VanDerWaalsContact C-N 3.3Å; N60-A62 PolarHBondContact O-N 3.36Å; A62-K66 PolarHBondContact O-N 2.87Å
63	Q	54.8	Low	52.1	Low	112 Å²	112	106 Å²	106	52%	0.523	56%	0.559	S	S	.	*	H	α-helix	trans	-77.5	-34.1	175.8	-76.6	-174.9	-43	0	0	113.3	I59 N60 K66	I59-Q63 HydrophobicContact CG2-CG 4.45Å; I59-Q63 WeakPolarHBondContact O-CB 3.41Å; I59-Q63 WeakPolarHBondContact O-CG 3.37Å; I59-Q63 PolarHBondContact O-N 2.94Å; N60-Q63 CarbonylContact O-C 3.47Å; N60-Q63 PolarHBondContact O-N 3.08Å; N60-Q63 VanDerWaalsContact O-N 3.11Å; Q63-K66 WeakPolarHBondContact O-CB 3.36Å; Q63-K66 PolarHBondContact O-N 3.36Å
64	E	56.2	Low	50.6	Low	153 Å²	153	105.9 Å²	105.9	72%	0.715	55%	0.554	S	S	*	*	H	α-helix	trans	-69.1	-37.9	173.8	-77.4	-177.1	167.5	0	0	110.6	N60 K66 Q67	N60-E64 PolarHBondContact O-N 3.01Å; E64-K66 PolarHBondContact O-N 2.87Å; E64-Q67 PolarHBondContact O-N 3.3Å
65	K	50.8	Low	49.8	Very low	116 Å²	116	102.9 Å²	102.9	50%	0.504	55%	0.553	S	S	.	*	H	α-helix	trans	-67.9	-19.2	173.1	-70.6	177.1	-172.6	170.1	0	113.5	E61 Q67 Q68	E61-K65 WeakPolarHBondContact O-CB 3.49Å; E61-K65 VanDerWaalsContact O-CG 3.31Å; E61-K65 WeakPolarHBondContact O-CG 3.43Å; E61-K65 PolarHBondContact O-N 3.11Å; E61-K65 VanDerWaalsContact O-N 3.08Å; E61-K65 WeakPolarHBondContact OE1-CE 3.32Å; E61-K65 IonicContact OE1-NZ 3.97Å; E61-K65 PolarHBondContact OE1-NZ 3.17Å; K65-Q67 PolarHBondContact O-N 2.95Å; K65-Q68 PolarHBondContact O-N 2.88Å; K65-Q68 VanDerWaalsContact O-N 3.15Å
66	K	47.2	Very low	48.7	Very low	136 Å²	136	102.8 Å²	102.8	59%	0.591	56%	0.562	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.4	-10.2	174	-94.5	-178.3	175.7	-179.6	0	114.8	A62 Q63 E64 F70	A62-K66 PolarHBondContact O-N 2.87Å; Q63-K66 WeakPolarHBondContact O-CB 3.36Å; Q63-K66 PolarHBondContact O-N 3.36Å; E64-K66 PolarHBondContact O-N 2.87Å; K66-F70 HydrophobicContact CG-CE2 4.07Å
67	Q	41.6	Very low	47.5	Very low	184 Å²	184	100.6 Å²	100.6	86%	0.86	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.1	-2.3	172.2	-68.3	-169.6	1	0	0	113.4	E64 K65	E64-Q67 PolarHBondContact O-N 3.3Å; K65-Q67 PolarHBondContact O-N 2.95Å
68	Q	37.2	Very low	46.6	Very low	153 Å²	153	108.9 Å²	108.9	72%	0.715	57%	0.573	S	S	*	*	S	Bend	trans	-99.3	146.4	165.4	-69.3	-170.7	-7.5	0	0	110	K65 F70	K65-Q68 PolarHBondContact O-N 2.88Å; K65-Q68 VanDerWaalsContact O-N 3.15Å; Q68-F70 PolarHBondContact O-N 3.22Å
69	P	36.2	Very low	46	Very low	124 Å²	124	111.5 Å²	111.5	81%	0.805	59%	0.588	S	S	*	*			trans	-54.5	133.7	179.7	22.9	-31	0	0	0	109.5	D71	P69-D71 PolarHBondContact O-N 2.82Å
70	F	32	Very low	45.4	Very low	166 Å²	166	111.6 Å²	111.6	73%	0.728	59%	0.589	S	S	*	*			trans	-62.8	91	-172.1	-139.9	-94.8	0	0	0	110.2	K66 Q68 G72	K66-F70 HydrophobicContact CG-CE2 4.07Å; Q68-F70 PolarHBondContact O-N 3.22Å; F70-G72 PolarHBondContact O-N 2.93Å
71	D	35.5	Very low	45.1	Very low	93 Å²	93	110.7 Å²	110.7	50%	0.497	58%	0.584	S	S	.	*			trans	-74.1	116.4	163	-101	-11.8	0	0	0	107.5	P69 C73 G228	P69-D71 PolarHBondContact O-N 2.82Å; D71-C73 PolarHBondContact O-N 3Å; D71-G228 WeakPolarHBondContact OD2-CA 3.36Å
72	G	33.7	Very low	45.4	Very low	75 Å²	75	108 Å²	108	77%	0.773	57%	0.573	S	S	*	*	S	Bend	trans	-67.1	39.7	-161.7	0	0	0	0	0	118	F70	F70-G72 PolarHBondContact O-N 2.93Å
73	C	35.8	Very low	46.2	Very low	83 Å²	83	107.4 Å²	107.4	56%	0.561	57%	0.566	S	S	*	*			trans	-107.6	122.5	170.9	-149.5	0	0	0	0	110	D71 V75	D71-C73 PolarHBondContact O-N 3Å; C73-V75 PolarHBondContact O-N 2.87Å
74	P	35.7	Very low	46.8	Very low	59 Å²	59	107.2 Å²	107.2	38%	0.383	56%	0.563	S	S	.	*			trans	-56.5	138.3	167.6	-13.8	26.5	0	0	0	108.5	A76 T121	P74-A76 PolarHBondContact O-N 3.06Å; P74-T121 HydrophobicContact CB-CG2 4.04Å
75	V	43.3	Very low	47.3	Very low	94 Å²	94	101.2 Å²	101.2	57%	0.57	54%	0.54	S	S	*	.			trans	-52.6	106.2	171.1	176.2	0	0	0	0	107.3	C73 L77	C73-V75 PolarHBondContact O-N 2.87Å; V75-L77 PolarHBondContact O-N 3.13Å
76	A	40.5	Very low	48.2	Very low	69 Å²	69	96.6 Å²	96.6	57%	0.57	52%	0.521	S	S	*	.			trans	-62.1	104.4	174.6	0	0	0	0	0	107.2	P74 R78	P74-A76 PolarHBondContact O-N 3.06Å; A76-R78 PolarHBondContact O-N 3.47Å
77	L	45.4	Very low	49.3	Very low	65 Å²	65	95 Å²	95	34%	0.34	51%	0.511	S	S	.	.			trans	-59.5	110.9	158.6	-78.5	157.3	0	0	0	105.1	L58 V75 D79 L82 F117	L58-L77 HydrophobicContact CD1-CD2 4.44Å; V75-L77 PolarHBondContact O-N 3.13Å; L77-D79 PolarHBondContact O-N 2.9Å; L77-L82 HydrophobicContact CD1-CB 3.87Å; L77-L82 HydrophobicContact CD1-CD1 3.72Å; L77-L82 HydrophobicContact CD1-CD2 4.39Å; L77-L82 HydrophobicContact CD1-CG 4.18Å; L77-F117 HydrophobicContact CD1-CE1 4.15Å
78	R	46.3	Very low	50.5	Low	231 Å²	231	90.9 Å²	90.9	87%	0.872	49%	0.492	S	S	*	.	S	Bend	trans	-53.9	122.2	-179.4	-73.7	176.1	165.9	-178.1	-5.4	109.1	A76 D80	A76-R78 PolarHBondContact O-N 3.47Å; R78-D80 PolarHBondContact O-N 3.37Å
79	D	48.8	Very low	51.8	Low	144 Å²	144	85.7 Å²	85.7	77%	0.77	47%	0.47	S	S	*	.	S	Bend	trans	52.5	-8.6	164.9	-72.4	-17.2	0	0	0	119.8	L77 K298	L77-D79 PolarHBondContact O-N 2.9Å; D79-K298 IonicContact OD2-NZ 2.84Å; D79-K298 PolarHBondContact OD2-NZ 2.87Å
80	D	52.1	Low	53.1	Low	87 Å²	87	80 Å²	80	47%	0.465	43%	0.434	S	S	.	.	S	Bend	trans	-113.2	126.5	175.6	-69.1	-40.8	0	0	0	111.5	R78 L82 A85	R78-D80 PolarHBondContact O-N 3.37Å; D80-L82 PolarHBondContact O-N 2.83Å; D80-A85 HydrophobicContact CB-CB 4.28Å
81	D	59.8	Low	54.7	Low	45 Å²	45	78.6 Å²	78.6	24%	0.241	43%	0.429	C	S	.	.			trans	-53.9	132.2	169.3	-68.1	-20	0	0	0	109.2	S83 F84 A85 R122	D81-S83 PolarHBondContact O-N 2.86Å; D81-F84 HydrophobicContact CB-CB 3.78Å; D81-F84 CarbonylContact O-C 3.51Å; D81-F84 WeakPolarHBondContact O-CA 3.37Å; D81-F84 WeakPolarHBondContact O-CB 3.08Å; D81-F84 PolarHBondContact O-N 3.44Å; D81-A85 PolarHBondContact O-N 3.35Å; D81-R122 IonicContact OD1-CZ 3.63Å; D81-R122 IonicContact OD1-NE 3.49Å; D81-R122 PolarHBondContact OD1-NE 3.47Å; D81-R122 IonicContact OD1-NH2 3.71Å; D81-R122 PolarHBondContact OD1-NH2 3.29Å; D81-R122 IonicContact OD2-CZ 3.51Å; D81-R122 IonicContact OD2-NH2 3.68Å; D81-R122 PolarHBondContact OD2-NH2 3.19Å
82	L	67.4	Low	56.2	Low	36 Å²	36	79.8 Å²	79.8	19%	0.188	44%	0.435	C	S	.	.	H	α-helix	trans	-58.8	-36.9	178.3	178.1	62.3	0	0	0	109.7	L77 D80 F84 L86 L114 F117 D118	L77-L82 HydrophobicContact CD1-CB 3.87Å; L77-L82 HydrophobicContact CD1-CD1 3.72Å; L77-L82 HydrophobicContact CD1-CD2 4.39Å; L77-L82 HydrophobicContact CD1-CG 4.18Å; D80-L82 PolarHBondContact O-N 2.83Å; L82-F84 VanDerWaalsContact C-N 3.35Å; L82-F84 PolarHBondContact O-N 3.14Å; L82-L86 HydrophobicContact CD1-CD1 3.97Å; L82-L86 HydrophobicContact CD1-CG 3.98Å; L82-L86 HydrophobicContact CG-CD1 3.88Å; L82-L86 HydrophobicContact CG-CG 4.33Å; L82-L86 VanDerWaalsContact O-CB 3.24Å; L82-L86 WeakPolarHBondContact O-CB 3.47Å; L82-L86 WeakPolarHBondContact O-CG 3.42Å; L82-L86 PolarHBondContact O-N 3.45Å; L82-L114 HydrophobicContact CD2-CD2 3.86Å; L82-L114 HydrophobicContact CG-CD2 4.1Å; L82-F117 HydrophobicContact CB-CD1 4.13Å; L82-F117 HydrophobicContact CB-CE1 4.28Å; L82-F117 HydrophobicContact CD2-CD1 3.74Å; L82-F117 HydrophobicContact CD2-CE1 3.81Å; L82-F117 HydrophobicContact CD2-CG 4.32Å; L82-F117 HydrophobicContact CD2-CZ 4.44Å; L82-D118 PolarHBondContact N-OD1 2.86Å
83	S	69.1	Low	57.7	Low	30 Å²	30	76.9 Å²	76.9	21%	0.21	40%	0.404	C	S	.	.	H	α-helix	trans	-62.5	-38.3	173.6	66.8	0	0	0	0	113.3	D81 R87 D118	D81-S83 PolarHBondContact O-N 2.86Å; S83-R87 WeakPolarHBondContact O-CG 3.42Å; S83-R87 PolarHBondContact O-N 2.87Å; S83-R87 VanDerWaalsContact O-N 3.14Å; S83-D118 WeakPolarHBondContact CB-OD2 3.27Å; S83-D118 PolarHBondContact N-OD2 3.39Å; S83-D118 PolarHBondContact OG-OD2 3.05Å
84	F	69	Low	59.3	Low	108 Å²	108	81.1 Å²	81.1	47%	0.474	42%	0.42	S	S	.	.	H	α-helix	trans	-73.2	-47.8	177.5	-176.8	-98.1	0	0	0	111.8	D81 L82 L86 R87 Q88	D81-F84 HydrophobicContact CB-CB 3.78Å; D81-F84 CarbonylContact O-C 3.51Å; D81-F84 WeakPolarHBondContact O-CA 3.37Å; D81-F84 WeakPolarHBondContact O-CB 3.08Å; D81-F84 PolarHBondContact O-N 3.44Å; L82-F84 VanDerWaalsContact C-N 3.35Å; L82-F84 PolarHBondContact O-N 3.14Å; F84-L86 VanDerWaalsContact C-N 3.32Å; F84-L86 PolarHBondContact O-N 3.24Å; F84-R87 PolarHBondContact O-N 2.78Å; F84-R87 VanDerWaalsContact O-N 3.11Å; F84-Q88 PolarHBondContact O-N 3.01Å
85	A	66.2	Low	61.2	Low	28 Å²	28	80.3 Å²	80.3	23%	0.231	42%	0.416	C	S	.	.	H	α-helix	trans	-59	-43.4	177.6	0	0	0	0	0	111.4	D80 D81 Q88 V89	D80-A85 HydrophobicContact CB-CB 4.28Å; D81-A85 PolarHBondContact O-N 3.35Å; A85-Q88 PolarHBondContact O-N 2.94Å; A85-V89 WeakPolarHBondContact O-CB 3.44Å; A85-V89 WeakPolarHBondContact O-CG2 3.14Å; A85-V89 PolarHBondContact O-N 3.39Å
86	L	69.2	Low	62.8	Low	18 Å²	18	79.3 Å²	79.3	9%	0.094	42%	0.418	C	S	.	.	H	α-helix	trans	-63.2	-42.4	174.7	-74.1	172.2	0	0	0	111.6	L55 L82 F84 V90 F105 L114	L55-L86 HydrophobicContact CD1-CD2 3.79Å; L82-L86 HydrophobicContact CD1-CD1 3.97Å; L82-L86 HydrophobicContact CD1-CG 3.98Å; L82-L86 HydrophobicContact CG-CD1 3.88Å; L82-L86 HydrophobicContact CG-CG 4.33Å; L82-L86 VanDerWaalsContact O-CB 3.24Å; L82-L86 WeakPolarHBondContact O-CB 3.47Å; L82-L86 WeakPolarHBondContact O-CG 3.42Å; L82-L86 PolarHBondContact O-N 3.45Å; F84-L86 VanDerWaalsContact C-N 3.32Å; F84-L86 PolarHBondContact O-N 3.24Å; L86-V90 WeakPolarHBondContact O-CB 3.34Å; L86-V90 WeakPolarHBondContact O-CG2 3.06Å; L86-V90 PolarHBondContact O-N 2.97Å; L86-V90 VanDerWaalsContact O-N 3.09Å; L86-F105 HydrophobicContact CB-CD2 4.47Å; L86-F105 HydrophobicContact CB-CE2 4.33Å; L86-F105 HydrophobicContact CD1-CD2 4.34Å; L86-F105 HydrophobicContact CD1-CE1 4.29Å; L86-F105 HydrophobicContact CD1-CE2 3.9Å; L86-F105 HydrophobicContact CD1-CZ 3.89Å; L86-F105 HydrophobicContact CD2-CE2 3.87Å; L86-F105 HydrophobicContact CD2-CZ 4.14Å; L86-F105 HydrophobicContact CG-CE2 4.26Å; L86-L114 HydrophobicContact CD1-CD1 4.22Å; L86-L114 HydrophobicContact CD1-CD2 3.84Å
87	R	70.1	Confident	64.5	Low	104 Å²	104	78.4 Å²	78.4	39%	0.392	41%	0.41	S	S	.	.	H	α-helix	trans	-62.8	-47.6	175.7	-79.5	-176.8	-174.7	161.9	8.9	112.1	S83 F84 V89 V90 E91	S83-R87 WeakPolarHBondContact O-CG 3.42Å; S83-R87 PolarHBondContact O-N 2.87Å; S83-R87 VanDerWaalsContact O-N 3.14Å; F84-R87 PolarHBondContact O-N 2.78Å; F84-R87 VanDerWaalsContact O-N 3.11Å; R87-V89 VanDerWaalsContact C-N 3.28Å; R87-V89 PolarHBondContact O-N 3.33Å; R87-V90 PolarHBondContact O-N 3.01Å; R87-V90 VanDerWaalsContact O-N 3.17Å; R87-E91 VanDerWaalsContact O-CB 3.27Å; R87-E91 WeakPolarHBondContact O-CB 3.4Å; R87-E91 WeakPolarHBondContact O-CG 3.11Å; R87-E91 PolarHBondContact O-N 2.85Å
88	Q	68.1	Low	65.7	Low	97 Å²	97	75.3 Å²	75.3	45%	0.453	39%	0.394	S	S	.	.	H	α-helix	trans	-63	-37.1	-177.6	-160.6	-174.2	25	0	0	112	F84 A85 N92	F84-Q88 PolarHBondContact O-N 3.01Å; A85-Q88 PolarHBondContact O-N 2.94Å; Q88-N92 WeakPolarHBondContact O-CB 3.31Å; Q88-N92 PolarHBondContact O-N 3.31Å; Q88-N92 PolarHBondContact O-ND2 3.2Å
89	V	63.6	Low	66.9	Low	43 Å²	43	67.1 Å²	67.1	26%	0.261	37%	0.372	S	S	.	.	H	α-helix	trans	-68.3	-39.7	176.8	163.4	0	0	0	0	112	A51 A85 R87	A51-V89 HydrophobicContact CB-CG1 3.22Å; A85-V89 WeakPolarHBondContact O-CB 3.44Å; A85-V89 WeakPolarHBondContact O-CG2 3.14Å; A85-V89 PolarHBondContact O-N 3.39Å; R87-V89 VanDerWaalsContact C-N 3.28Å; R87-V89 PolarHBondContact O-N 3.33Å
90	V	64.5	Low	68.4	Low	5 Å²	5	64.9 Å²	64.9	3%	0.03	36%	0.36	C	S	.	.	H	α-helix	trans	-87.1	-35.2	-173.2	-172.4	0	0	0	0	111.6	L86 R87 N92 S93 A98 L101 L102	L86-V90 WeakPolarHBondContact O-CB 3.34Å; L86-V90 WeakPolarHBondContact O-CG2 3.06Å; L86-V90 PolarHBondContact O-N 2.97Å; L86-V90 VanDerWaalsContact O-N 3.09Å; R87-V90 PolarHBondContact O-N 3.01Å; R87-V90 VanDerWaalsContact O-N 3.17Å; V90-N92 PolarHBondContact O-N 3.49Å; V90-S93 PolarHBondContact O-N 3.37Å; V90-A98 HydrophobicContact CG1-CB 3.78Å; V90-A98 WeakPolarHBondContact CG1-O 3.42Å; V90-L101 HydrophobicContact CG2-CD2 4.24Å; V90-L102 HydrophobicContact CB-CD1 3.9Å; V90-L102 HydrophobicContact CB-CG 3.97Å; V90-L102 HydrophobicContact CG1-CB 3.74Å; V90-L102 HydrophobicContact CG1-CD1 3.39Å; V90-L102 HydrophobicContact CG1-CG 3.45Å; V90-L102 VanDerWaalsContact CG1-CG 3.45Å
91	E	65.3	Low	69.6	Low	137 Å²	137	63.4 Å²	63.4	64%	0.64	35%	0.352	S	S	*	.	H	α-helix	trans	-63.5	-27.7	173.6	-76.6	178.7	179.5	0	0	112.6	R87 S93 L102	R87-E91 VanDerWaalsContact O-CB 3.27Å; R87-E91 WeakPolarHBondContact O-CB 3.4Å; R87-E91 WeakPolarHBondContact O-CG 3.11Å; R87-E91 PolarHBondContact O-N 2.85Å; E91-S93 VanDerWaalsContact C-N 3.3Å; E91-L102 HydrophobicContact CG-CD1 4.38Å
92	N	66.8	Low	70.4	Confident	117 Å²	117	62.8 Å²	62.8	63%	0.626	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	5.8	175	-71.8	-46	0	0	0	113.7	Q88 V90	Q88-N92 WeakPolarHBondContact O-CB 3.31Å; Q88-N92 PolarHBondContact O-N 3.31Å; Q88-N92 PolarHBondContact O-ND2 3.2Å; V90-N92 PolarHBondContact O-N 3.49Å
93	S	65.1	Low	71	Confident	15 Å²	15	67 Å²	67	11%	0.105	37%	0.365	C	S	.	.			trans	-118.6	118	-179.8	-99.2	0	0	0	0	113	F48 V90 E91 S95	F48-S93 WeakPolarHBondContact CB-OG 3.2Å; F48-S93 PolarHBondContact N-OG 2.83Å; V90-S93 PolarHBondContact O-N 3.37Å; E91-S93 VanDerWaalsContact C-N 3.3Å; S93-S95 PolarHBondContact O-N 3.26Å; S93-S95 VanDerWaalsContact O-N 3.12Å
94	D	69.4	Low	71.6	Confident	171 Å²	171	69.8 Å²	69.8	91%	0.914	37%	0.374	S	S	*	.			trans	-75.1	9.6	173.2	-65	-33.4	0	0	0	114.1
95	S	76.1	Confident	72.1	Confident	42 Å²	42	66.4 Å²	66.4	29%	0.294	36%	0.359	S	S	.	.			trans	-75.7	133.3	-176.1	174.3	0	0	0	0	111	S93 A97 A98 C99	S93-S95 PolarHBondContact O-N 3.26Å; S93-S95 VanDerWaalsContact O-N 3.12Å; S95-A97 PolarHBondContact O-N 3.45Å; S95-A97 VanDerWaalsContact O-N 3.17Å; S95-A97 PolarHBondContact OG-N 3.21Å; S95-A98 WeakPolarHBondContact O-CA 3.44Å; S95-A98 WeakPolarHBondContact O-CB 3.25Å; S95-A98 PolarHBondContact O-N 3.21Å; S95-C99 PolarHBondContact O-N 3.37Å
96	A	77	Confident	72.8	Confident	73 Å²	73	70.9 Å²	70.9	60%	0.603	38%	0.375	S	S	*	.	H	α-helix	trans	-54.5	-36.5	173.4	0	0	0	0	0	112.3	A98 C99 D100	A96-A98 VanDerWaalsContact C-N 3.32Å; A96-A98 PolarHBondContact O-N 2.86Å; A96-C99 PolarHBondContact O-N 2.99Å; A96-D100 PolarHBondContact O-N 2.9Å
97	A	75.1	Confident	73.4	Confident	50 Å²	50	73.9 Å²	73.9	41%	0.413	39%	0.388	S	S	.	.	H	α-helix	trans	-67.7	-32.2	174.8	0	0	0	0	0	112.6	F48 S95 L101	F48-A97 HydrophobicContact CD1-CB 4.32Å; F48-A97 HydrophobicContact CE1-CB 3.58Å; F48-A97 HydrophobicContact CZ-CB 3.96Å; S95-A97 PolarHBondContact O-N 3.45Å; S95-A97 VanDerWaalsContact O-N 3.17Å; S95-A97 PolarHBondContact OG-N 3.21Å; A97-L101 VanDerWaalsContact O-CB 3.31Å; A97-L101 WeakPolarHBondContact O-CB 3.35Å; A97-L101 PolarHBondContact O-N 2.92Å
98	A	70	Confident	74	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-66.9	-47.4	172.7	0	0	0	0	0	110	F48 V90 S95 A96 D100 L101 L102	F48-A98 HydrophobicContact CD2-CB 3.47Å; F48-A98 VanDerWaalsContact CD2-CB 3.47Å; F48-A98 VanDerWaalsContact CE2-CA 3.45Å; F48-A98 HydrophobicContact CE2-CB 3.65Å; F48-A98 HydrophobicContact CG-CB 4.17Å; F48-A98 HydrophobicContact CZ-CB 4.47Å; V90-A98 HydrophobicContact CG1-CB 3.78Å; V90-A98 WeakPolarHBondContact CG1-O 3.42Å; S95-A98 WeakPolarHBondContact O-CA 3.44Å; S95-A98 WeakPolarHBondContact O-CB 3.25Å; S95-A98 PolarHBondContact O-N 3.21Å; A96-A98 VanDerWaalsContact C-N 3.32Å; A96-A98 PolarHBondContact O-N 2.86Å; A98-D100 VanDerWaalsContact C-N 3.34Å; A98-D100 PolarHBondContact O-N 2.57Å; A98-L101 WeakPolarHBondContact O-CB 3.48Å; A98-L101 PolarHBondContact O-N 2.84Å; A98-L102 PolarHBondContact O-N 3.26Å
99	C	72.1	Confident	74.7	Confident	60 Å²	60	75.3 Å²	75.3	41%	0.405	41%	0.409	S	S	.	.	H	α-helix	trans	-59.6	-41.6	176.1	-62	0	0	0	0	112.8	S95 A96 L102 K103	S95-C99 PolarHBondContact O-N 3.37Å; A96-C99 PolarHBondContact O-N 2.99Å; C99-L102 PolarHBondContact O-N 3.35Å; C99-K103 WeakPolarHBondContact O-CG 3.25Å; C99-K103 PolarHBondContact O-N 3.39Å
100	D	79.8	Confident	75.6	Confident	96 Å²	96	74.6 Å²	74.6	51%	0.513	40%	0.403	S	S	.	.	H	α-helix	trans	-68.9	-35.1	177.4	-74.7	-17.4	0	0	0	112.2	A96 A98 K103 F104	A96-D100 PolarHBondContact O-N 2.9Å; A98-D100 VanDerWaalsContact C-N 3.34Å; A98-D100 PolarHBondContact O-N 2.57Å; D100-K103 PolarHBondContact O-N 3.47Å; D100-K103 IonicContact OD1-NZ 3.86Å; D100-K103 PolarHBondContact OD1-NZ 2.78Å; D100-F104 WeakPolarHBondContact O-CB 3.33Å; D100-F104 PolarHBondContact O-N 3.33Å
101	L	78.4	Confident	76.2	Confident	56 Å²	56	81.7 Å²	81.7	29%	0.293	43%	0.429	S	S	.	.	H	α-helix	trans	-66	-39.8	172.2	-163.7	78.6	0	0	0	111.7	F48 V90 A97 A98 F104 F105	F48-L101 HydrophobicContact CE2-CD2 4.16Å; F48-L101 HydrophobicContact CZ-CD2 4.46Å; V90-L101 HydrophobicContact CG2-CD2 4.24Å; A97-L101 VanDerWaalsContact O-CB 3.31Å; A97-L101 WeakPolarHBondContact O-CB 3.35Å; A97-L101 PolarHBondContact O-N 2.92Å; A98-L101 WeakPolarHBondContact O-CB 3.48Å; A98-L101 PolarHBondContact O-N 2.84Å; L101-F104 WeakPolarHBondContact O-CB 3.48Å; L101-F104 PolarHBondContact O-N 2.78Å; L101-F105 HydrophobicContact CD1-CE2 4.22Å; L101-F105 HydrophobicContact CD1-CZ 4.12Å; L101-F105 HydrophobicContact CD2-CD2 4.4Å; L101-F105 HydrophobicContact CD2-CE2 3.52Å; L101-F105 HydrophobicContact CD2-CZ 4.04Å; L101-F105 HydrophobicContact CG-CD2 4.05Å; L101-F105 HydrophobicContact CG-CE2 3.48Å; L101-F105 VanDerWaalsContact CG-CE2 3.48Å; L101-F105 HydrophobicContact CG-CZ 3.89Å; L101-F105 WeakPolarHBondContact O-CD2 3.39Å; L101-F105 WeakPolarHBondContact O-CG 3.28Å; L101-F105 PolarHBondContact O-N 3.33Å
102	L	77.3	Confident	76.7	Confident	32 Å²	32	76.9 Å²	76.9	17%	0.168	42%	0.417	C	S	.	.	H	α-helix	trans	-61.3	-48.4	174.6	-124	166.6	0	0	0	110.5	V90 E91 A98 C99 F104 F105 E106	V90-L102 HydrophobicContact CB-CD1 3.9Å; V90-L102 HydrophobicContact CB-CG 3.97Å; V90-L102 HydrophobicContact CG1-CB 3.74Å; V90-L102 HydrophobicContact CG1-CD1 3.39Å; V90-L102 HydrophobicContact CG1-CG 3.45Å; V90-L102 VanDerWaalsContact CG1-CG 3.45Å; E91-L102 HydrophobicContact CG-CD1 4.38Å; A98-L102 PolarHBondContact O-N 3.26Å; C99-L102 PolarHBondContact O-N 3.35Å; L102-F104 PolarHBondContact O-N 3.49Å; L102-F105 PolarHBondContact O-N 3.09Å; L102-F105 VanDerWaalsContact O-N 3.14Å; L102-E106 HydrophobicContact CD2-CG 4.25Å; L102-E106 WeakPolarHBondContact O-CB 3.36Å; L102-E106 WeakPolarHBondContact O-CG 3.27Å; L102-E106 PolarHBondContact O-N 3.03Å
103	K	79.2	Confident	77.4	Confident	126 Å²	126	76.5 Å²	76.5	55%	0.548	41%	0.414	S	S	.	.	H	α-helix	trans	-58.1	-36.6	174.7	-72.8	174	-168.5	160	0	112.2	C99 D100 Q107	C99-K103 WeakPolarHBondContact O-CG 3.25Å; C99-K103 PolarHBondContact O-N 3.39Å; D100-K103 PolarHBondContact O-N 3.47Å; D100-K103 IonicContact OD1-NZ 3.86Å; D100-K103 PolarHBondContact OD1-NZ 2.78Å; K103-Q107 WeakPolarHBondContact O-CG 3.39Å; K103-Q107 PolarHBondContact O-N 3.43Å
104	F	82	Confident	78.1	Confident	88 Å²	88	76.8 Å²	76.8	39%	0.386	41%	0.414	S	S	.	.	H	α-helix	trans	-67.3	-46.4	175.7	-179.9	-109	0	0	0	111.7	D100 L101 L102 E106 Q107 M110	D100-F104 WeakPolarHBondContact O-CB 3.33Å; D100-F104 PolarHBondContact O-N 3.33Å; L101-F104 WeakPolarHBondContact O-CB 3.48Å; L101-F104 PolarHBondContact O-N 2.78Å; L102-F104 PolarHBondContact O-N 3.49Å; F104-E106 VanDerWaalsContact C-N 3.27Å; F104-E106 PolarHBondContact O-N 3.17Å; F104-Q107 WeakPolarHBondContact O-CB 3.48Å; F104-Q107 WeakPolarHBondContact O-CG 3.47Å; F104-Q107 PolarHBondContact O-N 2.98Å; F104-Q107 VanDerWaalsContact O-N 3.13Å; F104-M110 HydrophobicContact CD1-CE 4.25Å; F104-M110 HydrophobicContact CD1-CG 4.18Å; F104-M110 HydrophobicContact CD2-CG 4.41Å; F104-M110 HydrophobicContact CE1-CE 3.47Å; F104-M110 VanDerWaalsContact CE1-CE 3.47Å; F104-M110 HydrophobicContact CE1-CG 3.84Å; F104-M110 HydrophobicContact CE1-SD 3.72Å; F104-M110 HydrophobicContact CE2-CG 4.06Å; F104-M110 HydrophobicContact CE2-SD 4.32Å; F104-M110 HydrophobicContact CG-CG 4.47Å; F104-M110 HydrophobicContact CZ-CE 3.93Å; F104-M110 HydrophobicContact CZ-CG 3.77Å; F104-M110 HydrophobicContact CZ-SD 3.54Å; F104-M110 VanDerWaalsContact CZ-SD 3.54Å; F104-M110 WeakPolarHBondContact O-CB 2.93Å; F104-M110 VanDerWaalsContact O-CG 3.3Å; F104-M110 WeakPolarHBondContact O-CG 3.46Å
105	F	80	Confident	78.3	Confident	37 Å²	37	75.3 Å²	75.3	16%	0.162	40%	0.4	C	S	.	.	H	α-helix	trans	-67.9	-24.6	176.6	-66.2	-38.8	0	0	0	113.8	L86 L101 L102 Q107 M110 R111 L114	L86-F105 HydrophobicContact CB-CD2 4.47Å; L86-F105 HydrophobicContact CB-CE2 4.33Å; L86-F105 HydrophobicContact CD1-CD2 4.34Å; L86-F105 HydrophobicContact CD1-CE1 4.29Å; L86-F105 HydrophobicContact CD1-CE2 3.9Å; L86-F105 HydrophobicContact CD1-CZ 3.89Å; L86-F105 HydrophobicContact CD2-CE2 3.87Å; L86-F105 HydrophobicContact CD2-CZ 4.14Å; L86-F105 HydrophobicContact CG-CE2 4.26Å; L101-F105 HydrophobicContact CD1-CE2 4.22Å; L101-F105 HydrophobicContact CD1-CZ 4.12Å; L101-F105 HydrophobicContact CD2-CD2 4.4Å; L101-F105 HydrophobicContact CD2-CE2 3.52Å; L101-F105 HydrophobicContact CD2-CZ 4.04Å; L101-F105 HydrophobicContact CG-CD2 4.05Å; L101-F105 HydrophobicContact CG-CE2 3.48Å; L101-F105 VanDerWaalsContact CG-CE2 3.48Å; L101-F105 HydrophobicContact CG-CZ 3.89Å; L101-F105 WeakPolarHBondContact O-CD2 3.39Å; L101-F105 WeakPolarHBondContact O-CG 3.28Å; L101-F105 PolarHBondContact O-N 3.33Å; L102-F105 PolarHBondContact O-N 3.09Å; L102-F105 VanDerWaalsContact O-N 3.14Å; F105-Q107 VanDerWaalsContact C-N 3.29Å; F105-M110 HydrophobicContact CD1-CE 4.19Å; F105-M110 HydrophobicContact CE1-CE 4.31Å; F105-R111 PolarHBondContact O-N 3.32Å; F105-L114 HydrophobicContact CB-CD1 4.16Å; F105-L114 HydrophobicContact CD1-CD1 4.04Å; F105-L114 HydrophobicContact CG-CD1 4.2Å
106	E	79	Confident	78.2	Confident	121 Å²	121	75.4 Å²	75.4	57%	0.565	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	-13.5	173	-75.1	-178	162.5	0	0	113.7	L102 F104	L102-E106 HydrophobicContact CD2-CG 4.25Å; L102-E106 WeakPolarHBondContact O-CB 3.36Å; L102-E106 WeakPolarHBondContact O-CG 3.27Å; L102-E106 PolarHBondContact O-N 3.03Å; F104-E106 VanDerWaalsContact C-N 3.27Å; F104-E106 PolarHBondContact O-N 3.17Å
107	Q	83	Confident	78.2	Confident	82 Å²	82	75.5 Å²	75.5	38%	0.383	39%	0.391	S	S	.	.	S	Bend	trans	-61.8	139.8	175.5	-63.1	-174.6	-11.3	0	0	110.2	K103 F104 F105 H109 M110 R111	K103-Q107 WeakPolarHBondContact O-CG 3.39Å; K103-Q107 PolarHBondContact O-N 3.43Å; F104-Q107 WeakPolarHBondContact O-CB 3.48Å; F104-Q107 WeakPolarHBondContact O-CG 3.47Å; F104-Q107 PolarHBondContact O-N 2.98Å; F104-Q107 VanDerWaalsContact O-N 3.13Å; F105-Q107 VanDerWaalsContact C-N 3.29Å; Q107-H109 VanDerWaalsContact CB-CE1 3.49Å; Q107-H109 WeakPolarHBondContact CB-CE1 3.49Å; Q107-H109 PolarHBondContact O-N 3.27Å; Q107-H109 VanDerWaalsContact O-N 3.07Å; Q107-H109 PolarHBondContact OE1-CE1 3.34Å; Q107-H109 PolarHBondContact OE1-NE2 2.85Å; Q107-M110 PolarHBondContact O-N 3.21Å; Q107-R111 PolarHBondContact O-N 2.99Å
108	P	81.3	Confident	78	Confident	114 Å²	114	73.5 Å²	73.5	74%	0.74	37%	0.373	S	S	*	.	H	α-helix	trans	-55.4	-37	-169.8	-25.8	31.7	0	0	0	114.2	G112	P108-G112 PolarHBondContact O-N 3.46Å
109	H	82.9	Confident	78	Confident	116 Å²	116	74.8 Å²	74.8	54%	0.537	38%	0.381	S	S	.	.	H	α-helix	trans	-72.8	-37.8	179.6	58	-89.5	0	0	0	112.3	Q107 G112 L113	Q107-H109 VanDerWaalsContact CB-CE1 3.49Å; Q107-H109 WeakPolarHBondContact CB-CE1 3.49Å; Q107-H109 PolarHBondContact O-N 3.27Å; Q107-H109 VanDerWaalsContact O-N 3.07Å; Q107-H109 PolarHBondContact OE1-CE1 3.34Å; Q107-H109 PolarHBondContact OE1-NE2 2.85Å; H109-G112 PolarHBondContact O-N 2.92Å; H109-L113 WeakPolarHBondContact O-CB 3.43Å; H109-L113 PolarHBondContact O-N 2.96Å
110	M	83.2	Confident	77.8	Confident	29 Å²	29	76.2 Å²	76.2	14%	0.143	39%	0.385	C	S	.	.	H	α-helix	trans	-70.7	-42.1	175.3	-68.2	-52.2	-61.7	0	0	111.1	F104 F105 Q107 G112 L113 L114	F104-M110 HydrophobicContact CD1-CE 4.25Å; F104-M110 HydrophobicContact CD1-CG 4.18Å; F104-M110 HydrophobicContact CD2-CG 4.41Å; F104-M110 HydrophobicContact CE1-CE 3.47Å; F104-M110 VanDerWaalsContact CE1-CE 3.47Å; F104-M110 HydrophobicContact CE1-CG 3.84Å; F104-M110 HydrophobicContact CE1-SD 3.72Å; F104-M110 HydrophobicContact CE2-CG 4.06Å; F104-M110 HydrophobicContact CE2-SD 4.32Å; F104-M110 HydrophobicContact CG-CG 4.47Å; F104-M110 HydrophobicContact CZ-CE 3.93Å; F104-M110 HydrophobicContact CZ-CG 3.77Å; F104-M110 HydrophobicContact CZ-SD 3.54Å; F104-M110 VanDerWaalsContact CZ-SD 3.54Å; F104-M110 WeakPolarHBondContact O-CB 2.93Å; F104-M110 VanDerWaalsContact O-CG 3.3Å; F104-M110 WeakPolarHBondContact O-CG 3.46Å; F105-M110 HydrophobicContact CD1-CE 4.19Å; F105-M110 HydrophobicContact CE1-CE 4.31Å; Q107-M110 PolarHBondContact O-N 3.21Å; M110-G112 VanDerWaalsContact C-N 3.31Å; M110-G112 PolarHBondContact O-N 3.44Å; M110-L113 HydrophobicContact CE-CD2 4.27Å; M110-L113 PolarHBondContact O-N 2.91Å; M110-L114 WeakPolarHBondContact O-CB 3Å; M110-L114 WeakPolarHBondContact O-CG 3.36Å; M110-L114 PolarHBondContact O-N 3.19Å
111	R	76.6	Confident	77.1	Confident	153 Å²	153	73.7 Å²	73.7	58%	0.577	37%	0.373	S	S	*	.	H	α-helix	trans	-61	-41.5	173.2	-172.2	179.8	165.6	127.1	-0.1	111.5	F105 Q107 F115	F105-R111 PolarHBondContact O-N 3.32Å; Q107-R111 PolarHBondContact O-N 2.99Å; R111-F115 WeakPolarHBondContact O-CB 3.1Å; R111-F115 PolarHBondContact O-N 3.18Å
112	G	76.7	Confident	76.2	Confident	37 Å²	37	76.5 Å²	76.5	38%	0.381	38%	0.379	S	S	.	.	H	α-helix	trans	-63.6	-40.9	174.2	0	0	0	0	0	112.8	P108 H109 M110 A116	P108-G112 PolarHBondContact O-N 3.46Å; H109-G112 PolarHBondContact O-N 2.92Å; M110-G112 VanDerWaalsContact C-N 3.31Å; M110-G112 PolarHBondContact O-N 3.44Å; G112-A116 VanDerWaalsContact O-CB 3.29Å; G112-A116 WeakPolarHBondContact O-CB 3.47Å; G112-A116 PolarHBondContact O-N 3.15Å
113	L	82.3	Confident	75.4	Confident	109 Å²	109	80.9 Å²	80.9	57%	0.571	39%	0.394	S	S	*	.	H	α-helix	trans	-66.2	-45.6	176.1	-177.1	68.6	0	0	0	112.1	H109 M110 A116 F117	H109-L113 WeakPolarHBondContact O-CB 3.43Å; H109-L113 PolarHBondContact O-N 2.96Å; M110-L113 HydrophobicContact CE-CD2 4.27Å; M110-L113 PolarHBondContact O-N 2.91Å; L113-A116 PolarHBondContact O-N 3.5Å; L113-F117 WeakPolarHBondContact O-CB 3.5Å; L113-F117 PolarHBondContact O-N 2.88Å
114	L	79.3	Confident	74.4	Confident	20 Å²	20	79.7 Å²	79.7	11%	0.105	39%	0.393	C	S	.	.	H	α-helix	trans	-64.6	-41.7	176.8	-71.5	173.6	0	0	0	111.2	L82 L86 F105 M110 F117 D118	L82-L114 HydrophobicContact CD2-CD2 3.86Å; L82-L114 HydrophobicContact CG-CD2 4.1Å; L86-L114 HydrophobicContact CD1-CD1 4.22Å; L86-L114 HydrophobicContact CD1-CD2 3.84Å; F105-L114 HydrophobicContact CB-CD1 4.16Å; F105-L114 HydrophobicContact CD1-CD1 4.04Å; F105-L114 HydrophobicContact CG-CD1 4.2Å; M110-L114 WeakPolarHBondContact O-CB 3Å; M110-L114 WeakPolarHBondContact O-CG 3.36Å; M110-L114 PolarHBondContact O-N 3.19Å; L114-F117 WeakPolarHBondContact O-CB 3.21Å; L114-F117 PolarHBondContact O-N 2.85Å; L114-D118 WeakPolarHBondContact O-CB 3.44Å; L114-D118 VanDerWaalsContact O-CG 3.23Å; L114-D118 PolarHBondContact O-N 2.9Å
115	F	73.9	Confident	73.4	Confident	140 Å²	140	81.5 Å²	81.5	61%	0.614	40%	0.401	S	S	*	.	H	α-helix	trans	-62.3	-46	174	178.2	-98.2	0	0	0	111.8	R111 F117 D118 C119	R111-F115 WeakPolarHBondContact O-CB 3.1Å; R111-F115 PolarHBondContact O-N 3.18Å; F115-F117 VanDerWaalsContact C-N 3.3Å; F115-F117 PolarHBondContact O-N 3.26Å; F115-D118 PolarHBondContact O-N 3.47Å; F115-C119 VanDerWaalsContact CZ-SG 3.56Å; F115-C119 WeakPolarHBondContact O-CB 3.41Å; F115-C119 PolarHBondContact O-N 3.06Å; F115-C119 PolarHBondContact O-SG 3.36Å
116	A	73.6	Confident	71.8	Confident	44 Å²	44	83.7 Å²	83.7	36%	0.364	41%	0.414	S	S	.	.	H	α-helix	trans	-62.7	-39	175.8	0	0	0	0	0	111.6	G112 L113 L120	G112-A116 VanDerWaalsContact O-CB 3.29Å; G112-A116 WeakPolarHBondContact O-CB 3.47Å; G112-A116 PolarHBondContact O-N 3.15Å; L113-A116 PolarHBondContact O-N 3.5Å; A116-L120 WeakPolarHBondContact O-CB 3.36Å; A116-L120 WeakPolarHBondContact O-CG 3.46Å; A116-L120 PolarHBondContact O-N 2.85Å
117	F	77.5	Confident	70	Confident	76 Å²	76	82.7 Å²	82.7	33%	0.333	42%	0.421	S	S	.	.	H	α-helix	trans	-62.2	-50.1	174.2	-171.9	-86	0	0	0	111	L77 L82 L113 L114 F115 C119 L120 T121	L77-F117 HydrophobicContact CD1-CE1 4.15Å; L82-F117 HydrophobicContact CB-CD1 4.13Å; L82-F117 HydrophobicContact CB-CE1 4.28Å; L82-F117 HydrophobicContact CD2-CD1 3.74Å; L82-F117 HydrophobicContact CD2-CE1 3.81Å; L82-F117 HydrophobicContact CD2-CG 4.32Å; L82-F117 HydrophobicContact CD2-CZ 4.44Å; L113-F117 WeakPolarHBondContact O-CB 3.5Å; L113-F117 PolarHBondContact O-N 2.88Å; L114-F117 WeakPolarHBondContact O-CB 3.21Å; L114-F117 PolarHBondContact O-N 2.85Å; F115-F117 VanDerWaalsContact C-N 3.3Å; F115-F117 PolarHBondContact O-N 3.26Å; F117-C119 PolarHBondContact O-N 3.49Å; F117-L120 PolarHBondContact O-N 3.46Å; F117-L120 VanDerWaalsContact O-N 3.1Å; F117-T121 HydrophobicContact CD1-CG2 4.08Å; F117-T121 HydrophobicContact CE1-CG2 3.58Å; F117-T121 HydrophobicContact CZ-CG2 3.99Å; F117-T121 PolarHBondContact O-N 3.23Å; F117-T121 PolarHBondContact O-OG1 2.98Å
118	D	70.3	Confident	68.2	Low	8 Å²	8	84.2 Å²	84.2	4%	0.043	44%	0.441	C	S	.	.	H	α-helix	trans	-58	-46.5	178	-70.4	-19.9	0	0	0	110.8	L82 S83 L114 F115 L120 T121 R122	L82-D118 PolarHBondContact N-OD1 2.86Å; S83-D118 WeakPolarHBondContact CB-OD2 3.27Å; S83-D118 PolarHBondContact N-OD2 3.39Å; S83-D118 PolarHBondContact OG-OD2 3.05Å; L114-D118 WeakPolarHBondContact O-CB 3.44Å; L114-D118 VanDerWaalsContact O-CG 3.23Å; L114-D118 PolarHBondContact O-N 2.9Å; F115-D118 PolarHBondContact O-N 3.47Å; D118-L120 PolarHBondContact O-N 3.48Å; D118-T121 VanDerWaalsContact CA-OG1 3.26Å; D118-T121 WeakPolarHBondContact CA-OG1 3.34Å; D118-T121 PolarHBondContact O-N 2.93Å; D118-T121 PolarHBondContact O-OG1 2.65Å; D118-R122 VanDerWaalsContact O-CB 3.3Å; D118-R122 WeakPolarHBondContact O-CB 3.34Å; D118-R122 VanDerWaalsContact O-CG 3.24Å; D118-R122 WeakPolarHBondContact O-CG 3.35Å; D118-R122 PolarHBondContact O-N 2.65Å
119	C	70.1	Confident	66.5	Low	26 Å²	26	83.7 Å²	83.7	18%	0.176	43%	0.431	C	S	.	.	H	α-helix	trans	-60.4	-41.3	174.5	-70.5	0	0	0	0	112.6	F115 F117 R122 R123 D124	F115-C119 VanDerWaalsContact CZ-SG 3.56Å; F115-C119 WeakPolarHBondContact O-CB 3.41Å; F115-C119 PolarHBondContact O-N 3.06Å; F115-C119 PolarHBondContact O-SG 3.36Å; F117-C119 PolarHBondContact O-N 3.49Å; C119-R122 PolarHBondContact O-N 2.81Å; C119-R123 WeakPolarHBondContact O-CA 3.31Å; C119-R123 PolarHBondContact O-N 3.17Å; C119-D124 HydrophobicContact CB-CB 4.27Å; C119-D124 PolarHBondContact O-N 3.46Å
120	L	68.1	Low	64.6	Low	91 Å²	91	82 Å²	82	48%	0.476	43%	0.43	S	S	.	.	H	α-helix	trans	-67.6	-41.2	178	-75.6	169.2	0	0	0	111.8	A116 F117 D118 R122 R123 F125	A116-L120 WeakPolarHBondContact O-CB 3.36Å; A116-L120 WeakPolarHBondContact O-CG 3.46Å; A116-L120 PolarHBondContact O-N 2.85Å; F117-L120 PolarHBondContact O-N 3.46Å; F117-L120 VanDerWaalsContact O-N 3.1Å; D118-L120 PolarHBondContact O-N 3.48Å; L120-R122 VanDerWaalsContact C-N 3.32Å; L120-R123 PolarHBondContact O-N 3.3Å; L120-F125 HydrophobicContact CD2-CD1 3.85Å; L120-F125 HydrophobicContact CD2-CE1 3.71Å
121	T	64.1	Low	62.5	Low	42 Å²	42	89.6 Å²	89.6	26%	0.258	47%	0.465	S	S	.	.	H	α-helix	trans	-68.1	-32.6	175.3	38.5	0	0	0	0	112.5	P74 F117 D118	P74-T121 HydrophobicContact CB-CG2 4.04Å; F117-T121 HydrophobicContact CD1-CG2 4.08Å; F117-T121 HydrophobicContact CE1-CG2 3.58Å; F117-T121 HydrophobicContact CZ-CG2 3.99Å; F117-T121 PolarHBondContact O-N 3.23Å; F117-T121 PolarHBondContact O-OG1 2.98Å; D118-T121 VanDerWaalsContact CA-OG1 3.26Å; D118-T121 WeakPolarHBondContact CA-OG1 3.34Å; D118-T121 PolarHBondContact O-N 2.93Å; D118-T121 PolarHBondContact O-OG1 2.65Å
122	R	60.2	Low	60.8	Low	115 Å²	115	84.9 Å²	84.9	43%	0.434	45%	0.454	S	S	.	.	H	α-helix	trans	-81.7	-12.5	176.1	-73.2	173.8	173	-168.4	-11.4	114.2	D81 D118 C119 L120 D124	D81-R122 IonicContact OD1-CZ 3.63Å; D81-R122 IonicContact OD1-NE 3.49Å; D81-R122 PolarHBondContact OD1-NE 3.47Å; D81-R122 IonicContact OD1-NH2 3.71Å; D81-R122 PolarHBondContact OD1-NH2 3.29Å; D81-R122 IonicContact OD2-CZ 3.51Å; D81-R122 IonicContact OD2-NH2 3.68Å; D81-R122 PolarHBondContact OD2-NH2 3.19Å; D118-R122 VanDerWaalsContact O-CB 3.3Å; D118-R122 WeakPolarHBondContact O-CB 3.34Å; D118-R122 VanDerWaalsContact O-CG 3.24Å; D118-R122 WeakPolarHBondContact O-CG 3.35Å; D118-R122 PolarHBondContact O-N 2.65Å; C119-R122 PolarHBondContact O-N 2.81Å; L120-R122 VanDerWaalsContact C-N 3.32Å; R122-D124 HydrophobicContact CB-CB 4.31Å; R122-D124 VanDerWaalsContact CD-OD2 3.3Å; R122-D124 WeakPolarHBondContact CD-OD2 3.34Å; R122-D124 IonicContact NH1-OD2 2.7Å; R122-D124 PolarHBondContact O-N 3.38Å
123	R	59.7	Low	59.2	Low	125 Å²	125	86.4 Å²	86.4	47%	0.472	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.7	27.1	-168.4	-53.9	-177	176.9	-173	-1.5	113.6	C119 L120 F125 D126	C119-R123 WeakPolarHBondContact O-CA 3.31Å; C119-R123 PolarHBondContact O-N 3.17Å; L120-R123 PolarHBondContact O-N 3.3Å; R123-F125 HydrophobicContact CB-CE1 4.3Å; R123-F125 HydrophobicContact CB-CZ 4.42Å; R123-F125 HydrophobicContact CG-CE1 4.47Å; R123-F125 HydrophobicContact CG-CZ 4.45Å; R123-F125 PolarHBondContact O-N 3.14Å; R123-D126 PolarHBondContact O-N 3.13Å; R123-D126 VanDerWaalsContact O-N 3.1Å
124	D	58.8	Low	57	Low	100 Å²	100	85.8 Å²	85.8	54%	0.535	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	7.2	176.8	-81.6	-16.3	0	0	0	113.5	C119 R122	C119-D124 HydrophobicContact CB-CB 4.27Å; C119-D124 PolarHBondContact O-N 3.46Å; R122-D124 HydrophobicContact CB-CB 4.31Å; R122-D124 VanDerWaalsContact CD-OD2 3.3Å; R122-D124 WeakPolarHBondContact CD-OD2 3.34Å; R122-D124 IonicContact NH1-OD2 2.7Å; R122-D124 PolarHBondContact O-N 3.38Å
125	F	60	Low	54.9	Low	126 Å²	126	93 Å²	93	55%	0.553	48%	0.484	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	-6	173.3	57.4	-94.8	0	0	0	113	L120 R123	L120-F125 HydrophobicContact CD2-CD1 3.85Å; L120-F125 HydrophobicContact CD2-CE1 3.71Å; R123-F125 HydrophobicContact CB-CE1 4.3Å; R123-F125 HydrophobicContact CB-CZ 4.42Å; R123-F125 HydrophobicContact CG-CE1 4.47Å; R123-F125 HydrophobicContact CG-CZ 4.45Å; R123-F125 PolarHBondContact O-N 3.14Å
126	D	48	Very low	52.9	Low	83 Å²	83	91.5 Å²	91.5	44%	0.444	49%	0.486	S	S	.	.	S	Bend	trans	-75.8	133.5	173.4	-76.5	-30.7	0	0	0	110.4	R123 S128	R123-D126 PolarHBondContact O-N 3.13Å; R123-D126 VanDerWaalsContact O-N 3.1Å; D126-S128 PolarHBondContact O-N 2.94Å
127	S	39.9	Very low	51.3	Low	100 Å²	100	93.6 Å²	93.6	70%	0.699	49%	0.491	S	S	*	.			trans	-63	107.5	174.3	49.8	0	0	0	0	109.5	L129	S127-L129 PolarHBondContact O-N 3.33Å
128	S	45.9	Very low	49.3	Very low	114 Å²	114	99.1 Å²	99.1	80%	0.797	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-60.3	119.2	174.4	58.7	0	0	0	0	109.7	D126	D126-S128 PolarHBondContact O-N 2.94Å
129	L	44.8	Very low	48.1	Very low	104 Å²	104	101.6 Å²	101.6	55%	0.545	53%	0.531	S	S	.	.	P	Polyproline II helix	trans	-63.4	141.2	166.5	-73.1	167.4	0	0	0	108.7	S127	S127-L129 PolarHBondContact O-N 3.33Å
130	P	44.4	Very low	47	Very low	80 Å²	80	108.3 Å²	108.3	52%	0.519	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-57.8	145.3	175.2	20.9	-28.6	0	0	0	110.8	V132 L149	P130-V132 PolarHBondContact O-N 3.29Å; P130-L149 HydrophobicContact CG-CD2 3.55Å
131	E	38.6	Very low	46.1	Very low	188 Å²	188	107.8 Å²	107.8	88%	0.879	58%	0.577	S	S	*	*	P	Polyproline II helix	trans	-52.2	129.2	176.2	-73.3	-178.3	166.1	0	0	110.1	P133	E131-P133 VanDerWaalsContact O-CD 3.24Å; E131-P133 WeakPolarHBondContact O-CD 3.37Å
132	V	41.5	Very low	45.7	Very low	54 Å²	54	107.9 Å²	107.9	33%	0.327	58%	0.575	S	S	.	*	P	Polyproline II helix	trans	-70	118.2	179.8	-178.1	0	0	0	0	108	P130 H134 V147	P130-V132 PolarHBondContact O-N 3.29Å; V132-H134 PolarHBondContact O-N 2.91Å; V132-V147 HydrophobicContact CG1-CG2 4.28Å; V132-V147 HydrophobicContact CG2-CG2 4.11Å
133	P	41.8	Very low	45.8	Very low	69 Å²	69	103.7 Å²	103.7	45%	0.448	57%	0.566	S	S	.	*	P	Polyproline II helix	trans	-60.5	133.2	174.2	-21.6	34	0	0	0	110.4	E131 E135	E131-P133 VanDerWaalsContact O-CD 3.24Å; E131-P133 WeakPolarHBondContact O-CD 3.37Å; P133-E135 PolarHBondContact O-N 3.4Å
134	H	35.8	Very low	46.3	Very low	97 Å²	97	98.5 Å²	98.5	45%	0.449	55%	0.547	S	S	.	.			trans	-71.3	89.7	176	-79.8	-72.5	0	0	0	110.8	V132 F247	V132-H134 PolarHBondContact O-N 2.91Å; H134-F247 PolarHBondContact CE1-O 3.29Å; H134-F247 PolarHBondContact NE2-O 3.09Å
135	E	36.3	Very low	46.8	Very low	170 Å²	170	96.4 Å²	96.4	79%	0.794	53%	0.532	S	S	*	.			trans	-120.9	107.5	156.1	-68.8	-169	169.1	0	0	107.6	P133 D137	P133-E135 PolarHBondContact O-N 3.4Å; E135-D137 PolarHBondContact O-N 3.45Å
136	V	32.2	Very low	47.5	Very low	110 Å²	110	91.4 Å²	91.4	67%	0.667	51%	0.511	S	S	*	.			trans	-83.9	104.4	179.7	-166.9	0	0	0	0	107
137	D	38.3	Very low	48.3	Very low	88 Å²	88	88.7 Å²	88.7	47%	0.471	50%	0.497	S	S	.	.			trans	-111.5	123.2	168.6	-80.8	-30.3	0	0	0	108.6	E135 D139 T192	E135-D137 PolarHBondContact O-N 3.45Å; D137-D139 PolarHBondContact O-N 3.14Å; D137-T192 HydrophobicContact CB-CG2 3.96Å; D137-T192 WeakPolarHBondContact OD2-CG2 3.45Å
138	E	36.7	Very low	50.1	Low	192 Å²	192	89 Å²	89	90%	0.897	48%	0.483	S	S	*	.			trans	-70.3	79	-179.9	-60.8	175.2	164.5	0	0	111.1
139	D	45.6	Very low	50.9	Low	60 Å²	60	85.6 Å²	85.6	32%	0.321	46%	0.456	S	S	.	.			trans	-125.9	124.9	174.1	-75.2	-39.5	0	0	0	112.5	D137 V195	D137-D139 PolarHBondContact O-N 3.14Å; D139-V195 HydrophobicContact CB-CG1 3.85Å
140	E	46.6	Very low	51.5	Low	167 Å²	167	88.6 Å²	88.6	78%	0.78	47%	0.467	S	S	*	.			trans	-66.7	134.4	-167.3	-59	178.6	152.4	0	0	115.2	L142	E140-L142 PolarHBondContact O-N 3.11Å
141	G	49.8	Very low	52.1	Low	80 Å²	80	94.1 Å²	94.1	83%	0.825	49%	0.486	S	S	*	.			trans	81.8	13.2	136.6	0	0	0	0	0	119.4
142	L	53.9	Low	53.5	Low	43 Å²	43	89.9 Å²	89.9	23%	0.225	47%	0.469	C	S	.	.			trans	-84.5	125.5	-175.7	-130.2	116.2	0	0	0	113.4	E140 V144 V195 L198	E140-L142 PolarHBondContact O-N 3.11Å; L142-V144 HydrophobicContact CD2-CB 4.27Å; L142-V144 WeakPolarHBondContact CD2-O 3.19Å; L142-V144 PolarHBondContact O-N 2.85Å; L142-V195 HydrophobicContact CD1-CB 4.22Å; L142-V195 HydrophobicContact CD1-CG1 3.82Å; L142-V195 HydrophobicContact CD1-CG2 4.18Å; L142-L198 HydrophobicContact CD1-CB 3.9Å; L142-L198 HydrophobicContact CD1-CD1 3.76Å; L142-L198 HydrophobicContact CD1-CG 4.47Å; L142-L198 HydrophobicContact CD2-CD1 3.45Å; L142-L198 VanDerWaalsContact CD2-CD1 3.45Å; L142-L198 HydrophobicContact CG-CD1 4.08Å
143	A	62.9	Low	54.8	Low	28 Å²	28	87.8 Å²	87.8	23%	0.231	46%	0.458	C	S	.	.	S	Bend	trans	-68	1.4	179.5	0	0	0	0	0	115	I161	A143-I161 PolarHBondContact O-N 3.3Å
144	V	69.4	Low	56.6	Low	15 Å²	15	84.6 Å²	84.6	9%	0.091	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	133.3	-175.4	-174.4	0	0	0	0	108.4	L142 I146 I157 A166 L172	L142-V144 HydrophobicContact CD2-CB 4.27Å; L142-V144 WeakPolarHBondContact CD2-O 3.19Å; L142-V144 PolarHBondContact O-N 2.85Å; V144-I146 HydrophobicContact CG1-CG1 4.31Å; V144-I157 HydrophobicContact CG1-CB 4.34Å; V144-I157 HydrophobicContact CG1-CD1 4.25Å; V144-I157 HydrophobicContact CG1-CG1 4.14Å; V144-I157 HydrophobicContact CG1-CG2 3.51Å; V144-A166 HydrophobicContact CG2-CB 3.18Å; V144-L172 HydrophobicContact CG2-CD1 3.94Å
145	R	70.2	Confident	58.9	Low	57 Å²	57	80 Å²	80	22%	0.215	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.1	172.3	-172.3	173.2	-176.8	147.5	8.7	110.5	V147 A158 R159 P250 C251	R145-V147 HydrophobicContact CG-CG2 4.49Å; R145-A158 PolarHBondContact O-N 3.14Å; R145-R159 HydrophobicContact CB-CB 4.28Å; R145-R159 PolarHBondContact N-O 3.44Å; R145-R159 PolarHBondContact O-N 3.32Å; R145-P250 PolarHBondContact NH1-O 3.39Å; R145-P250 PolarHBondContact NH2-O 2.9Å; R145-C251 PolarHBondContact NH1-SG 3.26Å
146	I	74.7	Confident	61.3	Low	20 Å²	20	73.2 Å²	73.2	10%	0.103	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	128.3	178.6	-58.3	173.7	0	0	0	108.2	V144 L155 I156 V178 V194	V144-I146 HydrophobicContact CG1-CG1 4.31Å; I146-L155 HydrophobicContact CG2-CB 3.82Å; I146-L155 HydrophobicContact CG2-CD2 4.04Å; I146-L155 HydrophobicContact CG2-CG 4.4Å; I146-I156 CarbonylContact C-O 3.57Å; I146-I156 WeakPolarHBondContact CA-O 3.46Å; I146-V178 HydrophobicContact CD1-CG2 4.44Å; I146-V194 HydrophobicContact CD1-CB 4.28Å; I146-V194 HydrophobicContact CD1-CG1 3.59Å
147	V	66	Low	63.8	Low	27 Å²	27	68 Å²	68	16%	0.164	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	144.5	177.6	178.3	0	0	0	0	108.7	V132 R145 I156 A158	V132-V147 HydrophobicContact CG1-CG2 4.28Å; V132-V147 HydrophobicContact CG2-CG2 4.11Å; R145-V147 HydrophobicContact CG-CG2 4.49Å; V147-I156 PolarHBondContact N-O 2.87Å; V147-I156 PolarHBondContact O-N 3.09Å; V147-A158 HydrophobicContact CB-CB 4.04Å; V147-A158 HydrophobicContact CG2-CB 3.44Å; V147-A158 VanDerWaalsContact CG2-CB 3.44Å
148	R	76	Confident	65.7	Low	106 Å²	106	64.9 Å²	64.9	40%	0.4	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.3	173.9	-171.6	179.9	-176	-162	0.8	109.4	A154 L155 G188 P191	R148-A154 WeakPolarHBondContact CA-O 3.44Å; R148-L155 HydrophobicContact CB-CD2 3.89Å; R148-L155 HydrophobicContact CG-CD2 4.19Å; R148-G188 PolarHBondContact NH2-O 3.2Å; R148-P191 HydrophobicContact CB-CG 4.1Å
149	L	62.3	Low	67.6	Low	42 Å²	42	57.3 Å²	57.3	22%	0.22	30%	0.303	C	S	.	.			trans	-74.2	127.2	169.1	-79.3	176.5	0	0	0	110.2	P130 Q151 N152 G153 A154 I156	P130-L149 HydrophobicContact CG-CD2 3.55Å; L149-Q151 VanDerWaalsContact C-N 3.3Å; L149-Q151 PolarHBondContact O-N 3.2Å; L149-N152 VanDerWaalsContact CB-OD1 3.3Å; L149-N152 WeakPolarHBondContact CB-OD1 3.41Å; L149-G153 VanDerWaalsContact O-CA 3.24Å; L149-G153 WeakPolarHBondContact O-CA 3.08Å; L149-G153 PolarHBondContact O-N 2.89Å; L149-A154 PolarHBondContact N-O 3.43Å; L149-I156 HydrophobicContact CD1-CD1 3.21Å; L149-I156 HydrophobicContact CD1-CG1 4.07Å; L149-I156 HydrophobicContact CG-CD1 3.79Å; L149-I156 HydrophobicContact CG-CG1 4.33Å
150	E	57.5	Low	69.2	Low	167 Å²	167	55.3 Å²	55.3	78%	0.78	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	-34.2	178.7	-64	-168.3	153.2	0	0	112.9	N152	E150-N152 VanDerWaalsContact C-N 3.35Å; E150-N152 PolarHBondContact O-N 3.45Å
151	Q	58.7	Low	70.6	Confident	196 Å²	196	48.8 Å²	48.8	92%	0.916	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.3	-29.2	-170.5	-63.6	-176.8	0.7	0	0	113.9	L149	L149-Q151 VanDerWaalsContact C-N 3.3Å; L149-Q151 PolarHBondContact O-N 3.2Å
152	N	66.4	Low	71.8	Confident	100 Å²	100	49.4 Å²	49.4	54%	0.535	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-137.7	0.2	-175.6	60.2	5	0	0	0	113.7	L149 E150 A154	L149-N152 VanDerWaalsContact CB-OD1 3.3Å; L149-N152 WeakPolarHBondContact CB-OD1 3.41Å; E150-N152 VanDerWaalsContact C-N 3.35Å; E150-N152 PolarHBondContact O-N 3.45Å; N152-A154 PolarHBondContact O-N 3.04Å; N152-A154 WeakPolarHBondContact OD1-CB 3.38Å; N152-A154 PolarHBondContact OD1-N 3.2Å
153	G	70.6	Confident	72.6	Confident	9 Å²	9	49.4 Å²	49.4	9%	0.093	25%	0.251	C	S	.	.			trans	65.4	13.9	-176.6	0	0	0	0	0	114.1	L149 G188	L149-G153 VanDerWaalsContact O-CA 3.24Å; L149-G153 WeakPolarHBondContact O-CA 3.08Å; L149-G153 PolarHBondContact O-N 2.89Å; G153-G188 PolarHBondContact O-N 3.13Å
154	A	79.8	Confident	72.9	Confident	2 Å²	2	48.7 Å²	48.7	2%	0.017	25%	0.246	C	C	.	.			trans	-71.9	140.2	177.8	0	0	0	0	0	110.8	R148 L149 N152 Q177	R148-A154 WeakPolarHBondContact CA-O 3.44Å; L149-A154 PolarHBondContact N-O 3.43Å; N152-A154 PolarHBondContact O-N 3.04Å; N152-A154 WeakPolarHBondContact OD1-CB 3.38Å; N152-A154 PolarHBondContact OD1-N 3.2Å; A154-Q177 HydrophobicContact CB-CG 4.06Å; A154-Q177 VanDerWaalsContact CB-NE2 3.3Å
155	L	84.1	Confident	73.2	Confident	1 Å²	1	53 Å²	53	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	125.5	172.9	-67.8	174	0	0	0	109	I146 R148 Q177 V178 V186 P191 V194	I146-L155 HydrophobicContact CG2-CB 3.82Å; I146-L155 HydrophobicContact CG2-CD2 4.04Å; I146-L155 HydrophobicContact CG2-CG 4.4Å; R148-L155 HydrophobicContact CB-CD2 3.89Å; R148-L155 HydrophobicContact CG-CD2 4.19Å; L155-Q177 CarbonylContact O-C 3.51Å; L155-Q177 WeakPolarHBondContact O-CA 3.37Å; L155-Q177 WeakPolarHBondContact O-CG 3.34Å; L155-V178 HydrophobicContact CB-CB 4.29Å; L155-V178 PolarHBondContact O-N 3.37Å; L155-V186 HydrophobicContact CD1-CB 3.93Å; L155-V186 HydrophobicContact CD1-CG2 3.99Å; L155-V186 WeakPolarHBondContact CD1-O 3.23Å; L155-P191 HydrophobicContact CD2-CB 4.48Å; L155-P191 HydrophobicContact CD2-CG 3.82Å; L155-V194 HydrophobicContact CD1-CG2 3.49Å; L155-V194 VanDerWaalsContact CD1-CG2 3.49Å
156	I	84.9	Confident	73.7	Confident	27 Å²	27	50.7 Å²	50.7	14%	0.138	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138.5	-179	-64.4	-169	0	0	0	109.4	I146 V147 L149 A158 D176 Q177	I146-I156 CarbonylContact C-O 3.57Å; I146-I156 WeakPolarHBondContact CA-O 3.46Å; V147-I156 PolarHBondContact N-O 2.87Å; V147-I156 PolarHBondContact O-N 3.09Å; L149-I156 HydrophobicContact CD1-CD1 3.21Å; L149-I156 HydrophobicContact CD1-CG1 4.07Å; L149-I156 HydrophobicContact CG-CD1 3.79Å; L149-I156 HydrophobicContact CG-CG1 4.33Å; I156-A158 PolarHBondContact O-N 2.93Å; I156-A158 VanDerWaalsContact O-N 3.11Å; I156-D176 CarbonylContact C-O 3.51Å; I156-D176 WeakPolarHBondContact CA-O 3.3Å; I156-Q177 HydrophobicContact CG1-CB 4.36Å
157	I	84.7	Confident	73.8	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	104.5	168	-61.5	-175.6	0	0	0	107.8	V144 I160 L172 S174 G175 D176 V178	V144-I157 HydrophobicContact CG1-CB 4.34Å; V144-I157 HydrophobicContact CG1-CD1 4.25Å; V144-I157 HydrophobicContact CG1-CG1 4.14Å; V144-I157 HydrophobicContact CG1-CG2 3.51Å; I157-I160 HydrophobicContact CG2-CD1 4.32Å; I157-I160 HydrophobicContact CG2-CG1 3.86Å; I157-L172 HydrophobicContact CD1-CB 3.94Å; I157-L172 HydrophobicContact CD1-CD1 4.05Å; I157-L172 HydrophobicContact CD1-CD2 3.85Å; I157-L172 HydrophobicContact CD1-CG 4.16Å; I157-S174 CarbonylContact O-C 3.49Å; I157-S174 WeakPolarHBondContact O-CA 3.11Å; I157-G175 PolarHBondContact O-N 3.4Å; I157-D176 HydrophobicContact CB-CB 4.47Å; I157-D176 HydrophobicContact CD1-CB 4.07Å; I157-D176 HydrophobicContact CG1-CB 4.37Å; I157-D176 PolarHBondContact N-O 3.43Å; I157-V178 HydrophobicContact CD1-CG2 4.35Å; I157-V178 HydrophobicContact CG1-CG2 3.86Å
158	A	78.4	Confident	74.1	Confident	22 Å²	22	59 Å²	59	18%	0.182	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-37.8	-179.1	0	0	0	0	0	111.9	R145 V147 I156	R145-A158 PolarHBondContact O-N 3.14Å; V147-A158 HydrophobicContact CB-CB 4.04Å; V147-A158 HydrophobicContact CG2-CB 3.44Å; V147-A158 VanDerWaalsContact CG2-CB 3.44Å; I156-A158 PolarHBondContact O-N 2.93Å; I156-A158 VanDerWaalsContact O-N 3.11Å
159	R	78	Confident	74.4	Confident	33 Å²	33	55.9 Å²	55.9	13%	0.125	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.8	147.3	-178.3	-169.3	177.3	-73.5	165.6	4.7	112	R145 D271	R145-R159 HydrophobicContact CB-CB 4.28Å; R145-R159 PolarHBondContact N-O 3.44Å; R145-R159 PolarHBondContact O-N 3.32Å; R159-D271 IonicContact CZ-OD2 3.56Å; R159-D271 IonicContact NE-OD2 3.88Å; R159-D271 IonicContact NH2-OD1 3.81Å; R159-D271 PolarHBondContact NH2-OD1 3.37Å; R159-D271 IonicContact NH2-OD2 2.59Å; R159-D271 PolarHBondContact NH2-OD2 2.85Å
160	I	78.5	Confident	75.2	Confident	19 Å²	19	56.6 Å²	56.6	10%	0.097	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	130.6	173.3	-59.6	176.5	0	0	0	108.9	I157 A166 D167 L172 Q276	I157-I160 HydrophobicContact CG2-CD1 4.32Å; I157-I160 HydrophobicContact CG2-CG1 3.86Å; I160-A166 HydrophobicContact CG2-CB 4.07Å; I160-D167 HydrophobicContact CG2-CB 3.88Å; I160-L172 HydrophobicContact CD1-CB 3.86Å; I160-L172 WeakPolarHBondContact CD1-O 3.35Å; I160-Q276 PolarHBondContact O-NE2 2.87Å
161	I	76.3	Confident	76.5	Confident	29 Å²	29	51.8 Å²	51.8	15%	0.149	29%	0.292	C	S	.	.			trans	-81.6	124.1	178.5	-57	179.4	0	0	0	109.6	A143 G164 D167 A254 V288	A143-I161 PolarHBondContact O-N 3.3Å; I161-G164 PolarHBondContact O-N 2.93Å; I161-G164 VanDerWaalsContact O-N 3.1Å; I161-D167 WeakPolarHBondContact O-CB 3.17Å; I161-A254 HydrophobicContact CD1-CB 3.9Å; I161-V288 HydrophobicContact CG2-CB 4.37Å
162	R	75	Confident	77.8	Confident	93 Å²	93	43.1 Å²	43.1	35%	0.351	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	138.7	178.2	-68.1	-60.3	-173.1	156.2	5.6	111.2	G164 D167 D268 V288	R162-G164 PolarHBondContact O-N 3.43Å; R162-D167 WeakPolarHBondContact CA-OD2 3.36Å; R162-D167 IonicContact NH1-OD1 3.6Å; R162-D268 HydrophobicContact CG-CB 3.9Å; R162-D268 IonicContact CZ-OD2 3.3Å; R162-D268 VanDerWaalsContact CZ-OD2 3.3Å; R162-D268 IonicContact NE-OD2 2.77Å; R162-D268 PolarHBondContact NE-OD2 3.09Å; R162-D268 IonicContact NH2-OD2 2.92Å; R162-D268 PolarHBondContact NH2-OD2 2.87Å; R162-V288 HydrophobicContact CB-CG1 4.29Å; R162-V288 WeakPolarHBondContact O-CB 3.45Å; R162-V288 WeakPolarHBondContact O-CG2 3.27Å
163	G	70.7	Confident	78.5	Confident	44 Å²	44	42.9 Å²	42.9	45%	0.454	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	72	4.3	-175.4	0	0	0	0	0	114	D167 R168	G163-D167 PolarHBondContact N-OD2 2.82Å; G163-R168 PolarHBondContact O-NH1 3.27Å
164	G	69.7	Low	79.1	Confident	13 Å²	13	45.5 Å²	45.5	13%	0.134	27%	0.268	C	S	.	.	S	Bend	trans	-75	173.4	168.9	0	0	0	0	0	113.1	I161 R162 A166 R168	I161-G164 PolarHBondContact O-N 2.93Å; I161-G164 VanDerWaalsContact O-N 3.1Å; R162-G164 PolarHBondContact O-N 3.43Å; G164-A166 VanDerWaalsContact C-N 3.3Å; G164-A166 PolarHBondContact O-N 3.46Å; G164-R168 WeakPolarHBondContact O-CB 3.43Å; G164-R168 WeakPolarHBondContact O-CG 3.43Å; G164-R168 PolarHBondContact O-N 2.8Å; G164-R168 VanDerWaalsContact O-N 3.1Å
165	V	73.9	Confident	79.2	Confident	104 Å²	104	46.6 Å²	46.6	63%	0.63	28%	0.279	S	S	*	.	H	α-helix	trans	-64	-38.4	174.6	178.7	0	0	0	0	111.1	S169	V165-S169 WeakPolarHBondContact O-CB 3.37Å; V165-S169 PolarHBondContact O-N 3.07Å
166	A	81.3	Confident	79.3	Confident	9 Å²	9	46.8 Å²	46.8	7%	0.074	28%	0.28	C	S	.	.	H	α-helix	trans	-63.5	-50.3	178.1	0	0	0	0	0	112.5	V144 I160 G164 R168 S169 G170 L172	V144-A166 HydrophobicContact CG2-CB 3.18Å; I160-A166 HydrophobicContact CG2-CB 4.07Å; G164-A166 VanDerWaalsContact C-N 3.3Å; G164-A166 PolarHBondContact O-N 3.46Å; A166-R168 PolarHBondContact O-N 2.86Å; A166-S169 WeakPolarHBondContact O-CB 3.18Å; A166-S169 PolarHBondContact O-N 2.91Å; A166-S169 VanDerWaalsContact O-N 3.15Å; A166-S169 PolarHBondContact O-OG 3.31Å; A166-G170 PolarHBondContact O-N 3.34Å; A166-L172 HydrophobicContact CB-CD1 3.93Å
167	D	76.7	Confident	79.5	Confident	50 Å²	50	47.7 Å²	47.7	27%	0.267	28%	0.284	S	S	.	.	H	α-helix	trans	-58.4	-49.5	176.3	179.6	51.8	0	0	0	111.2	I160 I161 R162 G163 S169 G170	I160-D167 HydrophobicContact CG2-CB 3.88Å; I161-D167 WeakPolarHBondContact O-CB 3.17Å; R162-D167 WeakPolarHBondContact CA-OD2 3.36Å; R162-D167 IonicContact NH1-OD1 3.6Å; G163-D167 PolarHBondContact N-OD2 2.82Å; D167-S169 PolarHBondContact O-N 2.93Å; D167-G170 PolarHBondContact O-N 2.83Å
168	R	73.4	Confident	79.7	Confident	173 Å²	173	47.7 Å²	47.7	65%	0.653	28%	0.284	S	S	*	.	H	α-helix	trans	-62.8	-25.4	177.7	-72.2	-168.1	-59.6	-95.5	-6.7	114.1	G163 G164 A166 G170	G163-R168 PolarHBondContact O-NH1 3.27Å; G164-R168 WeakPolarHBondContact O-CB 3.43Å; G164-R168 WeakPolarHBondContact O-CG 3.43Å; G164-R168 PolarHBondContact O-N 2.8Å; G164-R168 VanDerWaalsContact O-N 3.1Å; A166-R168 PolarHBondContact O-N 2.86Å; R168-G170 VanDerWaalsContact C-N 3.34Å
169	S	81.2	Confident	80.3	Confident	39 Å²	39	48 Å²	48	27%	0.273	28%	0.282	S	S	.	.	H	α-helix	trans	-74.6	-27.1	177.5	77.9	0	0	0	0	112.3	V165 A166 D167 C171	V165-S169 WeakPolarHBondContact O-CB 3.37Å; V165-S169 PolarHBondContact O-N 3.07Å; A166-S169 WeakPolarHBondContact O-CB 3.18Å; A166-S169 PolarHBondContact O-N 2.91Å; A166-S169 VanDerWaalsContact O-N 3.15Å; A166-S169 PolarHBondContact O-OG 3.31Å; D167-S169 PolarHBondContact O-N 2.93Å; S169-C171 PolarHBondContact O-N 2.76Å; S169-C171 PolarHBondContact O-SG 3.42Å; S169-C171 PolarHBondContact OG-N 2.75Å
170	G	80.4	Confident	80.9	Confident	58 Å²	58	48.9 Å²	48.9	60%	0.598	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.3	11.4	-171.3	0	0	0	0	0	114.4	A166 D167 R168	A166-G170 PolarHBondContact O-N 3.34Å; D167-G170 PolarHBondContact O-N 2.83Å; R168-G170 VanDerWaalsContact C-N 3.34Å
171	C	83.1	Confident	81.3	Confident	66 Å²	66	48 Å²	48	45%	0.446	28%	0.283	S	S	.	.			trans	-92.6	-13.3	-173.6	-65.9	0	0	0	0	113.2	S169	S169-C171 PolarHBondContact O-N 2.76Å; S169-C171 PolarHBondContact O-SG 3.42Å; S169-C171 PolarHBondContact OG-N 2.75Å
172	L	86	Confident	81.9	Confident	14 Å²	14	49.5 Å²	49.5	7%	0.073	29%	0.292	C	S	.	.			trans	-119.2	141.3	-179.6	-58.1	-177.6	0	0	0	108.9	V144 I157 I160 A166 F207 L209	V144-L172 HydrophobicContact CG2-CD1 3.94Å; I157-L172 HydrophobicContact CD1-CB 3.94Å; I157-L172 HydrophobicContact CD1-CD1 4.05Å; I157-L172 HydrophobicContact CD1-CD2 3.85Å; I157-L172 HydrophobicContact CD1-CG 4.16Å; I160-L172 HydrophobicContact CD1-CB 3.86Å; I160-L172 WeakPolarHBondContact CD1-O 3.35Å; A166-L172 HydrophobicContact CB-CD1 3.93Å; L172-F207 HydrophobicContact CD1-CE2 4.24Å; L172-F207 HydrophobicContact CD2-CB 4.44Å; L172-F207 HydrophobicContact CD2-CD2 4.22Å; L172-F207 HydrophobicContact CD2-CG 4.27Å; L172-L209 HydrophobicContact CD2-CD1 3.35Å; L172-L209 HydrophobicContact CD2-CG 4.5Å
173	N	82.4	Confident	82.4	Confident	94 Å²	94	48.1 Å²	48.1	50%	0.503	31%	0.306	S	S	.	.			trans	-125.6	151.4	171.5	-60.2	-66.3	0	0	0	110.9	G175 D176	N173-G175 PolarHBondContact O-N 2.85Å; N173-D176 PolarHBondContact N-OD2 3.44Å; N173-D176 WeakPolarHBondContact O-CB 3.46Å; N173-D176 VanDerWaalsContact O-CG 3.28Å; N173-D176 PolarHBondContact O-N 3.3Å; N173-D176 VanDerWaalsContact O-N 3.14Å
174	S	82.1	Confident	83.3	Confident	65 Å²	65	48.5 Å²	48.5	46%	0.455	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	134.3	165.8	-58	0	0	0	0	109.5	I157	I157-S174 CarbonylContact O-C 3.49Å; I157-S174 WeakPolarHBondContact O-CA 3.11Å
175	G	82.2	Confident	84.3	Confident	24 Å²	24	51.8 Å²	51.8	25%	0.247	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	94	-11.6	-173.6	0	0	0	0	0	114.7	I157 N173 Q177	I157-G175 PolarHBondContact O-N 3.4Å; N173-G175 PolarHBondContact O-N 2.85Å; G175-Q177 PolarHBondContact O-N 2.85Å
176	D	86.9	Confident	84.9	Confident	5 Å²	5	46.9 Å²	46.9	3%	0.027	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-65.7	130.5	177	-72.5	-13.4	0	0	0	110.6	I156 I157 N173 L209 P211 A212	I156-D176 CarbonylContact C-O 3.51Å; I156-D176 WeakPolarHBondContact CA-O 3.3Å; I157-D176 HydrophobicContact CB-CB 4.47Å; I157-D176 HydrophobicContact CD1-CB 4.07Å; I157-D176 HydrophobicContact CG1-CB 4.37Å; I157-D176 PolarHBondContact N-O 3.43Å; N173-D176 PolarHBondContact N-OD2 3.44Å; N173-D176 WeakPolarHBondContact O-CB 3.46Å; N173-D176 VanDerWaalsContact O-CG 3.28Å; N173-D176 PolarHBondContact O-N 3.3Å; N173-D176 VanDerWaalsContact O-N 3.14Å; D176-L209 HydrophobicContact CB-CD1 4.43Å; D176-P211 WeakPolarHBondContact OD1-CA 3.35Å; D176-A212 PolarHBondContact OD1-N 3.33Å
177	Q	88.7	Confident	85.1	Confident	47 Å²	47	49.8 Å²	49.8	22%	0.22	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	124.9	176.7	-178.7	-175.5	-9.2	0	0	110.4	A154 L155 I156 G175 I179 L209 I210	A154-Q177 HydrophobicContact CB-CG 4.06Å; A154-Q177 VanDerWaalsContact CB-NE2 3.3Å; L155-Q177 CarbonylContact O-C 3.51Å; L155-Q177 WeakPolarHBondContact O-CA 3.37Å; L155-Q177 WeakPolarHBondContact O-CG 3.34Å; I156-Q177 HydrophobicContact CG1-CB 4.36Å; G175-Q177 PolarHBondContact O-N 2.85Å; Q177-I179 HydrophobicContact CG-CD1 4.02Å; Q177-L209 CarbonylContact O-C 3.57Å; Q177-L209 WeakPolarHBondContact O-CA 3.39Å; Q177-I210 HydrophobicContact CB-CB 4.14Å; Q177-I210 PolarHBondContact N-O 3.44Å; Q177-I210 PolarHBondContact O-N 3.49Å
178	V	88.9	Confident	85.3	Confident	1 Å²	1	49.4 Å²	49.4	1%	0.006	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	120.6	-179	-167.7	0	0	0	0	110.6	I146 L155 I157 V181 V186 F207 L209	I146-V178 HydrophobicContact CD1-CG2 4.44Å; L155-V178 HydrophobicContact CB-CB 4.29Å; L155-V178 PolarHBondContact O-N 3.37Å; I157-V178 HydrophobicContact CD1-CG2 4.35Å; I157-V178 HydrophobicContact CG1-CG2 3.86Å; V178-V181 HydrophobicContact CG1-CG2 3.64Å; V178-V186 HydrophobicContact CB-CG2 4.22Å; V178-V186 HydrophobicContact CG1-CG2 3.69Å; V178-F207 HydrophobicContact CG1-CD1 4.01Å; V178-F207 HydrophobicContact CG1-CE1 4.44Å; V178-L209 HydrophobicContact CB-CD2 4.22Å; V178-L209 HydrophobicContact CG1-CD2 4.24Å; V178-L209 HydrophobicContact CG2-CD2 3.94Å
179	I	90	Very high	85.8	Confident	29 Å²	29	44.5 Å²	44.5	15%	0.149	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	-46.4	-178.8	-54.2	-59.2	0	0	0	111.5	Q177 V186 V187 K208 I210	Q177-I179 HydrophobicContact CG-CD1 4.02Å; I179-V186 WeakPolarHBondContact O-CG2 3.34Å; I179-V186 PolarHBondContact O-N 3.1Å; I179-V187 HydrophobicContact CD1-CG2 4.06Å; I179-V187 HydrophobicContact CG2-CG2 3.99Å; I179-K208 WeakPolarHBondContact CB-O 3.17Å; I179-K208 PolarHBondContact N-O 3.11Å; I179-I210 HydrophobicContact CD1-CD1 3.71Å; I179-I210 HydrophobicContact CD1-CG1 3.95Å; I179-I210 HydrophobicContact CG1-CD1 4.1Å; I179-I210 HydrophobicContact CG1-CG1 3.8Å
180	E	90.6	Very high	85.9	Confident	51 Å²	51	49 Å²	49	24%	0.238	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	144.3	177.1	-64.5	160.3	-152.6	0	0	111	V184 N185 F207 K208	E180-V184 CarbonylContact C-O 3.56Å; E180-V184 WeakPolarHBondContact CA-O 3.49Å; E180-N185 HydrophobicContact CG-CB 4.3Å; E180-F207 WeakPolarHBondContact O-CA 3.35Å; E180-K208 HydrophobicContact CB-CB 3.78Å; E180-K208 HydrophobicContact CB-CD 4.32Å; E180-K208 HydrophobicContact CG-CB 4.4Å; E180-K208 HydrophobicContact CG-CD 4.1Å; E180-K208 PolarHBondContact N-O 2.9Å; E180-K208 PolarHBondContact O-N 3.43Å; E180-K208 WeakPolarHBondContact OE1-CD 3.3Å; E180-K208 IonicContact OE1-NZ 2.79Å; E180-K208 PolarHBondContact OE1-NZ 2.77Å; E180-K208 VanDerWaalsContact OE2-CD 3.28Å; E180-K208 WeakPolarHBondContact OE2-CD 3.17Å; E180-K208 IonicContact OE2-NZ 3.61Å
181	V	88.8	Confident	86.1	Confident	0 Å²	0	48 Å²	48	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	119.6	172	-178.8	0	0	0	0	108	V178 G183 V184 V186 V194 L198 V205 T206 F207	V178-V181 HydrophobicContact CG1-CG2 3.64Å; V181-G183 PolarHBondContact O-N 2.9Å; V181-V184 PolarHBondContact N-O 3.39Å; V181-V184 WeakPolarHBondContact O-CB 3.44Å; V181-V184 PolarHBondContact O-N 3.13Å; V181-V186 HydrophobicContact CB-CG1 4.24Å; V181-V186 HydrophobicContact CG2-CG1 4.02Å; V181-V186 HydrophobicContact CG2-CG2 4.34Å; V181-V194 HydrophobicContact CG2-CG1 4.03Å; V181-L198 HydrophobicContact CG1-CD2 3.65Å; V181-L198 HydrophobicContact CG1-CG 4.34Å; V181-V205 HydrophobicContact CG1-CG1 4.12Å; V181-T206 CarbonylContact C-O 3.6Å; V181-T206 WeakPolarHBondContact CA-O 3.24Å; V181-F207 HydrophobicContact CG1-CE1 4.35Å; V181-F207 HydrophobicContact CG2-CD1 3.84Å; V181-F207 HydrophobicContact CG2-CE1 3.79Å
182	N	87.8	Confident	86	Confident	61 Å²	61	45.8 Å²	45.8	33%	0.326	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	40.3	-176.3	-66.1	-24.5	0	0	0	113.6	V184 S201 V205 T206	N182-V184 PolarHBondContact O-N 3.14Å; N182-S201 VanDerWaalsContact ND2-CB 3.26Å; N182-S201 WeakPolarHBondContact ND2-CB 3.48Å; N182-V205 WeakPolarHBondContact OD1-CA 3.45Å; N182-T206 PolarHBondContact N-O 2.95Å; N182-T206 PolarHBondContact OD1-N 3.37Å
183	G	86.3	Confident	86	Confident	64 Å²	64	47.2 Å²	47.2	66%	0.66	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	-0.9	-178.7	0	0	0	0	0	114.9	V181	V181-G183 PolarHBondContact O-N 2.9Å
184	V	89	Confident	86.1	Confident	52 Å²	52	42.8 Å²	42.8	32%	0.315	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	121.6	174.8	-178.5	0	0	0	0	109	E180 V181 N182 V186 K189 L197	E180-V184 CarbonylContact C-O 3.56Å; E180-V184 WeakPolarHBondContact CA-O 3.49Å; V181-V184 PolarHBondContact N-O 3.39Å; V181-V184 WeakPolarHBondContact O-CB 3.44Å; V181-V184 PolarHBondContact O-N 3.13Å; N182-V184 PolarHBondContact O-N 3.14Å; V184-V186 PolarHBondContact O-N 2.79Å; V184-K189 VanDerWaalsContact CG1-NZ 3.29Å; V184-L197 HydrophobicContact CB-CD1 4.23Å; V184-L197 HydrophobicContact CB-CD2 4.4Å; V184-L197 HydrophobicContact CG1-CD1 4.04Å; V184-L197 HydrophobicContact CG1-CD2 4.38Å; V184-L197 HydrophobicContact CG2-CD2 4.19Å
185	N	90.4	Very high	86	Confident	82 Å²	82	40.9 Å²	40.9	44%	0.439	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	128.4	172.6	-170.7	-50.9	0	0	0	110.3	E180 V187 K189	E180-N185 HydrophobicContact CG-CB 4.3Å; N185-V187 VanDerWaalsContact OD1-CB 3.26Å; N185-V187 WeakPolarHBondContact OD1-CB 3.29Å; N185-V187 WeakPolarHBondContact OD1-CG2 3.48Å; N185-V187 PolarHBondContact OD1-N 3.29Å; N185-K189 VanDerWaalsContact O-CE 3.28Å; N185-K189 WeakPolarHBondContact O-CE 3.27Å
186	V	87.2	Confident	86	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	25%	0.252	C	S	.	.			trans	-112.8	3.6	-178.2	-60	0	0	0	0	113.1	L155 V178 I179 V181 V184 G188 K189 V194 L197	L155-V186 HydrophobicContact CD1-CB 3.93Å; L155-V186 HydrophobicContact CD1-CG2 3.99Å; L155-V186 WeakPolarHBondContact CD1-O 3.23Å; V178-V186 HydrophobicContact CB-CG2 4.22Å; V178-V186 HydrophobicContact CG1-CG2 3.69Å; I179-V186 WeakPolarHBondContact O-CG2 3.34Å; I179-V186 PolarHBondContact O-N 3.1Å; V181-V186 HydrophobicContact CB-CG1 4.24Å; V181-V186 HydrophobicContact CG2-CG1 4.02Å; V181-V186 HydrophobicContact CG2-CG2 4.34Å; V184-V186 PolarHBondContact O-N 2.79Å; V186-G188 PolarHBondContact O-N 2.98Å; V186-K189 HydrophobicContact CG1-CD 4.47Å; V186-K189 WeakPolarHBondContact O-CB 3.34Å; V186-K189 PolarHBondContact O-N 3.07Å; V186-V194 HydrophobicContact CB-CG2 4.02Å; V186-V194 HydrophobicContact CG1-CG2 3.92Å; V186-V194 HydrophobicContact CG2-CG2 4.42Å; V186-L197 HydrophobicContact CG1-CD1 3.82Å
187	V	85.2	Confident	85.9	Confident	71 Å²	71	47 Å²	47	43%	0.43	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	124.4	176.2	-177.5	0	0	0	0	109.3	I179 N185 K189	I179-V187 HydrophobicContact CD1-CG2 4.06Å; I179-V187 HydrophobicContact CG2-CG2 3.99Å; N185-V187 VanDerWaalsContact OD1-CB 3.26Å; N185-V187 WeakPolarHBondContact OD1-CB 3.29Å; N185-V187 WeakPolarHBondContact OD1-CG2 3.48Å; N185-V187 PolarHBondContact OD1-N 3.29Å; V187-K189 VanDerWaalsContact C-N 3.26Å; V187-K189 PolarHBondContact O-N 3.15Å
188	G	80.2	Confident	85.6	Confident	41 Å²	41	45.8 Å²	45.8	42%	0.423	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	81.2	-5.6	-177.5	0	0	0	0	0	115.3	R148 G153 V186	R148-G188 PolarHBondContact NH2-O 3.2Å; G153-G188 PolarHBondContact O-N 3.13Å; V186-G188 PolarHBondContact O-N 2.98Å
189	K	84.9	Confident	85.2	Confident	70 Å²	70	50.2 Å²	50.2	30%	0.304	28%	0.28	S	S	.	.			trans	-75.8	166.6	172	-65.4	-164	179	179.1	0	111.6	V184 N185 V186 V187 D193	V184-K189 VanDerWaalsContact CG1-NZ 3.29Å; N185-K189 VanDerWaalsContact O-CE 3.28Å; N185-K189 WeakPolarHBondContact O-CE 3.27Å; V186-K189 HydrophobicContact CG1-CD 4.47Å; V186-K189 WeakPolarHBondContact O-CB 3.34Å; V186-K189 PolarHBondContact O-N 3.07Å; V187-K189 VanDerWaalsContact C-N 3.26Å; V187-K189 PolarHBondContact O-N 3.15Å; K189-D193 HydrophobicContact CB-CB 4.11Å; K189-D193 HydrophobicContact CD-CB 4.11Å
190	R	83.5	Confident	84.7	Confident	135 Å²	135	53.8 Å²	53.8	51%	0.509	31%	0.307	S	S	.	.			trans	-85.6	154.8	173.4	-65.7	-179.1	-65.1	174.3	1.3	110.5	T192 D193	R190-T192 PolarHBondContact O-N 3.29Å; R190-D193 PolarHBondContact N-OD2 2.79Å; R190-D193 WeakPolarHBondContact O-CB 3.37Å; R190-D193 PolarHBondContact O-N 3.49Å
191	P	83	Confident	83.8	Confident	37 Å²	37	52.8 Å²	52.8	24%	0.24	31%	0.306	C	S	.	.	H	α-helix	trans	-53.9	-38.2	175	-26.2	35	0	0	0	113.2	R148 L155 D193 V194 V195	R148-P191 HydrophobicContact CB-CG 4.1Å; L155-P191 HydrophobicContact CD2-CB 4.48Å; L155-P191 HydrophobicContact CD2-CG 3.82Å; P191-D193 VanDerWaalsContact C-N 3.25Å; P191-D193 PolarHBondContact O-N 2.91Å; P191-V194 WeakPolarHBondContact O-CA 3.45Å; P191-V194 WeakPolarHBondContact O-CB 3.44Å; P191-V194 PolarHBondContact O-N 3.13Å; P191-V195 PolarHBondContact O-N 3.03Å
192	T	82.4	Confident	82.7	Confident	18 Å²	18	59 Å²	59	11%	0.11	35%	0.349	C	S	.	.	H	α-helix	trans	-59.8	-32.2	176	49	0	0	0	0	113.3	D137 R190 V194 V195 K196	D137-T192 HydrophobicContact CB-CG2 3.96Å; D137-T192 WeakPolarHBondContact OD2-CG2 3.45Å; R190-T192 PolarHBondContact O-N 3.29Å; T192-V194 VanDerWaalsContact C-N 3.29Å; T192-V194 PolarHBondContact O-N 3.09Å; T192-V195 PolarHBondContact O-N 3.44Å; T192-K196 VanDerWaalsContact O-CG 3.32Å; T192-K196 WeakPolarHBondContact O-CG 3.25Å; T192-K196 PolarHBondContact O-N 3.18Å
193	D	84.8	Confident	82	Confident	45 Å²	45	58.7 Å²	58.7	24%	0.241	36%	0.361	C	S	.	.	H	α-helix	trans	-67.7	-33.6	174.7	-56.7	-44	0	0	0	111	K189 R190 P191 L197	K189-D193 HydrophobicContact CB-CB 4.11Å; K189-D193 HydrophobicContact CD-CB 4.11Å; R190-D193 PolarHBondContact N-OD2 2.79Å; R190-D193 WeakPolarHBondContact O-CB 3.37Å; R190-D193 PolarHBondContact O-N 3.49Å; P191-D193 VanDerWaalsContact C-N 3.25Å; P191-D193 PolarHBondContact O-N 2.91Å; D193-L197 VanDerWaalsContact O-CG 3.27Å; D193-L197 WeakPolarHBondContact O-CG 3.45Å; D193-L197 PolarHBondContact O-N 2.98Å; D193-L197 VanDerWaalsContact O-N 3.1Å
194	V	84.3	Confident	81.7	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-70.5	-43.6	173.9	-178.9	0	0	0	0	111	I146 L155 V181 V186 P191 T192 K196 L197 L198	I146-V194 HydrophobicContact CD1-CB 4.28Å; I146-V194 HydrophobicContact CD1-CG1 3.59Å; L155-V194 HydrophobicContact CD1-CG2 3.49Å; L155-V194 VanDerWaalsContact CD1-CG2 3.49Å; V181-V194 HydrophobicContact CG2-CG1 4.03Å; V186-V194 HydrophobicContact CB-CG2 4.02Å; V186-V194 HydrophobicContact CG1-CG2 3.92Å; V186-V194 HydrophobicContact CG2-CG2 4.42Å; P191-V194 WeakPolarHBondContact O-CA 3.45Å; P191-V194 WeakPolarHBondContact O-CB 3.44Å; P191-V194 PolarHBondContact O-N 3.13Å; T192-V194 VanDerWaalsContact C-N 3.29Å; T192-V194 PolarHBondContact O-N 3.09Å; V194-K196 VanDerWaalsContact C-N 3.28Å; V194-K196 PolarHBondContact O-N 2.89Å; V194-L197 WeakPolarHBondContact O-CB 3.37Å; V194-L197 PolarHBondContact O-N 3.07Å; V194-L197 VanDerWaalsContact O-N 3.08Å; V194-L198 HydrophobicContact CG1-CD1 3.87Å; V194-L198 HydrophobicContact CG1-CG 4.17Å; V194-L198 VanDerWaalsContact O-CG 3.27Å; V194-L198 WeakPolarHBondContact O-CG 3.37Å; V194-L198 PolarHBondContact O-N 3.19Å
195	V	80.7	Confident	81.3	Confident	26 Å²	26	59 Å²	59	16%	0.158	35%	0.353	C	S	.	.	H	α-helix	trans	-56.9	-44.3	175.5	178.6	0	0	0	0	110.6	D139 L142 P191 T192 L197 L198 N199	D139-V195 HydrophobicContact CB-CG1 3.85Å; L142-V195 HydrophobicContact CD1-CB 4.22Å; L142-V195 HydrophobicContact CD1-CG1 3.82Å; L142-V195 HydrophobicContact CD1-CG2 4.18Å; P191-V195 PolarHBondContact O-N 3.03Å; T192-V195 PolarHBondContact O-N 3.44Å; V195-L197 PolarHBondContact O-N 2.89Å; V195-L198 PolarHBondContact O-N 3.45Å; V195-N199 WeakPolarHBondContact O-CB 3.48Å; V195-N199 PolarHBondContact O-N 2.94Å
196	K	82.8	Confident	81.1	Confident	112 Å²	112	59.3 Å²	59.3	49%	0.487	36%	0.358	S	S	.	.	H	α-helix	trans	-60.5	-42	174.4	-72.2	170.8	-174	173	0	113.1	T192 V194 L198 S200	T192-K196 VanDerWaalsContact O-CG 3.32Å; T192-K196 WeakPolarHBondContact O-CG 3.25Å; T192-K196 PolarHBondContact O-N 3.18Å; V194-K196 VanDerWaalsContact C-N 3.28Å; V194-K196 PolarHBondContact O-N 2.89Å; K196-L198 VanDerWaalsContact C-N 3.31Å; K196-L198 PolarHBondContact O-N 2.93Å; K196-S200 VanDerWaalsContact O-CB 3.26Å; K196-S200 WeakPolarHBondContact O-CB 3.49Å; K196-S200 PolarHBondContact O-N 2.81Å; K196-S200 PolarHBondContact O-OG 2.95Å
197	L	84.4	Confident	81.2	Confident	45 Å²	45	62 Å²	62	24%	0.236	37%	0.37	C	S	.	.	H	α-helix	trans	-63.7	-38.2	176.5	-73.7	169.1	0	0	0	111.9	V184 V186 D193 V194 V195 S201	V184-L197 HydrophobicContact CB-CD1 4.23Å; V184-L197 HydrophobicContact CB-CD2 4.4Å; V184-L197 HydrophobicContact CG1-CD1 4.04Å; V184-L197 HydrophobicContact CG1-CD2 4.38Å; V184-L197 HydrophobicContact CG2-CD2 4.19Å; V186-L197 HydrophobicContact CG1-CD1 3.82Å; D193-L197 VanDerWaalsContact O-CG 3.27Å; D193-L197 WeakPolarHBondContact O-CG 3.45Å; D193-L197 PolarHBondContact O-N 2.98Å; D193-L197 VanDerWaalsContact O-N 3.1Å; V194-L197 WeakPolarHBondContact O-CB 3.37Å; V194-L197 PolarHBondContact O-N 3.07Å; V194-L197 VanDerWaalsContact O-N 3.08Å; V195-L197 PolarHBondContact O-N 2.89Å; L197-S201 WeakPolarHBondContact O-CB 3.45Å; L197-S201 PolarHBondContact O-N 2.56Å; L197-S201 PolarHBondContact O-OG 2.8Å
198	L	82.9	Confident	81.4	Confident	21 Å²	21	64 Å²	64	11%	0.11	37%	0.373	C	S	.	.	H	α-helix	trans	-72.7	-43.7	178.8	-66.5	177.1	0	0	0	111.7	L142 V181 V194 V195 K196 S200 S201 V205 F207	L142-L198 HydrophobicContact CD1-CB 3.9Å; L142-L198 HydrophobicContact CD1-CD1 3.76Å; L142-L198 HydrophobicContact CD1-CG 4.47Å; L142-L198 HydrophobicContact CD2-CD1 3.45Å; L142-L198 VanDerWaalsContact CD2-CD1 3.45Å; L142-L198 HydrophobicContact CG-CD1 4.08Å; V181-L198 HydrophobicContact CG1-CD2 3.65Å; V181-L198 HydrophobicContact CG1-CG 4.34Å; V194-L198 HydrophobicContact CG1-CD1 3.87Å; V194-L198 HydrophobicContact CG1-CG 4.17Å; V194-L198 VanDerWaalsContact O-CG 3.27Å; V194-L198 WeakPolarHBondContact O-CG 3.37Å; V194-L198 PolarHBondContact O-N 3.19Å; V195-L198 PolarHBondContact O-N 3.45Å; K196-L198 VanDerWaalsContact C-N 3.31Å; K196-L198 PolarHBondContact O-N 2.93Å; L198-S200 VanDerWaalsContact C-N 3.3Å; L198-S200 PolarHBondContact O-N 2.88Å; L198-S201 PolarHBondContact O-N 3.34Å; L198-S201 VanDerWaalsContact O-N 3.12Å; L198-S201 PolarHBondContact O-OG 2.8Å; L198-V205 HydrophobicContact CD2-CB 4.32Å; L198-V205 HydrophobicContact CD2-CG1 3.31Å; L198-V205 HydrophobicContact CD2-CG2 4.05Å; L198-F207 HydrophobicContact CD1-CZ 4.29Å; L198-F207 HydrophobicContact CD2-CE1 4.42Å; L198-F207 HydrophobicContact CD2-CZ 3.81Å
199	N	79.9	Confident	81.8	Confident	95 Å²	95	64.1 Å²	64.1	51%	0.508	36%	0.364	S	S	.	.	H	α-helix	trans	-67.4	-29.9	176.7	-71.6	-8.4	0	0	0	112.6	V195 S201	V195-N199 WeakPolarHBondContact O-CB 3.48Å; V195-N199 PolarHBondContact O-N 2.94Å; N199-S201 VanDerWaalsContact C-N 3.28Å
200	S	78.7	Confident	81.9	Confident	103 Å²	103	64.9 Å²	64.9	72%	0.72	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.9	-13.1	174.8	-56.5	0	0	0	0	113.2	K196 L198	K196-S200 VanDerWaalsContact O-CB 3.26Å; K196-S200 WeakPolarHBondContact O-CB 3.49Å; K196-S200 PolarHBondContact O-N 2.81Å; K196-S200 PolarHBondContact O-OG 2.95Å; L198-S200 VanDerWaalsContact C-N 3.3Å; L198-S200 PolarHBondContact O-N 2.88Å
201	S	72	Confident	82	Confident	31 Å²	31	62.6 Å²	62.6	22%	0.217	37%	0.373	C	S	.	.			trans	-93.1	110.2	-177.6	66.7	0	0	0	0	111.4	N182 L197 L198 N199 G203	N182-S201 VanDerWaalsContact ND2-CB 3.26Å; N182-S201 WeakPolarHBondContact ND2-CB 3.48Å; L197-S201 WeakPolarHBondContact O-CB 3.45Å; L197-S201 PolarHBondContact O-N 2.56Å; L197-S201 PolarHBondContact O-OG 2.8Å; L198-S201 PolarHBondContact O-N 3.34Å; L198-S201 VanDerWaalsContact O-N 3.12Å; L198-S201 PolarHBondContact O-OG 2.8Å; N199-S201 VanDerWaalsContact C-N 3.28Å; S201-G203 PolarHBondContact O-N 3.42Å
202	S	65.8	Low	81.7	Confident	129 Å²	129	62.2 Å²	62.2	90%	0.902	37%	0.373	S	S	*	.			trans	-89.5	100.2	170.3	61.1	0	0	0	0	109.8
203	G	74.5	Confident	80.9	Confident	55 Å²	55	67.1 Å²	67.1	57%	0.567	41%	0.405	S	S	*	.	S	Bend	trans	130	-133.5	171.9	0	0	0	0	0	114.6	S201	S201-G203 PolarHBondContact O-N 3.42Å
204	S	78.7	Confident	79.2	Confident	83 Å²	83	69.3 Å²	69.3	58%	0.58	43%	0.43	S	S	*	.			trans	-73.2	128	-179.9	55.6	0	0	0	0	111.1
205	V	81.6	Confident	77.4	Confident	39 Å²	39	76.1 Å²	76.1	24%	0.236	46%	0.461	C	S	.	.			trans	-98.6	128	172.3	-176.6	0	0	0	0	109.2	V181 N182 L198 F207	V181-V205 HydrophobicContact CG1-CG1 4.12Å; N182-V205 WeakPolarHBondContact OD1-CA 3.45Å; L198-V205 HydrophobicContact CD2-CB 4.32Å; L198-V205 HydrophobicContact CD2-CG1 3.31Å; L198-V205 HydrophobicContact CD2-CG2 4.05Å; V205-F207 HydrophobicContact CB-CE2 4.08Å; V205-F207 HydrophobicContact CG1-CD2 3.85Å; V205-F207 HydrophobicContact CG1-CE2 3.29Å; V205-F207 HydrophobicContact CG1-CZ 3.69Å
206	T	86.1	Confident	75.1	Confident	89 Å²	89	82.6 Å²	82.6	55%	0.546	49%	0.494	S	S	.	.			trans	-106.1	124.4	176.4	-51.9	0	0	0	0	109.7	V181 N182	V181-T206 CarbonylContact C-O 3.6Å; V181-T206 WeakPolarHBondContact CA-O 3.24Å; N182-T206 PolarHBondContact N-O 2.95Å; N182-T206 PolarHBondContact OD1-N 3.37Å
207	F	88.3	Confident	72.7	Confident	57 Å²	57	82.2 Å²	82.2	25%	0.25	51%	0.512	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	136.5	175	-70.6	-88.7	0	0	0	110.4	L172 V178 E180 V181 L198 V205 L209	L172-F207 HydrophobicContact CD1-CE2 4.24Å; L172-F207 HydrophobicContact CD2-CB 4.44Å; L172-F207 HydrophobicContact CD2-CD2 4.22Å; L172-F207 HydrophobicContact CD2-CG 4.27Å; V178-F207 HydrophobicContact CG1-CD1 4.01Å; V178-F207 HydrophobicContact CG1-CE1 4.44Å; E180-F207 WeakPolarHBondContact O-CA 3.35Å; V181-F207 HydrophobicContact CG1-CE1 4.35Å; V181-F207 HydrophobicContact CG2-CD1 3.84Å; V181-F207 HydrophobicContact CG2-CE1 3.79Å; L198-F207 HydrophobicContact CD1-CZ 4.29Å; L198-F207 HydrophobicContact CD2-CE1 4.42Å; L198-F207 HydrophobicContact CD2-CZ 3.81Å; V205-F207 HydrophobicContact CB-CE2 4.08Å; V205-F207 HydrophobicContact CG1-CD2 3.85Å; V205-F207 HydrophobicContact CG1-CE2 3.29Å; V205-F207 HydrophobicContact CG1-CZ 3.69Å; F207-L209 HydrophobicContact CB-CD1 4.14Å; F207-L209 HydrophobicContact CB-CD2 3.85Å; F207-L209 HydrophobicContact CB-CG 3.88Å; F207-L209 HydrophobicContact CD1-CD2 4.26Å; F207-L209 HydrophobicContact CG-CD2 4.42Å
208	K	89.1	Confident	70.1	Confident	114 Å²	114	84 Å²	84	50%	0.496	53%	0.533	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	119.4	162.3	-167.3	179.7	-178.7	176.3	0	107.9	I179 E180	I179-K208 WeakPolarHBondContact CB-O 3.17Å; I179-K208 PolarHBondContact N-O 3.11Å; E180-K208 HydrophobicContact CB-CB 3.78Å; E180-K208 HydrophobicContact CB-CD 4.32Å; E180-K208 HydrophobicContact CG-CB 4.4Å; E180-K208 HydrophobicContact CG-CD 4.1Å; E180-K208 PolarHBondContact N-O 2.9Å; E180-K208 PolarHBondContact O-N 3.43Å; E180-K208 WeakPolarHBondContact OE1-CD 3.3Å; E180-K208 IonicContact OE1-NZ 2.79Å; E180-K208 PolarHBondContact OE1-NZ 2.77Å; E180-K208 VanDerWaalsContact OE2-CD 3.28Å; E180-K208 WeakPolarHBondContact OE2-CD 3.17Å; E180-K208 IonicContact OE2-NZ 3.61Å
209	L	89.6	Confident	67.5	Low	42 Å²	42	88.9 Å²	88.9	22%	0.22	56%	0.559	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-124	148.7	-169	-54.4	169.6	0	0	0	110	L172 D176 Q177 V178 F207	L172-L209 HydrophobicContact CD2-CD1 3.35Å; L172-L209 HydrophobicContact CD2-CG 4.5Å; D176-L209 HydrophobicContact CB-CD1 4.43Å; Q177-L209 CarbonylContact O-C 3.57Å; Q177-L209 WeakPolarHBondContact O-CA 3.39Å; V178-L209 HydrophobicContact CB-CD2 4.22Å; V178-L209 HydrophobicContact CG1-CD2 4.24Å; V178-L209 HydrophobicContact CG2-CD2 3.94Å; F207-L209 HydrophobicContact CB-CD1 4.14Å; F207-L209 HydrophobicContact CB-CD2 3.85Å; F207-L209 HydrophobicContact CB-CG 3.88Å; F207-L209 HydrophobicContact CD1-CD2 4.26Å; F207-L209 HydrophobicContact CG-CD2 4.42Å
210	I	87	Confident	65	Low	87 Å²	87	88.4 Å²	88.4	45%	0.446	58%	0.577	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-94.2	111.8	154.4	-56.6	174.1	0	0	0	105	Q177 I179	Q177-I210 HydrophobicContact CB-CB 4.14Å; Q177-I210 PolarHBondContact N-O 3.44Å; Q177-I210 PolarHBondContact O-N 3.49Å; I179-I210 HydrophobicContact CD1-CD1 3.71Å; I179-I210 HydrophobicContact CD1-CG1 3.95Å; I179-I210 HydrophobicContact CG1-CD1 4.1Å; I179-I210 HydrophobicContact CG1-CG1 3.8Å
211	P	84.9	Confident	62.6	Low	86 Å²	86	89.2 Å²	89.2	56%	0.558	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-56.3	144.5	179.3	-23.8	33.5	0	0	0	110.8	D176	D176-P211 WeakPolarHBondContact OD1-CA 3.35Å
212	A	76.9	Confident	60.4	Low	29 Å²	29	92.2 Å²	92.2	24%	0.24	59%	0.588	C	S	.	*	P	Polyproline II helix	trans	-50.4	138	168.7	0	0	0	0	0	109.3	D176 A214	D176-A212 PolarHBondContact OD1-N 3.33Å; A212-A214 PolarHBondContact O-N 2.99Å
213	P	65.6	Low	58.6	Low	121 Å²	121	91.7 Å²	91.7	79%	0.786	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-53.9	120.1	171.9	21.2	-29.4	0	0	0	107.3	Q215	P213-Q215 PolarHBondContact O-N 2.7Å
214	A	50.4	Low	56.3	Low	92 Å²	92	92 Å²	92	76%	0.76	58%	0.577	S	S	*	*			trans	-51.1	105.8	-169.2	0	0	0	0	0	109.8	A212 L216	A212-A214 PolarHBondContact O-N 2.99Å; A214-L216 VanDerWaalsContact C-N 3.31Å; A214-L216 PolarHBondContact O-N 2.9Å
215	Q	44.5	Very low	53.9	Low	142 Å²	142	91.6 Å²	91.6	66%	0.664	57%	0.568	S	S	*	*			trans	-53.8	112.5	147.9	-75.3	179.8	-35.9	0	0	103.4	P213 A217	P213-Q215 PolarHBondContact O-N 2.7Å; Q215-A217 PolarHBondContact O-N 3.29Å
216	L	33.8	Very low	51.5	Low	163 Å²	163	93.7 Å²	93.7	85%	0.853	58%	0.582	S	S	*	*			trans	-34.8	121	176	-80.9	152.2	0	0	0	107.4	A214 A218	A214-L216 VanDerWaalsContact C-N 3.31Å; A214-L216 PolarHBondContact O-N 2.9Å; L216-A218 PolarHBondContact O-N 2.73Å
217	A	32	Very low	49.2	Very low	103 Å²	103	92.8 Å²	92.8	85%	0.851	58%	0.579	S	S	*	*			trans	-62.1	68.7	174.9	0	0	0	0	0	109.7	Q215 N219	Q215-A217 PolarHBondContact O-N 3.29Å; A217-N219 PolarHBondContact O-N 2.9Å
218	A	30.1	Very low	46.7	Very low	83 Å²	83	92.2 Å²	92.2	69%	0.686	59%	0.589	S	S	*	*			trans	-88.8	73.1	153.9	0	0	0	0	0	104.9	L216	L216-A218 PolarHBondContact O-N 2.73Å
219	N	28.7	Very low	44.1	Very low	123 Å²	123	90.4 Å²	90.4	66%	0.658	59%	0.59	S	S	*	*			trans	163.4	83.7	147.8	-80.3	-8.8	0	0	0	108.7	A217 F221	A217-N219 PolarHBondContact O-N 2.9Å; N219-F221 HydrophobicContact CB-CB 4.36Å; N219-F221 HydrophobicContact CB-CD2 3.89Å; N219-F221 PolarHBondContact O-N 3.22Å
220	G	26	Very low	42.2	Very low	85 Å²	85	90.9 Å²	90.9	88%	0.876	61%	0.605	S	S	*	*			trans	-65.3	33.1	153.4	0	0	0	0	0	112.8	S222	G220-S222 PolarHBondContact O-N 2.84Å
221	F	28.9	Very low	41	Very low	121 Å²	121	90.9 Å²	90.9	53%	0.531	61%	0.609	S	S	.	*			trans	-85.9	88.9	172	-75.6	-84.9	0	0	0	107.9	N219 C223	N219-F221 HydrophobicContact CB-CB 4.36Å; N219-F221 HydrophobicContact CB-CD2 3.89Å; N219-F221 PolarHBondContact O-N 3.22Å; F221-C223 PolarHBondContact O-N 3.07Å
222	S	26.7	Very low	40.7	Very low	93 Å²	93	89.8 Å²	89.8	65%	0.65	60%	0.602	S	S	*	*			trans	-32.5	108.4	138.1	144.9	0	0	0	0	109	G220 S224	G220-S222 PolarHBondContact O-N 2.84Å; S222-S224 VanDerWaalsContact C-N 3.32Å; S222-S224 PolarHBondContact O-N 3.27Å
223	C	27.2	Very low	41.3	Very low	118 Å²	118	89.8 Å²	89.8	80%	0.797	60%	0.599	S	S	*	*	S	Bend	trans	16.1	66.9	152.9	53.2	0	0	0	0	116.8	F221	F221-C223 PolarHBondContact O-N 3.07Å
224	S	25.2	Very low	42.5	Very low	62 Å²	62	86.1 Å²	86.1	43%	0.434	57%	0.571	S	S	.	*			trans	-153	139.4	155.5	73.3	0	0	0	0	106.1	S222	S222-S224 VanDerWaalsContact C-N 3.32Å; S222-S224 PolarHBondContact O-N 3.27Å
225	D	28.9	Very low	44.6	Very low	74 Å²	74	82.5 Å²	82.5	40%	0.396	54%	0.538	S	S	.	.			trans	87.2	53.8	150.6	-36.8	-23.8	0	0	0	117.8	S227 G230	D225-S227 PolarHBondContact O-N 2.93Å; D225-G230 VanDerWaalsContact CG-CA 3.48Å; D225-G230 WeakPolarHBondContact OD1-CA 3.47Å
226	T	32.4	Very low	46.9	Very low	84 Å²	84	76.4 Å²	76.4	52%	0.515	51%	0.509	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	72.7	145	31.2	0	0	0	0	109.6
227	S	36.2	Very low	49.7	Very low	69 Å²	69	68.6 Å²	68.6	48%	0.483	47%	0.469	S	S	.	.	T	Hydrogen-bonded Turn	trans	173	24.2	153.9	-71.9	0	0	0	0	112.2	D225 C229	D225-S227 PolarHBondContact O-N 2.93Å; S227-C229 PolarHBondContact O-N 3.36Å
228	G	37	Very low	52.5	Low	46 Å²	46	64 Å²	64	47%	0.474	43%	0.43	S	S	.	.	S	Bend	trans	55.5	13	178.5	0	0	0	0	0	115.8	D71	D71-G228 WeakPolarHBondContact OD2-CA 3.36Å
229	C	33.1	Very low	55.4	Low	75 Å²	75	61.4 Å²	61.4	51%	0.507	40%	0.403	S	S	.	.	S	Bend	trans	-159.6	115.5	-179.9	-172.3	0	0	0	0	103.5	S227 T231	S227-C229 PolarHBondContact O-N 3.36Å; C229-T231 PolarHBondContact O-N 2.91Å
230	G	50.1	Low	58.4	Low	52 Å²	52	59.9 Å²	59.9	54%	0.536	40%	0.395	S	S	.	.			trans	-69.4	32	-170.3	0	0	0	0	0	117.6	D225	D225-G230 VanDerWaalsContact CG-CA 3.48Å; D225-G230 WeakPolarHBondContact OD1-CA 3.47Å
231	T	63.4	Low	61.5	Low	87 Å²	87	56.9 Å²	56.9	53%	0.534	36%	0.357	S	S	.	.	P	Polyproline II helix	trans	-89	122.7	176	52.6	0	0	0	0	109.8	C229 V233	C229-T231 PolarHBondContact O-N 2.91Å; T231-V233 PolarHBondContact O-N 2.85Å
232	P	78.6	Confident	64.5	Low	64 Å²	64	54 Å²	54	42%	0.416	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-59.8	134	173.1	23.8	-31.8	0	0	0	110.7	F234	P232-F234 HydrophobicContact CB-CE2 3.87Å; P232-F234 HydrophobicContact CB-CZ 4.03Å; P232-F234 HydrophobicContact CG-CE2 3.71Å; P232-F234 HydrophobicContact CG-CZ 3.99Å; P232-F234 WeakPolarHBondContact O-CD2 3.1Å; P232-F234 WeakPolarHBondContact O-CE2 3.47Å
233	V	87.7	Confident	67.6	Low	29 Å²	29	49.9 Å²	49.9	18%	0.176	32%	0.318	C	S	.	.	P	Polyproline II helix	trans	-87.9	131	175.6	-176.8	0	0	0	0	109.3	T231 L235 L266 E344	T231-V233 PolarHBondContact O-N 2.85Å; V233-L235 HydrophobicContact CG1-CD2 4.27Å; V233-L266 HydrophobicContact CB-CB 4.38Å; V233-L266 HydrophobicContact CB-CD1 4.03Å; V233-L266 HydrophobicContact CG1-CD1 3.71Å; V233-L266 PolarHBondContact O-N 2.84Å; V233-E344 HydrophobicContact CG1-CG 4.25Å
234	F	92.5	Very high	70.6	Confident	43 Å²	43	50.3 Å²	50.3	19%	0.189	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	137.1	176.5	-59.9	-90.4	0	0	0	110.3	P232 I263 L264 R265 V345 W549	P232-F234 HydrophobicContact CB-CE2 3.87Å; P232-F234 HydrophobicContact CB-CZ 4.03Å; P232-F234 HydrophobicContact CG-CE2 3.71Å; P232-F234 HydrophobicContact CG-CZ 3.99Å; P232-F234 WeakPolarHBondContact O-CD2 3.1Å; P232-F234 WeakPolarHBondContact O-CE2 3.47Å; F234-I263 HydrophobicContact CB-CG2 4.24Å; F234-I263 HydrophobicContact CD1-CG2 4.31Å; F234-L264 CarbonylContact C-O 3.58Å; F234-L264 WeakPolarHBondContact CA-O 3.43Å; F234-R265 HydrophobicContact CD1-CB 3.81Å; F234-R265 HydrophobicContact CD1-CG 4.07Å; F234-R265 HydrophobicContact CE1-CB 3.73Å; F234-R265 HydrophobicContact CE1-CG 3.69Å; F234-R265 HydrophobicContact CZ-CG 4.28Å; F234-V345 HydrophobicContact CB-CG2 3.97Å; F234-V345 PolarHBondContact O-N 3.03Å; F234-W549 HydrophobicContact CB-CE3 4.44Å; F234-W549 HydrophobicContact CB-CH2 3.91Å; F234-W549 HydrophobicContact CB-CZ3 3.58Å; F234-W549 AromaticContact CD1-CH2 3.44Å; F234-W549 HydrophobicContact CD1-CH2 3.44Å; F234-W549 VanDerWaalsContact CD1-CH2 3.44Å; F234-W549 HydrophobicContact CD1-CZ2 4.23Å; F234-W549 HydrophobicContact CD1-CZ3 4.05Å; F234-W549 AromaticContact CD2-CH2 3.77Å; F234-W549 HydrophobicContact CD2-CH2 3.77Å; F234-W549 AromaticContact CD2-CZ3 3.82Å; F234-W549 HydrophobicContact CD2-CZ3 3.82Å; F234-W549 AromaticContact CE1-CH2 3.78Å; F234-W549 HydrophobicContact CE1-CH2 3.78Å; F234-W549 HydrophobicContact CE1-CZ2 4.46Å; F234-W549 HydrophobicContact CE2-CH2 4.07Å; F234-W549 HydrophobicContact CE2-CZ3 4.47Å; F234-W549 AromaticContact CG-CH2 3.44Å; F234-W549 HydrophobicContact CG-CH2 3.44Å; F234-W549 VanDerWaalsContact CG-CH2 3.44Å; F234-W549 AromaticContact CG-CZ3 3.56Å; F234-W549 HydrophobicContact CG-CZ3 3.56Å; F234-W549 HydrophobicContact CZ-CH2 4.08Å
235	L	93.2	Very high	73.6	Confident	16 Å²	16	53.5 Å²	53.5	8%	0.084	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	138.2	-178.8	-64	-173.5	0	0	0	109.6	V233 I263 L264 L266 W275 Y342 E343 E344	V233-L235 HydrophobicContact CG1-CD2 4.27Å; L235-I263 CarbonylContact O-C 3.51Å; L235-I263 WeakPolarHBondContact O-CA 3.18Å; L235-L264 HydrophobicContact CB-CB 4.38Å; L235-L264 PolarHBondContact N-O 2.68Å; L235-L264 PolarHBondContact O-N 3.14Å; L235-L266 HydrophobicContact CD1-CD1 3.56Å; L235-L266 HydrophobicContact CD1-CD2 3.8Å; L235-L266 HydrophobicContact CD1-CG 3.91Å; L235-L266 HydrophobicContact CD2-CD1 4.4Å; L235-L266 HydrophobicContact CG-CD1 3.8Å; L235-L266 HydrophobicContact CG-CD2 4.4Å; L235-L266 HydrophobicContact CG-CG 4.06Å; L235-W275 HydrophobicContact CD1-CE3 4.34Å; L235-W275 HydrophobicContact CD1-CZ3 3.87Å; L235-Y342 HydrophobicContact CB-CD1 4.36Å; L235-Y342 HydrophobicContact CB-CG 4.38Å; L235-Y342 HydrophobicContact CD1-CD1 4.34Å; L235-Y342 HydrophobicContact CD1-CD2 4.15Å; L235-Y342 HydrophobicContact CD1-CG 3.81Å; L235-E343 CarbonylContact C-O 3.55Å; L235-E343 WeakPolarHBondContact CA-O 3.41Å; L235-E344 HydrophobicContact CD2-CB 4.1Å; L235-E344 HydrophobicContact CD2-CG 4.18Å
236	R	93.5	Very high	76.3	Confident	14 Å²	14	51.3 Å²	51.3	5%	0.053	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	128.9	165	-176.4	179.2	-60.9	-171.9	4.9	108.8	M238 D262 I263 Y342 E343 V345 D521 W549	R236-M238 HydrophobicContact CG-SD 4.06Å; R236-M238 PolarHBondContact O-N 3Å; R236-D262 WeakPolarHBondContact CA-O 3.45Å; R236-I263 HydrophobicContact CB-CD1 3.75Å; R236-I263 HydrophobicContact CG-CD1 3.87Å; R236-Y342 WeakPolarHBondContact O-CA 3.24Å; R236-E343 PolarHBondContact N-O 2.97Å; R236-E343 PolarHBondContact O-N 3.37Å; R236-V345 HydrophobicContact CB-CG1 3.71Å; R236-V345 HydrophobicContact CB-CG2 4.39Å; R236-D521 IonicContact NH1-OD1 3.77Å; R236-D521 PolarHBondContact NH1-OD1 3.42Å; R236-W549 VanDerWaalsContact NH2-C 3.35Å; R236-W549 PolarHBondContact NH2-O 3.08Å
237	A	92.7	Very high	78.8	Confident	0 Å²	0	54.8 Å²	54.8	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	122.1	171	0	0	0	0	0	110	F258 G261 D262	A237-F258 HydrophobicContact CB-CD2 3.41Å; A237-F258 VanDerWaalsContact CB-CD2 3.41Å; A237-F258 HydrophobicContact CB-CE2 3.57Å; A237-F258 HydrophobicContact CB-CG 4.4Å; A237-G261 PolarHBondContact O-N 3.44Å; A237-D262 PolarHBondContact N-O 3.46Å
238	M	91.4	Very high	81	Confident	7 Å²	7	56.3 Å²	56.3	3%	0.034	32%	0.317	C	S	.	.	S	Bend	trans	-95.6	1.6	176.6	-53.6	-60.2	-75.9	0	0	112.6	R236 L339 T341 E343 C518 F519	R236-M238 HydrophobicContact CG-SD 4.06Å; R236-M238 PolarHBondContact O-N 3Å; M238-L339 HydrophobicContact CB-CB 4.26Å; M238-L339 VanDerWaalsContact CB-O 3.23Å; M238-L339 WeakPolarHBondContact CB-O 3.5Å; M238-L339 HydrophobicContact CE-CD2 3.86Å; M238-T341 VanDerWaalsContact CB-O 3.25Å; M238-T341 WeakPolarHBondContact CB-O 3.44Å; M238-T341 PolarHBondContact N-O 3.35Å; M238-E343 HydrophobicContact CG-CB 4.05Å; M238-E343 HydrophobicContact SD-CB 4.02Å; M238-C518 HydrophobicContact CB-CB 4.27Å; M238-C518 HydrophobicContact CE-CB 3.76Å; M238-C518 WeakPolarHBondContact CE-O 3.38Å; M238-C518 WeakPolarHBondContact O-CB 3.49Å; M238-C518 HydrophobicContact SD-CB 4.36Å; M238-F519 HydrophobicContact CE-CD1 4.2Å; M238-F519 HydrophobicContact CE-CE1 4.22Å
239	F	90.5	Very high	83.2	Confident	27 Å²	27	54.4 Å²	54.4	12%	0.118	30%	0.296	C	S	.	.	S	Bend	trans	-141.1	163.7	-179.5	68	-77.2	0	0	0	110.3	Y241 F258 R260 P292 L297 T341 Y342	F239-Y241 HydrophobicContact CE2-CD2 4.44Å; F239-Y241 HydrophobicContact CE2-CG 4.47Å; F239-F258 HydrophobicContact CD2-CE2 4.38Å; F239-F258 HydrophobicContact CE1-CE2 4.21Å; F239-F258 HydrophobicContact CE1-CZ 4.32Å; F239-F258 AromaticContact CE2-CE2 3.94Å; F239-F258 HydrophobicContact CE2-CE2 3.94Å; F239-F258 AromaticContact CE2-CZ 3.88Å; F239-F258 HydrophobicContact CE2-CZ 3.88Å; F239-F258 AromaticContact CZ-CE2 3.83Å; F239-F258 HydrophobicContact CZ-CE2 3.83Å; F239-F258 AromaticContact CZ-CZ 3.62Å; F239-F258 HydrophobicContact CZ-CZ 3.62Å; F239-R260 VanDerWaalsContact C-CG 3.4Å; F239-R260 VanDerWaalsContact CA-CG 3.46Å; F239-P292 HydrophobicContact CZ-CG 4.5Å; F239-L297 HydrophobicContact CE1-CD1 3.68Å; F239-L297 HydrophobicContact CE2-CD1 4.39Å; F239-L297 HydrophobicContact CE2-CD2 4.08Å; F239-L297 HydrophobicContact CZ-CD1 3.46Å; F239-L297 VanDerWaalsContact CZ-CD1 3.46Å; F239-L297 HydrophobicContact CZ-CD2 3.93Å; F239-L297 HydrophobicContact CZ-CG 4.35Å; F239-T341 WeakPolarHBondContact CD1-O 3.42Å; F239-Y342 HydrophobicContact CE1-CD1 4.26Å; F239-Y342 AromaticContact CE1-CE1 3.85Å; F239-Y342 HydrophobicContact CE1-CE1 3.85Å; F239-Y342 HydrophobicContact CE1-CE2 4.33Å; F239-Y342 AromaticContact CE1-CZ 3.9Å; F239-Y342 HydrophobicContact CZ-CE1 4.09Å; F239-Y342 HydrophobicContact CZ-CE2 4.43Å; F239-Y342 AromaticContact CZ-CZ 3.83Å
240	D	90.6	Very high	85.2	Confident	92 Å²	92	52.4 Å²	52.4	49%	0.492	28%	0.282	S	S	.	.			trans	-90.6	140.2	173	-50.2	-64.6	0	0	0	109.3	G259 R260	D240-G259 WeakPolarHBondContact OD1-CA 3.47Å; D240-R260 WeakPolarHBondContact OD1-CG 3.45Å; D240-R260 PolarHBondContact OD1-N 3.41Å; D240-R260 IonicContact OD1-NE 2.71Å; D240-R260 IonicContact OD2-CZ 3.45Å; D240-R260 IonicContact OD2-NE 2.73Å; D240-R260 PolarHBondContact OD2-NE 3.03Å; D240-R260 IonicContact OD2-NH2 3.29Å; D240-R260 PolarHBondContact OD2-NH2 3.48Å
241	Y	92	Very high	86.6	Confident	21 Å²	21	50.1 Å²	50.1	8%	0.082	26%	0.258	C	S	.	.	B	Isolated β-bridge	trans	-131.2	121.6	178.6	178.3	-112.8	0	0	0	110.9	F239 P243 D246 N249 L256 A257 F258 W274 P292	F239-Y241 HydrophobicContact CE2-CD2 4.44Å; F239-Y241 HydrophobicContact CE2-CG 4.47Å; Y241-P243 HydrophobicContact CD1-CG 4.27Å; Y241-P243 HydrophobicContact CE1-CB 4.35Å; Y241-P243 HydrophobicContact CE1-CG 3.74Å; Y241-D246 HydrophobicContact CE2-CB 3.9Å; Y241-D246 WeakPolarHBondContact CE2-OD2 3.28Å; Y241-N249 PolarHBondContact OH-ND2 3.07Å; Y241-N249 VanDerWaalsContact OH-ND2 3.1Å; Y241-L256 VanDerWaalsContact CD1-O 3.26Å; Y241-L256 WeakPolarHBondContact CD1-O 3.46Å; Y241-A257 WeakPolarHBondContact O-CA 3.4Å; Y241-F258 VanDerWaalsContact CB-CE2 3.44Å; Y241-F258 AromaticContact CD1-CD1 3.97Å; Y241-F258 HydrophobicContact CD1-CD1 3.97Å; Y241-F258 AromaticContact CD1-CE1 3.46Å; Y241-F258 HydrophobicContact CD1-CE1 3.46Å; Y241-F258 VanDerWaalsContact CD1-CE1 3.46Å; Y241-F258 AromaticContact CD1-CZ 3.97Å; Y241-F258 HydrophobicContact CD1-CZ 3.97Å; Y241-F258 HydrophobicContact CE1-CE1 4.45Å; Y241-F258 HydrophobicContact CG-CD1 4.46Å; Y241-F258 AromaticContact CG-CE1 3.79Å; Y241-F258 HydrophobicContact CG-CE1 3.79Å; Y241-F258 HydrophobicContact CG-CE2 4.47Å; Y241-F258 AromaticContact CG-CZ 3.79Å; Y241-F258 HydrophobicContact CG-CZ 3.79Å; Y241-F258 PolarHBondContact N-O 2.97Å; Y241-F258 PolarHBondContact O-N 3.27Å; Y241-F258 VanDerWaalsContact O-N 3.1Å; Y241-W274 WeakPolarHBondContact OH-CH2 3.39Å; Y241-W274 VanDerWaalsContact OH-CZ3 3.29Å; Y241-W274 WeakPolarHBondContact OH-CZ3 3.5Å; Y241-P292 HydrophobicContact CD2-CG 4.13Å; Y241-P292 HydrophobicContact CE2-CG 3.97Å; Y241-P292 HydrophobicContact CG-CG 4.5Å
242	N	92.4	Very high	87.6	Confident	62 Å²	62	47.2 Å²	47.2	33%	0.332	24%	0.241	S	C	.	.			trans	-113.1	111.8	170.9	-178.9	5.9	0	0	0	109	N244 D245	N242-N244 PolarHBondContact O-N 3.13Å; N242-N244 VanDerWaalsContact O-N 3.12Å; N242-N244 PolarHBondContact OD1-N 3.02Å; N242-D245 HydrophobicContact CB-CB 4.29Å; N242-D245 WeakPolarHBondContact CB-OD2 3.39Å; N242-D245 PolarHBondContact ND2-OD1 2.97Å; N242-D245 PolarHBondContact ND2-OD2 2.69Å; N242-D245 PolarHBondContact O-N 2.96Å
243	P	91.3	Very high	87.6	Confident	5 Å²	5	49.8 Å²	49.8	3%	0.032	25%	0.247	C	C	.	.	G	3₁₀ helix	trans	-52.8	-31.3	178	-30	35.7	0	0	0	115.1	Y241 D245 D246 P252 A257	Y241-P243 HydrophobicContact CD1-CG 4.27Å; Y241-P243 HydrophobicContact CE1-CB 4.35Å; Y241-P243 HydrophobicContact CE1-CG 3.74Å; P243-D245 VanDerWaalsContact C-N 3.29Å; P243-D245 PolarHBondContact O-N 2.94Å; P243-D246 PolarHBondContact O-N 3.48Å; P243-P252 HydrophobicContact CB-CB 4.22Å; P243-A257 HydrophobicContact CG-CB 4.22Å
244	N	89.9	Confident	87.3	Confident	127 Å²	127	49.5 Å²	49.5	68%	0.679	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-75.4	-19.9	-177.5	-61.4	-43.3	0	0	0	112.8	N242	N242-N244 PolarHBondContact O-N 3.13Å; N242-N244 VanDerWaalsContact O-N 3.12Å; N242-N244 PolarHBondContact OD1-N 3.02Å
245	D	88.5	Confident	87.1	Confident	130 Å²	130	48.2 Å²	48.2	70%	0.695	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-93	-7.5	178.9	-59.9	-26.8	0	0	0	111.8	N242 P243	N242-D245 HydrophobicContact CB-CB 4.29Å; N242-D245 WeakPolarHBondContact CB-OD2 3.39Å; N242-D245 PolarHBondContact ND2-OD1 2.97Å; N242-D245 PolarHBondContact ND2-OD2 2.69Å; N242-D245 PolarHBondContact O-N 2.96Å; P243-D245 VanDerWaalsContact C-N 3.29Å; P243-D245 PolarHBondContact O-N 2.94Å
246	D	86	Confident	87	Confident	27 Å²	27	48.6 Å²	48.6	14%	0.144	25%	0.246	C	C	.	.			trans	-95.5	101.8	-177	-170.1	-4.4	0	0	0	111.7	Y241 P243 Y248 N249 W274	Y241-D246 HydrophobicContact CE2-CB 3.9Å; Y241-D246 WeakPolarHBondContact CE2-OD2 3.28Å; P243-D246 PolarHBondContact O-N 3.48Å; D246-Y248 PolarHBondContact O-N 3.01Å; D246-Y248 WeakPolarHBondContact OD1-CB 3.39Å; D246-Y248 PolarHBondContact OD1-N 2.76Å; D246-N249 HydrophobicContact CB-CB 3.98Å; D246-N249 VanDerWaalsContact O-CB 3.26Å; D246-N249 WeakPolarHBondContact O-CB 3.27Å; D246-N249 PolarHBondContact O-N 3.21Å; D246-W274 WeakPolarHBondContact OD2-CH2 3.45Å
247	F	84.1	Confident	86.9	Confident	157 Å²	157	50.7 Å²	50.7	69%	0.689	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-25.9	176.6	-174	-95.3	0	0	0	113.2	H134 N249	H134-F247 PolarHBondContact CE1-O 3.29Å; H134-F247 PolarHBondContact NE2-O 3.09Å; F247-N249 VanDerWaalsContact C-N 3.28Å
248	Y	83	Confident	86.9	Confident	102 Å²	102	51.1 Å²	51.1	40%	0.4	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-10.7	179.4	-60.6	-80.4	0	0	0	112.7	D246 P250 W274 I300	D246-Y248 PolarHBondContact O-N 3.01Å; D246-Y248 WeakPolarHBondContact OD1-CB 3.39Å; D246-Y248 PolarHBondContact OD1-N 2.76Å; Y248-P250 VanDerWaalsContact O-CD 3.3Å; Y248-P250 WeakPolarHBondContact O-CD 3.36Å; Y248-W274 WeakPolarHBondContact O-CZ2 3.37Å; Y248-I300 HydrophobicContact CD2-CD1 3.6Å; Y248-I300 HydrophobicContact CD2-CG1 3.85Å; Y248-I300 HydrophobicContact CE2-CD1 4.14Å; Y248-I300 HydrophobicContact CE2-CG1 3.89Å; Y248-I300 HydrophobicContact CE2-CG2 4.21Å; Y248-I300 HydrophobicContact CG-CD1 4.11Å; Y248-I300 HydrophobicContact CG-CG1 4.39Å
249	N	83	Confident	86.8	Confident	6 Å²	6	51.8 Å²	51.8	3%	0.032	28%	0.277	C	S	.	.			trans	-71.8	116.3	-178.9	-171.2	-10.7	0	0	0	110.8	Y241 D246 F247 C251 P252 S255 W274	Y241-N249 PolarHBondContact OH-ND2 3.07Å; Y241-N249 VanDerWaalsContact OH-ND2 3.1Å; D246-N249 HydrophobicContact CB-CB 3.98Å; D246-N249 VanDerWaalsContact O-CB 3.26Å; D246-N249 WeakPolarHBondContact O-CB 3.27Å; D246-N249 PolarHBondContact O-N 3.21Å; F247-N249 VanDerWaalsContact C-N 3.28Å; N249-C251 VanDerWaalsContact C-N 3.35Å; N249-C251 VanDerWaalsContact OD1-C 3.25Å; N249-C251 PolarHBondContact OD1-N 3.4Å; N249-C251 PolarHBondContact OD1-O 3.49Å; N249-P252 HydrophobicContact CB-CG 4.45Å; N249-P252 WeakPolarHBondContact ND2-CA 3.44Å; N249-S255 WeakPolarHBondContact ND2-CB 3.43Å; N249-S255 PolarHBondContact ND2-OG 2.98Å; N249-S255 PolarHBondContact OD1-OG 3.36Å; N249-W274 HydrophobicContact CB-CH2 3.62Å; N249-W274 HydrophobicContact CB-CZ2 4.01Å; N249-W274 HydrophobicContact CB-CZ3 4.4Å
250	P	75.9	Confident	86.7	Confident	32 Å²	32	55.7 Å²	55.7	21%	0.208	29%	0.291	C	S	.	.	S	Bend	trans	-74.9	-30.1	-176.6	35.5	-39	0	0	0	110.1	R145 Y248 W274	R145-P250 PolarHBondContact NH1-O 3.39Å; R145-P250 PolarHBondContact NH2-O 2.9Å; Y248-P250 VanDerWaalsContact O-CD 3.3Å; Y248-P250 WeakPolarHBondContact O-CD 3.36Å; P250-W274 VanDerWaalsContact CD-CE2 3.41Å
251	C	78.3	Confident	86.6	Confident	5 Å²	5	53 Å²	53	3%	0.034	28%	0.284	C	S	.	.			trans	-139	84.3	178.8	48.1	0	0	0	0	111.1	R145 N249 E253 A254 S255 L290	R145-C251 PolarHBondContact NH1-SG 3.26Å; N249-C251 VanDerWaalsContact C-N 3.35Å; N249-C251 VanDerWaalsContact OD1-C 3.25Å; N249-C251 PolarHBondContact OD1-N 3.4Å; N249-C251 PolarHBondContact OD1-O 3.49Å; C251-E253 VanDerWaalsContact CA-OE2 3.29Å; C251-E253 WeakPolarHBondContact CA-OE2 3.36Å; C251-E253 WeakPolarHBondContact CB-OE1 3.3Å; C251-E253 PolarHBondContact O-N 3.04Å; C251-A254 HydrophobicContact CB-CB 4.27Å; C251-A254 PolarHBondContact O-N 3.29Å; C251-S255 PolarHBondContact O-N 3.32Å; C251-S255 PolarHBondContact O-OG 3.31Å; C251-L290 WeakPolarHBondContact SG-CD1 3.19Å
252	P	84.8	Confident	86.5	Confident	26 Å²	26	54.9 Å²	54.9	17%	0.169	30%	0.296	C	S	.	.	G	3₁₀ helix	trans	-51.1	-36.9	174.4	-26.7	35.8	0	0	0	113.6	P243 N249 A254 S255	P243-P252 HydrophobicContact CB-CB 4.22Å; N249-P252 HydrophobicContact CB-CG 4.45Å; N249-P252 WeakPolarHBondContact ND2-CA 3.44Å; P252-A254 VanDerWaalsContact C-N 3.32Å; P252-A254 PolarHBondContact O-N 3.08Å; P252-S255 WeakPolarHBondContact O-CB 3.01Å; P252-S255 PolarHBondContact O-N 2.71Å; P252-S255 VanDerWaalsContact O-N 3.16Å
253	E	79.3	Confident	86.5	Confident	118 Å²	118	52.5 Å²	52.5	55%	0.551	28%	0.283	S	S	*	.	G	3₁₀ helix	trans	-66.7	-27.6	-178	71.8	-74.3	175.3	0	0	114.3	C251	C251-E253 VanDerWaalsContact CA-OE2 3.29Å; C251-E253 WeakPolarHBondContact CA-OE2 3.36Å; C251-E253 WeakPolarHBondContact CB-OE1 3.3Å; C251-E253 PolarHBondContact O-N 3.04Å
254	A	81.6	Confident	86.5	Confident	23 Å²	23	52.2 Å²	52.2	19%	0.19	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-100.2	4.9	177.1	0	0	0	0	0	112.6	I161 C251 P252 G289 L290	I161-A254 HydrophobicContact CD1-CB 3.9Å; C251-A254 HydrophobicContact CB-CB 4.27Å; C251-A254 PolarHBondContact O-N 3.29Å; P252-A254 VanDerWaalsContact C-N 3.32Å; P252-A254 PolarHBondContact O-N 3.08Å; A254-G289 CarbonylContact O-C 3.57Å; A254-G289 WeakPolarHBondContact O-CA 3.43Å; A254-L290 PolarHBondContact O-N 3.22Å
255	S	88	Confident	86.6	Confident	15 Å²	15	51.8 Å²	51.8	11%	0.105	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-96.1	150.7	-177.1	-62.7	0	0	0	0	111.7	N249 C251 P252 L290	N249-S255 WeakPolarHBondContact ND2-CB 3.43Å; N249-S255 PolarHBondContact ND2-OG 2.98Å; N249-S255 PolarHBondContact OD1-OG 3.36Å; C251-S255 PolarHBondContact O-N 3.32Å; C251-S255 PolarHBondContact O-OG 3.31Å; P252-S255 WeakPolarHBondContact O-CB 3.01Å; P252-S255 PolarHBondContact O-N 2.71Å; P252-S255 VanDerWaalsContact O-N 3.16Å; S255-L290 CarbonylContact C-O 3.51Å; S255-L290 WeakPolarHBondContact CA-O 3.46Å
256	L	89.8	Confident	86.7	Confident	25 Å²	25	46.5 Å²	46.5	13%	0.131	24%	0.242	C	C	.	.	P	Polyproline II helix	trans	-92.2	122.1	176.1	-66.4	176.8	0	0	0	110	Y241 A277 L290 V291	Y241-L256 VanDerWaalsContact CD1-O 3.26Å; Y241-L256 WeakPolarHBondContact CD1-O 3.46Å; L256-A277 WeakPolarHBondContact CD1-O 3.22Å; L256-L290 PolarHBondContact N-O 2.61Å; L256-V291 HydrophobicContact CB-CG1 4.08Å; L256-V291 HydrophobicContact CD1-CG1 4.48Å
257	A	92.2	Very high	86.7	Confident	57 Å²	57	47.1 Å²	47.1	47%	0.471	25%	0.248	S	C	.	.	P	Polyproline II helix	trans	-75.6	138.4	161.7	0	0	0	0	0	109.8	Y241 P243 L279	Y241-A257 WeakPolarHBondContact O-CA 3.4Å; P243-A257 HydrophobicContact CG-CB 4.22Å; A257-L279 WeakPolarHBondContact O-CD1 3.39Å
258	F	92	Very high	86.7	Confident	9 Å²	9	40 Å²	40	4%	0.039	22%	0.217	C	C	.	.	B	Isolated β-bridge	trans	-148.3	153.2	178	59.2	-101.8	0	0	0	111.3	A237 F239 Y241 D262 L264 L279 V291 Y342	A237-F258 HydrophobicContact CB-CD2 3.41Å; A237-F258 VanDerWaalsContact CB-CD2 3.41Å; A237-F258 HydrophobicContact CB-CE2 3.57Å; A237-F258 HydrophobicContact CB-CG 4.4Å; F239-F258 HydrophobicContact CD2-CE2 4.38Å; F239-F258 HydrophobicContact CE1-CE2 4.21Å; F239-F258 HydrophobicContact CE1-CZ 4.32Å; F239-F258 AromaticContact CE2-CE2 3.94Å; F239-F258 HydrophobicContact CE2-CE2 3.94Å; F239-F258 AromaticContact CE2-CZ 3.88Å; F239-F258 HydrophobicContact CE2-CZ 3.88Å; F239-F258 AromaticContact CZ-CE2 3.83Å; F239-F258 HydrophobicContact CZ-CE2 3.83Å; F239-F258 AromaticContact CZ-CZ 3.62Å; F239-F258 HydrophobicContact CZ-CZ 3.62Å; Y241-F258 VanDerWaalsContact CB-CE2 3.44Å; Y241-F258 AromaticContact CD1-CD1 3.97Å; Y241-F258 HydrophobicContact CD1-CD1 3.97Å; Y241-F258 AromaticContact CD1-CE1 3.46Å; Y241-F258 HydrophobicContact CD1-CE1 3.46Å; Y241-F258 VanDerWaalsContact CD1-CE1 3.46Å; Y241-F258 AromaticContact CD1-CZ 3.97Å; Y241-F258 HydrophobicContact CD1-CZ 3.97Å; Y241-F258 HydrophobicContact CE1-CE1 4.45Å; Y241-F258 HydrophobicContact CG-CD1 4.46Å; Y241-F258 AromaticContact CG-CE1 3.79Å; Y241-F258 HydrophobicContact CG-CE1 3.79Å; Y241-F258 HydrophobicContact CG-CE2 4.47Å; Y241-F258 AromaticContact CG-CZ 3.79Å; Y241-F258 HydrophobicContact CG-CZ 3.79Å; Y241-F258 PolarHBondContact N-O 2.97Å; Y241-F258 PolarHBondContact O-N 3.27Å; Y241-F258 VanDerWaalsContact O-N 3.1Å; F258-D262 WeakPolarHBondContact CA-OD2 3.33Å; F258-D262 HydrophobicContact CB-CB 4.2Å; F258-L264 HydrophobicContact CB-CD2 4.49Å; F258-L264 HydrophobicContact CD1-CD1 4.16Å; F258-L264 HydrophobicContact CD1-CD2 4.26Å; F258-L264 HydrophobicContact CE1-CD1 4.13Å; F258-L264 HydrophobicContact CG-CD1 4.47Å; F258-L264 HydrophobicContact CG-CD2 4.48Å; F258-L264 HydrophobicContact CZ-CD1 4.42Å; F258-L279 HydrophobicContact CB-CD2 3.94Å; F258-V291 HydrophobicContact CD1-CG1 4.08Å; F258-V291 HydrophobicContact CE1-CB 4.1Å; F258-V291 HydrophobicContact CE1-CG1 3.78Å; F258-Y342 HydrophobicContact CE1-CE1 4.4Å; F258-Y342 HydrophobicContact CE2-CE1 4.1Å; F258-Y342 AromaticContact CZ-CE1 3.72Å; F258-Y342 HydrophobicContact CZ-CE1 3.72Å; F258-Y342 AromaticContact CZ-CZ 3.93Å; F258-Y342 VanDerWaalsContact CZ-OH 3.26Å; F258-Y342 WeakPolarHBondContact CZ-OH 3.33Å
259	G	89.5	Confident	86.9	Confident	21 Å²	21	37.8 Å²	37.8	22%	0.216	21%	0.212	C	C	.	.			trans	-101	166.5	174.3	0	0	0	0	0	112.8	D240 G261 D262	D240-G259 WeakPolarHBondContact OD1-CA 3.47Å; G259-G261 PolarHBondContact O-N 3.5Å; G259-D262 PolarHBondContact N-OD2 3.34Å; G259-D262 WeakPolarHBondContact O-CB 3.31Å; G259-D262 PolarHBondContact O-N 3.36Å; G259-D262 VanDerWaalsContact O-N 3.16Å
260	R	88.5	Confident	86.8	Confident	109 Å²	109	41.3 Å²	41.3	41%	0.411	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.8	130.8	168.6	-68.8	171.7	-155.7	-154.2	0.8	110.4	F239 D240 T514	F239-R260 VanDerWaalsContact C-CG 3.4Å; F239-R260 VanDerWaalsContact CA-CG 3.46Å; D240-R260 WeakPolarHBondContact OD1-CG 3.45Å; D240-R260 PolarHBondContact OD1-N 3.41Å; D240-R260 IonicContact OD1-NE 2.71Å; D240-R260 IonicContact OD2-CZ 3.45Å; D240-R260 IonicContact OD2-NE 2.73Å; D240-R260 PolarHBondContact OD2-NE 3.03Å; D240-R260 IonicContact OD2-NH2 3.29Å; D240-R260 PolarHBondContact OD2-NH2 3.48Å; R260-T514 PolarHBondContact NH1-O 3.32Å; R260-T514 VanDerWaalsContact NH1-O 3.16Å
261	G	87.9	Confident	87.2	Confident	35 Å²	35	42.2 Å²	42.2	36%	0.361	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.2	-14.5	179.7	0	0	0	0	0	114.5	A237 G259	A237-G261 PolarHBondContact O-N 3.44Å; G259-G261 PolarHBondContact O-N 3.5Å
262	D	90.9	Very high	87.6	Confident	61 Å²	61	46.2 Å²	46.2	33%	0.326	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-61.9	142.3	176.5	-78.3	-21.5	0	0	0	111.2	R236 A237 F258 G259 L279	R236-D262 WeakPolarHBondContact CA-O 3.45Å; A237-D262 PolarHBondContact N-O 3.46Å; F258-D262 WeakPolarHBondContact CA-OD2 3.33Å; F258-D262 HydrophobicContact CB-CB 4.2Å; G259-D262 PolarHBondContact N-OD2 3.34Å; G259-D262 WeakPolarHBondContact O-CB 3.31Å; G259-D262 PolarHBondContact O-N 3.36Å; G259-D262 VanDerWaalsContact O-N 3.16Å; D262-L279 HydrophobicContact CB-CD2 3.71Å
263	I	92	Very high	87.7	Confident	12 Å²	12	48.1 Å²	48.1	6%	0.062	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	120.3	178	-52.6	-52.4	0	0	0	109.4	F234 L235 R236 C280 V345 W549	F234-I263 HydrophobicContact CB-CG2 4.24Å; F234-I263 HydrophobicContact CD1-CG2 4.31Å; L235-I263 CarbonylContact O-C 3.51Å; L235-I263 WeakPolarHBondContact O-CA 3.18Å; R236-I263 HydrophobicContact CB-CD1 3.75Å; R236-I263 HydrophobicContact CG-CD1 3.87Å; I263-C280 HydrophobicContact CB-CB 4.11Å; I263-C280 HydrophobicContact CG2-CB 4.3Å; I263-C280 WeakPolarHBondContact O-CB 3.39Å; I263-C280 PolarHBondContact O-N 2.85Å; I263-V345 HydrophobicContact CD1-CG2 4.17Å; I263-V345 HydrophobicContact CG2-CG2 4.27Å; I263-W549 HydrophobicContact CD1-CB 4.33Å; I263-W549 HydrophobicContact CD1-CG 4.16Å; I263-W549 HydrophobicContact CG1-CD2 4.23Å; I263-W549 HydrophobicContact CG1-CG 3.96Å; I263-W549 HydrophobicContact CG2-CD2 4.12Å; I263-W549 HydrophobicContact CG2-CE3 4.38Å; I263-W549 HydrophobicContact CG2-CH2 4.21Å; I263-W549 HydrophobicContact CG2-CZ2 3.94Å; I263-W549 HydrophobicContact CG2-CZ3 4.42Å
264	L	92.5	Very high	88.2	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	122.4	177.9	-60.1	172.7	0	0	0	109.3	F234 L235 F258 A277 K278 L279 V291 Y342	F234-L264 CarbonylContact C-O 3.58Å; F234-L264 WeakPolarHBondContact CA-O 3.43Å; L235-L264 HydrophobicContact CB-CB 4.38Å; L235-L264 PolarHBondContact N-O 2.68Å; L235-L264 PolarHBondContact O-N 3.14Å; F258-L264 HydrophobicContact CB-CD2 4.49Å; F258-L264 HydrophobicContact CD1-CD1 4.16Å; F258-L264 HydrophobicContact CD1-CD2 4.26Å; F258-L264 HydrophobicContact CE1-CD1 4.13Å; F258-L264 HydrophobicContact CG-CD1 4.47Å; F258-L264 HydrophobicContact CG-CD2 4.48Å; F258-L264 HydrophobicContact CZ-CD1 4.42Å; L264-A277 HydrophobicContact CB-CB 4.34Å; L264-K278 CarbonylContact C-O 3.52Å; L264-K278 WeakPolarHBondContact CA-O 3.44Å; L264-L279 HydrophobicContact CD2-CD2 3.55Å; L264-L279 HydrophobicContact CD2-CG 3.96Å; L264-V291 HydrophobicContact CD1-CG1 4.32Å; L264-Y342 HydrophobicContact CD1-CD1 3.98Å; L264-Y342 HydrophobicContact CD1-CE1 3.46Å; L264-Y342 VanDerWaalsContact CD1-CE1 3.46Å
265	R	91.8	Very high	88.7	Confident	118 Å²	118	44.2 Å²	44.2	45%	0.445	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.8	118.7	165.5	-177.8	179.5	175.4	-177	-1	108.7	F234 A277 K278	F234-R265 HydrophobicContact CD1-CB 3.81Å; F234-R265 HydrophobicContact CD1-CG 4.07Å; F234-R265 HydrophobicContact CE1-CB 3.73Å; F234-R265 HydrophobicContact CE1-CG 3.69Å; F234-R265 HydrophobicContact CZ-CG 4.28Å; R265-A277 CarbonylContact O-C 3.58Å; R265-A277 VanDerWaalsContact O-CA 3.27Å; R265-A277 WeakPolarHBondContact O-CA 3.48Å; R265-K278 PolarHBondContact N-O 3.3Å; R265-K278 PolarHBondContact O-N 2.93Å
266	L	90.4	Very high	88.8	Confident	19 Å²	19	43.9 Å²	43.9	10%	0.099	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	135.3	176	-62.1	176.9	0	0	0	110.2	V233 L235 L269 W275 A277	V233-L266 HydrophobicContact CB-CB 4.38Å; V233-L266 HydrophobicContact CB-CD1 4.03Å; V233-L266 HydrophobicContact CG1-CD1 3.71Å; V233-L266 PolarHBondContact O-N 2.84Å; L235-L266 HydrophobicContact CD1-CD1 3.56Å; L235-L266 HydrophobicContact CD1-CD2 3.8Å; L235-L266 HydrophobicContact CD1-CG 3.91Å; L235-L266 HydrophobicContact CD2-CD1 4.4Å; L235-L266 HydrophobicContact CG-CD1 3.8Å; L235-L266 HydrophobicContact CG-CD2 4.4Å; L235-L266 HydrophobicContact CG-CG 4.06Å; L266-L269 HydrophobicContact CB-CD2 4.16Å; L266-L269 HydrophobicContact CD1-CD1 4.08Å; L266-L269 HydrophobicContact CD1-CD2 3.65Å; L266-L269 HydrophobicContact CD1-CG 4.37Å; L266-L269 HydrophobicContact CD2-CD2 4.01Å; L266-L269 HydrophobicContact CG-CD2 4.14Å; L266-W275 HydrophobicContact CD2-CE3 4.11Å; L266-A277 HydrophobicContact CD2-CB 4.05Å
267	C	86.2	Confident	88.9	Confident	40 Å²	40	42.7 Å²	42.7	27%	0.27	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	-38.9	179.4	-61.9	0	0	0	0	111.8	Q276 V288	C267-Q276 WeakPolarHBondContact CA-O 3.46Å; C267-Q276 HydrophobicContact CB-CB 4.46Å; C267-Q276 WeakPolarHBondContact CB-O 3.5Å; C267-Q276 PolarHBondContact N-O 3.42Å; C267-V288 HydrophobicContact CB-CG1 4.27Å
268	D	84.1	Confident	88.8	Confident	8 Å²	8	42.7 Å²	42.7	4%	0.043	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.5	131.4	178.6	-159.2	-22.6	0	0	0	111	R162 S270 W275 Q276	R162-D268 HydrophobicContact CG-CB 3.9Å; R162-D268 IonicContact CZ-OD2 3.3Å; R162-D268 VanDerWaalsContact CZ-OD2 3.3Å; R162-D268 IonicContact NE-OD2 2.77Å; R162-D268 PolarHBondContact NE-OD2 3.09Å; R162-D268 IonicContact NH2-OD2 2.92Å; R162-D268 PolarHBondContact NH2-OD2 2.87Å; D268-S270 WeakPolarHBondContact OD1-CB 3.43Å; D268-S270 PolarHBondContact OD1-N 3.38Å; D268-S270 PolarHBondContact OD1-OG 3.49Å; D268-S270 PolarHBondContact OD2-OG 2.99Å; D268-W275 WeakPolarHBondContact O-CA 3.29Å; D268-Q276 HydrophobicContact CB-CB 3.79Å; D268-Q276 HydrophobicContact CB-CG 3.93Å; D268-Q276 PolarHBondContact N-O 3.28Å; D268-Q276 PolarHBondContact O-N 3.24Å
269	L	86.6	Confident	88.7	Confident	54 Å²	54	43.1 Å²	43.1	28%	0.283	23%	0.225	S	C	.	.			trans	-119	12.8	178.8	-54.9	177	0	0	0	111.7	L266 D271 W275	L266-L269 HydrophobicContact CB-CD2 4.16Å; L266-L269 HydrophobicContact CD1-CD1 4.08Å; L266-L269 HydrophobicContact CD1-CD2 3.65Å; L266-L269 HydrophobicContact CD1-CG 4.37Å; L266-L269 HydrophobicContact CD2-CD2 4.01Å; L266-L269 HydrophobicContact CG-CD2 4.14Å; L269-D271 VanDerWaalsContact C-N 3.27Å; L269-D271 PolarHBondContact O-N 3.45Å; L269-W275 HydrophobicContact CD2-CB 3.87Å; L269-W275 HydrophobicContact CD2-CD2 3.52Å; L269-W275 HydrophobicContact CD2-CE3 4.08Å; L269-W275 HydrophobicContact CD2-CG 3.42Å; L269-W275 VanDerWaalsContact CD2-CG 3.42Å
270	S	81.1	Confident	88.3	Confident	80 Å²	80	43.4 Å²	43.4	56%	0.559	22%	0.223	S	C	*	.			trans	-62.1	-34.3	-178.3	51.1	0	0	0	0	112.9	D268	D268-S270 WeakPolarHBondContact OD1-CB 3.43Å; D268-S270 PolarHBondContact OD1-N 3.38Å; D268-S270 PolarHBondContact OD1-OG 3.49Å; D268-S270 PolarHBondContact OD2-OG 2.99Å
271	D	84.4	Confident	87.4	Confident	51 Å²	51	45 Å²	45	27%	0.273	24%	0.235	S	C	.	.	S	Bend	trans	-85.5	130	174.6	-168.2	-76.8	0	0	0	111.2	R159 L269 N273 W274 W275	R159-D271 IonicContact CZ-OD2 3.56Å; R159-D271 IonicContact NE-OD2 3.88Å; R159-D271 IonicContact NH2-OD1 3.81Å; R159-D271 PolarHBondContact NH2-OD1 3.37Å; R159-D271 IonicContact NH2-OD2 2.59Å; R159-D271 PolarHBondContact NH2-OD2 2.85Å; L269-D271 VanDerWaalsContact C-N 3.27Å; L269-D271 PolarHBondContact O-N 3.45Å; D271-N273 VanDerWaalsContact C-N 3.29Å; D271-N273 PolarHBondContact O-N 2.82Å; D271-N273 PolarHBondContact OD1-N 2.79Å; D271-W274 WeakPolarHBondContact CB-O 3.21Å; D271-W274 PolarHBondContact OD1-N 2.89Å; D271-W275 VanDerWaalsContact O-CD1 3.25Å
272	E	85.7	Confident	86.2	Confident	90 Å²	90	45.2 Å²	45.2	42%	0.421	23%	0.231	S	C	.	.	S	Bend	trans	-67.8	-27	-176.2	-59.4	-158.8	144.7	0	0	114.2	S293 K295	E272-S293 WeakPolarHBondContact O-CB 3.33Å; E272-S293 PolarHBondContact O-OG 3.37Å; E272-K295 IonicContact OE1-NZ 2.98Å; E272-K295 IonicContact OE2-NZ 3.04Å; E272-K295 PolarHBondContact OE2-NZ 3.08Å
273	N	87.8	Confident	84.4	Confident	65 Å²	65	48.1 Å²	48.1	35%	0.348	26%	0.256	S	S	.	.	S	Bend	trans	-107.7	-30	-172	-72	-33.8	0	0	0	112.4	D271 S293 L296	D271-N273 VanDerWaalsContact C-N 3.29Å; D271-N273 PolarHBondContact O-N 2.82Å; D271-N273 PolarHBondContact OD1-N 2.79Å; N273-S293 WeakPolarHBondContact CA-OG 3.19Å; N273-S293 WeakPolarHBondContact O-CB 3.32Å; N273-S293 PolarHBondContact O-N 2.91Å; N273-S293 PolarHBondContact O-OG 3.32Å; N273-L296 HydrophobicContact CB-CB 4.34Å; N273-L296 HydrophobicContact CB-CD2 4.27Å; N273-L296 VanDerWaalsContact O-CD2 3.26Å; N273-L296 WeakPolarHBondContact O-CD2 3.29Å
274	W	89.6	Confident	82.4	Confident	17 Å²	17	52.9 Å²	52.9	6%	0.064	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	95.7	-171.5	-68.6	99.8	0	0	0	111.9	Y241 D246 Y248 N249 P250 D271 L290 V291 P292 L296	Y241-W274 WeakPolarHBondContact OH-CH2 3.39Å; Y241-W274 VanDerWaalsContact OH-CZ3 3.29Å; Y241-W274 WeakPolarHBondContact OH-CZ3 3.5Å; D246-W274 WeakPolarHBondContact OD2-CH2 3.45Å; Y248-W274 WeakPolarHBondContact O-CZ2 3.37Å; N249-W274 HydrophobicContact CB-CH2 3.62Å; N249-W274 HydrophobicContact CB-CZ2 4.01Å; N249-W274 HydrophobicContact CB-CZ3 4.4Å; P250-W274 VanDerWaalsContact CD-CE2 3.41Å; D271-W274 WeakPolarHBondContact CB-O 3.21Å; D271-W274 PolarHBondContact OD1-N 2.89Å; W274-L290 HydrophobicContact CE3-CB 4.13Å; W274-V291 CarbonylContact C-O 3.29Å; W274-V291 WeakPolarHBondContact CA-O 3.47Å; W274-P292 HydrophobicContact CH2-CB 4.35Å; W274-P292 HydrophobicContact CZ3-CB 4.1Å; W274-L296 HydrophobicContact CD2-CD2 4.25Å; W274-L296 HydrophobicContact CH2-CD2 4.06Å; W274-L296 HydrophobicContact CZ2-CD2 3.5Å; W274-L296 VanDerWaalsContact CZ2-CD2 3.5Å
275	W	92	Very high	80.7	Confident	42 Å²	42	58.4 Å²	58.4	16%	0.159	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	152.6	176.4	-60.3	-21.8	0	0	0	111.4	L235 L266 D268 L269 D271 L290 V291 S294 Y342	L235-W275 HydrophobicContact CD1-CE3 4.34Å; L235-W275 HydrophobicContact CD1-CZ3 3.87Å; L266-W275 HydrophobicContact CD2-CE3 4.11Å; D268-W275 WeakPolarHBondContact O-CA 3.29Å; L269-W275 HydrophobicContact CD2-CB 3.87Å; L269-W275 HydrophobicContact CD2-CD2 3.52Å; L269-W275 HydrophobicContact CD2-CE3 4.08Å; L269-W275 HydrophobicContact CD2-CG 3.42Å; L269-W275 VanDerWaalsContact CD2-CG 3.42Å; D271-W275 VanDerWaalsContact O-CD1 3.25Å; W275-L290 CarbonylContact O-C 3.53Å; W275-L290 VanDerWaalsContact O-CA 3.3Å; W275-L290 WeakPolarHBondContact O-CA 3.29Å; W275-V291 HydrophobicContact CB-CG2 3.9Å; W275-V291 PolarHBondContact N-O 2.62Å; W275-V291 PolarHBondContact O-N 2.99Å; W275-S294 WeakPolarHBondContact CH2-OG 3.34Å; W275-Y342 HydrophobicContact CZ3-CD2 4.02Å; W275-Y342 HydrophobicContact CZ3-CE2 4.21Å
276	Q	90.4	Very high	79	Confident	8 Å²	8	55.2 Å²	55.2	4%	0.037	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	123.7	168.9	-53	-163.8	24.8	0	0	108.9	I160 C267 D268 V288 G289 L290	I160-Q276 PolarHBondContact O-NE2 2.87Å; C267-Q276 WeakPolarHBondContact CA-O 3.46Å; C267-Q276 HydrophobicContact CB-CB 4.46Å; C267-Q276 WeakPolarHBondContact CB-O 3.5Å; C267-Q276 PolarHBondContact N-O 3.42Å; D268-Q276 HydrophobicContact CB-CB 3.79Å; D268-Q276 HydrophobicContact CB-CG 3.93Å; D268-Q276 PolarHBondContact N-O 3.28Å; D268-Q276 PolarHBondContact O-N 3.24Å; Q276-V288 HydrophobicContact CB-CG1 3.67Å; Q276-G289 WeakPolarHBondContact CA-O 3.49Å; Q276-L290 HydrophobicContact CG-CD2 3.92Å
277	A	91.4	Very high	78.2	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	172.5	-178.1	0	0	0	0	0	110.8	L256 L264 R265 L266 V288 G289 V291	L256-A277 WeakPolarHBondContact CD1-O 3.22Å; L264-A277 HydrophobicContact CB-CB 4.34Å; R265-A277 CarbonylContact O-C 3.58Å; R265-A277 VanDerWaalsContact O-CA 3.27Å; R265-A277 WeakPolarHBondContact O-CA 3.48Å; L266-A277 HydrophobicContact CD2-CB 4.05Å; A277-V288 VanDerWaalsContact O-CA 3.31Å; A277-V288 WeakPolarHBondContact O-CA 3.45Å; A277-V288 WeakPolarHBondContact O-CG1 3.26Å; A277-G289 PolarHBondContact N-O 3.45Å; A277-G289 PolarHBondContact O-N 3.31Å; A277-V291 HydrophobicContact CB-CG1 4.09Å; A277-V291 HydrophobicContact CB-CG2 3.76Å
278	K	89.4	Confident	78.1	Confident	57 Å²	57	59.1 Å²	59.1	25%	0.248	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	138	174.3	-179.9	176.9	177.2	177.6	0	109.7	L264 R265 E285	L264-K278 CarbonylContact C-O 3.52Å; L264-K278 WeakPolarHBondContact CA-O 3.44Å; R265-K278 PolarHBondContact N-O 3.3Å; R265-K278 PolarHBondContact O-N 2.93Å; K278-E285 WeakPolarHBondContact CE-O 3.49Å; K278-E285 PolarHBondContact NZ-O 3.34Å
279	L	89.8	Confident	78.3	Confident	19 Å²	19	58.8 Å²	58.8	10%	0.099	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	128.9	172.7	-77.5	161.9	0	0	0	111	A257 F258 D262 L264	A257-L279 WeakPolarHBondContact O-CD1 3.39Å; F258-L279 HydrophobicContact CB-CD2 3.94Å; D262-L279 HydrophobicContact CB-CD2 3.71Å; L264-L279 HydrophobicContact CD2-CD2 3.55Å; L264-L279 HydrophobicContact CD2-CG 3.96Å
280	C	82.5	Confident	78.6	Confident	27 Å²	27	56.4 Å²	56.4	18%	0.182	32%	0.317	C	S	.	.	S	Bend	trans	-80.1	132.8	167.2	-63	0	0	0	0	109	I263 S282	I263-C280 HydrophobicContact CB-CB 4.11Å; I263-C280 HydrophobicContact CG2-CB 4.3Å; I263-C280 WeakPolarHBondContact O-CB 3.39Å; I263-C280 PolarHBondContact O-N 2.85Å; C280-S282 VanDerWaalsContact C-N 3.32Å; C280-S282 PolarHBondContact O-N 3.37Å
281	H	70	Confident	79.1	Confident	142 Å²	142	52.6 Å²	52.6	66%	0.657	29%	0.29	S	S	*	.	S	Bend	trans	72.3	10.4	173.2	-42.1	-36.8	0	0	0	116.9	E285 W549	H281-E285 WeakPolarHBondContact CA-OE1 3.44Å; H281-E285 PolarHBondContact N-OE1 3.09Å; H281-E285 IonicContact ND1-OE1 2.82Å; H281-W549 AromaticContact NE2-NE1 3.92Å
282	S	60.7	Low	79.5	Confident	40 Å²	40	50.1 Å²	50.1	28%	0.28	28%	0.277	S	S	.	.	S	Bend	trans	-81.2	146.6	166	-178.8	0	0	0	0	110.2	C280 N284 E285	C280-S282 VanDerWaalsContact C-N 3.32Å; C280-S282 PolarHBondContact O-N 3.37Å; S282-N284 CarbonylContact O-C 3.59Å; S282-N284 PolarHBondContact O-N 2.98Å; S282-N284 PolarHBondContact OG-N 2.85Å; S282-E285 WeakPolarHBondContact O-CA 3.38Å; S282-E285 VanDerWaalsContact O-CB 3.22Å; S282-E285 WeakPolarHBondContact O-CB 3.41Å; S282-E285 VanDerWaalsContact O-CG 3.31Å; S282-E285 WeakPolarHBondContact O-CG 3.21Å; S282-E285 PolarHBondContact O-N 3.5Å
283	S	53.7	Low	79.8	Confident	122 Å²	122	45.9 Å²	45.9	85%	0.853	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.3	-22.7	171.9	50.4	0	0	0	0	112.8	E285	S283-E285 PolarHBondContact O-N 3.39Å
284	N	51.3	Low	79.8	Confident	112 Å²	112	44.2 Å²	44.2	60%	0.599	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	42	169.1	-74.3	-12.7	0	0	0	112.5	S282 G286 N287	S282-N284 CarbonylContact O-C 3.59Å; S282-N284 PolarHBondContact O-N 2.98Å; S282-N284 PolarHBondContact OG-N 2.85Å; N284-G286 PolarHBondContact O-N 2.89Å; N284-N287 PolarHBondContact O-N 3.39Å
285	E	54.9	Low	79.7	Confident	116 Å²	116	49 Å²	49	54%	0.542	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	23.5	-176.4	-121.4	-179.8	-158.7	0	0	113.7	K278 H281 S282 S283	K278-E285 WeakPolarHBondContact CE-O 3.49Å; K278-E285 PolarHBondContact NZ-O 3.34Å; H281-E285 WeakPolarHBondContact CA-OE1 3.44Å; H281-E285 PolarHBondContact N-OE1 3.09Å; H281-E285 IonicContact ND1-OE1 2.82Å; S282-E285 WeakPolarHBondContact O-CA 3.38Å; S282-E285 VanDerWaalsContact O-CB 3.22Å; S282-E285 WeakPolarHBondContact O-CB 3.41Å; S282-E285 VanDerWaalsContact O-CG 3.31Å; S282-E285 WeakPolarHBondContact O-CG 3.21Å; S282-E285 PolarHBondContact O-N 3.5Å; S283-E285 PolarHBondContact O-N 3.39Å
286	G	57.3	Low	79.5	Confident	50 Å²	50	47.6 Å²	47.6	52%	0.515	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.5	-35.1	-178.5	0	0	0	0	0	115	N284	N284-G286 PolarHBondContact O-N 2.89Å
287	N	73.3	Confident	79.4	Confident	114 Å²	114	48.5 Å²	48.5	61%	0.61	27%	0.272	S	S	*	.			trans	-92.1	125.2	-165.4	-70.1	-1.1	0	0	0	111.8	N284	N284-N287 PolarHBondContact O-N 3.39Å
288	V	84.9	Confident	79.1	Confident	27 Å²	27	53.1 Å²	53.1	16%	0.164	29%	0.293	C	S	.	.			trans	-77.2	138.7	164.2	179.2	0	0	0	0	107.4	I161 R162 C267 Q276 A277	I161-V288 HydrophobicContact CG2-CB 4.37Å; R162-V288 HydrophobicContact CB-CG1 4.29Å; R162-V288 WeakPolarHBondContact O-CB 3.45Å; R162-V288 WeakPolarHBondContact O-CG2 3.27Å; C267-V288 HydrophobicContact CB-CG1 4.27Å; Q276-V288 HydrophobicContact CB-CG1 3.67Å; A277-V288 VanDerWaalsContact O-CA 3.31Å; A277-V288 WeakPolarHBondContact O-CA 3.45Å; A277-V288 WeakPolarHBondContact O-CG1 3.26Å
289	G	88	Confident	78.9	Confident	2 Å²	2	53 Å²	53	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	178.1	169.1	0	0	0	0	0	111.5	A254 Q276 A277	A254-G289 CarbonylContact O-C 3.57Å; A254-G289 WeakPolarHBondContact O-CA 3.43Å; Q276-G289 WeakPolarHBondContact CA-O 3.49Å; A277-G289 PolarHBondContact N-O 3.45Å; A277-G289 PolarHBondContact O-N 3.31Å
290	L	91.4	Very high	78.7	Confident	3 Å²	3	52.9 Å²	52.9	2%	0.016	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	140.8	-174.7	-56.6	177.9	0	0	0	112.1	C251 A254 S255 L256 W274 W275 Q276	C251-L290 WeakPolarHBondContact SG-CD1 3.19Å; A254-L290 PolarHBondContact O-N 3.22Å; S255-L290 CarbonylContact C-O 3.51Å; S255-L290 WeakPolarHBondContact CA-O 3.46Å; L256-L290 PolarHBondContact N-O 2.61Å; W274-L290 HydrophobicContact CE3-CB 4.13Å; W275-L290 CarbonylContact O-C 3.53Å; W275-L290 VanDerWaalsContact O-CA 3.3Å; W275-L290 WeakPolarHBondContact O-CA 3.29Å; Q276-L290 HydrophobicContact CG-CD2 3.92Å
291	V	92.2	Very high	78.6	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	145.7	170.3	-60.4	0	0	0	0	108.8	L256 F258 L264 W274 W275 A277	L256-V291 HydrophobicContact CB-CG1 4.08Å; L256-V291 HydrophobicContact CD1-CG1 4.48Å; F258-V291 HydrophobicContact CD1-CG1 4.08Å; F258-V291 HydrophobicContact CE1-CB 4.1Å; F258-V291 HydrophobicContact CE1-CG1 3.78Å; L264-V291 HydrophobicContact CD1-CG1 4.32Å; W274-V291 CarbonylContact C-O 3.29Å; W274-V291 WeakPolarHBondContact CA-O 3.47Å; W275-V291 HydrophobicContact CB-CG2 3.9Å; W275-V291 PolarHBondContact N-O 2.62Å; W275-V291 PolarHBondContact O-N 2.99Å; A277-V291 HydrophobicContact CB-CG1 4.09Å; A277-V291 HydrophobicContact CB-CG2 3.76Å
292	P	93.3	Very high	79.2	Confident	0 Å²	0	52.2 Å²	52.2	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	141.5	179.1	27.4	-34.9	0	0	0	110	F239 Y241 W274 L296 L297 Y342	F239-P292 HydrophobicContact CZ-CG 4.5Å; Y241-P292 HydrophobicContact CD2-CG 4.13Å; Y241-P292 HydrophobicContact CE2-CG 3.97Å; Y241-P292 HydrophobicContact CG-CG 4.5Å; W274-P292 HydrophobicContact CH2-CB 4.35Å; W274-P292 HydrophobicContact CZ3-CB 4.1Å; P292-L296 HydrophobicContact CB-CD2 3.91Å; P292-L297 HydrophobicContact CB-CD2 4.01Å; P292-L297 HydrophobicContact CB-CG 4.09Å; P292-L297 HydrophobicContact CG-CD1 4.39Å; P292-L297 HydrophobicContact CG-CD2 3.85Å; P292-L297 HydrophobicContact CG-CG 4.19Å; P292-Y342 VanDerWaalsContact O-CE2 3.24Å; P292-Y342 WeakPolarHBondContact O-CE2 3.47Å; P292-Y342 PolarHBondContact O-OH 3.06Å; P292-Y342 VanDerWaalsContact O-OH 3.11Å
293	S	91.1	Very high	80.1	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.294	C	S	.	.			trans	-72.6	160	175.4	78.2	0	0	0	0	111	E272 N273 K295 L296 L297	E272-S293 WeakPolarHBondContact O-CB 3.33Å; E272-S293 PolarHBondContact O-OG 3.37Å; N273-S293 WeakPolarHBondContact CA-OG 3.19Å; N273-S293 WeakPolarHBondContact O-CB 3.32Å; N273-S293 PolarHBondContact O-N 2.91Å; N273-S293 PolarHBondContact O-OG 3.32Å; S293-K295 PolarHBondContact O-N 3.49Å; S293-K295 PolarHBondContact OG-N 2.92Å; S293-L296 PolarHBondContact O-N 2.74Å; S293-L296 PolarHBondContact OG-N 2.95Å; S293-L297 WeakPolarHBondContact O-CG 3.45Å; S293-L297 PolarHBondContact O-N 2.91Å
294	S	89.2	Confident	81.3	Confident	31 Å²	31	52.1 Å²	52.1	22%	0.217	28%	0.279	C	S	.	.	H	α-helix	trans	-60.4	-30.2	172.3	-63	0	0	0	0	112.4	W275 K298	W275-S294 WeakPolarHBondContact CH2-OG 3.34Å; S294-K298 VanDerWaalsContact O-CG 3.3Å; S294-K298 WeakPolarHBondContact O-CG 3.48Å; S294-K298 PolarHBondContact O-N 3.45Å; S294-K298 VanDerWaalsContact O-N 3.17Å
295	K	87	Confident	82.4	Confident	116 Å²	116	52 Å²	52	50%	0.504	27%	0.27	S	S	.	.	H	α-helix	trans	-67.8	-46.1	176.1	-173.9	-178.7	179	-177.2	0	110.9	E272 S293 K298 S299	E272-K295 IonicContact OE1-NZ 2.98Å; E272-K295 IonicContact OE2-NZ 3.04Å; E272-K295 PolarHBondContact OE2-NZ 3.08Å; S293-K295 PolarHBondContact O-N 3.49Å; S293-K295 PolarHBondContact OG-N 2.92Å; K295-K298 PolarHBondContact O-N 3.46Å; K295-S299 PolarHBondContact O-N 3.3Å
296	L	88.4	Confident	83.2	Confident	14 Å²	14	50.8 Å²	50.8	7%	0.073	27%	0.271	C	S	.	.	H	α-helix	trans	-62.8	-43	176.8	179.8	62.4	0	0	0	111.7	N273 W274 P292 S293 K298 S299 I300	N273-L296 HydrophobicContact CB-CB 4.34Å; N273-L296 HydrophobicContact CB-CD2 4.27Å; N273-L296 VanDerWaalsContact O-CD2 3.26Å; N273-L296 WeakPolarHBondContact O-CD2 3.29Å; W274-L296 HydrophobicContact CD2-CD2 4.25Å; W274-L296 HydrophobicContact CH2-CD2 4.06Å; W274-L296 HydrophobicContact CZ2-CD2 3.5Å; W274-L296 VanDerWaalsContact CZ2-CD2 3.5Å; P292-L296 HydrophobicContact CB-CD2 3.91Å; S293-L296 PolarHBondContact O-N 2.74Å; S293-L296 PolarHBondContact OG-N 2.95Å; L296-K298 VanDerWaalsContact C-N 3.35Å; L296-K298 PolarHBondContact O-N 2.71Å; L296-S299 PolarHBondContact O-N 3.44Å; L296-S299 PolarHBondContact O-OG 2.85Å; L296-I300 HydrophobicContact CD1-CD1 3.95Å; L296-I300 HydrophobicContact CD1-CG1 4.2Å; L296-I300 HydrophobicContact CD2-CD1 4.5Å; L296-I300 HydrophobicContact CG-CD1 3.83Å; L296-I300 HydrophobicContact CG-CG1 4.47Å; L296-I300 VanDerWaalsContact O-CG1 3.28Å; L296-I300 WeakPolarHBondContact O-CG1 3.4Å; L296-I300 PolarHBondContact O-N 3.19Å
297	L	88.3	Confident	83.4	Confident	26 Å²	26	55 Å²	55	14%	0.136	28%	0.275	C	S	.	.	H	α-helix	trans	-61.9	-42.5	178	-68.4	169.2	0	0	0	112.2	F239 P292 S293 I300 D301 Y342	F239-L297 HydrophobicContact CE1-CD1 3.68Å; F239-L297 HydrophobicContact CE2-CD1 4.39Å; F239-L297 HydrophobicContact CE2-CD2 4.08Å; F239-L297 HydrophobicContact CZ-CD1 3.46Å; F239-L297 VanDerWaalsContact CZ-CD1 3.46Å; F239-L297 HydrophobicContact CZ-CD2 3.93Å; F239-L297 HydrophobicContact CZ-CG 4.35Å; P292-L297 HydrophobicContact CB-CD2 4.01Å; P292-L297 HydrophobicContact CB-CG 4.09Å; P292-L297 HydrophobicContact CG-CD1 4.39Å; P292-L297 HydrophobicContact CG-CD2 3.85Å; P292-L297 HydrophobicContact CG-CG 4.19Å; S293-L297 WeakPolarHBondContact O-CG 3.45Å; S293-L297 PolarHBondContact O-N 2.91Å; L297-I300 PolarHBondContact O-N 2.74Å; L297-D301 PolarHBondContact O-N 3.47Å; L297-Y342 HydrophobicContact CD1-CD2 4.33Å; L297-Y342 HydrophobicContact CD1-CE2 3.7Å
298	K	85.5	Confident	82.6	Confident	98 Å²	98	54.9 Å²	54.9	43%	0.426	28%	0.275	S	S	.	.	H	α-helix	trans	-61.4	-47.9	175	-74.1	175.5	179.3	-175.1	0	111.4	D79 S294 K295 L296 I300 D301 E302	D79-K298 IonicContact OD2-NZ 2.84Å; D79-K298 PolarHBondContact OD2-NZ 2.87Å; S294-K298 VanDerWaalsContact O-CG 3.3Å; S294-K298 WeakPolarHBondContact O-CG 3.48Å; S294-K298 PolarHBondContact O-N 3.45Å; S294-K298 VanDerWaalsContact O-N 3.17Å; K295-K298 PolarHBondContact O-N 3.46Å; L296-K298 VanDerWaalsContact C-N 3.35Å; L296-K298 PolarHBondContact O-N 2.71Å; K298-I300 VanDerWaalsContact C-N 3.32Å; K298-I300 PolarHBondContact O-N 2.9Å; K298-D301 PolarHBondContact O-N 3.29Å; K298-E302 WeakPolarHBondContact O-CG 3.47Å; K298-E302 PolarHBondContact O-N 2.86Å
299	S	85.1	Confident	81	Confident	53 Å²	53	59.6 Å²	59.6	37%	0.371	30%	0.298	S	S	.	.	H	α-helix	trans	-64.2	-36.8	-178.9	69.2	0	0	0	0	112.5	K295 L296 A303	K295-S299 PolarHBondContact O-N 3.3Å; L296-S299 PolarHBondContact O-N 3.44Å; L296-S299 PolarHBondContact O-OG 2.85Å; S299-A303 VanDerWaalsContact O-CB 3.28Å; S299-A303 WeakPolarHBondContact O-CB 3.17Å; S299-A303 PolarHBondContact O-N 2.88Å
300	I	83.9	Confident	79	Confident	18 Å²	18	63 Å²	63	9%	0.092	33%	0.326	C	S	.	.	H	α-helix	trans	-65.5	-43.1	173.8	-67.7	169.1	0	0	0	111.2	Y248 L296 L297 K298 A303 K304	Y248-I300 HydrophobicContact CD2-CD1 3.6Å; Y248-I300 HydrophobicContact CD2-CG1 3.85Å; Y248-I300 HydrophobicContact CE2-CD1 4.14Å; Y248-I300 HydrophobicContact CE2-CG1 3.89Å; Y248-I300 HydrophobicContact CE2-CG2 4.21Å; Y248-I300 HydrophobicContact CG-CD1 4.11Å; Y248-I300 HydrophobicContact CG-CG1 4.39Å; L296-I300 HydrophobicContact CD1-CD1 3.95Å; L296-I300 HydrophobicContact CD1-CG1 4.2Å; L296-I300 HydrophobicContact CD2-CD1 4.5Å; L296-I300 HydrophobicContact CG-CD1 3.83Å; L296-I300 HydrophobicContact CG-CG1 4.47Å; L296-I300 VanDerWaalsContact O-CG1 3.28Å; L296-I300 WeakPolarHBondContact O-CG1 3.4Å; L296-I300 PolarHBondContact O-N 3.19Å; L297-I300 PolarHBondContact O-N 2.74Å; K298-I300 VanDerWaalsContact C-N 3.32Å; K298-I300 PolarHBondContact O-N 2.9Å; I300-A303 PolarHBondContact O-N 2.74Å; I300-K304 HydrophobicContact CG2-CD 4.22Å; I300-K304 WeakPolarHBondContact O-CG 3.32Å; I300-K304 PolarHBondContact O-N 2.88Å
301	D	81.6	Confident	77	Confident	31 Å²	31	68.6 Å²	68.6	17%	0.166	36%	0.36	C	S	.	.	H	α-helix	trans	-65.5	-42.9	178.6	-163.8	69.5	0	0	0	111.5	L297 K298 A303 K304 R305 K340	L297-D301 PolarHBondContact O-N 3.47Å; K298-D301 PolarHBondContact O-N 3.29Å; D301-A303 PolarHBondContact O-N 3.38Å; D301-K304 PolarHBondContact O-N 2.66Å; D301-R305 WeakPolarHBondContact O-CG 3.41Å; D301-R305 PolarHBondContact O-N 2.83Å; D301-R305 IonicContact OD2-CZ 3.24Å; D301-R305 VanDerWaalsContact OD2-CZ 3.29Å; D301-R305 IonicContact OD2-NE 3.39Å; D301-R305 PolarHBondContact OD2-NE 3.29Å; D301-R305 IonicContact OD2-NH2 2.57Å; D301-R305 PolarHBondContact OD2-NH2 2.88Å; D301-K340 IonicContact OD1-NZ 2.79Å; D301-K340 PolarHBondContact OD1-NZ 3.15Å
302	E	81.8	Confident	74.6	Confident	124 Å²	124	73.7 Å²	73.7	58%	0.579	40%	0.395	S	S	*	.	H	α-helix	trans	-61.2	-43.2	174.6	-71.9	171	-172.2	0	0	112.1	K298 K304 R305 T306	K298-E302 WeakPolarHBondContact O-CG 3.47Å; K298-E302 PolarHBondContact O-N 2.86Å; E302-K304 VanDerWaalsContact C-N 3.3Å; E302-K304 PolarHBondContact O-N 3.22Å; E302-R305 PolarHBondContact O-N 2.82Å; E302-T306 WeakPolarHBondContact O-CG2 3.08Å; E302-T306 PolarHBondContact O-N 2.83Å; E302-T306 PolarHBondContact O-OG1 2.92Å
303	A	80.4	Confident	72.1	Confident	35 Å²	35	79 Å²	79	29%	0.289	43%	0.432	S	S	.	.	H	α-helix	trans	-64.9	-31.9	175.9	0	0	0	0	0	112.9	S299 I300 D301 T306 K307	S299-A303 VanDerWaalsContact O-CB 3.28Å; S299-A303 WeakPolarHBondContact O-CB 3.17Å; S299-A303 PolarHBondContact O-N 2.88Å; I300-A303 PolarHBondContact O-N 2.74Å; D301-A303 PolarHBondContact O-N 3.38Å; A303-T306 WeakPolarHBondContact CA-OG1 3.19Å; A303-T306 PolarHBondContact O-OG1 2.84Å; A303-K307 WeakPolarHBondContact O-CG 3.04Å; A303-K307 PolarHBondContact O-N 2.92Å
304	K	78.7	Confident	69.3	Low	125 Å²	125	81.5 Å²	81.5	54%	0.543	46%	0.458	S	S	.	.	H	α-helix	trans	-71.4	-47.1	173.9	-74.7	173.8	-179.6	176.4	0	111.4	I300 D301 E302 T306 K307 D308	I300-K304 HydrophobicContact CG2-CD 4.22Å; I300-K304 WeakPolarHBondContact O-CG 3.32Å; I300-K304 PolarHBondContact O-N 2.88Å; D301-K304 PolarHBondContact O-N 2.66Å; E302-K304 VanDerWaalsContact C-N 3.3Å; E302-K304 PolarHBondContact O-N 3.22Å; K304-T306 VanDerWaalsContact C-N 3.32Å; K304-T306 PolarHBondContact O-N 3.1Å; K304-K307 PolarHBondContact O-N 2.83Å; K304-K307 VanDerWaalsContact O-N 3.15Å; K304-D308 PolarHBondContact O-N 3.18Å; K304-D308 VanDerWaalsContact O-N 3.16Å
305	R	75	Confident	66.7	Low	108 Å²	108	90.3 Å²	90.3	41%	0.408	49%	0.492	S	S	.	.	H	α-helix	trans	-58.3	-42.5	178.4	-70.5	178.3	-165.8	-122.7	-4.7	112.3	D301 E302 K307 D308 L309 D337	D301-R305 WeakPolarHBondContact O-CG 3.41Å; D301-R305 PolarHBondContact O-N 2.83Å; D301-R305 IonicContact OD2-CZ 3.24Å; D301-R305 VanDerWaalsContact OD2-CZ 3.29Å; D301-R305 IonicContact OD2-NE 3.39Å; D301-R305 PolarHBondContact OD2-NE 3.29Å; D301-R305 IonicContact OD2-NH2 2.57Å; D301-R305 PolarHBondContact OD2-NH2 2.88Å; E302-R305 PolarHBondContact O-N 2.82Å; R305-K307 VanDerWaalsContact C-N 3.33Å; R305-K307 PolarHBondContact O-N 3.44Å; R305-D308 PolarHBondContact O-N 3.35Å; R305-L309 WeakPolarHBondContact O-CD1 3.48Å; R305-L309 PolarHBondContact O-N 2.87Å; R305-D337 IonicContact CZ-OD2 2.73Å; R305-D337 VanDerWaalsContact CZ-OD2 3.28Å; R305-D337 IonicContact NH1-OD2 3.91Å; R305-D337 PolarHBondContact NH1-OD2 3.02Å; R305-D337 IonicContact NH2-OD1 3.28Å; R305-D337 PolarHBondContact NH2-OD1 3.01Å; R305-D337 IonicContact NH2-OD2 2.96Å; R305-D337 PolarHBondContact NH2-OD2 3.45Å
306	T	71.3	Confident	64.1	Low	92 Å²	92	87.8 Å²	87.8	56%	0.564	50%	0.499	S	S	*	.	H	α-helix	trans	-65.3	-34.2	179	48.4	0	0	0	0	112.9	E302 A303 K304 A310	E302-T306 WeakPolarHBondContact O-CG2 3.08Å; E302-T306 PolarHBondContact O-N 2.83Å; E302-T306 PolarHBondContact O-OG1 2.92Å; A303-T306 WeakPolarHBondContact CA-OG1 3.19Å; A303-T306 PolarHBondContact O-OG1 2.84Å; K304-T306 VanDerWaalsContact C-N 3.32Å; K304-T306 PolarHBondContact O-N 3.1Å; T306-A310 PolarHBondContact O-N 3.49Å
307	K	60.3	Low	61.5	Low	138 Å²	138	93.9 Å²	93.9	60%	0.6	54%	0.537	S	S	*	.	H	α-helix	trans	-67.9	-40.9	174.1	-75.6	178.1	179.7	177	0	112.6	A303 K304 R305 L309 A310 V311	A303-K307 WeakPolarHBondContact O-CG 3.04Å; A303-K307 PolarHBondContact O-N 2.92Å; K304-K307 PolarHBondContact O-N 2.83Å; K304-K307 VanDerWaalsContact O-N 3.15Å; R305-K307 VanDerWaalsContact C-N 3.33Å; R305-K307 PolarHBondContact O-N 3.44Å; K307-L309 VanDerWaalsContact C-N 3.32Å; K307-L309 PolarHBondContact O-N 2.77Å; K307-A310 PolarHBondContact O-N 2.74Å; K307-V311 PolarHBondContact O-N 2.86Å
308	D	57.1	Low	58.7	Low	112 Å²	112	98.2 Å²	98.2	60%	0.599	57%	0.57	S	S	*	*	H	α-helix	trans	-66.3	-34.5	179.7	-69.2	-24.7	0	0	0	112.3	K304 R305 V311 C312	K304-D308 PolarHBondContact O-N 3.18Å; K304-D308 VanDerWaalsContact O-N 3.16Å; R305-D308 PolarHBondContact O-N 3.35Å; D308-V311 PolarHBondContact O-N 3.18Å; D308-C312 PolarHBondContact O-N 3.04Å; D308-C312 PolarHBondContact O-SG 3.15Å; D308-C312 VanDerWaalsContact O-SG 3.36Å
309	L	51	Low	56.2	Low	125 Å²	125	105.4 Å²	105.4	65%	0.654	59%	0.594	S	S	*	*	H	α-helix	trans	-67.7	-33.5	173.3	-82.1	148.8	0	0	0	112.9	R305 K307 S313	R305-L309 WeakPolarHBondContact O-CD1 3.48Å; R305-L309 PolarHBondContact O-N 2.87Å; K307-L309 VanDerWaalsContact C-N 3.32Å; K307-L309 PolarHBondContact O-N 2.77Å; L309-S313 PolarHBondContact O-OG 3.42Å
310	A	47	Very low	53.5	Low	74 Å²	74	114.8 Å²	114.8	61%	0.612	62%	0.622	S	S	*	*	H	α-helix	trans	-72.2	-33.5	177.4	0	0	0	0	0	112.5	T306 K307 C312	T306-A310 PolarHBondContact O-N 3.49Å; K307-A310 PolarHBondContact O-N 2.74Å; A310-C312 VanDerWaalsContact C-N 3.34Å
311	V	49.3	Very low	51.1	Low	120 Å²	120	123.4 Å²	123.4	73%	0.727	66%	0.659	S	S	*	*	H	α-helix	trans	-73.2	-25.4	178.8	174.1	0	0	0	0	112.3	K307 D308 S313	K307-V311 PolarHBondContact O-N 2.86Å; D308-V311 PolarHBondContact O-N 3.18Å; V311-S313 PolarHBondContact O-N 3.19Å
312	C	42	Very low	48.4	Very low	108 Å²	108	133.6 Å²	133.6	73%	0.73	70%	0.695	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	1.4	-178.8	-63.9	0	0	0	0	115.1	D308 A310 G314	D308-C312 PolarHBondContact O-N 3.04Å; D308-C312 PolarHBondContact O-SG 3.15Å; D308-C312 VanDerWaalsContact O-SG 3.36Å; A310-C312 VanDerWaalsContact C-N 3.34Å; C312-G314 VanDerWaalsContact C-N 3.35Å; C312-G314 PolarHBondContact O-N 3.28Å
313	S	39.5	Very low	45.8	Very low	111 Å²	111	133.1 Å²	133.1	78%	0.776	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	9.3	-178.3	-68.2	0	0	0	0	114.9	L309 V311	L309-S313 PolarHBondContact O-OG 3.42Å; V311-S313 PolarHBondContact O-N 3.19Å
314	G	33.8	Very low	43.4	Very low	53 Å²	53	135 Å²	135	55%	0.546	72%	0.721	S	S	.	*	S	Bend	trans	-140.4	68.4	-176.8	0	0	0	0	0	113.8	C312	C312-G314 VanDerWaalsContact C-N 3.35Å; C312-G314 PolarHBondContact O-N 3.28Å
315	F	34.2	Very low	41.1	Very low	215 Å²	215	137.6 Å²	137.6	94%	0.943	74%	0.735	S	S	*	*			trans	-170.4	122.7	142.8	-101.4	-73.3	0	0	0	109.1
316	G	31.3	Very low	39.1	Very low	63 Å²	63	140.8 Å²	140.8	65%	0.649	75%	0.754	S	S	*	*			trans	-80.3	174.1	-170.2	0	0	0	0	0	116.1
317	T	33.7	Very low	37.3	Very low	142 Å²	142	143.4 Å²	143.4	87%	0.871	77%	0.765	S	S	*	*			trans	85.3	95.8	157.2	68.2	0	0	0	0	118.8
318	S	29.9	Very low	35.9	Very low	118 Å²	118	140.6 Å²	140.6	83%	0.825	78%	0.775	S	S	*	*			trans	29	115.2	131.4	-75.8	0	0	0	0	119.2
319	R	32.8	Very low	34.8	Very low	248 Å²	248	142.9 Å²	142.9	94%	0.936	78%	0.782	S	S	*	*			trans	-157	115.2	132.2	-110.7	177.9	-72.9	174.1	-0.7	111.1
320	R	29.8	Very low	33.9	Very low	251 Å²	251	141.7 Å²	141.7	95%	0.947	78%	0.776	S	S	*	*			trans	-67	134.2	168.5	-73.5	176.6	-179.1	156.1	0.3	109.4
321	F	31.8	Very low	33.4	Very low	199 Å²	199	143.4 Å²	143.4	87%	0.873	78%	0.778	S	S	*	*			trans	-127.7	120.6	159.1	-132.9	-95.5	0	0	0	108.5
322	R	25.5	Very low	32.7	Very low	244 Å²	244	145.3 Å²	145.3	92%	0.921	78%	0.784	S	S	*	*			trans	-111.5	121.6	166.9	-83.3	-174.3	178	179.7	-1.1	107.6
323	S	28.2	Very low	32.5	Very low	114 Å²	114	146 Å²	146	80%	0.797	78%	0.777	S	S	*	*			trans	165	142.9	158.5	-124.2	0	0	0	0	106.7
324	A	30	Very low	32.3	Very low	75 Å²	75	144.4 Å²	144.4	62%	0.62	76%	0.764	S	S	*	*			cis	-167	147.3	-3.3	0	0	0	0	0	106.6
325	Q	30.1	Very low	32.6	Very low	180 Å²	180	142.5 Å²	142.5	84%	0.841	74%	0.743	S	S	*	*			trans	42.7	99.3	143.1	-62.3	174.1	-19.4	0	0	119.6
326	H	31.7	Very low	33.2	Very low	175 Å²	175	135.5 Å²	135.5	81%	0.81	72%	0.721	S	S	*	*				174.1	148.1	115.1	-114.1	-85.2	0	0	0	112.2
327	D	34.1	Very low	34.1	Very low	147 Å²	147	135.4 Å²	135.4	79%	0.786	71%	0.705	S	S	*	*			trans	74.1	110.5	167.1	-70.2	4.1	0	0	0	119.9	H329	D327-H329 PolarHBondContact O-N 3.17Å
328	G	31.7	Very low	35	Very low	79 Å²	79	133.9 Å²	133.9	81%	0.814	70%	0.695	S	S	*	*			trans	-71.3	116.3	177.7	0	0	0	0	0	113	L330	G328-L330 PolarHBondContact O-N 3.48Å
329	H	32.7	Very low	36.5	Very low	160 Å²	160	129.7 Å²	129.7	74%	0.741	66%	0.664	S	S	*	*				47.7	71	118.8	-114.3	-64.2	0	0	0	117.9	D327	D327-H329 PolarHBondContact O-N 3.17Å
330	L	33.2	Very low	38.2	Very low	100 Å²	100	122.1 Å²	122.1	52%	0.524	64%	0.638	S	S	.	*	S	Bend		-104.3	115	128.1	-78.5	172.4	0	0	0	105.8	G328 D332 Y424	G328-L330 PolarHBondContact O-N 3.48Å; L330-D332 PolarHBondContact O-N 3.19Å; L330-Y424 HydrophobicContact CD1-CE1 4.38Å; L330-Y424 WeakPolarHBondContact CD2-OH 3.09Å
331	V	36.2	Very low	40.9	Very low	110 Å²	110	112 Å²	112	67%	0.667	60%	0.604	S	S	*	*			trans	-46.3	129.8	-166.5	-179.8	0	0	0	0	112.2	E333	V331-E333 PolarHBondContact O-N 3.42Å
332	D	33.7	Very low	43.7	Very low	160 Å²	160	103.5 Å²	103.5	86%	0.856	57%	0.566	S	S	*	*			trans	-69.5	63.4	-173.3	-148.4	8.5	0	0	0	112.2	L330	L330-D332 PolarHBondContact O-N 3.19Å
333	E	38.7	Very low	46.8	Very low	123 Å²	123	93.8 Å²	93.8	58%	0.575	53%	0.531	S	S	*	.			trans	-103.4	110.6	166.7	-97.7	-100.6	124.3	0	0	108	V331 A335 K459	V331-E333 PolarHBondContact O-N 3.42Å; E333-A335 PolarHBondContact O-N 3.16Å; E333-K459 PolarHBondContact O-NZ 2.74Å
334	P	35.9	Very low	49.9	Very low	76 Å²	76	93.6 Å²	93.6	49%	0.494	52%	0.517	S	S	.	.			trans	-60.9	117.2	178.6	26.5	-31.3	0	0	0	106.8	S336 D337	P334-S336 PolarHBondContact O-N 3.21Å; P334-D337 PolarHBondContact O-N 3.34Å; P334-D337 VanDerWaalsContact O-N 3.1Å
335	A	40.3	Very low	52.9	Low	14 Å²	14	90.1 Å²	90.1	12%	0.116	49%	0.489	C	S	.	.	G	3₁₀ helix	trans	-49.4	-17.7	173.1	0	0	0	0	0	112.8	E333 D337 L339	E333-A335 PolarHBondContact O-N 3.16Å; A335-D337 VanDerWaalsContact C-N 3.28Å; A335-D337 PolarHBondContact O-N 3.49Å; A335-L339 WeakPolarHBondContact O-CD1 2.79Å
336	S	47.1	Very low	55.8	Low	68 Å²	68	84 Å²	84	48%	0.476	46%	0.463	S	S	.	.	G	3₁₀ helix	trans	-54.9	-30.1	175.1	-170	0	0	0	0	115.3	P334	P334-S336 PolarHBondContact O-N 3.21Å
337	D	49.9	Very low	58.6	Low	60 Å²	60	79.6 Å²	79.6	32%	0.321	45%	0.445	S	S	.	.	G	3₁₀ helix	trans	-80.9	-22.9	-171.8	-100.6	16	0	0	0	113.7	R305 P334 A335	R305-D337 IonicContact CZ-OD2 2.73Å; R305-D337 VanDerWaalsContact CZ-OD2 3.28Å; R305-D337 IonicContact NH1-OD2 3.91Å; R305-D337 PolarHBondContact NH1-OD2 3.02Å; R305-D337 IonicContact NH2-OD1 3.28Å; R305-D337 PolarHBondContact NH2-OD1 3.01Å; R305-D337 IonicContact NH2-OD2 2.96Å; R305-D337 PolarHBondContact NH2-OD2 3.45Å; P334-D337 PolarHBondContact O-N 3.34Å; P334-D337 VanDerWaalsContact O-N 3.1Å; A335-D337 VanDerWaalsContact C-N 3.28Å; A335-D337 PolarHBondContact O-N 3.49Å
338	V	51.9	Low	61.4	Low	110 Å²	110	73.5 Å²	73.5	67%	0.667	41%	0.412	S	S	*	.	S	Bend	trans	-85.9	-13.8	-175.5	179.6	0	0	0	0	112.9
339	L	60.6	Low	64.1	Low	31 Å²	31	79.2 Å²	79.2	16%	0.162	41%	0.408	C	S	.	.			trans	-116.8	19.2	-161.4	-60.7	166.5	0	0	0	114.5	M238 A335 T341 C518 F519	M238-L339 HydrophobicContact CB-CB 4.26Å; M238-L339 VanDerWaalsContact CB-O 3.23Å; M238-L339 WeakPolarHBondContact CB-O 3.5Å; M238-L339 HydrophobicContact CE-CD2 3.86Å; A335-L339 WeakPolarHBondContact O-CD1 2.79Å; L339-T341 PolarHBondContact O-N 3.44Å; L339-C518 VanDerWaalsContact CD1-SG 3.56Å; L339-F519 HydrophobicContact CD1-CD2 4.46Å; L339-F519 HydrophobicContact CD1-CE1 3.94Å; L339-F519 HydrophobicContact CD1-CE2 3.44Å; L339-F519 VanDerWaalsContact CD1-CE2 3.44Å; L339-F519 HydrophobicContact CD1-CZ 3.15Å; L339-F519 HydrophobicContact CD2-CE1 4.13Å; L339-F519 HydrophobicContact CD2-CZ 4.06Å; L339-F519 HydrophobicContact CG-CZ 4.19Å
340	K	69.9	Low	66.8	Low	89 Å²	89	73.4 Å²	73.4	39%	0.387	39%	0.385	S	S	.	.	S	Bend	trans	-83.5	20.9	175	-60.1	-172.9	-167.3	171	0	113.3	D301	D301-K340 IonicContact OD1-NZ 2.79Å; D301-K340 PolarHBondContact OD1-NZ 3.15Å
341	T	85	Confident	69.4	Low	38 Å²	38	72.8 Å²	72.8	23%	0.233	39%	0.385	C	S	.	.	S	Bend	trans	-131.3	-163.9	-177.9	63.1	0	0	0	0	110.8	M238 F239 L339	M238-T341 VanDerWaalsContact CB-O 3.25Å; M238-T341 WeakPolarHBondContact CB-O 3.44Å; M238-T341 PolarHBondContact N-O 3.35Å; F239-T341 WeakPolarHBondContact CD1-O 3.42Å; L339-T341 PolarHBondContact O-N 3.44Å
342	Y	91.2	Very high	71.7	Confident	20 Å²	20	72.6 Å²	72.6	8%	0.078	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	155.3	174.9	-55.6	-75.2	0	0	0	111.6	L235 R236 F239 F258 L264 W275 P292 L297	L235-Y342 HydrophobicContact CB-CD1 4.36Å; L235-Y342 HydrophobicContact CB-CG 4.38Å; L235-Y342 HydrophobicContact CD1-CD1 4.34Å; L235-Y342 HydrophobicContact CD1-CD2 4.15Å; L235-Y342 HydrophobicContact CD1-CG 3.81Å; R236-Y342 WeakPolarHBondContact O-CA 3.24Å; F239-Y342 HydrophobicContact CE1-CD1 4.26Å; F239-Y342 AromaticContact CE1-CE1 3.85Å; F239-Y342 HydrophobicContact CE1-CE1 3.85Å; F239-Y342 HydrophobicContact CE1-CE2 4.33Å; F239-Y342 AromaticContact CE1-CZ 3.9Å; F239-Y342 HydrophobicContact CZ-CE1 4.09Å; F239-Y342 HydrophobicContact CZ-CE2 4.43Å; F239-Y342 AromaticContact CZ-CZ 3.83Å; F258-Y342 HydrophobicContact CE1-CE1 4.4Å; F258-Y342 HydrophobicContact CE2-CE1 4.1Å; F258-Y342 AromaticContact CZ-CE1 3.72Å; F258-Y342 HydrophobicContact CZ-CE1 3.72Å; F258-Y342 AromaticContact CZ-CZ 3.93Å; F258-Y342 VanDerWaalsContact CZ-OH 3.26Å; F258-Y342 WeakPolarHBondContact CZ-OH 3.33Å; L264-Y342 HydrophobicContact CD1-CD1 3.98Å; L264-Y342 HydrophobicContact CD1-CE1 3.46Å; L264-Y342 VanDerWaalsContact CD1-CE1 3.46Å; W275-Y342 HydrophobicContact CZ3-CD2 4.02Å; W275-Y342 HydrophobicContact CZ3-CE2 4.21Å; P292-Y342 VanDerWaalsContact O-CE2 3.24Å; P292-Y342 WeakPolarHBondContact O-CE2 3.47Å; P292-Y342 PolarHBondContact O-OH 3.06Å; P292-Y342 VanDerWaalsContact O-OH 3.11Å; L297-Y342 HydrophobicContact CD1-CD2 4.33Å; L297-Y342 HydrophobicContact CD1-CE2 3.7Å
343	E	91.4	Very high	74	Confident	41 Å²	41	67.5 Å²	67.5	19%	0.192	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	127.2	167.2	-176.8	-176.8	-127.1	0	0	109.1	L235 R236 M238 V345 R462 P551	L235-E343 CarbonylContact C-O 3.55Å; L235-E343 WeakPolarHBondContact CA-O 3.41Å; R236-E343 PolarHBondContact N-O 2.97Å; R236-E343 PolarHBondContact O-N 3.37Å; M238-E343 HydrophobicContact CG-CB 4.05Å; M238-E343 HydrophobicContact SD-CB 4.02Å; E343-V345 PolarHBondContact O-N 3.44Å; E343-R462 IonicContact OE1-CZ 3.47Å; E343-R462 IonicContact OE1-NE 3.95Å; E343-R462 PolarHBondContact OE1-NE 2.93Å; E343-R462 IonicContact OE1-NH2 2.75Å; E343-R462 PolarHBondContact OE1-NH2 3.19Å; E343-R462 IonicContact OE2-CZ 3.79Å; E343-R462 IonicContact OE2-NH2 2.65Å; E343-R462 PolarHBondContact OE2-NH2 2.9Å; E343-P551 HydrophobicContact CG-CB 4.3Å; E343-P551 VanDerWaalsContact OE1-CG 3.27Å; E343-P551 WeakPolarHBondContact OE1-CG 3.47Å
344	E	92.3	Very high	76.3	Confident	109 Å²	109	64.9 Å²	64.9	51%	0.509	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	132.4	175	-161.4	-168.7	147.3	0	0	110.4	V233 L235 P551 S552	V233-E344 HydrophobicContact CG1-CG 4.25Å; L235-E344 HydrophobicContact CD2-CB 4.1Å; L235-E344 HydrophobicContact CD2-CG 4.18Å; E344-P551 CarbonylContact O-C 3.55Å; E344-P551 WeakPolarHBondContact O-CA 3.33Å; E344-S552 WeakPolarHBondContact CG-OG 3.49Å; E344-S552 PolarHBondContact O-N 3.4Å; E344-S552 PolarHBondContact O-OG 2.89Å; E344-S552 PolarHBondContact OE1-OG 3.37Å
345	V	93.2	Very high	79	Confident	3 Å²	3	63 Å²	63	2%	0.018	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	155.7	-176	-66	0	0	0	0	112.8	F234 R236 I263 E343 W549 V550 S552	F234-V345 HydrophobicContact CB-CG2 3.97Å; F234-V345 PolarHBondContact O-N 3.03Å; R236-V345 HydrophobicContact CB-CG1 3.71Å; R236-V345 HydrophobicContact CB-CG2 4.39Å; I263-V345 HydrophobicContact CD1-CG2 4.17Å; I263-V345 HydrophobicContact CG2-CG2 4.27Å; E343-V345 PolarHBondContact O-N 3.44Å; V345-W549 HydrophobicContact CB-CE3 4.06Å; V345-W549 HydrophobicContact CG2-CD2 4.3Å; V345-W549 HydrophobicContact CG2-CE3 3.61Å; V345-W549 HydrophobicContact CG2-CZ3 4.14Å; V345-V550 CarbonylContact C-O 3.54Å; V345-V550 WeakPolarHBondContact CA-O 3.28Å; V345-V550 VanDerWaalsContact CB-O 3.31Å; V345-V550 WeakPolarHBondContact CB-O 3.48Å; V345-S552 VanDerWaalsContact C-OG 3.23Å; V345-S552 WeakPolarHBondContact CA-OG 3.48Å; V345-S552 PolarHBondContact N-OG 3.14Å; V345-S552 PolarHBondContact O-OG 2.97Å
346	V	91.7	Very high	81.6	Confident	51 Å²	51	62.9 Å²	62.9	31%	0.309	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	151	176.9	64.7	0	0	0	0	109.9	Y348 V550 L555	V346-Y348 PolarHBondContact O-N 3.35Å; V346-V550 HydrophobicContact CG1-CG2 3.99Å; V346-V550 PolarHBondContact N-O 2.79Å; V346-V550 PolarHBondContact O-N 2.95Å; V346-L555 HydrophobicContact CG1-CD1 3.51Å; V346-L555 HydrophobicContact CG1-CG 4.16Å
347	L	90.4	Very high	84	Confident	82 Å²	82	59.7 Å²	59.7	43%	0.429	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	110.2	172.6	-80.1	168.1	0	0	0	110.1	W549	L347-W549 HydrophobicContact CD1-CH2 4.02Å; L347-W549 HydrophobicContact CD1-CZ2 3.99Å; L347-W549 HydrophobicContact CD2-CD2 3.82Å; L347-W549 HydrophobicContact CD2-CE3 4.27Å; L347-W549 HydrophobicContact CD2-CG 4.19Å; L347-W549 HydrophobicContact CD2-CH2 4.47Å; L347-W549 HydrophobicContact CD2-CZ2 4.05Å; L347-W549 HydrophobicContact CG-CD2 4Å; L347-W549 HydrophobicContact CG-CE3 3.95Å; L347-W549 HydrophobicContact CG-CH2 3.76Å; L347-W549 HydrophobicContact CG-CZ2 3.8Å; L347-W549 HydrophobicContact CG-CZ3 3.85Å
348	Y	91.4	Very high	86.3	Confident	20 Å²	20	56.9 Å²	56.9	8%	0.078	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	125.6	171.5	174.2	-106.3	0	0	0	110.4	V346 R356 K467 S547 H548 V550 L555	V346-Y348 PolarHBondContact O-N 3.35Å; Y348-R356 HydrophobicContact CE1-CG 4.46Å; Y348-K467 HydrophobicContact CD2-CD 4.28Å; Y348-K467 HydrophobicContact CE1-CD 4.44Å; Y348-K467 HydrophobicContact CE2-CD 3.9Å; Y348-S547 VanDerWaalsContact O-CA 3.27Å; Y348-S547 WeakPolarHBondContact O-CA 3.28Å; Y348-H548 PolarHBondContact N-O 2.89Å; Y348-H548 PolarHBondContact O-N 2.92Å; Y348-H548 VanDerWaalsContact O-N 3.08Å; Y348-V550 HydrophobicContact CG-CG1 4.37Å; Y348-V550 HydrophobicContact CG-CG2 4.46Å; Y348-L555 HydrophobicContact CD2-CD1 4.43Å; Y348-L555 HydrophobicContact CD2-CD2 3.9Å; Y348-L555 HydrophobicContact CE2-CD2 4.3Å
349	R	90.3	Very high	88.5	Confident	198 Å²	198	51.7 Å²	51.7	75%	0.747	28%	0.279	S	S	*	.	P	Polyproline II helix	trans	-88.8	130.7	172.2	-66.6	-173.2	-174.8	124.2	2.9	109.7	V351 S547	R349-V351 PolarHBondContact O-N 2.96Å; R349-S547 WeakPolarHBondContact CG-OG 3.4Å
350	P	87.7	Confident	90.3	Very high	39 Å²	39	50.2 Å²	50.2	25%	0.253	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-55.9	138.5	175.1	-24.8	34.2	0	0	0	111.6	L543 E544 E546	P350-L543 WeakPolarHBondContact CG-O 3.22Å; P350-E544 WeakPolarHBondContact CB-O 3.47Å; P350-E546 WeakPolarHBondContact CD-O 3.22Å; P350-E546 WeakPolarHBondContact CG-O 3.38Å
351	V	87.7	Confident	91.6	Very high	87 Å²	87	46 Å²	46	53%	0.527	25%	0.253	S	S	.	.			trans	-104.1	128.2	176.6	179.2	0	0	0	0	108.1	R349 G353 F354	R349-V351 PolarHBondContact O-N 2.96Å; V351-G353 PolarHBondContact O-N 3.43Å; V351-F354 HydrophobicContact CB-CB 4.22Å; V351-F354 PolarHBondContact O-N 3.5Å
352	A	84.5	Confident	92.1	Very high	105 Å²	105	44.2 Å²	44.2	87%	0.868	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.9	130.3	-179.6	0	0	0	0	0	111.4	F354	A352-F354 VanDerWaalsContact C-N 3.26Å; A352-F354 PolarHBondContact O-N 3.41Å
353	G	82.6	Confident	92.3	Very high	53 Å²	53	43.3 Å²	43.3	55%	0.546	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.1	-8	-178.3	0	0	0	0	0	115.1	V351	V351-G353 PolarHBondContact O-N 3.43Å
354	F	87.6	Confident	92.3	Very high	68 Å²	68	45.8 Å²	45.8	30%	0.298	26%	0.257	S	S	.	.			trans	-108.2	112.3	175.2	-172	-91.2	0	0	0	110.5	V351 A352 M443	V351-F354 HydrophobicContact CB-CB 4.22Å; V351-F354 PolarHBondContact O-N 3.5Å; A352-F354 VanDerWaalsContact C-N 3.26Å; A352-F354 PolarHBondContact O-N 3.41Å; F354-M443 HydrophobicContact CE1-CE 3.85Å; F354-M443 HydrophobicContact CE2-CE 3.69Å; F354-M443 HydrophobicContact CZ-CE 3.2Å
355	H	93	Very high	92.2	Very high	36 Å²	36	43.1 Å²	43.1	17%	0.167	26%	0.259	C	S	.	.			trans	-107.2	130.3	-177.4	-64.9	-79.3	0	0	0	111.4	G446 V448 E544	H355-G446 PolarHBondContact CD2-O 3.44Å; H355-V448 HydrophobicContact CB-CB 4.38Å; H355-V448 HydrophobicContact CB-CG2 3.67Å; H355-E544 IonicContact CE1-OE1 2.9Å; H355-E544 PolarHBondContact CE1-OE1 3.21Å; H355-E544 IonicContact ND1-OE1 3.7Å; H355-E544 PolarHBondContact ND1-OE1 2.94Å
356	R	94.9	Very high	92.2	Very high	13 Å²	13	43 Å²	43	5%	0.049	26%	0.258	C	S	.	.	P	Polyproline II helix	trans	-72.3	138.2	176.2	-64.9	172.2	63.1	-167	0.7	110.3	Y348 K467 P468	Y348-R356 HydrophobicContact CE1-CG 4.46Å; R356-K467 WeakPolarHBondContact CB-O 3.47Å; R356-K467 HydrophobicContact CG-CB 4.29Å; R356-K467 WeakPolarHBondContact CG-O 3.27Å; R356-K467 PolarHBondContact NE-O 3.35Å; R356-K467 PolarHBondContact NH2-O 3.44Å; R356-P468 PolarHBondContact NH2-O 2.88Å
357	P	96.9	Very high	92.3	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-62.7	137	172.9	-23.2	34.8	0	0	0	112.1	V439 M443 C449 L466 Y469	P357-V439 HydrophobicContact CB-CG1 4.28Å; P357-V439 HydrophobicContact CG-CG1 3.81Å; P357-M443 HydrophobicContact CG-CE 4.27Å; P357-M443 HydrophobicContact CG-CG 4.18Å; P357-M443 HydrophobicContact CG-SD 3.48Å; P357-M443 WeakPolarHBondContact CG-SD 3.24Å; P357-C449 CarbonylContact C-O 3.57Å; P357-C449 VanDerWaalsContact CA-O 3.27Å; P357-C449 WeakPolarHBondContact CA-O 3.41Å; P357-C449 HydrophobicContact CB-CB 4.17Å; P357-C449 HydrophobicContact CG-CB 4.45Å; P357-L466 WeakPolarHBondContact CD-O 3.14Å; P357-Y469 PolarHBondContact O-N 2.73Å
358	I	97.6	Very high	92.5	Very high	2 Å²	2	39 Å²	39	1%	0.01	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	118.6	172	-56.3	-62.1	0	0	0	108.6	L360 V448 C449 V450 L451 Y469 V471 T540 L543	I358-L360 HydrophobicContact CG2-CD2 3.96Å; I358-V448 HydrophobicContact CG1-CG1 3.62Å; I358-C449 PolarHBondContact N-O 3Å; I358-V450 WeakPolarHBondContact O-CA 3.37Å; I358-L451 PolarHBondContact O-N 2.98Å; I358-Y469 HydrophobicContact CD1-CD1 4.34Å; I358-V471 HydrophobicContact CG2-CG2 4.16Å; I358-T540 HydrophobicContact CD1-CG2 4.06Å; I358-T540 HydrophobicContact CG1-CG2 3.97Å; I358-L543 HydrophobicContact CD1-CD1 3.36Å
359	V	97.9	Very high	92.6	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	111.2	-176	-171.8	0	0	0	0	109.9	I361 L451 P453 L461 P468 Y469 F470 V471	V359-I361 HydrophobicContact CG1-CD1 3.85Å; V359-I361 HydrophobicContact CG1-CG1 4.18Å; V359-L451 HydrophobicContact CG2-CB 4.5Å; V359-L451 HydrophobicContact CG2-CD1 4.37Å; V359-P453 HydrophobicContact CG1-CG 3.64Å; V359-L461 HydrophobicContact CG1-CD1 3.96Å; V359-L461 HydrophobicContact CG2-CD1 4.17Å; V359-P468 HydrophobicContact CG2-CB 3.86Å; V359-Y469 PolarHBondContact N-O 2.81Å; V359-F470 HydrophobicContact CB-CD1 3.64Å; V359-F470 HydrophobicContact CB-CE1 3.95Å; V359-F470 HydrophobicContact CB-CG 4.5Å; V359-F470 HydrophobicContact CG1-CD1 3.76Å; V359-F470 HydrophobicContact CG1-CE1 3.84Å; V359-F470 HydrophobicContact CG2-CD1 4.23Å; V359-F470 HydrophobicContact CG2-CE1 4.11Å; V359-V471 PolarHBondContact O-N 3.41Å
360	L	98.2	Very high	92.8	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	108.6	179.9	-54.1	-175.8	0	0	0	111	I358 R368 L371 K372 V450 L451 V471 V473 L536	I358-L360 HydrophobicContact CG2-CD2 3.96Å; L360-R368 HydrophobicContact CB-CG 4.47Å; L360-R368 WeakPolarHBondContact O-CD 3.2Å; L360-L371 HydrophobicContact CD1-CB 4.16Å; L360-K372 HydrophobicContact CD1-CB 4.38Å; L360-V450 HydrophobicContact CD1-CG1 4.39Å; L360-L451 PolarHBondContact N-O 3.24Å; L360-V471 WeakPolarHBondContact CA-O 3.44Å; L360-V471 HydrophobicContact CD2-CB 3.92Å; L360-V471 HydrophobicContact CD2-CG1 4.34Å; L360-V471 HydrophobicContact CD2-CG2 4.5Å; L360-V473 HydrophobicContact CB-CG2 4.29Å; L360-V473 HydrophobicContact CD2-CG2 4.45Å; L360-L536 HydrophobicContact CD2-CD1 4.5Å; L360-L536 HydrophobicContact CD2-CD2 3.94Å
361	I	97.4	Very high	93.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	144.9	177.2	-57.2	-58.9	0	0	0	109.5	V359 P453 P455 I458 F470 V471 Y472 V473 F520	V359-I361 HydrophobicContact CG1-CD1 3.85Å; V359-I361 HydrophobicContact CG1-CG1 4.18Å; I361-P453 HydrophobicContact CD1-CG 3.92Å; I361-P455 HydrophobicContact CG2-CB 4.17Å; I361-P455 HydrophobicContact CG2-CG 4.05Å; I361-I458 HydrophobicContact CD1-CD1 4.44Å; I361-I458 HydrophobicContact CD1-CG1 4.21Å; I361-I458 HydrophobicContact CG1-CD1 4.13Å; I361-I458 HydrophobicContact CG1-CG1 4.24Å; I361-I458 HydrophobicContact CG2-CD1 4.41Å; I361-F470 HydrophobicContact CG1-CD1 4.32Å; I361-V471 PolarHBondContact N-O 3.1Å; I361-Y472 CarbonylContact O-C 3.53Å; I361-Y472 WeakPolarHBondContact O-CA 3.32Å; I361-Y472 WeakPolarHBondContact O-CD2 3.49Å; I361-V473 PolarHBondContact O-N 3.31Å; I361-F520 HydrophobicContact CB-CE1 4.01Å; I361-F520 HydrophobicContact CG1-CE1 4.42Å; I361-F520 HydrophobicContact CG2-CE1 3.79Å; I361-F520 HydrophobicContact CG2-CZ 3.99Å
362	G	96.5	Very high	93.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.01	21%	0.206	C	C	.	.			trans	165.2	169.7	-179.6	0	0	0	0	0	112.8	R368	G362-R368 PolarHBondContact O-NE 3.49Å; G362-R368 VanDerWaalsContact O-NE 3.09Å; G362-R368 PolarHBondContact O-NH2 3.33Å; G362-R368 VanDerWaalsContact O-NH2 3.15Å
363	P	95.6	Very high	94.1	Very high	2 Å²	2	33 Å²	33	1%	0.013	19%	0.19	C	C	.	.			trans	-63.1	161.9	-178.6	22.4	-28.3	0	0	0	112.1	V366 P475 M505 Q508 L512	P363-V366 HydrophobicContact CG-CB 4.03Å; P363-V366 HydrophobicContact CG-CG1 4.44Å; P363-V366 HydrophobicContact CG-CG2 4.26Å; P363-V366 VanDerWaalsContact O-CG1 3.22Å; P363-V366 WeakPolarHBondContact O-CG1 3.35Å; P363-P475 HydrophobicContact CG-CG 4.1Å; P363-M505 HydrophobicContact CB-CG 4.04Å; P363-M505 WeakPolarHBondContact CB-O 3.01Å; P363-M505 HydrophobicContact CG-CG 3.95Å; P363-M505 WeakPolarHBondContact CG-O 3.41Å; P363-Q508 HydrophobicContact CB-CB 3.9Å; P363-L512 HydrophobicContact CB-CD1 4.45Å
364	T	91.8	Very high	94.8	Very high	93 Å²	93	33.7 Å²	33.7	57%	0.571	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	140.8	175.9	48.4	0	0	0	0	110.4	V366 Q508	T364-V366 VanDerWaalsContact C-N 3.27Å; T364-V366 PolarHBondContact O-N 2.99Å; T364-Q508 PolarHBondContact OG1-OE1 3.41Å; T364-Q508 VanDerWaalsContact OG1-OE1 3.14Å
365	G	89.5	Confident	95.2	Very high	52 Å²	52	30.4 Å²	30.4	54%	0.536	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	80.3	-9.4	179.8	0	0	0	0	0	116	G367	G365-G367 PolarHBondContact O-N 2.93Å
366	V	93.5	Very high	95.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	16%	0.163	C	C	.	.	S	Bend	trans	-65.4	-8.9	-178.3	78.4	0	0	0	0	114.4	P363 T364 R368 V473 P475 R485 M505 N526	P363-V366 HydrophobicContact CG-CB 4.03Å; P363-V366 HydrophobicContact CG-CG1 4.44Å; P363-V366 HydrophobicContact CG-CG2 4.26Å; P363-V366 VanDerWaalsContact O-CG1 3.22Å; P363-V366 WeakPolarHBondContact O-CG1 3.35Å; T364-V366 VanDerWaalsContact C-N 3.27Å; T364-V366 PolarHBondContact O-N 2.99Å; V366-R368 HydrophobicContact CG1-CG 3.65Å; V366-V473 HydrophobicContact CG1-CB 4.16Å; V366-V473 HydrophobicContact CG1-CG1 3.92Å; V366-V473 HydrophobicContact CG2-CG1 4.1Å; V366-P475 HydrophobicContact CG2-CB 4.07Å; V366-R485 PolarHBondContact O-NH2 2.86Å; V366-M505 HydrophobicContact CB-SD 4.1Å; V366-M505 HydrophobicContact CG2-SD 4.29Å; V366-N526 PolarHBondContact O-ND2 3.35Å
367	G	93.1	Very high	95.4	Very high	14 Å²	14	33 Å²	33	14%	0.144	19%	0.187	C	C	.	.	S	Bend	trans	102.5	12	176.5	0	0	0	0	0	115.8	G365 T369 E370 L371	G365-G367 PolarHBondContact O-N 2.93Å; G367-T369 VanDerWaalsContact C-N 3.32Å; G367-T369 PolarHBondContact O-N 3.18Å; G367-E370 PolarHBondContact O-N 2.97Å; G367-E370 VanDerWaalsContact O-N 3.09Å; G367-L371 WeakPolarHBondContact O-CG 3.09Å; G367-L371 PolarHBondContact O-N 3.2Å
368	R	95.5	Very high	95.4	Very high	35 Å²	35	36.6 Å²	36.6	13%	0.132	21%	0.209	C	C	.	.	H	α-helix	trans	-51.5	-45.7	178.1	-64.8	-178.1	-71.5	148.4	-3.2	113.6	L360 G362 V366 E370 L371 K372 N452 P453 V473	L360-R368 HydrophobicContact CB-CG 4.47Å; L360-R368 WeakPolarHBondContact O-CD 3.2Å; G362-R368 PolarHBondContact O-NE 3.49Å; G362-R368 VanDerWaalsContact O-NE 3.09Å; G362-R368 PolarHBondContact O-NH2 3.33Å; G362-R368 VanDerWaalsContact O-NH2 3.15Å; V366-R368 HydrophobicContact CG1-CG 3.65Å; R368-E370 VanDerWaalsContact C-N 3.31Å; R368-E370 PolarHBondContact O-N 3.11Å; R368-L371 PolarHBondContact O-N 3.02Å; R368-K372 WeakPolarHBondContact O-CB 3.34Å; R368-K372 PolarHBondContact O-N 2.97Å; R368-N452 HydrophobicContact CB-CB 4.34Å; R368-P453 PolarHBondContact NH1-O 2.82Å; R368-V473 HydrophobicContact CG-CB 4.21Å; R368-V473 HydrophobicContact CG-CG2 4.13Å
369	T	93.8	Very high	95.2	Very high	96 Å²	96	40.3 Å²	40.3	59%	0.589	23%	0.226	S	C	*	.	H	α-helix	trans	-62.5	-40	179.3	-52.1	0	0	0	0	111.9	G367 R373	G367-T369 VanDerWaalsContact C-N 3.32Å; G367-T369 PolarHBondContact O-N 3.18Å; T369-R373 WeakPolarHBondContact O-CB 3.25Å; T369-R373 PolarHBondContact O-N 3.34Å
370	E	93.4	Very high	95.1	Very high	48 Å²	48	44 Å²	44	22%	0.224	25%	0.25	C	C	.	.	H	α-helix	trans	-74.1	-39.4	-179.6	-178.6	58.9	-171	0	0	111.6	G367 R368 R373 R374 L529	G367-E370 PolarHBondContact O-N 2.97Å; G367-E370 VanDerWaalsContact O-N 3.09Å; R368-E370 VanDerWaalsContact C-N 3.31Å; R368-E370 PolarHBondContact O-N 3.11Å; E370-R373 VanDerWaalsContact CD-NH2 3.33Å; E370-R373 PolarHBondContact O-N 3.16Å; E370-R373 IonicContact OE1-CZ 3.82Å; E370-R373 IonicContact OE1-NE 2.63Å; E370-R373 IonicContact OE1-NH2 2.7Å; E370-R373 PolarHBondContact OE1-NH2 3.03Å; E370-R373 IonicContact OE2-CZ 2.66Å; E370-R373 IonicContact OE2-NE 3.94Å; E370-R373 PolarHBondContact OE2-NE 3.45Å; E370-R373 IonicContact OE2-NH2 3.77Å; E370-R373 PolarHBondContact OE2-NH2 3.03Å; E370-R374 WeakPolarHBondContact O-CB 3.32Å; E370-R374 WeakPolarHBondContact O-CG 3.47Å; E370-R374 PolarHBondContact O-N 3.18Å; E370-R374 IonicContact OE1-CZ 2.74Å; E370-R374 IonicContact OE1-NE 2.86Å; E370-R374 PolarHBondContact OE1-NE 3.38Å; E370-R374 IonicContact OE1-NH2 2.74Å; E370-R374 PolarHBondContact OE1-NH2 3.05Å; E370-L529 HydrophobicContact CB-CD2 4.41Å; E370-L529 HydrophobicContact CG-CD1 3.63Å; E370-L529 HydrophobicContact CG-CD2 4.08Å; E370-L529 HydrophobicContact CG-CG 4.49Å
371	L	96.2	Very high	94.9	Very high	0 Å²	0	50 Å²	50	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-58.4	-49	171.4	-69	174	0	0	0	111	L360 G367 R368 R373 R374 L375 V473 L524 L529 A532 V533 L536	L360-L371 HydrophobicContact CD1-CB 4.16Å; G367-L371 WeakPolarHBondContact O-CG 3.09Å; G367-L371 PolarHBondContact O-N 3.2Å; R368-L371 PolarHBondContact O-N 3.02Å; L371-R373 PolarHBondContact O-N 3.32Å; L371-R374 PolarHBondContact O-N 3.4Å; L371-L375 VanDerWaalsContact O-CB 3.28Å; L371-L375 WeakPolarHBondContact O-CB 3.23Å; L371-L375 PolarHBondContact O-N 2.91Å; L371-V473 HydrophobicContact CD1-CG1 3.77Å; L371-V473 HydrophobicContact CD1-CG2 4.09Å; L371-L524 HydrophobicContact CD1-CD2 4.16Å; L371-L529 HydrophobicContact CD2-CD2 3.98Å; L371-L529 HydrophobicContact CG-CD2 4.28Å; L371-A532 HydrophobicContact CD2-CB 3.68Å; L371-V533 HydrophobicContact CD2-CG2 3.82Å; L371-L536 HydrophobicContact CB-CD1 4.05Å; L371-L536 HydrophobicContact CD1-CD1 4.42Å; L371-L536 HydrophobicContact CD2-CD1 4.34Å; L371-L536 HydrophobicContact CG-CD1 4.5Å
372	K	96.4	Very high	94.8	Very high	38 Å²	38	51.8 Å²	51.8	17%	0.165	29%	0.294	C	S	.	.	H	α-helix	trans	-55.6	-50.2	175.2	179.4	172.9	94.4	173.7	0	111.5	L360 R368 R374 L375 I376 A385 V450 N452	L360-K372 HydrophobicContact CD1-CB 4.38Å; R368-K372 WeakPolarHBondContact O-CB 3.34Å; R368-K372 PolarHBondContact O-N 2.97Å; K372-R374 PolarHBondContact O-N 3.16Å; K372-L375 PolarHBondContact O-N 2.81Å; K372-I376 HydrophobicContact CG-CD1 3.84Å; K372-I376 WeakPolarHBondContact O-CG1 3.23Å; K372-I376 PolarHBondContact O-N 3.22Å; K372-I376 VanDerWaalsContact O-N 3.08Å; K372-A385 HydrophobicContact CD-CB 4.5Å; K372-V450 HydrophobicContact CB-CG1 4.19Å; K372-V450 HydrophobicContact CD-CG1 4.28Å; K372-V450 WeakPolarHBondContact CD-O 3.3Å; K372-V450 HydrophobicContact CG-CB 4.21Å; K372-V450 HydrophobicContact CG-CG1 3.77Å; K372-N452 PolarHBondContact NZ-OD1 3.3Å
373	R	95.6	Very high	94.8	Very high	143 Å²	143	51.7 Å²	51.7	54%	0.54	29%	0.294	S	S	.	.	H	α-helix	trans	-60.3	-46.8	-178.8	-171.7	-173.4	72	85.5	-1.1	111.8	T369 E370 L371 A377	T369-R373 WeakPolarHBondContact O-CB 3.25Å; T369-R373 PolarHBondContact O-N 3.34Å; E370-R373 VanDerWaalsContact CD-NH2 3.33Å; E370-R373 PolarHBondContact O-N 3.16Å; E370-R373 IonicContact OE1-CZ 3.82Å; E370-R373 IonicContact OE1-NE 2.63Å; E370-R373 IonicContact OE1-NH2 2.7Å; E370-R373 PolarHBondContact OE1-NH2 3.03Å; E370-R373 IonicContact OE2-CZ 2.66Å; E370-R373 IonicContact OE2-NE 3.94Å; E370-R373 PolarHBondContact OE2-NE 3.45Å; E370-R373 IonicContact OE2-NH2 3.77Å; E370-R373 PolarHBondContact OE2-NH2 3.03Å; L371-R373 PolarHBondContact O-N 3.32Å; R373-A377 WeakPolarHBondContact O-CB 3.43Å; R373-A377 PolarHBondContact O-N 3.22Å
374	R	96	Very high	94.8	Very high	66 Å²	66	51.7 Å²	51.7	25%	0.249	29%	0.294	C	S	.	.	H	α-helix	trans	-67.3	-43.7	179.9	-71.9	-170.6	-173.4	-161.5	4.4	112.1	E370 L371 K372 I376 A377 T378 E530 V533	E370-R374 WeakPolarHBondContact O-CB 3.32Å; E370-R374 WeakPolarHBondContact O-CG 3.47Å; E370-R374 PolarHBondContact O-N 3.18Å; E370-R374 IonicContact OE1-CZ 2.74Å; E370-R374 IonicContact OE1-NE 2.86Å; E370-R374 PolarHBondContact OE1-NE 3.38Å; E370-R374 IonicContact OE1-NH2 2.74Å; E370-R374 PolarHBondContact OE1-NH2 3.05Å; L371-R374 PolarHBondContact O-N 3.4Å; K372-R374 PolarHBondContact O-N 3.16Å; R374-I376 VanDerWaalsContact C-N 3.33Å; R374-I376 PolarHBondContact O-N 3.02Å; R374-A377 PolarHBondContact O-N 3.08Å; R374-A377 VanDerWaalsContact O-N 3.14Å; R374-T378 PolarHBondContact O-N 3.49Å; R374-T378 PolarHBondContact O-OG1 2.89Å; R374-E530 IonicContact CZ-OE1 2.65Å; R374-E530 IonicContact NH1-OE1 3.18Å; R374-E530 PolarHBondContact NH1-OE1 2.98Å; R374-E530 IonicContact NH2-OE1 3.41Å; R374-V533 HydrophobicContact CB-CG2 3.72Å
375	L	96.3	Very high	95	Very high	0 Å²	0	49 Å²	49	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-57.6	-46.9	177.5	-176.8	62.6	0	0	0	111.4	L371 K372 T378 Q379 F383 V450 L536 L537	L371-L375 VanDerWaalsContact O-CB 3.28Å; L371-L375 WeakPolarHBondContact O-CB 3.23Å; L371-L375 PolarHBondContact O-N 2.91Å; K372-L375 PolarHBondContact O-N 2.81Å; L375-T378 PolarHBondContact O-N 3.12Å; L375-Q379 PolarHBondContact O-N 3.37Å; L375-F383 HydrophobicContact CD1-CD2 4.24Å; L375-F383 HydrophobicContact CD1-CE1 4.23Å; L375-F383 HydrophobicContact CD1-CE2 3.81Å; L375-F383 HydrophobicContact CD1-CZ 3.81Å; L375-F383 HydrophobicContact CD2-CD1 4.21Å; L375-F383 HydrophobicContact CD2-CE1 4.21Å; L375-F383 HydrophobicContact CG-CD1 4.13Å; L375-F383 HydrophobicContact CG-CD2 4.11Å; L375-F383 HydrophobicContact CG-CE1 4.19Å; L375-F383 HydrophobicContact CG-CE2 4.16Å; L375-F383 HydrophobicContact CG-CG 4.12Å; L375-F383 HydrophobicContact CG-CZ 4.21Å; L375-F383 WeakPolarHBondContact O-CD2 3.3Å; L375-V450 HydrophobicContact CD2-CG1 4.24Å; L375-V450 HydrophobicContact CD2-CG2 3.94Å; L375-L536 HydrophobicContact CD1-CB 4.4Å; L375-L537 HydrophobicContact CD1-CD2 3.58Å; L375-L537 HydrophobicContact CD1-CG 3.93Å
376	I	96.7	Very high	95.3	Very high	37 Å²	37	47.3 Å²	47.3	19%	0.19	26%	0.261	C	S	.	.	H	α-helix	trans	-63.6	-42.2	176	-65.5	167.4	0	0	0	111.4	K372 R374 T378 Q379 P380 F383 A385	K372-I376 HydrophobicContact CG-CD1 3.84Å; K372-I376 WeakPolarHBondContact O-CG1 3.23Å; K372-I376 PolarHBondContact O-N 3.22Å; K372-I376 VanDerWaalsContact O-N 3.08Å; R374-I376 VanDerWaalsContact C-N 3.33Å; R374-I376 PolarHBondContact O-N 3.02Å; I376-T378 VanDerWaalsContact C-N 3.27Å; I376-T378 PolarHBondContact O-N 3.17Å; I376-Q379 CarbonylContact O-C 3.54Å; I376-Q379 VanDerWaalsContact O-C 3.29Å; I376-Q379 PolarHBondContact O-N 3.22Å; I376-P380 VanDerWaalsContact O-CA 3.25Å; I376-P380 WeakPolarHBondContact O-CA 3.45Å; I376-P380 WeakPolarHBondContact O-CD 3.48Å; I376-P380 WeakPolarHBondContact O-CG 3.38Å; I376-P380 VanDerWaalsContact O-N 3.08Å; I376-F383 HydrophobicContact CB-CB 4.42Å; I376-F383 HydrophobicContact CG1-CB 3.9Å; I376-A385 HydrophobicContact CD1-CB 3.64Å
377	A	96.5	Very high	95.3	Very high	67 Å²	67	49.6 Å²	49.6	55%	0.554	27%	0.272	S	S	*	.	H	α-helix	trans	-64.8	-29.3	178.5	0	0	0	0	0	113.2	R373 R374	R373-A377 WeakPolarHBondContact O-CB 3.43Å; R373-A377 PolarHBondContact O-N 3.22Å; R374-A377 PolarHBondContact O-N 3.08Å; R374-A377 VanDerWaalsContact O-N 3.14Å
378	T	95.8	Very high	95.4	Very high	75 Å²	75	50.9 Å²	50.9	46%	0.46	28%	0.278	S	S	.	.	H	α-helix	trans	-67.6	-42.1	177.7	-54.2	0	0	0	0	112.1	R374 L375 I376 L537	R374-T378 PolarHBondContact O-N 3.49Å; R374-T378 PolarHBondContact O-OG1 2.89Å; L375-T378 PolarHBondContact O-N 3.12Å; I376-T378 VanDerWaalsContact C-N 3.27Å; I376-T378 PolarHBondContact O-N 3.17Å; T378-L537 HydrophobicContact CG2-CD1 4.04Å; T378-L537 HydrophobicContact CG2-CD2 4.47Å
379	Q	94.4	Very high	95.5	Very high	80 Å²	80	51 Å²	51	37%	0.374	28%	0.279	S	S	.	.			trans	-140.6	80.3	177.5	-65.4	177.6	-12.8	0	0	111.1	L375 I376 T381 K382 F383	L375-Q379 PolarHBondContact O-N 3.37Å; I376-Q379 CarbonylContact O-C 3.54Å; I376-Q379 VanDerWaalsContact O-C 3.29Å; I376-Q379 PolarHBondContact O-N 3.22Å; Q379-T381 PolarHBondContact O-N 3.31Å; Q379-K382 HydrophobicContact CB-CB 3.98Å; Q379-K382 PolarHBondContact O-N 3.12Å; Q379-K382 VanDerWaalsContact O-N 3.07Å; Q379-F383 HydrophobicContact CB-CD2 3.84Å; Q379-F383 HydrophobicContact CB-CE2 3.95Å; Q379-F383 PolarHBondContact O-N 3.16Å
380	P	95.1	Very high	95.6	Very high	76 Å²	76	46.5 Å²	46.5	49%	0.494	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.5	-174.3	-23.8	33.8	0	0	0	113.9	I376 R447	I376-P380 VanDerWaalsContact O-CA 3.25Å; I376-P380 WeakPolarHBondContact O-CA 3.45Å; I376-P380 WeakPolarHBondContact O-CD 3.48Å; I376-P380 WeakPolarHBondContact O-CG 3.38Å; I376-P380 VanDerWaalsContact O-N 3.08Å; P380-R447 PolarHBondContact O-NH2 2.75Å
381	T	94.2	Very high	95.8	Very high	126 Å²	126	45.1 Å²	45.1	77%	0.773	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72	-32.1	177	51.8	0	0	0	0	112.2	Q379 R447	Q379-T381 PolarHBondContact O-N 3.31Å; T381-R447 PolarHBondContact O-NE 3.47Å
382	K	94.7	Very high	95.8	Very high	38 Å²	38	46.8 Å²	46.8	17%	0.165	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-47.2	-177.4	-174.7	179.6	-175	170.9	0	112.5	Q379 R447 V448 E544	Q379-K382 HydrophobicContact CB-CB 3.98Å; Q379-K382 PolarHBondContact O-N 3.12Å; Q379-K382 VanDerWaalsContact O-N 3.07Å; K382-R447 CarbonylContact O-C 3.5Å; K382-R447 WeakPolarHBondContact O-CA 3.3Å; K382-R447 WeakPolarHBondContact O-CB 3.24Å; K382-V448 HydrophobicContact CG-CG2 4.22Å; K382-V448 PolarHBondContact O-N 3.06Å; K382-E544 WeakPolarHBondContact CE-OE1 3.39Å; K382-E544 IonicContact NZ-OE1 3.43Å; K382-E544 PolarHBondContact NZ-OE1 3.1Å; K382-E544 IonicContact NZ-OE2 3.68Å; K382-E544 PolarHBondContact NZ-OE2 3.43Å
383	F	97.1	Very high	95.8	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	137.1	-174.2	-60.4	-72.2	0	0	0	111.3	L375 I376 Q379 R447 V448 V450 L537 T540	L375-F383 HydrophobicContact CD1-CD2 4.24Å; L375-F383 HydrophobicContact CD1-CE1 4.23Å; L375-F383 HydrophobicContact CD1-CE2 3.81Å; L375-F383 HydrophobicContact CD1-CZ 3.81Å; L375-F383 HydrophobicContact CD2-CD1 4.21Å; L375-F383 HydrophobicContact CD2-CE1 4.21Å; L375-F383 HydrophobicContact CG-CD1 4.13Å; L375-F383 HydrophobicContact CG-CD2 4.11Å; L375-F383 HydrophobicContact CG-CE1 4.19Å; L375-F383 HydrophobicContact CG-CE2 4.16Å; L375-F383 HydrophobicContact CG-CG 4.12Å; L375-F383 HydrophobicContact CG-CZ 4.21Å; L375-F383 WeakPolarHBondContact O-CD2 3.3Å; I376-F383 HydrophobicContact CB-CB 4.42Å; I376-F383 HydrophobicContact CG1-CB 3.9Å; Q379-F383 HydrophobicContact CB-CD2 3.84Å; Q379-F383 HydrophobicContact CB-CE2 3.95Å; Q379-F383 PolarHBondContact O-N 3.16Å; F383-R447 PolarHBondContact O-NH2 3.43Å; F383-V448 WeakPolarHBondContact CA-O 3.35Å; F383-V448 HydrophobicContact CD1-CB 3.61Å; F383-V448 HydrophobicContact CD1-CG1 3.77Å; F383-V448 HydrophobicContact CD1-CG2 4.24Å; F383-V448 HydrophobicContact CE1-CB 3.9Å; F383-V448 HydrophobicContact CE1-CG1 3.89Å; F383-V448 HydrophobicContact CE1-CG2 4.08Å; F383-V450 HydrophobicContact CB-CG2 4.2Å; F383-V450 HydrophobicContact CD1-CG2 3.87Å; F383-V450 HydrophobicContact CG-CG2 4.41Å; F383-L537 HydrophobicContact CE2-CD2 3.89Å; F383-L537 HydrophobicContact CZ-CD2 4.13Å; F383-T540 HydrophobicContact CE1-CG2 3.68Å; F383-T540 HydrophobicContact CZ-CG2 4Å
384	G	96	Very high	95.7	Very high	1 Å²	1	47 Å²	47	1%	0.01	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	154.7	176.1	0	0	0	0	0	112.3	V448 V450	G384-V448 PolarHBondContact N-O 2.64Å; G384-V450 PolarHBondContact O-N 2.99Å
385	A	95.8	Very high	95.7	Very high	37 Å²	37	49.7 Å²	49.7	31%	0.306	29%	0.288	S	S	.	.			trans	-114.6	146.3	169.4	0	0	0	0	0	109.5	K372 I376	K372-A385 HydrophobicContact CD-CB 4.5Å; I376-A385 HydrophobicContact CD1-CB 3.64Å
386	T	95.1	Very high	95.6	Very high	17 Å²	17	55 Å²	55	10%	0.104	33%	0.332	C	S	.	.	P	Polyproline II helix	trans	-68.8	150.1	171.5	51.1	0	0	0	0	111.1	T434 V439 L442 L451	T386-T434 HydrophobicContact CG2-CG2 4.2Å; T386-T434 WeakPolarHBondContact OG1-CG2 3.36Å; T386-V439 HydrophobicContact CG2-CG2 3.92Å; T386-L442 HydrophobicContact CG2-CD1 3.93Å; T386-L451 HydrophobicContact CG2-CD2 3.86Å
387	I	94.2	Very high	95.4	Very high	47 Å²	47	56.9 Å²	56.9	24%	0.241	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-98.5	120.9	172.1	-56.8	-178.9	0	0	0	107.3	G401	I387-G401 VanDerWaalsContact CD1-C 3.47Å; I387-G401 WeakPolarHBondContact CD1-O 3.4Å
388	P	94.5	Very high	95.3	Very high	42 Å²	42	55.9 Å²	55.9	27%	0.273	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-71	150.6	-177.3	27	-32.4	0	0	0	111.7	Y404 H405	P388-Y404 HydrophobicContact CB-CD1 4.26Å; P388-Y404 HydrophobicContact CB-CE1 4.37Å; P388-Y404 HydrophobicContact CG-CD1 3.69Å; P388-Y404 HydrophobicContact CG-CE1 3.65Å; P388-Y404 CarbonylContact O-C 3.53Å; P388-Y404 VanDerWaalsContact O-CA 3.28Å; P388-Y404 WeakPolarHBondContact O-CA 3.41Å; P388-H405 PolarHBondContact O-N 3.43Å
389	Y	97.2	Very high	95.3	Very high	38 Å²	38	57.3 Å²	57.3	15%	0.149	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	149.1	170	-71.8	-96.4	0	0	0	110.7	H405 T407 W415 Y432 G433 C435 S438	Y389-H405 CarbonylContact C-O 3.59Å; Y389-H405 VanDerWaalsContact CA-O 3.27Å; Y389-H405 WeakPolarHBondContact CA-O 3.42Å; Y389-H405 HydrophobicContact CD1-CB 3.28Å; Y389-H405 HydrophobicContact CD2-CB 4.35Å; Y389-H405 HydrophobicContact CE1-CB 3.34Å; Y389-H405 AromaticContact CE1-CG 3.89Å; Y389-H405 HydrophobicContact CE2-CB 4.39Å; Y389-H405 HydrophobicContact CG-CB 3.83Å; Y389-H405 AromaticContact CZ-CD2 3.94Å; Y389-T407 HydrophobicContact CD1-CG2 4.09Å; Y389-W415 AromaticContact CD1-CH2 3.62Å; Y389-W415 HydrophobicContact CD1-CH2 3.62Å; Y389-W415 AromaticContact CD1-CZ3 3.46Å; Y389-W415 HydrophobicContact CD1-CZ3 3.46Å; Y389-W415 VanDerWaalsContact CD1-CZ3 3.46Å; Y389-W415 HydrophobicContact CD2-CZ3 4.4Å; Y389-W415 AromaticContact CE1-CH2 3.49Å; Y389-W415 HydrophobicContact CE1-CH2 3.49Å; Y389-W415 VanDerWaalsContact CE1-CH2 3.49Å; Y389-W415 AromaticContact CE1-CZ3 3.82Å; Y389-W415 HydrophobicContact CE1-CZ3 3.82Å; Y389-W415 HydrophobicContact CG-CH2 4.33Å; Y389-W415 AromaticContact CG-CZ3 3.79Å; Y389-W415 HydrophobicContact CG-CZ3 3.79Å; Y389-Y432 WeakPolarHBondContact O-CA 3.35Å; Y389-G433 PolarHBondContact N-O 3.3Å; Y389-G433 PolarHBondContact O-N 3.46Å; Y389-C435 HydrophobicContact CD2-CB 3.93Å; Y389-C435 HydrophobicContact CE2-CB 3.63Å; Y389-S438 WeakPolarHBondContact CE2-OG 3.39Å
390	T	97.2	Very high	95.3	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	146.7	169.9	-172.6	0	0	0	0	112.6	R392 Y404 H405 F406 T407 M412 L431 Y432	T390-R392 VanDerWaalsContact C-N 3.28Å; T390-R392 HydrophobicContact CG2-CB 4.28Å; T390-R392 WeakPolarHBondContact OG1-CB 3.46Å; T390-R392 PolarHBondContact OG1-N 3.35Å; T390-R392 VanDerWaalsContact OG1-N 3.16Å; T390-Y404 HydrophobicContact CG2-CD1 3.99Å; T390-Y404 HydrophobicContact CG2-CD2 4.48Å; T390-Y404 HydrophobicContact CG2-CG 3.8Å; T390-H405 PolarHBondContact N-O 2.81Å; T390-F406 HydrophobicContact CG2-CD1 3.42Å; T390-F406 VanDerWaalsContact CG2-CD1 3.42Å; T390-F406 HydrophobicContact CG2-CE1 3.64Å; T390-F406 HydrophobicContact CG2-CG 4.45Å; T390-T407 PolarHBondContact O-N 3.43Å; T390-M412 VanDerWaalsContact C-SD 3.52Å; T390-L431 CarbonylContact C-O 3.54Å; T390-L431 WeakPolarHBondContact CA-O 3.28Å; T390-L431 PolarHBondContact OG1-O 3.44Å; T390-Y432 HydrophobicContact CG2-CE1 4.38Å; T390-Y432 WeakPolarHBondContact OG1-CD1 3.46Å; T390-Y432 WeakPolarHBondContact OG1-CE1 3.28Å
391	S	97.1	Very high	95.1	Very high	19 Å²	19	56 Å²	56	13%	0.133	34%	0.343	C	S	.	.	S	Bend	trans	-84.5	-4.3	170.8	80.8	0	0	0	0	113.3	T407 M412 N430 L431	S391-T407 WeakPolarHBondContact CA-O 3.31Å; S391-M412 PolarHBondContact N-SD 2.9Å; S391-N430 WeakPolarHBondContact OG-CA 3.49Å; S391-L431 PolarHBondContact N-O 3.27Å; S391-L431 PolarHBondContact OG-N 2.95Å
392	R	96.5	Very high	95	Very high	36 Å²	36	54.5 Å²	54.5	14%	0.136	33%	0.334	C	S	.	.	S	Bend	trans	-72.9	147.3	179.5	-164.6	-172	68.9	-165.8	-0.2	109.9	T390 K395 E398 F406 N430 Y432	T390-R392 VanDerWaalsContact C-N 3.28Å; T390-R392 HydrophobicContact CG2-CB 4.28Å; T390-R392 WeakPolarHBondContact OG1-CB 3.46Å; T390-R392 PolarHBondContact OG1-N 3.35Å; T390-R392 VanDerWaalsContact OG1-N 3.16Å; R392-K395 VanDerWaalsContact CZ-CE 3.45Å; R392-E398 IonicContact CZ-OE1 3.44Å; R392-E398 IonicContact CZ-OE2 2.89Å; R392-E398 IonicContact NH2-OE1 3.51Å; R392-E398 PolarHBondContact NH2-OE1 2.79Å; R392-E398 IonicContact NH2-OE2 3.61Å; R392-E398 PolarHBondContact NH2-OE2 2.99Å; R392-F406 VanDerWaalsContact O-CD1 3.27Å; R392-F406 WeakPolarHBondContact O-CD1 3.35Å; R392-N430 VanDerWaalsContact CA-OD1 3.28Å; R392-N430 WeakPolarHBondContact CA-OD1 3.45Å; R392-N430 HydrophobicContact CB-CB 3.89Å; R392-N430 HydrophobicContact CG-CB 4.43Å; R392-Y432 WeakPolarHBondContact CD-OH 3.5Å; R392-Y432 PolarHBondContact NH1-OH 2.96Å
393	T	94.9	Very high	94.8	Very high	111 Å²	111	56 Å²	56	68%	0.681	34%	0.343	S	S	*	.	P	Polyproline II helix	trans	-62.9	144.9	166.6	55.9	0	0	0	0	111.3	K395	T393-K395 PolarHBondContact O-N 3.43Å
394	P	95.3	Very high	94.7	Very high	73 Å²	73	59 Å²	59	47%	0.474	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-56.9	136.2	172.8	-17.1	24.9	0	0	0	111.4	F406	P394-F406 HydrophobicContact CB-CD1 4.32Å; P394-F406 HydrophobicContact CB-CD2 4.03Å; P394-F406 HydrophobicContact CB-CE1 4.08Å; P394-F406 HydrophobicContact CB-CE2 3.8Å; P394-F406 HydrophobicContact CB-CG 4.31Å; P394-F406 HydrophobicContact CB-CZ 3.82Å; P394-F406 HydrophobicContact CG-CB 4.16Å; P394-F406 HydrophobicContact CG-CD1 3.93Å; P394-F406 HydrophobicContact CG-CD2 3.62Å; P394-F406 HydrophobicContact CG-CE1 4.21Å; P394-F406 HydrophobicContact CG-CE2 3.94Å; P394-F406 HydrophobicContact CG-CG 3.64Å; P394-F406 HydrophobicContact CG-CZ 4.22Å
395	K	94.4	Very high	94.7	Very high	123 Å²	123	60.9 Å²	60.9	54%	0.535	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-84.8	161.7	170.1	-67.4	177.5	173.4	175	0	110.6	R392 T393 G397 E398	R392-K395 VanDerWaalsContact CZ-CE 3.45Å; T393-K395 PolarHBondContact O-N 3.43Å; K395-G397 PolarHBondContact O-N 3.33Å; K395-E398 HydrophobicContact CB-CG 4.1Å; K395-E398 PolarHBondContact N-OE2 2.87Å; K395-E398 PolarHBondContact O-N 2.85Å
396	A	94.5	Very high	94.8	Very high	112 Å²	112	60.9 Å²	60.9	93%	0.926	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	121.9	173.3	0	0	0	0	0	110.7
397	G	93.8	Very high	94.9	Very high	76 Å²	76	61.9 Å²	61.9	78%	0.784	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	92	-5.5	-179	0	0	0	0	0	115.7	K395	K395-G397 PolarHBondContact O-N 3.33Å
398	E	94.1	Very high	95	Very high	47 Å²	47	62.8 Å²	62.8	22%	0.22	37%	0.373	C	S	.	.			trans	-81.9	139	173.3	-65.9	-179.6	157	0	0	111.2	R392 K395 N403 F406	R392-E398 IonicContact CZ-OE1 3.44Å; R392-E398 IonicContact CZ-OE2 2.89Å; R392-E398 IonicContact NH2-OE1 3.51Å; R392-E398 PolarHBondContact NH2-OE1 2.79Å; R392-E398 IonicContact NH2-OE2 3.61Å; R392-E398 PolarHBondContact NH2-OE2 2.99Å; K395-E398 HydrophobicContact CB-CG 4.1Å; K395-E398 PolarHBondContact N-OE2 2.87Å; K395-E398 PolarHBondContact O-N 2.85Å; E398-N403 WeakPolarHBondContact CA-OD1 3.23Å; E398-N403 HydrophobicContact CB-CB 4.35Å; E398-N403 HydrophobicContact CG-CB 4.47Å; E398-F406 HydrophobicContact CB-CE2 4.29Å; E398-F406 HydrophobicContact CB-CZ 3.87Å; E398-F406 WeakPolarHBondContact OE2-CZ 3.49Å
399	I	94.2	Very high	95.1	Very high	104 Å²	104	65 Å²	65	53%	0.533	38%	0.376	S	S	.	.			trans	-112.7	126.9	-178.3	-55.3	173.1	0	0	0	108.9	G401 V402 N403	I399-G401 PolarHBondContact O-N 3.44Å; I399-V402 HydrophobicContact CB-CB 4.08Å; I399-V402 HydrophobicContact CB-CG2 4.1Å; I399-V402 HydrophobicContact CG2-CB 4.3Å; I399-V402 HydrophobicContact CG2-CG2 3.79Å; I399-V402 PolarHBondContact O-N 2.96Å; I399-V402 VanDerWaalsContact O-N 3.13Å; I399-N403 PolarHBondContact N-OD1 3Å; I399-N403 PolarHBondContact O-N 3.45Å
400	E	95.3	Very high	95.1	Very high	101 Å²	101	66.2 Å²	66.2	47%	0.472	40%	0.395	S	S	.	.	B	Isolated β-bridge	trans	-57.2	130.9	173	173.8	60.2	-145.2	0	0	110.2	V402 H405 F406	E400-V402 PolarHBondContact O-N 2.85Å; E400-H405 WeakPolarHBondContact OE1-CA 3.28Å; E400-H405 IonicContact OE1-CE1 2.8Å; E400-H405 IonicContact OE1-CG 3.62Å; E400-H405 IonicContact OE1-ND1 3.61Å; E400-H405 PolarHBondContact OE1-ND1 2.96Å; E400-F406 HydrophobicContact CB-CD2 4.39Å; E400-F406 WeakPolarHBondContact OE2-CB 3.17Å; E400-F406 WeakPolarHBondContact OE2-CD2 3.33Å; E400-F406 PolarHBondContact OE2-N 3.37Å
401	G	91.3	Very high	95.1	Very high	28 Å²	28	69 Å²	69	29%	0.289	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	73.1	13.2	-178.4	0	0	0	0	0	114.5	I387 I399 Y404	I387-G401 VanDerWaalsContact CD1-C 3.47Å; I387-G401 WeakPolarHBondContact CD1-O 3.4Å; I399-G401 PolarHBondContact O-N 3.44Å; G401-Y404 PolarHBondContact N-O 2.96Å
402	V	91.1	Very high	95.2	Very high	95 Å²	95	68.1 Å²	68.1	58%	0.576	40%	0.401	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.7	-53.8	168.2	-179.4	0	0	0	0	110.1	I399 E400	I399-V402 HydrophobicContact CB-CB 4.08Å; I399-V402 HydrophobicContact CB-CG2 4.1Å; I399-V402 HydrophobicContact CG2-CB 4.3Å; I399-V402 HydrophobicContact CG2-CG2 3.79Å; I399-V402 PolarHBondContact O-N 2.96Å; I399-V402 VanDerWaalsContact O-N 3.13Å; E400-V402 PolarHBondContact O-N 2.85Å
403	N	91	Very high	95.2	Very high	69 Å²	69	70.3 Å²	70.3	37%	0.369	41%	0.413	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.5	-49.7	-179.5	-62.8	102.7	0	0	0	111.4	E398 I399	E398-N403 WeakPolarHBondContact CA-OD1 3.23Å; E398-N403 HydrophobicContact CB-CB 4.35Å; E398-N403 HydrophobicContact CG-CB 4.47Å; I399-N403 PolarHBondContact N-OD1 3Å; I399-N403 PolarHBondContact O-N 3.45Å
404	Y	95.2	Very high	95.3	Very high	64 Å²	64	69.5 Å²	69.5	25%	0.251	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-151	162.7	179.3	-67.4	-83.5	0	0	0	109.4	P388 T390 G401 F406 Y432	P388-Y404 HydrophobicContact CB-CD1 4.26Å; P388-Y404 HydrophobicContact CB-CE1 4.37Å; P388-Y404 HydrophobicContact CG-CD1 3.69Å; P388-Y404 HydrophobicContact CG-CE1 3.65Å; P388-Y404 CarbonylContact O-C 3.53Å; P388-Y404 VanDerWaalsContact O-CA 3.28Å; P388-Y404 WeakPolarHBondContact O-CA 3.41Å; T390-Y404 HydrophobicContact CG2-CD1 3.99Å; T390-Y404 HydrophobicContact CG2-CD2 4.48Å; T390-Y404 HydrophobicContact CG2-CG 3.8Å; G401-Y404 PolarHBondContact N-O 2.96Å; Y404-F406 HydrophobicContact CD2-CE1 4.3Å; Y404-F406 HydrophobicContact CD2-CZ 4.23Å; Y404-F406 HydrophobicContact CG-CE1 4.42Å; Y404-Y432 HydrophobicContact CD1-CD1 4.36Å; Y404-Y432 HydrophobicContact CD1-CE1 4.44Å; Y404-Y432 AromaticContact CE1-CD1 3.82Å; Y404-Y432 HydrophobicContact CE1-CD1 3.82Å; Y404-Y432 AromaticContact CE1-CE1 3.88Å; Y404-Y432 HydrophobicContact CE1-CE1 3.88Å
405	H	96.4	Very high	95.3	Very high	40 Å²	40	67.2 Å²	67.2	19%	0.185	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	111.1	156.1	-72	-62.7	0	0	0	109.7	P388 Y389 T390 E400	P388-H405 PolarHBondContact O-N 3.43Å; Y389-H405 CarbonylContact C-O 3.59Å; Y389-H405 VanDerWaalsContact CA-O 3.27Å; Y389-H405 WeakPolarHBondContact CA-O 3.42Å; Y389-H405 HydrophobicContact CD1-CB 3.28Å; Y389-H405 HydrophobicContact CD2-CB 4.35Å; Y389-H405 HydrophobicContact CE1-CB 3.34Å; Y389-H405 AromaticContact CE1-CG 3.89Å; Y389-H405 HydrophobicContact CE2-CB 4.39Å; Y389-H405 HydrophobicContact CG-CB 3.83Å; Y389-H405 AromaticContact CZ-CD2 3.94Å; T390-H405 PolarHBondContact N-O 2.81Å; E400-H405 WeakPolarHBondContact OE1-CA 3.28Å; E400-H405 IonicContact OE1-CE1 2.8Å; E400-H405 IonicContact OE1-CG 3.62Å; E400-H405 IonicContact OE1-ND1 3.61Å; E400-H405 PolarHBondContact OE1-ND1 2.96Å
406	F	97.2	Very high	95.3	Very high	37 Å²	37	63.1 Å²	63.1	16%	0.162	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	117.4	-178	-60.5	-73.5	0	0	0	109.8	T390 R392 P394 E398 E400 Y404	T390-F406 HydrophobicContact CG2-CD1 3.42Å; T390-F406 VanDerWaalsContact CG2-CD1 3.42Å; T390-F406 HydrophobicContact CG2-CE1 3.64Å; T390-F406 HydrophobicContact CG2-CG 4.45Å; R392-F406 VanDerWaalsContact O-CD1 3.27Å; R392-F406 WeakPolarHBondContact O-CD1 3.35Å; P394-F406 HydrophobicContact CB-CD1 4.32Å; P394-F406 HydrophobicContact CB-CD2 4.03Å; P394-F406 HydrophobicContact CB-CE1 4.08Å; P394-F406 HydrophobicContact CB-CE2 3.8Å; P394-F406 HydrophobicContact CB-CG 4.31Å; P394-F406 HydrophobicContact CB-CZ 3.82Å; P394-F406 HydrophobicContact CG-CB 4.16Å; P394-F406 HydrophobicContact CG-CD1 3.93Å; P394-F406 HydrophobicContact CG-CD2 3.62Å; P394-F406 HydrophobicContact CG-CE1 4.21Å; P394-F406 HydrophobicContact CG-CE2 3.94Å; P394-F406 HydrophobicContact CG-CG 3.64Å; P394-F406 HydrophobicContact CG-CZ 4.22Å; E398-F406 HydrophobicContact CB-CE2 4.29Å; E398-F406 HydrophobicContact CB-CZ 3.87Å; E398-F406 WeakPolarHBondContact OE2-CZ 3.49Å; E400-F406 HydrophobicContact CB-CD2 4.39Å; E400-F406 WeakPolarHBondContact OE2-CB 3.17Å; E400-F406 WeakPolarHBondContact OE2-CD2 3.33Å; E400-F406 PolarHBondContact OE2-N 3.37Å; Y404-F406 HydrophobicContact CD2-CE1 4.3Å; Y404-F406 HydrophobicContact CD2-CZ 4.23Å; Y404-F406 HydrophobicContact CG-CE1 4.42Å
407	T	96.4	Very high	95.4	Very high	38 Å²	38	66.5 Å²	66.5	23%	0.233	35%	0.354	C	S	.	.			trans	-136	173.7	-177.1	-169.1	0	0	0	0	111.8	Y389 T390 S391 M412 W415	Y389-T407 HydrophobicContact CD1-CG2 4.09Å; T390-T407 PolarHBondContact O-N 3.43Å; S391-T407 WeakPolarHBondContact CA-O 3.31Å; T407-M412 HydrophobicContact CG2-CG 3.41Å; T407-M412 VanDerWaalsContact CG2-CG 3.41Å; T407-M412 HydrophobicContact CG2-SD 3.85Å; T407-W415 HydrophobicContact CG2-CH2 4.41Å; T407-W415 HydrophobicContact CG2-CZ3 3.95Å
408	S	97.2	Very high	95.4	Very high	66 Å²	66	66.8 Å²	66.8	46%	0.462	34%	0.338	S	S	.	.			trans	-77.1	147.8	176.6	72.5	0	0	0	0	111.5	A410 Q411 M412	S408-A410 VanDerWaalsContact C-N 3.26Å; S408-A410 PolarHBondContact O-N 2.9Å; S408-Q411 PolarHBondContact O-N 2.94Å; S408-Q411 VanDerWaalsContact O-N 3.13Å; S408-Q411 WeakPolarHBondContact OG-CB 3.37Å; S408-Q411 PolarHBondContact OG-N 3.41Å; S408-M412 PolarHBondContact O-N 3.42Å
409	R	97.4	Very high	95.2	Very high	87 Å²	87	70 Å²	70	33%	0.328	36%	0.356	S	S	.	.	H	α-helix	trans	-55.1	-43.2	173.3	-171.6	-179.1	176	104.1	5.5	111.7	Q411 M412 E413 E426 G429 L431	R409-Q411 VanDerWaalsContact C-N 3.27Å; R409-Q411 PolarHBondContact O-N 3.46Å; R409-M412 PolarHBondContact O-N 3.34Å; R409-M412 VanDerWaalsContact O-N 3.13Å; R409-E413 HydrophobicContact CG-CG 4.29Å; R409-E413 IonicContact CZ-OE1 2.78Å; R409-E413 IonicContact NE-OE1 3.28Å; R409-E413 PolarHBondContact NE-OE1 2.83Å; R409-E413 IonicContact NH2-OE1 3.65Å; R409-E413 WeakPolarHBondContact O-CG 3.21Å; R409-E413 PolarHBondContact O-N 2.79Å; R409-E426 IonicContact CZ-OE1 3.29Å; R409-E426 IonicContact CZ-OE2 2.79Å; R409-E426 VanDerWaalsContact NH1-CD 3.29Å; R409-E426 IonicContact NH1-OE1 2.61Å; R409-E426 PolarHBondContact NH1-OE1 3.4Å; R409-E426 IonicContact NH1-OE2 3.32Å; R409-E426 PolarHBondContact NH1-OE2 3.26Å; R409-E426 IonicContact NH2-OE1 2.89Å; R409-E426 IonicContact NH2-OE2 2.91Å; R409-E426 PolarHBondContact NH2-OE2 2.83Å; R409-G429 PolarHBondContact NH1-O 3.26Å; R409-L431 HydrophobicContact CG-CD1 3.75Å; R409-L431 HydrophobicContact CG-CG 4.25Å
410	A	97.6	Very high	95.1	Very high	65 Å²	65	69.2 Å²	69.2	54%	0.537	35%	0.347	S	S	.	.	H	α-helix	trans	-59	-36.6	178.7	0	0	0	0	0	113	S408 K414	S408-A410 VanDerWaalsContact C-N 3.26Å; S408-A410 PolarHBondContact O-N 2.9Å; A410-K414 WeakPolarHBondContact O-CB 3.5Å; A410-K414 PolarHBondContact O-N 3.36Å
411	Q	97.3	Very high	95.1	Very high	59 Å²	59	64.5 Å²	64.5	28%	0.276	33%	0.325	S	S	.	.	H	α-helix	trans	-70.6	-40.9	176.2	-175.6	56.3	56.2	0	0	111.8	S408 R409 K414 W415	S408-Q411 PolarHBondContact O-N 2.94Å; S408-Q411 VanDerWaalsContact O-N 3.13Å; S408-Q411 WeakPolarHBondContact OG-CB 3.37Å; S408-Q411 PolarHBondContact OG-N 3.41Å; R409-Q411 VanDerWaalsContact C-N 3.27Å; R409-Q411 PolarHBondContact O-N 3.46Å; Q411-K414 WeakPolarHBondContact O-CB 3.37Å; Q411-K414 PolarHBondContact O-N 2.75Å; Q411-W415 HydrophobicContact CG-CD2 4.28Å; Q411-W415 HydrophobicContact CG-CE3 4.47Å; Q411-W415 HydrophobicContact CG-CH2 3.95Å; Q411-W415 HydrophobicContact CG-CZ2 3.72Å; Q411-W415 HydrophobicContact CG-CZ3 4.32Å; Q411-W415 PolarHBondContact O-N 3.03Å
412	M	97.5	Very high	95.1	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-65.1	-42.5	174.7	-65.4	-170.9	74.2	0	0	111.8	T390 S391 T407 S408 R409 K414 W415 I416 L421 L431	T390-M412 VanDerWaalsContact C-SD 3.52Å; S391-M412 PolarHBondContact N-SD 2.9Å; T407-M412 HydrophobicContact CG2-CG 3.41Å; T407-M412 VanDerWaalsContact CG2-CG 3.41Å; T407-M412 HydrophobicContact CG2-SD 3.85Å; S408-M412 PolarHBondContact O-N 3.42Å; R409-M412 PolarHBondContact O-N 3.34Å; R409-M412 VanDerWaalsContact O-N 3.13Å; M412-K414 VanDerWaalsContact C-N 3.27Å; M412-K414 PolarHBondContact O-N 2.82Å; M412-W415 HydrophobicContact CG-CE3 4.21Å; M412-W415 HydrophobicContact CG-CZ3 4.3Å; M412-W415 PolarHBondContact O-N 3.33Å; M412-W415 VanDerWaalsContact O-N 3.08Å; M412-I416 VanDerWaalsContact O-CG1 3.32Å; M412-I416 WeakPolarHBondContact O-CG1 3.26Å; M412-I416 PolarHBondContact O-N 3.34Å; M412-L421 HydrophobicContact CE-CD1 4.22Å; M412-L431 HydrophobicContact CB-CB 4.36Å; M412-L431 HydrophobicContact CB-CD1 3.8Å; M412-L431 HydrophobicContact CE-CB 3.82Å; M412-L431 HydrophobicContact SD-CB 3.68Å
413	E	97	Very high	95.1	Very high	81 Å²	81	61.7 Å²	61.7	38%	0.379	30%	0.298	S	S	.	.	H	α-helix	trans	-62.4	-33.9	175.2	-72	173.6	170.4	0	0	112.5	R409 R417 L431	R409-E413 HydrophobicContact CG-CG 4.29Å; R409-E413 IonicContact CZ-OE1 2.78Å; R409-E413 IonicContact NE-OE1 3.28Å; R409-E413 PolarHBondContact NE-OE1 2.83Å; R409-E413 IonicContact NH2-OE1 3.65Å; R409-E413 WeakPolarHBondContact O-CG 3.21Å; R409-E413 PolarHBondContact O-N 2.79Å; E413-R417 WeakPolarHBondContact O-CG 3.42Å; E413-R417 PolarHBondContact O-N 3.46Å; E413-R417 VanDerWaalsContact O-N 3.11Å; E413-L431 HydrophobicContact CG-CD1 3.86Å
414	K	97.1	Very high	95.2	Very high	95 Å²	95	62.3 Å²	62.3	41%	0.413	30%	0.296	S	S	.	.	H	α-helix	trans	-63.4	-48.6	169.4	-178.5	-177.9	174.8	-176.1	0	111.1	A410 Q411 M412 I416 R417 D418	A410-K414 WeakPolarHBondContact O-CB 3.5Å; A410-K414 PolarHBondContact O-N 3.36Å; Q411-K414 WeakPolarHBondContact O-CB 3.37Å; Q411-K414 PolarHBondContact O-N 2.75Å; M412-K414 VanDerWaalsContact C-N 3.27Å; M412-K414 PolarHBondContact O-N 2.82Å; K414-I416 VanDerWaalsContact C-N 3.28Å; K414-I416 PolarHBondContact O-N 3.28Å; K414-R417 PolarHBondContact O-N 3.44Å; K414-R417 VanDerWaalsContact O-N 3.17Å; K414-D418 WeakPolarHBondContact O-CB 3.5Å; K414-D418 VanDerWaalsContact O-CG 3.26Å; K414-D418 PolarHBondContact O-N 3.05Å
415	W	96.5	Very high	95	Very high	25 Å²	25	60.9 Å²	60.9	10%	0.095	30%	0.301	C	S	.	.	H	α-helix	trans	-62.8	-32.6	177.6	-67.7	-31.8	0	0	0	113.7	Y389 T407 Q411 M412 D418 N419 R420 L421	Y389-W415 AromaticContact CD1-CH2 3.62Å; Y389-W415 HydrophobicContact CD1-CH2 3.62Å; Y389-W415 AromaticContact CD1-CZ3 3.46Å; Y389-W415 HydrophobicContact CD1-CZ3 3.46Å; Y389-W415 VanDerWaalsContact CD1-CZ3 3.46Å; Y389-W415 HydrophobicContact CD2-CZ3 4.4Å; Y389-W415 AromaticContact CE1-CH2 3.49Å; Y389-W415 HydrophobicContact CE1-CH2 3.49Å; Y389-W415 VanDerWaalsContact CE1-CH2 3.49Å; Y389-W415 AromaticContact CE1-CZ3 3.82Å; Y389-W415 HydrophobicContact CE1-CZ3 3.82Å; Y389-W415 HydrophobicContact CG-CH2 4.33Å; Y389-W415 AromaticContact CG-CZ3 3.79Å; Y389-W415 HydrophobicContact CG-CZ3 3.79Å; T407-W415 HydrophobicContact CG2-CH2 4.41Å; T407-W415 HydrophobicContact CG2-CZ3 3.95Å; Q411-W415 HydrophobicContact CG-CD2 4.28Å; Q411-W415 HydrophobicContact CG-CE3 4.47Å; Q411-W415 HydrophobicContact CG-CH2 3.95Å; Q411-W415 HydrophobicContact CG-CZ2 3.72Å; Q411-W415 HydrophobicContact CG-CZ3 4.32Å; Q411-W415 PolarHBondContact O-N 3.03Å; M412-W415 HydrophobicContact CG-CE3 4.21Å; M412-W415 HydrophobicContact CG-CZ3 4.3Å; M412-W415 PolarHBondContact O-N 3.33Å; M412-W415 VanDerWaalsContact O-N 3.08Å; W415-D418 PolarHBondContact O-N 3.49Å; W415-N419 PolarHBondContact O-N 3.25Å; W415-R420 HydrophobicContact CB-CB 4.17Å; W415-R420 HydrophobicContact CG-CB 4.47Å; W415-R420 PolarHBondContact O-N 2.96Å; W415-L421 HydrophobicContact CB-CD1 4.47Å; W415-L421 HydrophobicContact CB-CD2 4.26Å; W415-L421 HydrophobicContact CB-CG 3.92Å; W415-L421 HydrophobicContact CE3-CD2 4.17Å
416	I	94.1	Very high	94.9	Very high	36 Å²	36	64.2 Å²	64.2	19%	0.185	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-49.4	172.3	-68.5	166.9	0	0	0	110	M412 K414 D418 N419 L421 Y424 L431	M412-I416 VanDerWaalsContact O-CG1 3.32Å; M412-I416 WeakPolarHBondContact O-CG1 3.26Å; M412-I416 PolarHBondContact O-N 3.34Å; K414-I416 VanDerWaalsContact C-N 3.28Å; K414-I416 PolarHBondContact O-N 3.28Å; I416-D418 VanDerWaalsContact C-N 3.26Å; I416-D418 PolarHBondContact O-N 3.42Å; I416-N419 PolarHBondContact O-N 2.94Å; I416-N419 VanDerWaalsContact O-N 3.14Å; I416-L421 HydrophobicContact CD1-CD1 4.33Å; I416-L421 HydrophobicContact CG1-CD1 3.67Å; I416-L421 HydrophobicContact CG1-CG 4.46Å; I416-Y424 HydrophobicContact CD1-CD2 3.62Å; I416-Y424 HydrophobicContact CD1-CE2 3.82Å; I416-Y424 HydrophobicContact CD1-CG 4.02Å; I416-Y424 HydrophobicContact CG1-CD1 4.02Å; I416-Y424 HydrophobicContact CG1-CD2 3.99Å; I416-Y424 HydrophobicContact CG1-CE1 4.13Å; I416-Y424 HydrophobicContact CG1-CE2 4.1Å; I416-Y424 HydrophobicContact CG1-CG 3.94Å; I416-Y424 HydrophobicContact CG2-CE1 3.97Å; I416-Y424 HydrophobicContact CG2-CE2 4.03Å; I416-L431 HydrophobicContact CD1-CD1 4.2Å
417	R	95.1	Very high	94.5	Very high	184 Å²	184	68.4 Å²	68.4	69%	0.694	34%	0.335	S	S	*	.	H	α-helix	trans	-61.5	-34.8	177.2	-74	-176	-69.2	134	-6.7	113.1	E413 K414 N419	E413-R417 WeakPolarHBondContact O-CG 3.42Å; E413-R417 PolarHBondContact O-N 3.46Å; E413-R417 VanDerWaalsContact O-N 3.11Å; K414-R417 PolarHBondContact O-N 3.44Å; K414-R417 VanDerWaalsContact O-N 3.17Å; R417-N419 VanDerWaalsContact C-N 3.27Å; R417-N419 PolarHBondContact O-N 2.98Å
418	D	93.7	Very high	94.3	Very high	81 Å²	81	75 Å²	75	43%	0.433	36%	0.36	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	4.4	-180	-62.8	-16.7	0	0	0	113	K414 W415 I416 R420	K414-D418 WeakPolarHBondContact O-CB 3.5Å; K414-D418 VanDerWaalsContact O-CG 3.26Å; K414-D418 PolarHBondContact O-N 3.05Å; W415-D418 PolarHBondContact O-N 3.49Å; I416-D418 VanDerWaalsContact C-N 3.26Å; I416-D418 PolarHBondContact O-N 3.42Å; D418-R420 HydrophobicContact CB-CG 3.88Å; D418-R420 PolarHBondContact O-N 3.36Å
419	N	90.3	Very high	94.1	Very high	115 Å²	115	74 Å²	74	62%	0.615	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.8	34.2	-174.8	-65.9	-44.1	0	0	0	114.3	W415 I416 R417 L460	W415-N419 PolarHBondContact O-N 3.25Å; I416-N419 PolarHBondContact O-N 2.94Å; I416-N419 VanDerWaalsContact O-N 3.14Å; R417-N419 VanDerWaalsContact C-N 3.27Å; R417-N419 PolarHBondContact O-N 2.98Å; N419-L460 HydrophobicContact CB-CD2 4.37Å
420	R	93.5	Very high	94	Very high	87 Å²	87	71.8 Å²	71.8	33%	0.328	36%	0.355	S	S	.	.			trans	-92.8	-19.2	-179	-63.8	-176.5	71.3	-170.8	7.1	113.8	W415 D418 C435 V436 D437	W415-R420 HydrophobicContact CB-CB 4.17Å; W415-R420 HydrophobicContact CG-CB 4.47Å; W415-R420 PolarHBondContact O-N 2.96Å; D418-R420 HydrophobicContact CB-CG 3.88Å; D418-R420 PolarHBondContact O-N 3.36Å; R420-C435 PolarHBondContact O-SG 2.96Å; R420-V436 HydrophobicContact CB-CG1 4.47Å; R420-V436 WeakPolarHBondContact O-CG1 3.48Å; R420-V436 PolarHBondContact O-N 3.22Å; R420-D437 IonicContact CZ-OD1 2.85Å; R420-D437 IonicContact CZ-OD2 2.62Å; R420-D437 VanDerWaalsContact CZ-OD2 3.24Å; R420-D437 IonicContact NE-OD1 2.74Å; R420-D437 IonicContact NE-OD2 3.49Å; R420-D437 IonicContact NH2-OD1 3.53Å; R420-D437 PolarHBondContact NH2-OD1 3.43Å; R420-D437 IonicContact NH2-OD2 3.37Å; R420-D437 PolarHBondContact NH2-OD2 2.76Å
421	L	93.8	Very high	93.9	Very high	2 Å²	2	69 Å²	69	1%	0.01	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	116.6	172.2	-63.5	-174.4	0	0	0	109.7	M412 W415 I416 E423 Y424 T434 C435 L460	M412-L421 HydrophobicContact CE-CD1 4.22Å; W415-L421 HydrophobicContact CB-CD1 4.47Å; W415-L421 HydrophobicContact CB-CD2 4.26Å; W415-L421 HydrophobicContact CB-CG 3.92Å; W415-L421 HydrophobicContact CE3-CD2 4.17Å; I416-L421 HydrophobicContact CD1-CD1 4.33Å; I416-L421 HydrophobicContact CG1-CD1 3.67Å; I416-L421 HydrophobicContact CG1-CG 4.46Å; L421-E423 PolarHBondContact O-N 3.23Å; L421-Y424 HydrophobicContact CB-CD1 4Å; L421-Y424 HydrophobicContact CD1-CD1 4.49Å; L421-Y424 HydrophobicContact CD1-CG 4.3Å; L421-T434 CarbonylContact C-O 3.59Å; L421-T434 WeakPolarHBondContact CA-O 3.46Å; L421-C435 HydrophobicContact CD2-CB 3.99Å; L421-L460 WeakPolarHBondContact O-CD1 3.26Å
422	I	92.5	Very high	93.8	Very high	6 Å²	6	68.1 Å²	68.1	3%	0.031	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	-27.8	178.4	59	167.3	0	0	0	111.9	T434 V436 V439 L451 A457 L461	I422-T434 HydrophobicContact CD1-CG2 3.73Å; I422-T434 HydrophobicContact CG1-CG2 3.96Å; I422-T434 VanDerWaalsContact CG1-O 3.31Å; I422-T434 WeakPolarHBondContact CG1-O 3.15Å; I422-T434 PolarHBondContact N-O 3.48Å; I422-V436 HydrophobicContact CG2-CB 3.95Å; I422-V436 HydrophobicContact CG2-CG2 4.25Å; I422-V439 HydrophobicContact CD1-CG2 4.19Å; I422-L451 HydrophobicContact CD1-CD1 4.23Å; I422-L451 HydrophobicContact CD1-CD2 4.49Å; I422-A457 WeakPolarHBondContact O-CB 3.42Å; I422-L461 HydrophobicContact CB-CD2 4.27Å; I422-L461 HydrophobicContact CB-CG 4.38Å; I422-L461 HydrophobicContact CD1-CD1 4.48Å; I422-L461 HydrophobicContact CD1-CD2 3.92Å; I422-L461 HydrophobicContact CD1-CG 4.49Å; I422-L461 HydrophobicContact CG2-CD2 3.83Å; I422-L461 HydrophobicContact CG2-CG 4.29Å
423	E	90.5	Very high	93.7	Very high	58 Å²	58	68.3 Å²	68.3	27%	0.271	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152	145.6	171.1	68.2	-173	160.7	0	0	108.5	L421 G433 T434 P453 H454	L421-E423 PolarHBondContact O-N 3.23Å; E423-G433 CarbonylContact O-C 3.55Å; E423-G433 WeakPolarHBondContact O-CA 3.34Å; E423-T434 PolarHBondContact O-N 3.23Å; E423-T434 PolarHBondContact OE1-OG1 3.48Å; E423-P453 WeakPolarHBondContact OE2-CA 3.49Å; E423-P453 WeakPolarHBondContact OE2-CB 3.41Å; E423-H454 PolarHBondContact OE2-N 2.88Å
424	Y	93.5	Very high	93.6	Very high	82 Å²	82	64.9 Å²	64.9	32%	0.322	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	160.3	174.5	63.7	-88.4	0	0	0	110.9	L330 I416 L421 Y432	L330-Y424 HydrophobicContact CD1-CE1 4.38Å; L330-Y424 WeakPolarHBondContact CD2-OH 3.09Å; I416-Y424 HydrophobicContact CD1-CD2 3.62Å; I416-Y424 HydrophobicContact CD1-CE2 3.82Å; I416-Y424 HydrophobicContact CD1-CG 4.02Å; I416-Y424 HydrophobicContact CG1-CD1 4.02Å; I416-Y424 HydrophobicContact CG1-CD2 3.99Å; I416-Y424 HydrophobicContact CG1-CE1 4.13Å; I416-Y424 HydrophobicContact CG1-CE2 4.1Å; I416-Y424 HydrophobicContact CG1-CG 3.94Å; I416-Y424 HydrophobicContact CG2-CE1 3.97Å; I416-Y424 HydrophobicContact CG2-CE2 4.03Å; L421-Y424 HydrophobicContact CB-CD1 4Å; L421-Y424 HydrophobicContact CD1-CD1 4.49Å; L421-Y424 HydrophobicContact CD1-CG 4.3Å; Y424-Y432 CarbonylContact C-O 3.59Å; Y424-Y432 WeakPolarHBondContact CA-O 3.38Å; Y424-Y432 WeakPolarHBondContact CB-O 3.32Å
425	G	90.6	Very high	93.4	Very high	35 Å²	35	60.3 Å²	60.3	36%	0.361	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-161.2	163	176	0	0	0	0	0	111.2	L431 Y432	G425-L431 WeakPolarHBondContact O-CA 3.27Å; G425-Y432 PolarHBondContact N-O 3.17Å; G425-Y432 PolarHBondContact O-N 2.93Å
426	E	93.5	Very high	93.3	Very high	110 Å²	110	60.2 Å²	60.2	51%	0.514	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	128.2	177	-174	158.5	-178	0	0	110.3	R409 G429 N430 L431	R409-E426 IonicContact CZ-OE1 3.29Å; R409-E426 IonicContact CZ-OE2 2.79Å; R409-E426 VanDerWaalsContact NH1-CD 3.29Å; R409-E426 IonicContact NH1-OE1 2.61Å; R409-E426 PolarHBondContact NH1-OE1 3.4Å; R409-E426 IonicContact NH1-OE2 3.32Å; R409-E426 PolarHBondContact NH1-OE2 3.26Å; R409-E426 IonicContact NH2-OE1 2.89Å; R409-E426 IonicContact NH2-OE2 2.91Å; R409-E426 PolarHBondContact NH2-OE2 2.83Å; E426-G429 VanDerWaalsContact OE1-CA 3.27Å; E426-G429 WeakPolarHBondContact OE1-CA 3.27Å; E426-N430 CarbonylContact C-O 3.54Å; E426-N430 WeakPolarHBondContact CA-O 3.5Å; E426-L431 HydrophobicContact CB-CD2 4Å; E426-L431 HydrophobicContact CG-CD2 4.28Å
427	F	89.7	Confident	93.3	Very high	125 Å²	125	60.9 Å²	60.9	55%	0.548	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	123.3	176.3	-178	-107.8	0	0	0	110.4	G429 N430 Y432	F427-G429 VanDerWaalsContact C-N 3.26Å; F427-G429 PolarHBondContact O-N 3.25Å; F427-N430 PolarHBondContact N-O 3.08Å; F427-N430 PolarHBondContact O-N 3.18Å; F427-Y432 HydrophobicContact CB-CD2 4.02Å; F427-Y432 HydrophobicContact CB-CE2 3.88Å; F427-Y432 HydrophobicContact CD1-CE2 4.43Å
428	K	92.7	Very high	93.4	Very high	176 Å²	176	52.4 Å²	52.4	77%	0.765	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	45.9	-177.8	-62	-176.7	174.7	-176.1	0	112.5	N430	K428-N430 VanDerWaalsContact C-N 3.25Å; K428-N430 PolarHBondContact O-N 2.62Å; K428-N430 PolarHBondContact O-ND2 3.08Å
429	G	92.4	Very high	93.5	Very high	46 Å²	46	48.6 Å²	48.6	47%	0.474	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	76.5	1.4	179	0	0	0	0	0	115.7	R409 E426 F427	R409-G429 PolarHBondContact NH1-O 3.26Å; E426-G429 VanDerWaalsContact OE1-CA 3.27Å; E426-G429 WeakPolarHBondContact OE1-CA 3.27Å; F427-G429 VanDerWaalsContact C-N 3.26Å; F427-G429 PolarHBondContact O-N 3.25Å
430	N	96.2	Very high	93.7	Very high	40 Å²	40	45.4 Å²	45.4	21%	0.214	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	139.4	-179.2	-62	-79.5	0	0	0	110.6	S391 R392 E426 F427 K428 Y432	S391-N430 WeakPolarHBondContact OG-CA 3.49Å; R392-N430 VanDerWaalsContact CA-OD1 3.28Å; R392-N430 WeakPolarHBondContact CA-OD1 3.45Å; R392-N430 HydrophobicContact CB-CB 3.89Å; R392-N430 HydrophobicContact CG-CB 4.43Å; E426-N430 CarbonylContact C-O 3.54Å; E426-N430 WeakPolarHBondContact CA-O 3.5Å; F427-N430 PolarHBondContact N-O 3.08Å; F427-N430 PolarHBondContact O-N 3.18Å; K428-N430 VanDerWaalsContact C-N 3.25Å; K428-N430 PolarHBondContact O-N 2.62Å; K428-N430 PolarHBondContact O-ND2 3.08Å; N430-Y432 HydrophobicContact CB-CE2 4Å; N430-Y432 WeakPolarHBondContact O-CD2 3.42Å
431	L	95.4	Very high	93.8	Very high	7 Å²	7	46.3 Å²	46.3	4%	0.037	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	144.9	175	-62.6	177.8	0	0	0	110.4	T390 S391 R409 M412 E413 I416 G425 E426	T390-L431 CarbonylContact C-O 3.54Å; T390-L431 WeakPolarHBondContact CA-O 3.28Å; T390-L431 PolarHBondContact OG1-O 3.44Å; S391-L431 PolarHBondContact N-O 3.27Å; S391-L431 PolarHBondContact OG-N 2.95Å; R409-L431 HydrophobicContact CG-CD1 3.75Å; R409-L431 HydrophobicContact CG-CG 4.25Å; M412-L431 HydrophobicContact CB-CB 4.36Å; M412-L431 HydrophobicContact CB-CD1 3.8Å; M412-L431 HydrophobicContact CE-CB 3.82Å; M412-L431 HydrophobicContact SD-CB 3.68Å; E413-L431 HydrophobicContact CG-CD1 3.86Å; I416-L431 HydrophobicContact CD1-CD1 4.2Å; G425-L431 WeakPolarHBondContact O-CA 3.27Å; E426-L431 HydrophobicContact CB-CD2 4Å; E426-L431 HydrophobicContact CG-CD2 4.28Å
432	Y	94.9	Very high	93.8	Very high	40 Å²	40	46.9 Å²	46.9	16%	0.157	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	140.6	171.9	-67.7	-91.6	0	0	0	108.1	Y389 T390 R392 Y404 Y424 G425 F427 N430	Y389-Y432 WeakPolarHBondContact O-CA 3.35Å; T390-Y432 HydrophobicContact CG2-CE1 4.38Å; T390-Y432 WeakPolarHBondContact OG1-CD1 3.46Å; T390-Y432 WeakPolarHBondContact OG1-CE1 3.28Å; R392-Y432 WeakPolarHBondContact CD-OH 3.5Å; R392-Y432 PolarHBondContact NH1-OH 2.96Å; Y404-Y432 HydrophobicContact CD1-CD1 4.36Å; Y404-Y432 HydrophobicContact CD1-CE1 4.44Å; Y404-Y432 AromaticContact CE1-CD1 3.82Å; Y404-Y432 HydrophobicContact CE1-CD1 3.82Å; Y404-Y432 AromaticContact CE1-CE1 3.88Å; Y404-Y432 HydrophobicContact CE1-CE1 3.88Å; Y424-Y432 CarbonylContact C-O 3.59Å; Y424-Y432 WeakPolarHBondContact CA-O 3.38Å; Y424-Y432 WeakPolarHBondContact CB-O 3.32Å; G425-Y432 PolarHBondContact N-O 3.17Å; G425-Y432 PolarHBondContact O-N 2.93Å; F427-Y432 HydrophobicContact CB-CD2 4.02Å; F427-Y432 HydrophobicContact CB-CE2 3.88Å; F427-Y432 HydrophobicContact CD1-CE2 4.43Å; N430-Y432 HydrophobicContact CB-CE2 4Å; N430-Y432 WeakPolarHBondContact O-CD2 3.42Å
433	G	94.3	Very high	93.9	Very high	4 Å²	4	46.9 Å²	46.9	4%	0.041	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-174.1	160.7	176.4	0	0	0	0	0	114.3	Y389 E423	Y389-G433 PolarHBondContact N-O 3.3Å; Y389-G433 PolarHBondContact O-N 3.46Å; E423-G433 CarbonylContact O-C 3.55Å; E423-G433 WeakPolarHBondContact O-CA 3.34Å
434	T	94.4	Very high	94.1	Very high	8 Å²	8	50.6 Å²	50.6	5%	0.049	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	125	177.4	-55	0	0	0	0	108.5	T386 L421 I422 E423	T386-T434 HydrophobicContact CG2-CG2 4.2Å; T386-T434 WeakPolarHBondContact OG1-CG2 3.36Å; L421-T434 CarbonylContact C-O 3.59Å; L421-T434 WeakPolarHBondContact CA-O 3.46Å; I422-T434 HydrophobicContact CD1-CG2 3.73Å; I422-T434 HydrophobicContact CG1-CG2 3.96Å; I422-T434 VanDerWaalsContact CG1-O 3.31Å; I422-T434 WeakPolarHBondContact CG1-O 3.15Å; I422-T434 PolarHBondContact N-O 3.48Å; E423-T434 PolarHBondContact O-N 3.23Å; E423-T434 PolarHBondContact OE1-OG1 3.48Å
435	C	94.6	Very high	94.1	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	144.6	177.4	-164.6	0	0	0	0	110.7	Y389 R420 L421 D437 S438	Y389-C435 HydrophobicContact CD2-CB 3.93Å; Y389-C435 HydrophobicContact CE2-CB 3.63Å; R420-C435 PolarHBondContact O-SG 2.96Å; L421-C435 HydrophobicContact CD2-CB 3.99Å; C435-D437 PolarHBondContact O-N 2.74Å; C435-D437 PolarHBondContact SG-OD2 2.9Å; C435-S438 PolarHBondContact O-N 3.08Å
436	V	94.6	Very high	94.3	Very high	23 Å²	23	51.1 Å²	51.1	14%	0.139	26%	0.264	C	S	.	.	H	α-helix	trans	-60.4	-32.8	172.5	70.9	0	0	0	0	111.9	R420 I422 S438 V439 K440 L466	R420-V436 HydrophobicContact CB-CG1 4.47Å; R420-V436 WeakPolarHBondContact O-CG1 3.48Å; R420-V436 PolarHBondContact O-N 3.22Å; I422-V436 HydrophobicContact CG2-CB 3.95Å; I422-V436 HydrophobicContact CG2-CG2 4.25Å; V436-S438 VanDerWaalsContact C-N 3.27Å; V436-S438 PolarHBondContact O-N 2.83Å; V436-V439 WeakPolarHBondContact O-CB 3.18Å; V436-V439 PolarHBondContact O-N 3.32Å; V436-K440 PolarHBondContact O-N 2.82Å; V436-K440 VanDerWaalsContact O-N 3.15Å; V436-L466 HydrophobicContact CG2-CD1 3.9Å; V436-L466 HydrophobicContact CG2-CD2 4.43Å
437	D	94.2	Very high	94.3	Very high	49 Å²	49	49 Å²	49	26%	0.262	25%	0.251	S	S	.	.	H	α-helix	trans	-62.5	-35.7	179.5	-51	-41.9	0	0	0	111.8	R420 C435 V439 K440 E441	R420-D437 IonicContact CZ-OD1 2.85Å; R420-D437 IonicContact CZ-OD2 2.62Å; R420-D437 VanDerWaalsContact CZ-OD2 3.24Å; R420-D437 IonicContact NE-OD1 2.74Å; R420-D437 IonicContact NE-OD2 3.49Å; R420-D437 IonicContact NH2-OD1 3.53Å; R420-D437 PolarHBondContact NH2-OD1 3.43Å; R420-D437 IonicContact NH2-OD2 3.37Å; R420-D437 PolarHBondContact NH2-OD2 2.76Å; C435-D437 PolarHBondContact O-N 2.74Å; C435-D437 PolarHBondContact SG-OD2 2.9Å; D437-V439 PolarHBondContact O-N 2.88Å; D437-K440 PolarHBondContact O-N 3.02Å; D437-E441 WeakPolarHBondContact O-CB 3.45Å; D437-E441 PolarHBondContact O-N 3.34Å
438	S	95.3	Very high	94.6	Very high	7 Å²	7	43.2 Å²	43.2	5%	0.049	23%	0.226	C	C	.	.	H	α-helix	trans	-67	-27.7	177.1	-60.1	0	0	0	0	112.4	Y389 C435 V436 L442	Y389-S438 WeakPolarHBondContact CE2-OG 3.39Å; C435-S438 PolarHBondContact O-N 3.08Å; V436-S438 VanDerWaalsContact C-N 3.27Å; V436-S438 PolarHBondContact O-N 2.83Å; S438-L442 PolarHBondContact O-N 3.03Å
439	V	95.9	Very high	94.9	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-69.9	-47.4	172.6	-176.6	0	0	0	0	109.3	P357 T386 I422 V436 D437 E441 L442 M443 C449 L451 L466	P357-V439 HydrophobicContact CB-CG1 4.28Å; P357-V439 HydrophobicContact CG-CG1 3.81Å; T386-V439 HydrophobicContact CG2-CG2 3.92Å; I422-V439 HydrophobicContact CD1-CG2 4.19Å; V436-V439 WeakPolarHBondContact O-CB 3.18Å; V436-V439 PolarHBondContact O-N 3.32Å; D437-V439 PolarHBondContact O-N 2.88Å; V439-E441 PolarHBondContact O-N 2.97Å; V439-L442 PolarHBondContact O-N 3.3Å; V439-M443 HydrophobicContact CG1-SD 4.15Å; V439-M443 WeakPolarHBondContact O-CG 3.37Å; V439-M443 PolarHBondContact O-N 2.79Å; V439-M443 VanDerWaalsContact O-N 3.17Å; V439-C449 HydrophobicContact CG1-CB 4.18Å; V439-L451 HydrophobicContact CG1-CD1 4.17Å; V439-L451 HydrophobicContact CG2-CD1 3.86Å; V439-L451 HydrophobicContact CG2-CD2 4.24Å; V439-L466 HydrophobicContact CB-CD2 4.47Å; V439-L466 HydrophobicContact CG1-CD2 4.02Å
440	K	95	Very high	95.1	Very high	48 Å²	48	32.6 Å²	32.6	21%	0.209	17%	0.167	C	C	.	.	H	α-helix	trans	-61.5	-43.3	178.9	-62.9	179.5	-173.6	-168	0	112.2	V436 D437 L442 M443 D444 E465 L466	V436-K440 PolarHBondContact O-N 2.82Å; V436-K440 VanDerWaalsContact O-N 3.15Å; D437-K440 PolarHBondContact O-N 3.02Å; K440-L442 VanDerWaalsContact C-N 3.28Å; K440-L442 PolarHBondContact O-N 2.93Å; K440-M443 CarbonylContact O-C 3.59Å; K440-M443 WeakPolarHBondContact O-CA 3.38Å; K440-M443 WeakPolarHBondContact O-CB 3.1Å; K440-M443 PolarHBondContact O-N 3.04Å; K440-D444 VanDerWaalsContact O-CG 3.29Å; K440-D444 PolarHBondContact O-N 3.38Å; K440-E465 WeakPolarHBondContact CD-OE1 3.3Å; K440-E465 WeakPolarHBondContact CE-OE1 3.48Å; K440-E465 WeakPolarHBondContact CE-OE2 3.35Å; K440-E465 IonicContact NZ-OE1 3.91Å; K440-E465 PolarHBondContact NZ-OE1 2.83Å; K440-E465 IonicContact NZ-OE2 3.47Å; K440-E465 PolarHBondContact NZ-OE2 2.87Å; K440-L466 HydrophobicContact CG-CD2 3.94Å
441	E	95	Very high	95.1	Very high	106 Å²	106	30.9 Å²	30.9	50%	0.495	16%	0.158	S	C	.	.	H	α-helix	trans	-57.3	-41	178.2	-173.1	-175.8	173.1	0	0	112.2	D437 V439 D444 Q445	D437-E441 WeakPolarHBondContact O-CB 3.45Å; D437-E441 PolarHBondContact O-N 3.34Å; V439-E441 PolarHBondContact O-N 2.97Å; E441-D444 PolarHBondContact O-N 2.92Å; E441-Q445 VanDerWaalsContact O-CG 3.23Å; E441-Q445 WeakPolarHBondContact O-CG 3.24Å; E441-Q445 PolarHBondContact O-N 3.47Å; E441-Q445 VanDerWaalsContact O-N 3.13Å
442	L	95	Very high	95.1	Very high	14 Å²	14	32.5 Å²	32.5	7%	0.073	17%	0.166	C	C	.	.	H	α-helix	trans	-67.4	-37.1	174.7	-75.3	170.5	0	0	0	112.4	T386 S438 V439 K440 Q445 R447 C449	T386-L442 HydrophobicContact CG2-CD1 3.93Å; S438-L442 PolarHBondContact O-N 3.03Å; V439-L442 PolarHBondContact O-N 3.3Å; K440-L442 VanDerWaalsContact C-N 3.28Å; K440-L442 PolarHBondContact O-N 2.93Å; L442-Q445 PolarHBondContact O-N 3.4Å; L442-R447 WeakPolarHBondContact O-CB 3.43Å; L442-R447 PolarHBondContact O-N 2.91Å; L442-R447 VanDerWaalsContact O-N 3.07Å; L442-C449 HydrophobicContact CB-CB 4.14Å; L442-C449 HydrophobicContact CD1-CB 4.16Å
443	M	94.8	Very high	95	Very high	7 Å²	7	30.7 Å²	30.7	3%	0.034	16%	0.159	C	C	.	.	H	α-helix	trans	-66.8	-41.9	176	-64.7	170.3	64.1	0	0	111.3	F354 P357 V439 K440 Q445 G446 L466	F354-M443 HydrophobicContact CE1-CE 3.85Å; F354-M443 HydrophobicContact CE2-CE 3.69Å; F354-M443 HydrophobicContact CZ-CE 3.2Å; P357-M443 HydrophobicContact CG-CE 4.27Å; P357-M443 HydrophobicContact CG-CG 4.18Å; P357-M443 HydrophobicContact CG-SD 3.48Å; P357-M443 WeakPolarHBondContact CG-SD 3.24Å; V439-M443 HydrophobicContact CG1-SD 4.15Å; V439-M443 WeakPolarHBondContact O-CG 3.37Å; V439-M443 PolarHBondContact O-N 2.79Å; V439-M443 VanDerWaalsContact O-N 3.17Å; K440-M443 CarbonylContact O-C 3.59Å; K440-M443 WeakPolarHBondContact O-CA 3.38Å; K440-M443 WeakPolarHBondContact O-CB 3.1Å; K440-M443 PolarHBondContact O-N 3.04Å; M443-Q445 PolarHBondContact O-N 2.98Å; M443-G446 WeakPolarHBondContact O-CA 3.24Å; M443-G446 PolarHBondContact O-N 3.05Å; M443-L466 HydrophobicContact SD-CD2 3.79Å
444	D	94.2	Very high	94.9	Very high	136 Å²	136	35.4 Å²	35.4	73%	0.727	18%	0.18	S	C	*	.	H	α-helix	trans	-64.6	-28.3	177.6	-68	-23.1	0	0	0	112.2	K440 E441 G446	K440-D444 VanDerWaalsContact O-CG 3.29Å; K440-D444 PolarHBondContact O-N 3.38Å; E441-D444 PolarHBondContact O-N 2.92Å; D444-G446 PolarHBondContact O-N 3.49Å
445	Q	94	Very high	94.8	Very high	100 Å²	100	35.3 Å²	35.3	47%	0.467	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-0.1	171	-69.3	167.9	17.6	0	0	113.4	E441 L442 M443 R447	E441-Q445 VanDerWaalsContact O-CG 3.23Å; E441-Q445 WeakPolarHBondContact O-CG 3.24Å; E441-Q445 PolarHBondContact O-N 3.47Å; E441-Q445 VanDerWaalsContact O-N 3.13Å; L442-Q445 PolarHBondContact O-N 3.4Å; M443-Q445 PolarHBondContact O-N 2.98Å; Q445-R447 VanDerWaalsContact C-N 3.33Å; Q445-R447 HydrophobicContact CB-CG 4.26Å
446	G	93.5	Very high	94.6	Very high	28 Å²	28	40.5 Å²	40.5	29%	0.289	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.5	28.1	-175.7	0	0	0	0	0	113	H355 M443 D444	H355-G446 PolarHBondContact CD2-O 3.44Å; M443-G446 WeakPolarHBondContact O-CA 3.24Å; M443-G446 PolarHBondContact O-N 3.05Å; D444-G446 PolarHBondContact O-N 3.49Å
447	R	94.9	Very high	94.5	Very high	64 Å²	64	39.5 Å²	39.5	24%	0.242	20%	0.199	C	C	.	.			trans	-110.6	149.9	-179.8	-61.8	178.7	70.6	-164	4.1	111.3	P380 T381 K382 F383 L442 Q445 C449	P380-R447 PolarHBondContact O-NH2 2.75Å; T381-R447 PolarHBondContact O-NE 3.47Å; K382-R447 CarbonylContact O-C 3.5Å; K382-R447 WeakPolarHBondContact O-CA 3.3Å; K382-R447 WeakPolarHBondContact O-CB 3.24Å; F383-R447 PolarHBondContact O-NH2 3.43Å; L442-R447 WeakPolarHBondContact O-CB 3.43Å; L442-R447 PolarHBondContact O-N 2.91Å; L442-R447 VanDerWaalsContact O-N 3.07Å; Q445-R447 VanDerWaalsContact C-N 3.33Å; Q445-R447 HydrophobicContact CB-CG 4.26Å; R447-C449 PolarHBondContact O-N 2.76Å
448	V	96.2	Very high	94.5	Very high	4 Å²	4	37.2 Å²	37.2	2%	0.024	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	110.9	171.5	-179.7	0	0	0	0	108.4	H355 I358 K382 F383 G384 V450	H355-V448 HydrophobicContact CB-CB 4.38Å; H355-V448 HydrophobicContact CB-CG2 3.67Å; I358-V448 HydrophobicContact CG1-CG1 3.62Å; K382-V448 HydrophobicContact CG-CG2 4.22Å; K382-V448 PolarHBondContact O-N 3.06Å; F383-V448 WeakPolarHBondContact CA-O 3.35Å; F383-V448 HydrophobicContact CD1-CB 3.61Å; F383-V448 HydrophobicContact CD1-CG1 3.77Å; F383-V448 HydrophobicContact CD1-CG2 4.24Å; F383-V448 HydrophobicContact CE1-CB 3.9Å; F383-V448 HydrophobicContact CE1-CG1 3.89Å; F383-V448 HydrophobicContact CE1-CG2 4.08Å; G384-V448 PolarHBondContact N-O 2.64Å; V448-V450 HydrophobicContact CG1-CG2 4.47Å; V448-V450 PolarHBondContact O-N 3.21Å
449	C	97.2	Very high	94.1	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	122.5	172.6	-174	0	0	0	0	110.4	P357 I358 V439 L442 R447	P357-C449 CarbonylContact C-O 3.57Å; P357-C449 VanDerWaalsContact CA-O 3.27Å; P357-C449 WeakPolarHBondContact CA-O 3.41Å; P357-C449 HydrophobicContact CB-CB 4.17Å; P357-C449 HydrophobicContact CG-CB 4.45Å; I358-C449 PolarHBondContact N-O 3Å; V439-C449 HydrophobicContact CG1-CB 4.18Å; L442-C449 HydrophobicContact CB-CB 4.14Å; L442-C449 HydrophobicContact CD1-CB 4.16Å; R447-C449 PolarHBondContact O-N 2.76Å
450	V	97.8	Very high	93.8	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	117.9	176.8	-171	0	0	0	0	109.5	I358 L360 K372 L375 F383 G384 V448	I358-V450 WeakPolarHBondContact O-CA 3.37Å; L360-V450 HydrophobicContact CD1-CG1 4.39Å; K372-V450 HydrophobicContact CB-CG1 4.19Å; K372-V450 HydrophobicContact CD-CG1 4.28Å; K372-V450 WeakPolarHBondContact CD-O 3.3Å; K372-V450 HydrophobicContact CG-CB 4.21Å; K372-V450 HydrophobicContact CG-CG1 3.77Å; L375-V450 HydrophobicContact CD2-CG1 4.24Å; L375-V450 HydrophobicContact CD2-CG2 3.94Å; F383-V450 HydrophobicContact CB-CG2 4.2Å; F383-V450 HydrophobicContact CD1-CG2 3.87Å; F383-V450 HydrophobicContact CG-CG2 4.41Å; G384-V450 PolarHBondContact O-N 2.99Å; V448-V450 HydrophobicContact CG1-CG2 4.47Å; V448-V450 PolarHBondContact O-N 3.21Å
451	L	96.7	Very high	93.8	Very high	4 Å²	4	42.9 Å²	42.9	2%	0.021	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	149.5	-175.1	-61.5	169.8	0	0	0	110.8	I358 V359 L360 T386 I422 V439 L461	I358-L451 PolarHBondContact O-N 2.98Å; V359-L451 HydrophobicContact CG2-CB 4.5Å; V359-L451 HydrophobicContact CG2-CD1 4.37Å; L360-L451 PolarHBondContact N-O 3.24Å; T386-L451 HydrophobicContact CG2-CD2 3.86Å; I422-L451 HydrophobicContact CD1-CD1 4.23Å; I422-L451 HydrophobicContact CD1-CD2 4.49Å; V439-L451 HydrophobicContact CG1-CD1 4.17Å; V439-L451 HydrophobicContact CG2-CD1 3.86Å; V439-L451 HydrophobicContact CG2-CD2 4.24Å; L451-L461 HydrophobicContact CD1-CD1 4.47Å; L451-L461 HydrophobicContact CD1-CD2 4.05Å
452	N	94.5	Very high	93.7	Very high	40 Å²	40	39.5 Å²	39.5	21%	0.214	20%	0.195	C	C	.	.			trans	-133.7	53.9	175.4	62.8	-48.7	0	0	0	111.7	R368 K372	R368-N452 HydrophobicContact CB-CB 4.34Å; K372-N452 PolarHBondContact NZ-OD1 3.3Å
453	P	93.7	Very high	93.6	Very high	2 Å²	2	41.4 Å²	41.4	1%	0.013	21%	0.207	C	C	.	.			trans	-76.5	176.4	-166.6	36.3	-37.9	0	0	0	112.4	V359 I361 R368 E423 A457 L461	V359-P453 HydrophobicContact CG1-CG 3.64Å; I361-P453 HydrophobicContact CD1-CG 3.92Å; R368-P453 PolarHBondContact NH1-O 2.82Å; E423-P453 WeakPolarHBondContact OE2-CA 3.49Å; E423-P453 WeakPolarHBondContact OE2-CB 3.41Å; P453-A457 HydrophobicContact CB-CB 3.67Å; P453-A457 HydrophobicContact CG-CB 3.98Å; P453-L461 HydrophobicContact CG-CD1 3.89Å
454	H	92.2	Very high	93.5	Very high	103 Å²	103	42.1 Å²	42.1	48%	0.477	22%	0.217	S	C	.	.			trans	-62.4	142.5	163	-167.4	-105.3	0	0	0	110.8	E423 Q456 A457	E423-H454 PolarHBondContact OE2-N 2.88Å; H454-Q456 PolarHBondContact CE1-OE1 3.16Å; H454-Q456 VanDerWaalsContact CE1-OE1 3.29Å; H454-Q456 PolarHBondContact ND1-N 3.31Å; H454-Q456 PolarHBondContact ND1-OE1 2.89Å; H454-Q456 VanDerWaalsContact ND1-OE1 3.09Å; H454-Q456 PolarHBondContact O-N 2.98Å; H454-A457 WeakPolarHBondContact O-CB 2.76Å; H454-A457 PolarHBondContact O-N 2.79Å
455	P	92.1	Very high	93.4	Very high	6 Å²	6	41 Å²	41	4%	0.039	21%	0.207	C	C	.	.	G	3₁₀ helix	trans	-53.7	-29.6	-179.8	-27.7	34.4	0	0	0	115.1	I361 A457 I458 L512 F516	I361-P455 HydrophobicContact CG2-CB 4.17Å; I361-P455 HydrophobicContact CG2-CG 4.05Å; P455-A457 PolarHBondContact O-N 3.35Å; P455-I458 WeakPolarHBondContact O-CB 3.48Å; P455-I458 WeakPolarHBondContact O-CD1 3.49Å; P455-I458 WeakPolarHBondContact O-CG1 3.26Å; P455-I458 PolarHBondContact O-N 2.82Å; P455-I458 VanDerWaalsContact O-N 3.13Å; P455-L512 HydrophobicContact CB-CD2 3.88Å; P455-L512 HydrophobicContact CG-CD1 4.32Å; P455-L512 HydrophobicContact CG-CD2 3.48Å; P455-L512 VanDerWaalsContact CG-CD2 3.48Å; P455-F516 HydrophobicContact CB-CD2 3.85Å; P455-F516 HydrophobicContact CB-CE2 3.58Å; P455-F516 HydrophobicContact CB-CG 4.49Å; P455-F516 HydrophobicContact CB-CZ 4Å
456	Q	89.7	Confident	93.5	Very high	109 Å²	109	36.4 Å²	36.4	51%	0.509	19%	0.185	S	C	.	.	G	3₁₀ helix	trans	-62.1	-23.8	175.3	-71.3	170.3	-34.9	0	0	113.4	H454 I458 K459	H454-Q456 PolarHBondContact CE1-OE1 3.16Å; H454-Q456 VanDerWaalsContact CE1-OE1 3.29Å; H454-Q456 PolarHBondContact ND1-N 3.31Å; H454-Q456 PolarHBondContact ND1-OE1 2.89Å; H454-Q456 VanDerWaalsContact ND1-OE1 3.09Å; H454-Q456 PolarHBondContact O-N 2.98Å; Q456-I458 PolarHBondContact O-N 2.69Å; Q456-K459 PolarHBondContact O-N 2.59Å
457	A	93	Very high	93.6	Very high	3 Å²	3	36.3 Å²	36.3	3%	0.025	18%	0.177	C	C	.	.	G	3₁₀ helix	trans	-65.6	-16.5	176.8	0	0	0	0	0	113	I422 P453 H454 P455 K459 L460 L461	I422-A457 WeakPolarHBondContact O-CB 3.42Å; P453-A457 HydrophobicContact CB-CB 3.67Å; P453-A457 HydrophobicContact CG-CB 3.98Å; H454-A457 WeakPolarHBondContact O-CB 2.76Å; H454-A457 PolarHBondContact O-N 2.79Å; P455-A457 PolarHBondContact O-N 3.35Å; A457-K459 PolarHBondContact O-N 2.89Å; A457-L460 PolarHBondContact O-N 2.87Å; A457-L460 VanDerWaalsContact O-N 3.09Å; A457-L461 HydrophobicContact CB-CD1 4.13Å; A457-L461 WeakPolarHBondContact O-CB 3.43Å; A457-L461 WeakPolarHBondContact O-CG 3.46Å; A457-L461 PolarHBondContact O-N 3.1Å
458	I	92.9	Very high	93.6	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-52.6	-44.3	176.8	-68.3	168.8	0	0	0	110.5	I361 P455 Q456 L460 L461 R462 F470 F516 F519 F520	I361-I458 HydrophobicContact CD1-CD1 4.44Å; I361-I458 HydrophobicContact CD1-CG1 4.21Å; I361-I458 HydrophobicContact CG1-CD1 4.13Å; I361-I458 HydrophobicContact CG1-CG1 4.24Å; I361-I458 HydrophobicContact CG2-CD1 4.41Å; P455-I458 WeakPolarHBondContact O-CB 3.48Å; P455-I458 WeakPolarHBondContact O-CD1 3.49Å; P455-I458 WeakPolarHBondContact O-CG1 3.26Å; P455-I458 PolarHBondContact O-N 2.82Å; P455-I458 VanDerWaalsContact O-N 3.13Å; Q456-I458 PolarHBondContact O-N 2.69Å; I458-L460 VanDerWaalsContact C-N 3.29Å; I458-L460 PolarHBondContact O-N 2.97Å; I458-L461 PolarHBondContact O-N 3.41Å; I458-R462 WeakPolarHBondContact O-CB 3.38Å; I458-R462 PolarHBondContact O-N 2.73Å; I458-F470 HydrophobicContact CB-CE1 4.15Å; I458-F470 HydrophobicContact CB-CZ 4.35Å; I458-F470 HydrophobicContact CG1-CD1 4.04Å; I458-F470 HydrophobicContact CG1-CE1 3.73Å; I458-F470 HydrophobicContact CG1-CZ 4.4Å; I458-F470 HydrophobicContact CG2-CE1 4.12Å; I458-F470 HydrophobicContact CG2-CE2 4.37Å; I458-F470 HydrophobicContact CG2-CZ 3.93Å; I458-F516 HydrophobicContact CD1-CB 3.95Å; I458-F516 HydrophobicContact CD1-CD1 3.89Å; I458-F516 HydrophobicContact CD1-CG 4.02Å; I458-F519 HydrophobicContact CG2-CB 3.86Å; I458-F519 HydrophobicContact CG2-CD1 4.29Å; I458-F519 HydrophobicContact CG2-CD2 3.83Å; I458-F519 HydrophobicContact CG2-CE2 4.37Å; I458-F519 HydrophobicContact CG2-CG 3.75Å; I458-F520 HydrophobicContact CD1-CE1 4Å
459	K	87.2	Confident	93.7	Very high	113 Å²	113	34.1 Å²	34.1	49%	0.491	17%	0.169	S	C	.	.	H	α-helix	trans	-59.4	-38.7	-179.6	-67.9	-176.7	175.7	-178.7	0	112.6	E333 Q456 A457	E333-K459 PolarHBondContact O-NZ 2.74Å; Q456-K459 PolarHBondContact O-N 2.59Å; A457-K459 PolarHBondContact O-N 2.89Å
460	L	90.9	Very high	93.7	Very high	61 Å²	61	34.1 Å²	34.1	32%	0.319	17%	0.169	S	C	.	.	H	α-helix	trans	-83	-31.1	-178.8	-67	173.1	0	0	0	112.6	N419 L421 A457 I458 T463	N419-L460 HydrophobicContact CB-CD2 4.37Å; L421-L460 WeakPolarHBondContact O-CD1 3.26Å; A457-L460 PolarHBondContact O-N 2.87Å; A457-L460 VanDerWaalsContact O-N 3.09Å; I458-L460 VanDerWaalsContact C-N 3.29Å; I458-L460 PolarHBondContact O-N 2.97Å; L460-T463 WeakPolarHBondContact O-CG2 3.48Å
461	L	94.6	Very high	93.7	Very high	1 Å²	1	34.1 Å²	34.1	1%	0.005	17%	0.169	C	C	.	.	H	α-helix	trans	-79.1	-28.2	179.4	-74.8	169	0	0	0	112.8	V359 I422 L451 P453 A457 I458 T463 L466 P468 F470	V359-L461 HydrophobicContact CG1-CD1 3.96Å; V359-L461 HydrophobicContact CG2-CD1 4.17Å; I422-L461 HydrophobicContact CB-CD2 4.27Å; I422-L461 HydrophobicContact CB-CG 4.38Å; I422-L461 HydrophobicContact CD1-CD1 4.48Å; I422-L461 HydrophobicContact CD1-CD2 3.92Å; I422-L461 HydrophobicContact CD1-CG 4.49Å; I422-L461 HydrophobicContact CG2-CD2 3.83Å; I422-L461 HydrophobicContact CG2-CG 4.29Å; L451-L461 HydrophobicContact CD1-CD1 4.47Å; L451-L461 HydrophobicContact CD1-CD2 4.05Å; P453-L461 HydrophobicContact CG-CD1 3.89Å; A457-L461 HydrophobicContact CB-CD1 4.13Å; A457-L461 WeakPolarHBondContact O-CB 3.43Å; A457-L461 WeakPolarHBondContact O-CG 3.46Å; A457-L461 PolarHBondContact O-N 3.1Å; I458-L461 PolarHBondContact O-N 3.41Å; L461-T463 PolarHBondContact O-N 2.89Å; L461-L466 HydrophobicContact CD2-CD1 3.89Å; L461-P468 WeakPolarHBondContact O-CD 3.38Å; L461-P468 VanDerWaalsContact O-CG 3.29Å; L461-P468 WeakPolarHBondContact O-CG 3.26Å; L461-F470 HydrophobicContact CB-CE1 4.31Å; L461-F470 HydrophobicContact CB-CZ 4.05Å
462	R	93.3	Very high	93.7	Very high	35 Å²	35	34 Å²	34	13%	0.132	17%	0.168	C	C	.	.			trans	-73.7	66.4	-175.3	-165.2	-175.5	178.2	76.6	-0.4	112.1	E343 I458 F470 P551 W554	E343-R462 IonicContact OE1-CZ 3.47Å; E343-R462 IonicContact OE1-NE 3.95Å; E343-R462 PolarHBondContact OE1-NE 2.93Å; E343-R462 IonicContact OE1-NH2 2.75Å; E343-R462 PolarHBondContact OE1-NH2 3.19Å; E343-R462 IonicContact OE2-CZ 3.79Å; E343-R462 IonicContact OE2-NH2 2.65Å; E343-R462 PolarHBondContact OE2-NH2 2.9Å; I458-R462 WeakPolarHBondContact O-CB 3.38Å; I458-R462 PolarHBondContact O-N 2.73Å; R462-F470 HydrophobicContact CB-CE2 4.38Å; R462-F470 HydrophobicContact CB-CZ 4.4Å; R462-F470 HydrophobicContact CG-CE2 4.46Å; R462-P551 VanDerWaalsContact NH2-CG 3.3Å; R462-W554 HydrophobicContact CG-CZ2 3.64Å
463	T	92.9	Very high	93.9	Very high	53 Å²	53	32 Å²	32	33%	0.325	16%	0.158	S	C	.	.			trans	-121.4	153	-179.9	67.8	0	0	0	0	111.4	L460 L461 E465 L466 K467	L460-T463 WeakPolarHBondContact O-CG2 3.48Å; L461-T463 PolarHBondContact O-N 2.89Å; T463-E465 PolarHBondContact O-N 2.79Å; T463-L466 PolarHBondContact O-N 3.48Å; T463-L466 PolarHBondContact OG1-N 2.8Å; T463-K467 PolarHBondContact O-N 2.85Å
464	G	92.7	Very high	94.1	Very high	22 Å²	22	35.6 Å²	35.6	23%	0.227	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-18.9	176.1	0	0	0	0	0	114.3	K467 W554	G464-K467 WeakPolarHBondContact O-CG 3.47Å; G464-K467 PolarHBondContact O-NZ 3Å; G464-W554 VanDerWaalsContact CA-CG 3.42Å
465	E	92.5	Very high	94.2	Very high	114 Å²	114	31.2 Å²	31.2	53%	0.533	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.7	-44.3	175.7	-173.4	178.7	-173.3	0	0	111.7	K440 T463	K440-E465 WeakPolarHBondContact CD-OE1 3.3Å; K440-E465 WeakPolarHBondContact CE-OE1 3.48Å; K440-E465 WeakPolarHBondContact CE-OE2 3.35Å; K440-E465 IonicContact NZ-OE1 3.91Å; K440-E465 PolarHBondContact NZ-OE1 2.83Å; K440-E465 IonicContact NZ-OE2 3.47Å; K440-E465 PolarHBondContact NZ-OE2 2.87Å; T463-E465 PolarHBondContact O-N 2.79Å
466	L	94.7	Very high	94.4	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-33.6	-177.8	-61.7	178.9	0	0	0	112.3	P357 V436 V439 K440 M443 L461 T463 P468	P357-L466 WeakPolarHBondContact CD-O 3.14Å; V436-L466 HydrophobicContact CG2-CD1 3.9Å; V436-L466 HydrophobicContact CG2-CD2 4.43Å; V439-L466 HydrophobicContact CB-CD2 4.47Å; V439-L466 HydrophobicContact CG1-CD2 4.02Å; K440-L466 HydrophobicContact CG-CD2 3.94Å; M443-L466 HydrophobicContact SD-CD2 3.79Å; L461-L466 HydrophobicContact CD2-CD1 3.89Å; T463-L466 PolarHBondContact O-N 3.48Å; T463-L466 PolarHBondContact OG1-N 2.8Å; L466-P468 VanDerWaalsContact C-N 3.32Å
467	K	95.2	Very high	94.6	Very high	26 Å²	26	30 Å²	30	11%	0.113	15%	0.153	C	C	.	.			trans	44.2	52.7	-173.7	-57.4	-176.7	161.3	66.8	0	111.9	Y348 R356 T463 G464 W554	Y348-K467 HydrophobicContact CD2-CD 4.28Å; Y348-K467 HydrophobicContact CE1-CD 4.44Å; Y348-K467 HydrophobicContact CE2-CD 3.9Å; R356-K467 WeakPolarHBondContact CB-O 3.47Å; R356-K467 HydrophobicContact CG-CB 4.29Å; R356-K467 WeakPolarHBondContact CG-O 3.27Å; R356-K467 PolarHBondContact NE-O 3.35Å; R356-K467 PolarHBondContact NH2-O 3.44Å; T463-K467 PolarHBondContact O-N 2.85Å; G464-K467 WeakPolarHBondContact O-CG 3.47Å; G464-K467 PolarHBondContact O-NZ 3Å; K467-W554 HydrophobicContact CB-CE3 3.81Å; K467-W554 HydrophobicContact CB-CZ3 3.95Å; K467-W554 HydrophobicContact CG-CD2 4.44Å; K467-W554 HydrophobicContact CG-CE3 3.75Å; K467-W554 HydrophobicContact CG-CZ3 4.4Å; K467-W554 PolarHBondContact NZ-O 3.32Å
468	P	96.6	Very high	94.6	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.164	C	C	.	.			trans	-59.7	157.8	-174	30.8	-39.6	0	0	0	111.6	R356 V359 L461 L466 F470 W554	R356-P468 PolarHBondContact NH2-O 2.88Å; V359-P468 HydrophobicContact CG2-CB 3.86Å; L461-P468 WeakPolarHBondContact O-CD 3.38Å; L461-P468 VanDerWaalsContact O-CG 3.29Å; L461-P468 WeakPolarHBondContact O-CG 3.26Å; L466-P468 VanDerWaalsContact C-N 3.32Å; P468-F470 HydrophobicContact CB-CE1 4.46Å; P468-F470 HydrophobicContact CB-CE2 3.98Å; P468-F470 HydrophobicContact CB-CZ 3.95Å; P468-F470 HydrophobicContact CG-CD2 4.25Å; P468-F470 HydrophobicContact CG-CE1 4.47Å; P468-F470 HydrophobicContact CG-CE2 3.39Å; P468-F470 HydrophobicContact CG-CZ 3.53Å; P468-W554 HydrophobicContact CG-CH2 4.4Å
469	Y	97	Very high	94.7	Very high	22 Å²	22	37.1 Å²	37.1	9%	0.086	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	112.6	168	-167	-97.1	0	0	0	109	P357 I358 V359 V471 D521 I539 L543	P357-Y469 PolarHBondContact O-N 2.73Å; I358-Y469 HydrophobicContact CD1-CD1 4.34Å; V359-Y469 PolarHBondContact N-O 2.81Å; Y469-V471 HydrophobicContact CD1-CG2 3.8Å; Y469-V471 HydrophobicContact CE1-CG2 3.98Å; Y469-D521 WeakPolarHBondContact CA-OD2 3.41Å; Y469-D521 HydrophobicContact CD1-CB 4.35Å; Y469-D521 HydrophobicContact CD2-CB 3.62Å; Y469-D521 HydrophobicContact CE1-CB 4.07Å; Y469-D521 HydrophobicContact CE2-CB 3.3Å; Y469-D521 HydrophobicContact CG-CB 4.16Å; Y469-I539 HydrophobicContact CD1-CG2 4Å; Y469-I539 HydrophobicContact CE1-CG2 3.44Å; Y469-I539 VanDerWaalsContact CE1-CG2 3.44Å; Y469-L543 HydrophobicContact CD1-CD1 3.75Å; Y469-L543 HydrophobicContact CD1-CD2 4.46Å; Y469-L543 HydrophobicContact CD2-CD1 4.14Å; Y469-L543 HydrophobicContact CD2-CD2 3.45Å; Y469-L543 VanDerWaalsContact CD2-CD2 3.45Å; Y469-L543 HydrophobicContact CD2-CG 4.38Å; Y469-L543 HydrophobicContact CE1-CD1 4.25Å; Y469-L543 HydrophobicContact CE2-CD2 3.63Å; Y469-L543 HydrophobicContact CG-CD1 3.67Å; Y469-L543 HydrophobicContact CG-CD2 3.88Å; Y469-L543 HydrophobicContact CG-CG 4.39Å
470	F	97	Very high	94.9	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	115.7	-173.9	-65.9	-79.4	0	0	0	110.7	V359 I361 I458 L461 R462 P468 F519 F520 D521 Y522	V359-F470 HydrophobicContact CB-CD1 3.64Å; V359-F470 HydrophobicContact CB-CE1 3.95Å; V359-F470 HydrophobicContact CB-CG 4.5Å; V359-F470 HydrophobicContact CG1-CD1 3.76Å; V359-F470 HydrophobicContact CG1-CE1 3.84Å; V359-F470 HydrophobicContact CG2-CD1 4.23Å; V359-F470 HydrophobicContact CG2-CE1 4.11Å; I361-F470 HydrophobicContact CG1-CD1 4.32Å; I458-F470 HydrophobicContact CB-CE1 4.15Å; I458-F470 HydrophobicContact CB-CZ 4.35Å; I458-F470 HydrophobicContact CG1-CD1 4.04Å; I458-F470 HydrophobicContact CG1-CE1 3.73Å; I458-F470 HydrophobicContact CG1-CZ 4.4Å; I458-F470 HydrophobicContact CG2-CE1 4.12Å; I458-F470 HydrophobicContact CG2-CE2 4.37Å; I458-F470 HydrophobicContact CG2-CZ 3.93Å; L461-F470 HydrophobicContact CB-CE1 4.31Å; L461-F470 HydrophobicContact CB-CZ 4.05Å; R462-F470 HydrophobicContact CB-CE2 4.38Å; R462-F470 HydrophobicContact CB-CZ 4.4Å; R462-F470 HydrophobicContact CG-CE2 4.46Å; P468-F470 HydrophobicContact CB-CE1 4.46Å; P468-F470 HydrophobicContact CB-CE2 3.98Å; P468-F470 HydrophobicContact CB-CZ 3.95Å; P468-F470 HydrophobicContact CG-CD2 4.25Å; P468-F470 HydrophobicContact CG-CE1 4.47Å; P468-F470 HydrophobicContact CG-CE2 3.39Å; P468-F470 HydrophobicContact CG-CZ 3.53Å; F470-F519 WeakPolarHBondContact CD2-O 3.48Å; F470-F520 HydrophobicContact CB-CD1 4.4Å; F470-D521 PolarHBondContact N-OD2 2.87Å; F470-D521 PolarHBondContact O-N 2.85Å; F470-Y522 PolarHBondContact O-N 3.11Å
471	V	97.9	Very high	94.9	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	114.1	174.9	-176.3	0	0	0	0	108.8	I358 V359 L360 I361 Y469 Y522 L524 L536	I358-V471 HydrophobicContact CG2-CG2 4.16Å; V359-V471 PolarHBondContact O-N 3.41Å; L360-V471 WeakPolarHBondContact CA-O 3.44Å; L360-V471 HydrophobicContact CD2-CB 3.92Å; L360-V471 HydrophobicContact CD2-CG1 4.34Å; L360-V471 HydrophobicContact CD2-CG2 4.5Å; I361-V471 PolarHBondContact N-O 3.1Å; Y469-V471 HydrophobicContact CD1-CG2 3.8Å; Y469-V471 HydrophobicContact CE1-CG2 3.98Å; V471-Y522 WeakPolarHBondContact CA-O 3.43Å; V471-Y522 HydrophobicContact CG1-CD1 4.25Å; V471-L524 HydrophobicContact CG1-CB 3.76Å; V471-L524 HydrophobicContact CG1-CD2 4.31Å; V471-L536 HydrophobicContact CG1-CD2 4.05Å; V471-L536 HydrophobicContact CG2-CD2 4.37Å
472	Y	97.8	Very high	94.8	Very high	1 Å²	1	35.2 Å²	35.2	0%	0.004	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	116.7	172.8	175.5	-123.4	0	0	0	110.5	I361 R474 G509 L512 E513 F520 Y522 V523 L524	I361-Y472 CarbonylContact O-C 3.53Å; I361-Y472 WeakPolarHBondContact O-CA 3.32Å; I361-Y472 WeakPolarHBondContact O-CD2 3.49Å; Y472-R474 HydrophobicContact CD1-CB 4.14Å; Y472-R474 HydrophobicContact CE1-CB 3.69Å; Y472-R474 HydrophobicContact CE1-CG 3.84Å; Y472-R474 PolarHBondContact O-N 2.65Å; Y472-G509 WeakPolarHBondContact OH-CA 3.3Å; Y472-G509 PolarHBondContact OH-O 3.11Å; Y472-L512 HydrophobicContact CE2-CB 4.41Å; Y472-E513 HydrophobicContact CE1-CB 4.13Å; Y472-E513 HydrophobicContact CE1-CG 4.29Å; Y472-E513 WeakPolarHBondContact CE1-OE2 3.4Å; Y472-F520 AromaticContact CD1-CD2 3.99Å; Y472-F520 HydrophobicContact CD1-CD2 3.99Å; Y472-F520 AromaticContact CD1-CE2 3.91Å; Y472-F520 HydrophobicContact CD1-CE2 3.91Å; Y472-F520 HydrophobicContact CD2-CD2 4.24Å; Y472-F520 AromaticContact CD2-CE2 3.6Å; Y472-F520 HydrophobicContact CD2-CE2 3.6Å; Y472-F520 AromaticContact CD2-CZ 3.78Å; Y472-F520 HydrophobicContact CD2-CZ 3.78Å; Y472-F520 HydrophobicContact CE2-CE2 4.27Å; Y472-F520 HydrophobicContact CE2-CZ 4.5Å; Y472-F520 AromaticContact CG-CD2 3.61Å; Y472-F520 HydrophobicContact CG-CD2 3.61Å; Y472-F520 AromaticContact CG-CE2 3.42Å; Y472-F520 HydrophobicContact CG-CE2 3.42Å; Y472-F520 VanDerWaalsContact CG-CE2 3.42Å; Y472-F520 HydrophobicContact CG-CG 4.31Å; Y472-F520 HydrophobicContact CG-CZ 4.01Å; Y472-Y522 PolarHBondContact N-O 3.4Å; Y472-V523 HydrophobicContact CD1-CB 4.46Å; Y472-V523 HydrophobicContact CD1-CG1 3.58Å; Y472-V523 HydrophobicContact CD1-CG2 4.19Å; Y472-V523 HydrophobicContact CE1-CG1 4.27Å; Y472-V523 HydrophobicContact CG-CG1 4.47Å; Y472-V523 CarbonylContact O-C 3.56Å; Y472-V523 WeakPolarHBondContact O-CA 3.45Å; Y472-L524 PolarHBondContact O-N 3.28Å
473	V	98	Very high	94.7	Very high	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	95.1	177.3	-172	0	0	0	0	108.3	L360 I361 V366 R368 L371 L524 N526	L360-V473 HydrophobicContact CB-CG2 4.29Å; L360-V473 HydrophobicContact CD2-CG2 4.45Å; I361-V473 PolarHBondContact O-N 3.31Å; V366-V473 HydrophobicContact CG1-CB 4.16Å; V366-V473 HydrophobicContact CG1-CG1 3.92Å; V366-V473 HydrophobicContact CG2-CG1 4.1Å; R368-V473 HydrophobicContact CG-CB 4.21Å; R368-V473 HydrophobicContact CG-CG2 4.13Å; L371-V473 HydrophobicContact CD1-CG1 3.77Å; L371-V473 HydrophobicContact CD1-CG2 4.09Å; V473-L524 CarbonylContact C-O 3.53Å; V473-L524 WeakPolarHBondContact CA-O 3.35Å; V473-L524 HydrophobicContact CG2-CD2 4.44Å; V473-N526 HydrophobicContact CG1-CB 3.78Å
474	R	97.5	Very high	94.4	Very high	76 Å²	76	36 Å²	36	29%	0.287	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	135	-178.9	-167	-175.2	-74.4	128.4	-7.7	110.4	Y472 E513 V523 L524 V525 N526	Y472-R474 HydrophobicContact CD1-CB 4.14Å; Y472-R474 HydrophobicContact CE1-CB 3.69Å; Y472-R474 HydrophobicContact CE1-CG 3.84Å; Y472-R474 PolarHBondContact O-N 2.65Å; R474-E513 IonicContact CZ-OE1 2.69Å; R474-E513 IonicContact CZ-OE2 3.6Å; R474-E513 IonicContact NE-OE1 3.44Å; R474-E513 IonicContact NE-OE2 3.77Å; R474-E513 PolarHBondContact NE-OE2 3.35Å; R474-E513 IonicContact NH2-OE1 3.66Å; R474-E513 PolarHBondContact NH2-OE1 3.4Å; R474-E513 IonicContact NH2-OE2 2.64Å; R474-E513 PolarHBondContact NH2-OE2 3.44Å; R474-V523 HydrophobicContact CB-CG1 3.88Å; R474-L524 PolarHBondContact N-O 3.14Å; R474-V525 HydrophobicContact CB-CG2 4.42Å; R474-N526 PolarHBondContact O-N 2.79Å
475	P	95.8	Very high	94.2	Very high	12 Å²	12	36.1 Å²	36.1	8%	0.078	20%	0.196	C	C	.	.	P	Polyproline II helix	trans	-65.1	140.1	169.5	26.4	-32.1	0	0	0	110.4	P363 V366 L481 M505 I506	P363-P475 HydrophobicContact CG-CG 4.1Å; V366-P475 HydrophobicContact CG2-CB 4.07Å; P475-L481 HydrophobicContact CB-CD2 4.44Å; P475-M505 HydrophobicContact CB-CG 4.33Å; P475-M505 HydrophobicContact CB-SD 4.22Å; P475-I506 HydrophobicContact CB-CG1 4.29Å; P475-I506 HydrophobicContact CG-CG1 4.28Å
476	P	95.4	Very high	93.9	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.006	18%	0.183	C	C	.	.	P	Polyproline II helix	trans	-67	166.1	171.7	31.1	-36.9	0	0	0	110.9	T480 L481 V525 N526	P476-T480 HydrophobicContact CB-CG2 3.91Å; P476-T480 HydrophobicContact CG-CG2 4.33Å; P476-L481 HydrophobicContact CG-CB 3.95Å; P476-L481 HydrophobicContact CG-CD1 4.11Å; P476-V525 HydrophobicContact CB-CG1 4.16Å; P476-N526 WeakPolarHBondContact CD-O 3.47Å
477	P	94.1	Very high	93.4	Very high	87 Å²	87	34.5 Å²	34.5	57%	0.565	20%	0.195	S	C	*	.	P	Polyproline II helix	trans	-54	150.1	175.4	-25.6	34.9	0	0	0	112.4	P479 T480 L481	P477-P479 VanDerWaalsContact C-CD 3.44Å; P477-P479 VanDerWaalsContact O-N 3.14Å; P477-T480 WeakPolarHBondContact O-CB 3.33Å; P477-T480 PolarHBondContact O-N 2.84Å; P477-L481 PolarHBondContact O-N 2.85Å
478	F	93.6	Very high	92.8	Very high	61 Å²	61	35.1 Å²	35.1	27%	0.268	20%	0.198	S	C	.	.	H	α-helix	trans	-45.8	-47.5	-173.2	178.9	-88.8	0	0	0	115	T480 L481 K482 N499 F502 E503 I506	F478-T480 VanDerWaalsContact C-N 3.34Å; F478-T480 PolarHBondContact O-N 2.79Å; F478-L481 PolarHBondContact O-N 3.05Å; F478-K482 HydrophobicContact CE1-CD 4.15Å; F478-K482 HydrophobicContact CZ-CD 4.24Å; F478-K482 WeakPolarHBondContact O-CB 3.37Å; F478-K482 PolarHBondContact O-N 2.63Å; F478-N499 HydrophobicContact CE2-CB 4.44Å; F478-N499 HydrophobicContact CZ-CB 4.14Å; F478-F502 HydrophobicContact CD2-CB 3.99Å; F478-F502 HydrophobicContact CE2-CB 3.82Å; F478-E503 HydrophobicContact CD2-CG 3.95Å; F478-E503 HydrophobicContact CE2-CG 3.76Å; F478-I506 HydrophobicContact CB-CD1 3.75Å; F478-I506 HydrophobicContact CD2-CD1 4.31Å
479	P	93	Very high	92.1	Very high	93 Å²	93	35.8 Å²	35.8	60%	0.604	20%	0.204	S	C	*	.	H	α-helix	trans	-61.6	-41.7	-180	-22.1	34.2	0	0	0	112.8	P477 A483	P477-P479 VanDerWaalsContact C-CD 3.44Å; P477-P479 VanDerWaalsContact O-N 3.14Å; P479-A483 WeakPolarHBondContact O-CB 3.26Å; P479-A483 PolarHBondContact O-N 2.81Å
480	T	92.7	Very high	91.4	Very high	56 Å²	56	41.9 Å²	41.9	34%	0.344	23%	0.233	S	C	.	.	H	α-helix	trans	-69.9	-43	178.7	-53.7	0	0	0	0	111.1	P476 P477 F478 A483 T484	P476-T480 HydrophobicContact CB-CG2 3.91Å; P476-T480 HydrophobicContact CG-CG2 4.33Å; P477-T480 WeakPolarHBondContact O-CB 3.33Å; P477-T480 PolarHBondContact O-N 2.84Å; F478-T480 VanDerWaalsContact C-N 3.34Å; F478-T480 PolarHBondContact O-N 2.79Å; T480-A483 PolarHBondContact O-N 2.82Å; T480-T484 HydrophobicContact CG2-CG2 4.23Å; T480-T484 WeakPolarHBondContact O-CB 3.4Å; T480-T484 WeakPolarHBondContact O-CG2 3.3Å; T480-T484 PolarHBondContact O-N 3.35Å; T480-T484 PolarHBondContact O-OG1 3.41Å
481	L	91.3	Very high	90.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.2	-50.6	177.1	-177.1	58.6	0	0	0	110.8	P475 P476 P477 F478 T484 R485 F502 M505 I506	P475-L481 HydrophobicContact CB-CD2 4.44Å; P476-L481 HydrophobicContact CG-CB 3.95Å; P476-L481 HydrophobicContact CG-CD1 4.11Å; P477-L481 PolarHBondContact O-N 2.85Å; F478-L481 PolarHBondContact O-N 3.05Å; L481-T484 PolarHBondContact O-N 2.84Å; L481-T484 PolarHBondContact O-OG1 3.41Å; L481-T484 VanDerWaalsContact O-OG1 3.05Å; L481-R485 HydrophobicContact CD1-CG 3.77Å; L481-R485 HydrophobicContact CG-CG 4.45Å; L481-R485 WeakPolarHBondContact O-CB 3.29Å; L481-R485 VanDerWaalsContact O-CG 3.22Å; L481-R485 WeakPolarHBondContact O-CG 3.4Å; L481-R485 PolarHBondContact O-N 3.41Å; L481-F502 HydrophobicContact CD1-CD1 4.45Å; L481-F502 HydrophobicContact CD2-CB 3.99Å; L481-F502 HydrophobicContact CD2-CD1 3.77Å; L481-F502 HydrophobicContact CD2-CG 4.22Å; L481-F502 HydrophobicContact CG-CD1 3.67Å; L481-F502 HydrophobicContact CG-CE1 4.2Å; L481-F502 HydrophobicContact CG-CG 4.29Å; L481-M505 HydrophobicContact CD1-SD 4.16Å; L481-M505 HydrophobicContact CD2-SD 3.96Å; L481-I506 HydrophobicContact CD2-CD1 4.2Å; L481-I506 HydrophobicContact CD2-CG1 4.12Å
482	K	91.6	Very high	89.6	Confident	79 Å²	79	53.9 Å²	53.9	34%	0.343	30%	0.299	S	S	.	.	H	α-helix	trans	-60	-50.1	178.6	-179.3	171.8	178.1	167.4	0	111.8	F478 T484 T486 N499 F502	F478-K482 HydrophobicContact CE1-CD 4.15Å; F478-K482 HydrophobicContact CZ-CD 4.24Å; F478-K482 WeakPolarHBondContact O-CB 3.37Å; F478-K482 PolarHBondContact O-N 2.63Å; K482-T484 PolarHBondContact O-N 2.89Å; K482-T486 VanDerWaalsContact O-CB 3.24Å; K482-T486 WeakPolarHBondContact O-CB 3.46Å; K482-T486 PolarHBondContact O-N 3.21Å; K482-T486 PolarHBondContact O-OG1 3.04Å; K482-N499 VanDerWaalsContact CE-OD1 3.27Å; K482-N499 WeakPolarHBondContact CE-OD1 2.89Å; K482-N499 PolarHBondContact NZ-OD1 2.95Å; K482-F502 HydrophobicContact CB-CD2 4.12Å; K482-F502 HydrophobicContact CB-CE2 4.06Å; K482-F502 HydrophobicContact CG-CD2 4.31Å; K482-F502 HydrophobicContact CG-CE2 3.98Å
483	A	90.9	Very high	88.3	Confident	64 Å²	64	59.9 Å²	59.9	53%	0.529	33%	0.331	S	S	.	.	H	α-helix	trans	-59.7	-45.3	-178.7	0	0	0	0	0	112.4	P479 T480 S487	P479-A483 WeakPolarHBondContact O-CB 3.26Å; P479-A483 PolarHBondContact O-N 2.81Å; T480-A483 PolarHBondContact O-N 2.82Å; A483-S487 WeakPolarHBondContact O-CB 3.35Å; A483-S487 PolarHBondContact O-N 3.19Å; A483-S487 VanDerWaalsContact O-N 3.12Å
484	T	87.7	Confident	87.1	Confident	39 Å²	39	61.8 Å²	61.8	24%	0.239	35%	0.35	C	S	.	.	H	α-helix	trans	-71.4	-42.1	-175.6	55.7	0	0	0	0	112.2	T480 L481 K482 Q488 S527	T480-T484 HydrophobicContact CG2-CG2 4.23Å; T480-T484 WeakPolarHBondContact O-CB 3.4Å; T480-T484 WeakPolarHBondContact O-CG2 3.3Å; T480-T484 PolarHBondContact O-N 3.35Å; T480-T484 PolarHBondContact O-OG1 3.41Å; L481-T484 PolarHBondContact O-N 2.84Å; L481-T484 PolarHBondContact O-OG1 3.41Å; L481-T484 VanDerWaalsContact O-OG1 3.05Å; K482-T484 PolarHBondContact O-N 2.89Å; T484-Q488 WeakPolarHBondContact O-CG 3.47Å; T484-Q488 PolarHBondContact O-N 2.79Å; T484-Q488 VanDerWaalsContact O-N 3.08Å; T484-S527 WeakPolarHBondContact CG2-O 3.4Å
485	R	87.1	Confident	86	Confident	26 Å²	26	62 Å²	62	10%	0.098	37%	0.368	C	S	.	.	H	α-helix	trans	-75.2	-39	-179.4	-59.6	-58.7	175.7	-173.5	-0.7	112.8	V366 L481 Q488 A489 F502 N526	V366-R485 PolarHBondContact O-NH2 2.86Å; L481-R485 HydrophobicContact CD1-CG 3.77Å; L481-R485 HydrophobicContact CG-CG 4.45Å; L481-R485 WeakPolarHBondContact O-CB 3.29Å; L481-R485 VanDerWaalsContact O-CG 3.22Å; L481-R485 WeakPolarHBondContact O-CG 3.4Å; L481-R485 PolarHBondContact O-N 3.41Å; R485-Q488 PolarHBondContact O-N 3.37Å; R485-A489 WeakPolarHBondContact O-CB 3.37Å; R485-A489 PolarHBondContact O-N 3.38Å; R485-F502 HydrophobicContact CB-CE1 3.69Å; R485-F502 HydrophobicContact CB-CZ 3.8Å; R485-F502 HydrophobicContact CG-CE1 3.88Å; R485-F502 HydrophobicContact CG-CZ 4.48Å; R485-N526 PolarHBondContact NH2-ND2 3.07Å
486	T	86.3	Confident	85.2	Confident	43 Å²	43	68.3 Å²	68.3	26%	0.264	40%	0.401	S	S	.	.	H	α-helix	trans	-62	-44.4	173.1	-58.8	0	0	0	0	110.7	K482 Q488 A489 E490	K482-T486 VanDerWaalsContact O-CB 3.24Å; K482-T486 WeakPolarHBondContact O-CB 3.46Å; K482-T486 PolarHBondContact O-N 3.21Å; K482-T486 PolarHBondContact O-OG1 3.04Å; T486-Q488 VanDerWaalsContact C-N 3.29Å; T486-Q488 PolarHBondContact O-N 3.44Å; T486-A489 PolarHBondContact O-N 3.49Å; T486-A489 VanDerWaalsContact O-N 3.16Å; T486-E490 HydrophobicContact CG2-CG 4.36Å; T486-E490 WeakPolarHBondContact O-CB 3.38Å; T486-E490 VanDerWaalsContact O-CG 3.32Å; T486-E490 WeakPolarHBondContact O-CG 3.06Å; T486-E490 PolarHBondContact O-N 2.79Å
487	S	84.7	Confident	84.7	Confident	38 Å²	38	71.2 Å²	71.2	27%	0.266	42%	0.415	S	S	.	.	H	α-helix	trans	-62.9	-35.1	176.1	-167.8	0	0	0	0	112.7	A483 R491	A483-S487 WeakPolarHBondContact O-CB 3.35Å; A483-S487 PolarHBondContact O-N 3.19Å; A483-S487 VanDerWaalsContact O-N 3.12Å; S487-R491 WeakPolarHBondContact O-CD 3.49Å; S487-R491 VanDerWaalsContact O-CG 3.23Å; S487-R491 WeakPolarHBondContact O-CG 3.48Å; S487-R491 PolarHBondContact O-N 3.1Å
488	Q	82.5	Confident	84.5	Confident	39 Å²	39	69.2 Å²	69.2	18%	0.182	40%	0.403	C	S	.	.	H	α-helix	trans	-67.4	-42.2	173.8	-76.1	-180	-25.7	0	0	112.1	T484 R485 T486 R491 G492 N493 G494	T484-Q488 WeakPolarHBondContact O-CG 3.47Å; T484-Q488 PolarHBondContact O-N 2.79Å; T484-Q488 VanDerWaalsContact O-N 3.08Å; R485-Q488 PolarHBondContact O-N 3.37Å; T486-Q488 VanDerWaalsContact C-N 3.29Å; T486-Q488 PolarHBondContact O-N 3.44Å; Q488-R491 PolarHBondContact O-N 3.12Å; Q488-G492 PolarHBondContact O-N 3.01Å; Q488-N493 WeakPolarHBondContact O-CA 3.4Å; Q488-N493 PolarHBondContact O-N 3.21Å; Q488-G494 PolarHBondContact O-N 2.87Å
489	A	82.5	Confident	84.3	Confident	15 Å²	15	69.4 Å²	69.4	12%	0.124	41%	0.407	C	S	.	.	H	α-helix	trans	-65.6	-42.4	177.8	0	0	0	0	0	112	R485 T486 R491 G492 G494 L496	R485-A489 WeakPolarHBondContact O-CB 3.37Å; R485-A489 PolarHBondContact O-N 3.38Å; T486-A489 PolarHBondContact O-N 3.49Å; T486-A489 VanDerWaalsContact O-N 3.16Å; A489-R491 PolarHBondContact O-N 3.14Å; A489-G492 WeakPolarHBondContact O-CA 3.31Å; A489-G492 PolarHBondContact O-N 2.84Å; A489-G494 WeakPolarHBondContact CA-O 3.31Å; A489-L496 HydrophobicContact CB-CD2 3.91Å; A489-L496 HydrophobicContact CB-CG 4.08Å
490	E	81.4	Confident	84.3	Confident	150 Å²	150	71.1 Å²	71.1	70%	0.701	41%	0.407	S	S	*	.	H	α-helix	trans	-61.1	-31.4	174.9	-73.4	172.3	172.4	0	0	112.7	T486 G492	T486-E490 HydrophobicContact CG2-CG 4.36Å; T486-E490 WeakPolarHBondContact O-CB 3.38Å; T486-E490 VanDerWaalsContact O-CG 3.32Å; T486-E490 WeakPolarHBondContact O-CG 3.06Å; T486-E490 PolarHBondContact O-N 2.79Å; E490-G492 PolarHBondContact O-N 3.1Å
491	R	81.1	Confident	84.3	Confident	187 Å²	187	71.5 Å²	71.5	71%	0.706	41%	0.407	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.9	4.5	174.3	-66.8	172.1	-171.2	-172.6	4	113.4	S487 Q488 A489 N493	S487-R491 WeakPolarHBondContact O-CD 3.49Å; S487-R491 VanDerWaalsContact O-CG 3.23Å; S487-R491 WeakPolarHBondContact O-CG 3.48Å; S487-R491 PolarHBondContact O-N 3.1Å; Q488-R491 PolarHBondContact O-N 3.12Å; A489-R491 PolarHBondContact O-N 3.14Å; R491-N493 VanDerWaalsContact C-N 3.26Å; R491-N493 PolarHBondContact O-N 2.59Å
492	G	75.9	Confident	84.3	Confident	65 Å²	65	71.6 Å²	71.6	67%	0.67	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.5	11.7	-177.7	0	0	0	0	0	114.8	Q488 A489 E490	Q488-G492 PolarHBondContact O-N 3.01Å; A489-G492 WeakPolarHBondContact O-CA 3.31Å; A489-G492 PolarHBondContact O-N 2.84Å; E490-G492 PolarHBondContact O-N 3.1Å
493	N	72.1	Confident	84.5	Confident	126 Å²	126	73.3 Å²	73.3	67%	0.674	42%	0.417	S	S	*	.	S	Bend	trans	-102.5	13	-175	-69.8	-34.2	0	0	0	113.5	Q488 R491	Q488-N493 WeakPolarHBondContact O-CA 3.4Å; Q488-N493 PolarHBondContact O-N 3.21Å; R491-N493 VanDerWaalsContact C-N 3.26Å; R491-N493 PolarHBondContact O-N 2.59Å
494	G	71.1	Confident	84.7	Confident	40 Å²	40	75.7 Å²	75.7	41%	0.412	42%	0.417	S	S	.	.	S	Bend	trans	-165.9	163.6	-179.3	0	0	0	0	0	112.7	Q488 A489	Q488-G494 PolarHBondContact O-N 2.87Å; A489-G494 WeakPolarHBondContact CA-O 3.31Å
495	A	76.2	Confident	85	Confident	80 Å²	80	74 Å²	74	66%	0.661	41%	0.406	S	S	*	.			trans	-77.5	143.1	171.2	0	0	0	0	0	110.2	M497	A495-M497 PolarHBondContact O-N 2.89Å
496	L	79.1	Confident	85.4	Confident	146 Å²	146	74.2 Å²	74.2	76%	0.764	41%	0.409	S	S	*	.			trans	-65.9	123.5	165.9	-76.6	162.2	0	0	0	108.3	A489	A489-L496 HydrophobicContact CB-CD2 3.91Å; A489-L496 HydrophobicContact CB-CG 4.08Å
497	M	83.3	Confident	85.9	Confident	61 Å²	61	77.4 Å²	77.4	30%	0.3	42%	0.421	S	S	.	.			trans	-111.7	145.6	178	-62	-177.5	67.3	0	0	109.1	A495 D501 F502 M505	A495-M497 PolarHBondContact O-N 2.89Å; M497-D501 HydrophobicContact CB-CB 4.17Å; M497-D501 HydrophobicContact CE-CB 3.72Å; M497-F502 HydrophobicContact CB-CD1 4.4Å; M497-F502 HydrophobicContact CB-CE1 3.74Å; M497-F502 HydrophobicContact CB-CE2 4.35Å; M497-F502 HydrophobicContact CB-CZ 3.72Å; M497-F502 HydrophobicContact CE-CD1 4.47Å; M497-F502 HydrophobicContact CE-CE1 4.45Å; M497-F502 HydrophobicContact CG-CE1 4.35Å; M497-F502 HydrophobicContact SD-CE1 3.94Å; M497-M505 HydrophobicContact CE-CE 3.58Å; M497-M505 HydrophobicContact SD-CE 4.23Å
498	S	89.6	Confident	86.4	Confident	46 Å²	46	78.6 Å²	78.6	32%	0.322	42%	0.422	S	S	.	.			trans	-74.4	167.3	174.7	67.1	0	0	0	0	111.4	E500 D501 F502	S498-E500 WeakPolarHBondContact CB-OE2 3.22Å; S498-E500 PolarHBondContact O-N 2.88Å; S498-D501 WeakPolarHBondContact CB-OD2 3.34Å; S498-D501 PolarHBondContact N-OD2 2.82Å; S498-D501 PolarHBondContact O-N 3.44Å; S498-D501 PolarHBondContact OG-N 2.86Å; S498-D501 VanDerWaalsContact OG-N 3.09Å; S498-D501 PolarHBondContact OG-OD2 2.9Å; S498-F502 VanDerWaalsContact O-CD2 3.24Å; S498-F502 WeakPolarHBondContact O-CD2 3.1Å; S498-F502 PolarHBondContact O-N 2.98Å
499	N	90.8	Very high	87	Confident	64 Å²	64	76.8 Å²	76.8	34%	0.342	41%	0.414	S	S	.	.	H	α-helix	trans	-65.5	-36.7	173.9	-67.7	-33.3	0	0	0	110.5	F478 K482 D501 F502 E503	F478-N499 HydrophobicContact CE2-CB 4.44Å; F478-N499 HydrophobicContact CZ-CB 4.14Å; K482-N499 VanDerWaalsContact CE-OD1 3.27Å; K482-N499 WeakPolarHBondContact CE-OD1 2.89Å; K482-N499 PolarHBondContact NZ-OD1 2.95Å; N499-D501 VanDerWaalsContact C-N 3.31Å; N499-D501 PolarHBondContact O-N 3.01Å; N499-F502 WeakPolarHBondContact O-CB 3.24Å; N499-F502 PolarHBondContact O-N 2.92Å; N499-F502 VanDerWaalsContact O-N 3.14Å; N499-E503 PolarHBondContact O-N 2.62Å
500	E	92.5	Very high	87.7	Confident	129 Å²	129	81.5 Å²	81.5	60%	0.603	43%	0.432	S	S	*	.	H	α-helix	trans	-60.1	-40.7	176.7	-64.6	73.5	-165.9	0	0	111	S498 F502 E503 Q504	S498-E500 WeakPolarHBondContact CB-OE2 3.22Å; S498-E500 PolarHBondContact O-N 2.88Å; E500-F502 VanDerWaalsContact C-N 3.32Å; E500-F502 PolarHBondContact O-N 2.77Å; E500-E503 PolarHBondContact O-N 3.02Å; E500-Q504 WeakPolarHBondContact O-CB 3.29Å; E500-Q504 PolarHBondContact O-N 3.32Å
501	D	92	Very high	88.3	Confident	65 Å²	65	76.5 Å²	76.5	35%	0.348	42%	0.416	S	S	.	.	H	α-helix	trans	-63.9	-37.1	175.5	-62.2	-43.2	0	0	0	112.1	M497 S498 N499 M505	M497-D501 HydrophobicContact CB-CB 4.17Å; M497-D501 HydrophobicContact CE-CB 3.72Å; S498-D501 WeakPolarHBondContact CB-OD2 3.34Å; S498-D501 PolarHBondContact N-OD2 2.82Å; S498-D501 PolarHBondContact O-N 3.44Å; S498-D501 PolarHBondContact OG-N 2.86Å; S498-D501 VanDerWaalsContact OG-N 3.09Å; S498-D501 PolarHBondContact OG-OD2 2.9Å; N499-D501 VanDerWaalsContact C-N 3.31Å; N499-D501 PolarHBondContact O-N 3.01Å; D501-M505 WeakPolarHBondContact O-CB 3.38Å; D501-M505 PolarHBondContact O-N 2.93Å
502	F	92.9	Very high	88.9	Confident	2 Å²	2	68.9 Å²	68.9	1%	0.009	39%	0.389	C	S	.	.	H	α-helix	trans	-68.7	-42.8	176.9	-65.6	-46.4	0	0	0	112	F478 L481 K482 R485 M497 S498 N499 E500 M505 I506	F478-F502 HydrophobicContact CD2-CB 3.99Å; F478-F502 HydrophobicContact CE2-CB 3.82Å; L481-F502 HydrophobicContact CD1-CD1 4.45Å; L481-F502 HydrophobicContact CD2-CB 3.99Å; L481-F502 HydrophobicContact CD2-CD1 3.77Å; L481-F502 HydrophobicContact CD2-CG 4.22Å; L481-F502 HydrophobicContact CG-CD1 3.67Å; L481-F502 HydrophobicContact CG-CE1 4.2Å; L481-F502 HydrophobicContact CG-CG 4.29Å; K482-F502 HydrophobicContact CB-CD2 4.12Å; K482-F502 HydrophobicContact CB-CE2 4.06Å; K482-F502 HydrophobicContact CG-CD2 4.31Å; K482-F502 HydrophobicContact CG-CE2 3.98Å; R485-F502 HydrophobicContact CB-CE1 3.69Å; R485-F502 HydrophobicContact CB-CZ 3.8Å; R485-F502 HydrophobicContact CG-CE1 3.88Å; R485-F502 HydrophobicContact CG-CZ 4.48Å; M497-F502 HydrophobicContact CB-CD1 4.4Å; M497-F502 HydrophobicContact CB-CE1 3.74Å; M497-F502 HydrophobicContact CB-CE2 4.35Å; M497-F502 HydrophobicContact CB-CZ 3.72Å; M497-F502 HydrophobicContact CE-CD1 4.47Å; M497-F502 HydrophobicContact CE-CE1 4.45Å; M497-F502 HydrophobicContact CG-CE1 4.35Å; M497-F502 HydrophobicContact SD-CE1 3.94Å; S498-F502 VanDerWaalsContact O-CD2 3.24Å; S498-F502 WeakPolarHBondContact O-CD2 3.1Å; S498-F502 PolarHBondContact O-N 2.98Å; N499-F502 WeakPolarHBondContact O-CB 3.24Å; N499-F502 PolarHBondContact O-N 2.92Å; N499-F502 VanDerWaalsContact O-N 3.14Å; E500-F502 VanDerWaalsContact C-N 3.32Å; E500-F502 PolarHBondContact O-N 2.77Å; F502-M505 PolarHBondContact O-N 2.95Å; F502-I506 WeakPolarHBondContact O-CG1 3.18Å; F502-I506 PolarHBondContact O-N 3.22Å; F502-I506 VanDerWaalsContact O-N 3.11Å
503	E	94.6	Very high	89.7	Confident	115 Å²	115	68.8 Å²	68.8	54%	0.537	37%	0.371	S	S	.	.	H	α-helix	trans	-63.7	-44.8	175.7	-71.2	176.3	-179	0	0	111.1	F478 N499 E500 M505 I506 E507	F478-E503 HydrophobicContact CD2-CG 3.95Å; F478-E503 HydrophobicContact CE2-CG 3.76Å; N499-E503 PolarHBondContact O-N 2.62Å; E500-E503 PolarHBondContact O-N 3.02Å; E503-M505 VanDerWaalsContact C-N 3.32Å; E503-M505 PolarHBondContact O-N 3.19Å; E503-I506 PolarHBondContact O-N 3.02Å; E503-E507 PolarHBondContact O-N 3.39Å
504	Q	94.6	Very high	90.5	Very high	113 Å²	113	67.3 Å²	67.3	53%	0.528	37%	0.367	S	S	.	.	H	α-helix	trans	-60.4	-41.2	176.4	-168.4	-176.1	32	0	0	111.6	E500 I506 E507 Q508	E500-Q504 WeakPolarHBondContact O-CB 3.29Å; E500-Q504 PolarHBondContact O-N 3.32Å; Q504-I506 PolarHBondContact O-N 2.99Å; Q504-E507 PolarHBondContact O-N 2.66Å; Q504-Q508 HydrophobicContact CG-CG 4.41Å; Q504-Q508 WeakPolarHBondContact O-CB 3.11Å; Q504-Q508 WeakPolarHBondContact O-CG 3.4Å; Q504-Q508 PolarHBondContact O-N 3.02Å
505	M	94.6	Very high	91.4	Very high	3 Å²	3	69.5 Å²	69.5	2%	0.015	37%	0.368	C	S	.	.	H	α-helix	trans	-61.7	-42.6	176.3	-175.3	-172.1	-55.9	0	0	112.1	P363 V366 P475 L481 M497 D501 F502 E503 G509	P363-M505 HydrophobicContact CB-CG 4.04Å; P363-M505 WeakPolarHBondContact CB-O 3.01Å; P363-M505 HydrophobicContact CG-CG 3.95Å; P363-M505 WeakPolarHBondContact CG-O 3.41Å; V366-M505 HydrophobicContact CB-SD 4.1Å; V366-M505 HydrophobicContact CG2-SD 4.29Å; P475-M505 HydrophobicContact CB-CG 4.33Å; P475-M505 HydrophobicContact CB-SD 4.22Å; L481-M505 HydrophobicContact CD1-SD 4.16Å; L481-M505 HydrophobicContact CD2-SD 3.96Å; M497-M505 HydrophobicContact CE-CE 3.58Å; M497-M505 HydrophobicContact SD-CE 4.23Å; D501-M505 WeakPolarHBondContact O-CB 3.38Å; D501-M505 PolarHBondContact O-N 2.93Å; F502-M505 PolarHBondContact O-N 2.95Å; E503-M505 VanDerWaalsContact C-N 3.32Å; E503-M505 PolarHBondContact O-N 3.19Å; M505-G509 PolarHBondContact O-N 3.38Å
506	I	96.1	Very high	92.1	Very high	32 Å²	32	66.7 Å²	66.7	16%	0.164	34%	0.341	C	S	.	.	H	α-helix	trans	-65.6	-44.3	178.4	-69.9	168.1	0	0	0	110.3	P475 F478 L481 F502 E503 Q504 G509 K510	P475-I506 HydrophobicContact CB-CG1 4.29Å; P475-I506 HydrophobicContact CG-CG1 4.28Å; F478-I506 HydrophobicContact CB-CD1 3.75Å; F478-I506 HydrophobicContact CD2-CD1 4.31Å; L481-I506 HydrophobicContact CD2-CD1 4.2Å; L481-I506 HydrophobicContact CD2-CG1 4.12Å; F502-I506 WeakPolarHBondContact O-CG1 3.18Å; F502-I506 PolarHBondContact O-N 3.22Å; F502-I506 VanDerWaalsContact O-N 3.11Å; E503-I506 PolarHBondContact O-N 3.02Å; Q504-I506 PolarHBondContact O-N 2.99Å; I506-G509 WeakPolarHBondContact O-CA 3.4Å; I506-G509 PolarHBondContact O-N 3.18Å; I506-K510 PolarHBondContact O-N 2.83Å
507	E	96	Very high	92.7	Very high	110 Å²	110	60.6 Å²	60.6	51%	0.514	31%	0.314	S	S	.	.	H	α-helix	trans	-66.8	-43.7	-179.8	-167.8	55.7	-150.1	0	0	112.1	E503 Q504 G509 K510 A511	E503-E507 PolarHBondContact O-N 3.39Å; Q504-E507 PolarHBondContact O-N 2.66Å; E507-G509 PolarHBondContact O-N 3.16Å; E507-K510 PolarHBondContact O-N 3.38Å; E507-K510 IonicContact OE2-NZ 3.06Å; E507-A511 PolarHBondContact O-N 3.02Å
508	Q	95.2	Very high	92.9	Very high	63 Å²	63	58 Å²	58	29%	0.294	30%	0.302	S	S	.	.	H	α-helix	trans	-57.2	-40.3	170.5	-74.6	175.3	3.6	0	0	111.6	P363 T364 Q504 A511 L512	P363-Q508 HydrophobicContact CB-CB 3.9Å; T364-Q508 PolarHBondContact OG1-OE1 3.41Å; T364-Q508 VanDerWaalsContact OG1-OE1 3.14Å; Q504-Q508 HydrophobicContact CG-CG 4.41Å; Q504-Q508 WeakPolarHBondContact O-CB 3.11Å; Q504-Q508 WeakPolarHBondContact O-CG 3.4Å; Q504-Q508 PolarHBondContact O-N 3.02Å; Q508-A511 PolarHBondContact O-N 3.37Å; Q508-L512 VanDerWaalsContact O-CG 3.29Å; Q508-L512 WeakPolarHBondContact O-CG 3.16Å; Q508-L512 PolarHBondContact O-N 3.1Å
509	G	96.2	Very high	93	Very high	1 Å²	1	56.6 Å²	56.6	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-58.4	-50.5	174.8	0	0	0	0	0	112.4	Y472 M505 I506 E507 A511 L512 E513	Y472-G509 WeakPolarHBondContact OH-CA 3.3Å; Y472-G509 PolarHBondContact OH-O 3.11Å; M505-G509 PolarHBondContact O-N 3.38Å; I506-G509 WeakPolarHBondContact O-CA 3.4Å; I506-G509 PolarHBondContact O-N 3.18Å; E507-G509 PolarHBondContact O-N 3.16Å; G509-A511 VanDerWaalsContact C-N 3.33Å; G509-A511 PolarHBondContact O-N 2.7Å; G509-L512 PolarHBondContact O-N 3.27Å; G509-E513 PolarHBondContact O-N 3.07Å
510	K	95.7	Very high	93.1	Very high	114 Å²	114	54.6 Å²	54.6	50%	0.496	28%	0.278	S	S	.	.	H	α-helix	trans	-60.4	-41.9	177.7	-66.9	175.7	-171.4	165.6	0	112.5	I506 E507 E513 T514	I506-K510 PolarHBondContact O-N 2.83Å; E507-K510 PolarHBondContact O-N 3.38Å; E507-K510 IonicContact OE2-NZ 3.06Å; K510-E513 PolarHBondContact O-N 3.42Å; K510-T514 WeakPolarHBondContact O-CB 3.34Å; K510-T514 PolarHBondContact O-N 2.76Å; K510-T514 PolarHBondContact O-OG1 3.07Å
511	A	95	Very high	93.2	Very high	44 Å²	44	50.1 Å²	50.1	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-61.8	-44.2	177.2	0	0	0	0	0	111.5	E507 Q508 G509 E513 T514 I515	E507-A511 PolarHBondContact O-N 3.02Å; Q508-A511 PolarHBondContact O-N 3.37Å; G509-A511 VanDerWaalsContact C-N 3.33Å; G509-A511 PolarHBondContact O-N 2.7Å; A511-E513 PolarHBondContact O-N 3.38Å; A511-T514 PolarHBondContact O-N 3.19Å; A511-I515 WeakPolarHBondContact O-CD1 3.32Å; A511-I515 VanDerWaalsContact O-CG1 3.29Å; A511-I515 WeakPolarHBondContact O-CG1 3.33Å; A511-I515 PolarHBondContact O-N 3Å; A511-I515 VanDerWaalsContact O-N 3.1Å
512	L	93.8	Very high	93.3	Very high	27 Å²	27	50.9 Å²	50.9	14%	0.141	26%	0.257	C	S	.	.	H	α-helix	trans	-62.2	-43.1	176.2	-72.8	175.1	0	0	0	112.6	P363 P455 Y472 Q508 G509 T514 I515 F516	P363-L512 HydrophobicContact CB-CD1 4.45Å; P455-L512 HydrophobicContact CB-CD2 3.88Å; P455-L512 HydrophobicContact CG-CD1 4.32Å; P455-L512 HydrophobicContact CG-CD2 3.48Å; P455-L512 VanDerWaalsContact CG-CD2 3.48Å; Y472-L512 HydrophobicContact CE2-CB 4.41Å; Q508-L512 VanDerWaalsContact O-CG 3.29Å; Q508-L512 WeakPolarHBondContact O-CG 3.16Å; Q508-L512 PolarHBondContact O-N 3.1Å; G509-L512 PolarHBondContact O-N 3.27Å; L512-T514 VanDerWaalsContact C-N 3.32Å; L512-I515 PolarHBondContact O-N 2.82Å; L512-F516 HydrophobicContact CD2-CD2 4Å; L512-F516 HydrophobicContact CD2-CE2 4.05Å; L512-F516 WeakPolarHBondContact O-CB 3.45Å; L512-F516 PolarHBondContact O-N 2.91Å
513	E	92	Very high	93.5	Very high	63 Å²	63	53.1 Å²	53.1	29%	0.294	27%	0.27	S	S	.	.	H	α-helix	trans	-64.6	-37.9	177.6	-170.4	168.4	-180	0	0	111.9	Y472 R474 G509 K510 A511 I515 G517	Y472-E513 HydrophobicContact CE1-CB 4.13Å; Y472-E513 HydrophobicContact CE1-CG 4.29Å; Y472-E513 WeakPolarHBondContact CE1-OE2 3.4Å; R474-E513 IonicContact CZ-OE1 2.69Å; R474-E513 IonicContact CZ-OE2 3.6Å; R474-E513 IonicContact NE-OE1 3.44Å; R474-E513 IonicContact NE-OE2 3.77Å; R474-E513 PolarHBondContact NE-OE2 3.35Å; R474-E513 IonicContact NH2-OE1 3.66Å; R474-E513 PolarHBondContact NH2-OE1 3.4Å; R474-E513 IonicContact NH2-OE2 2.64Å; R474-E513 PolarHBondContact NH2-OE2 3.44Å; G509-E513 PolarHBondContact O-N 3.07Å; K510-E513 PolarHBondContact O-N 3.42Å; A511-E513 PolarHBondContact O-N 3.38Å; E513-I515 PolarHBondContact O-N 2.86Å; E513-G517 WeakPolarHBondContact O-CA 3.24Å; E513-G517 PolarHBondContact O-N 3.19Å
514	T	90.2	Very high	93.6	Very high	95 Å²	95	47.6 Å²	47.6	58%	0.583	25%	0.245	S	C	*	.	H	α-helix	trans	-63.5	-42.9	176.1	-57.5	0	0	0	0	112	R260 K510 A511 L512	R260-T514 PolarHBondContact NH1-O 3.32Å; R260-T514 VanDerWaalsContact NH1-O 3.16Å; K510-T514 WeakPolarHBondContact O-CB 3.34Å; K510-T514 PolarHBondContact O-N 2.76Å; K510-T514 PolarHBondContact O-OG1 3.07Å; A511-T514 PolarHBondContact O-N 3.19Å; L512-T514 VanDerWaalsContact C-N 3.32Å
515	I	89.6	Confident	93.7	Very high	87 Å²	87	44.9 Å²	44.9	45%	0.446	24%	0.235	S	C	.	.	H	α-helix	trans	-82.7	-42.9	-173.8	-62.9	165.9	0	0	0	112.1	A511 L512 E513	A511-I515 WeakPolarHBondContact O-CD1 3.32Å; A511-I515 VanDerWaalsContact O-CG1 3.29Å; A511-I515 WeakPolarHBondContact O-CG1 3.33Å; A511-I515 PolarHBondContact O-N 3Å; A511-I515 VanDerWaalsContact O-N 3.1Å; L512-I515 PolarHBondContact O-N 2.82Å; E513-I515 PolarHBondContact O-N 2.86Å
516	F	91.2	Very high	93.7	Very high	20 Å²	20	44.7 Å²	44.7	9%	0.088	24%	0.235	C	C	.	.	H	α-helix	trans	-114.9	-1.8	-170.3	-60.4	-75.4	0	0	0	114	P455 I458 L512 C518 F519 F520	P455-F516 HydrophobicContact CB-CD2 3.85Å; P455-F516 HydrophobicContact CB-CE2 3.58Å; P455-F516 HydrophobicContact CB-CG 4.49Å; P455-F516 HydrophobicContact CB-CZ 4Å; I458-F516 HydrophobicContact CD1-CB 3.95Å; I458-F516 HydrophobicContact CD1-CD1 3.89Å; I458-F516 HydrophobicContact CD1-CG 4.02Å; L512-F516 HydrophobicContact CD2-CD2 4Å; L512-F516 HydrophobicContact CD2-CE2 4.05Å; L512-F516 WeakPolarHBondContact O-CB 3.45Å; L512-F516 PolarHBondContact O-N 2.91Å; F516-C518 PolarHBondContact O-N 2.84Å; F516-C518 VanDerWaalsContact O-N 3.08Å; F516-F519 HydrophobicContact CB-CD2 4.43Å; F516-F519 HydrophobicContact CD1-CD2 4.29Å; F516-F519 HydrophobicContact CD1-CE2 4.48Å; F516-F519 WeakPolarHBondContact O-CB 3.34Å; F516-F519 PolarHBondContact O-N 2.82Å; F516-F520 HydrophobicContact CB-CE1 3.94Å; F516-F520 HydrophobicContact CB-CZ 3.7Å
517	G	89.9	Confident	93.5	Very high	18 Å²	18	45.4 Å²	45.4	19%	0.186	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-50.8	-38.3	-172.2	0	0	0	0	0	114.9	E513 F519 F520	E513-G517 WeakPolarHBondContact O-CA 3.24Å; E513-G517 PolarHBondContact O-N 3.19Å; G517-F519 PolarHBondContact O-N 2.86Å; G517-F519 VanDerWaalsContact O-N 3.12Å; G517-F520 PolarHBondContact O-N 2.85Å; G517-F520 VanDerWaalsContact O-N 3.16Å
518	C	88.3	Confident	93.3	Very high	8 Å²	8	42 Å²	42	5%	0.054	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	-63.2	-16.6	179.2	60	0	0	0	0	114.4	M238 L339 F516	M238-C518 HydrophobicContact CB-CB 4.27Å; M238-C518 HydrophobicContact CE-CB 3.76Å; M238-C518 WeakPolarHBondContact CE-O 3.38Å; M238-C518 WeakPolarHBondContact O-CB 3.49Å; M238-C518 HydrophobicContact SD-CB 4.36Å; L339-C518 VanDerWaalsContact CD1-SG 3.56Å; F516-C518 PolarHBondContact O-N 2.84Å; F516-C518 VanDerWaalsContact O-N 3.08Å
519	F	91.1	Very high	93	Very high	15 Å²	15	39.2 Å²	39.2	7%	0.066	22%	0.218	C	C	.	.	G	3₁₀ helix	trans	-93.5	-12.6	178.6	-63.2	-61.4	0	0	0	114	M238 L339 I458 F470 F516 G517	M238-F519 HydrophobicContact CE-CD1 4.2Å; M238-F519 HydrophobicContact CE-CE1 4.22Å; L339-F519 HydrophobicContact CD1-CD2 4.46Å; L339-F519 HydrophobicContact CD1-CE1 3.94Å; L339-F519 HydrophobicContact CD1-CE2 3.44Å; L339-F519 VanDerWaalsContact CD1-CE2 3.44Å; L339-F519 HydrophobicContact CD1-CZ 3.15Å; L339-F519 HydrophobicContact CD2-CE1 4.13Å; L339-F519 HydrophobicContact CD2-CZ 4.06Å; L339-F519 HydrophobicContact CG-CZ 4.19Å; I458-F519 HydrophobicContact CG2-CB 3.86Å; I458-F519 HydrophobicContact CG2-CD1 4.29Å; I458-F519 HydrophobicContact CG2-CD2 3.83Å; I458-F519 HydrophobicContact CG2-CE2 4.37Å; I458-F519 HydrophobicContact CG2-CG 3.75Å; F470-F519 WeakPolarHBondContact CD2-O 3.48Å; F516-F519 HydrophobicContact CB-CD2 4.43Å; F516-F519 HydrophobicContact CD1-CD2 4.29Å; F516-F519 HydrophobicContact CD1-CE2 4.48Å; F516-F519 WeakPolarHBondContact O-CB 3.34Å; F516-F519 PolarHBondContact O-N 2.82Å; G517-F519 PolarHBondContact O-N 2.86Å; G517-F519 VanDerWaalsContact O-N 3.12Å
520	F	93.6	Very high	92.8	Very high	23 Å²	23	44.4 Å²	44.4	10%	0.101	24%	0.242	C	C	.	.			trans	-78.2	128.4	-176.7	-54.4	-31.4	0	0	0	110.1	I361 I458 F470 Y472 F516 G517	I361-F520 HydrophobicContact CB-CE1 4.01Å; I361-F520 HydrophobicContact CG1-CE1 4.42Å; I361-F520 HydrophobicContact CG2-CE1 3.79Å; I361-F520 HydrophobicContact CG2-CZ 3.99Å; I458-F520 HydrophobicContact CD1-CE1 4Å; F470-F520 HydrophobicContact CB-CD1 4.4Å; Y472-F520 AromaticContact CD1-CD2 3.99Å; Y472-F520 HydrophobicContact CD1-CD2 3.99Å; Y472-F520 AromaticContact CD1-CE2 3.91Å; Y472-F520 HydrophobicContact CD1-CE2 3.91Å; Y472-F520 HydrophobicContact CD2-CD2 4.24Å; Y472-F520 AromaticContact CD2-CE2 3.6Å; Y472-F520 HydrophobicContact CD2-CE2 3.6Å; Y472-F520 AromaticContact CD2-CZ 3.78Å; Y472-F520 HydrophobicContact CD2-CZ 3.78Å; Y472-F520 HydrophobicContact CE2-CE2 4.27Å; Y472-F520 HydrophobicContact CE2-CZ 4.5Å; Y472-F520 AromaticContact CG-CD2 3.61Å; Y472-F520 HydrophobicContact CG-CD2 3.61Å; Y472-F520 AromaticContact CG-CE2 3.42Å; Y472-F520 HydrophobicContact CG-CE2 3.42Å; Y472-F520 VanDerWaalsContact CG-CE2 3.42Å; Y472-F520 HydrophobicContact CG-CG 4.31Å; Y472-F520 HydrophobicContact CG-CZ 4.01Å; F516-F520 HydrophobicContact CB-CE1 3.94Å; F516-F520 HydrophobicContact CB-CZ 3.7Å; G517-F520 PolarHBondContact O-N 2.85Å; G517-F520 VanDerWaalsContact O-N 3.16Å
521	D	94.1	Very high	92.8	Very high	35 Å²	35	42.2 Å²	42.2	19%	0.187	24%	0.238	C	C	.	.	S	Bend	trans	-86.7	-23.6	175.6	-57.1	-71.7	0	0	0	111.4	R236 Y469 F470	R236-D521 IonicContact NH1-OD1 3.77Å; R236-D521 PolarHBondContact NH1-OD1 3.42Å; Y469-D521 WeakPolarHBondContact CA-OD2 3.41Å; Y469-D521 HydrophobicContact CD1-CB 4.35Å; Y469-D521 HydrophobicContact CD2-CB 3.62Å; Y469-D521 HydrophobicContact CE1-CB 4.07Å; Y469-D521 HydrophobicContact CE2-CB 3.3Å; Y469-D521 HydrophobicContact CG-CB 4.16Å; F470-D521 PolarHBondContact N-OD2 2.87Å; F470-D521 PolarHBondContact O-N 2.85Å
522	Y	95.4	Very high	92.9	Very high	81 Å²	81	40.2 Å²	40.2	32%	0.318	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148	146.8	178.2	-164.9	-89.7	0	0	0	111.9	F470 V471 Y472 L524 E535 I539	F470-Y522 PolarHBondContact O-N 3.11Å; V471-Y522 WeakPolarHBondContact CA-O 3.43Å; V471-Y522 HydrophobicContact CG1-CD1 4.25Å; Y472-Y522 PolarHBondContact N-O 3.4Å; Y522-L524 HydrophobicContact CD1-CB 4.27Å; Y522-L524 HydrophobicContact CE1-CB 4.29Å; Y522-E535 HydrophobicContact CE1-CG 4.32Å; Y522-E535 VanDerWaalsContact CE1-OE1 3.24Å; Y522-E535 WeakPolarHBondContact CE1-OE1 3.36Å; Y522-E535 PolarHBondContact OH-OE1 3.24Å; Y522-I539 HydrophobicContact CD1-CD1 3.4Å; Y522-I539 HydrophobicContact CD1-CG1 4.4Å; Y522-I539 HydrophobicContact CD2-CD1 4.09Å; Y522-I539 HydrophobicContact CD2-CG1 4.25Å; Y522-I539 HydrophobicContact CE1-CD1 3.51Å; Y522-I539 HydrophobicContact CE1-CG1 4.39Å; Y522-I539 HydrophobicContact CE2-CD1 4.16Å; Y522-I539 HydrophobicContact CE2-CG1 4.22Å; Y522-I539 HydrophobicContact CG-CD1 3.71Å; Y522-I539 HydrophobicContact CG-CG1 4.33Å
523	V	96	Very high	93	Very high	48 Å²	48	39.6 Å²	39.6	29%	0.291	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.7	172.1	-172	0	0	0	0	111.9	Y472 R474	Y472-V523 HydrophobicContact CD1-CB 4.46Å; Y472-V523 HydrophobicContact CD1-CG1 3.58Å; Y472-V523 HydrophobicContact CD1-CG2 4.19Å; Y472-V523 HydrophobicContact CE1-CG1 4.27Å; Y472-V523 HydrophobicContact CG-CG1 4.47Å; Y472-V523 CarbonylContact O-C 3.56Å; Y472-V523 WeakPolarHBondContact O-CA 3.45Å; R474-V523 HydrophobicContact CB-CG1 3.88Å
524	L	97.6	Very high	93.2	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	114.7	-179.2	177.4	65.6	0	0	0	110.6	L371 V471 Y472 V473 R474 Y522 N526 A532 E535 L536	L371-L524 HydrophobicContact CD1-CD2 4.16Å; V471-L524 HydrophobicContact CG1-CB 3.76Å; V471-L524 HydrophobicContact CG1-CD2 4.31Å; Y472-L524 PolarHBondContact O-N 3.28Å; V473-L524 CarbonylContact C-O 3.53Å; V473-L524 WeakPolarHBondContact CA-O 3.35Å; V473-L524 HydrophobicContact CG2-CD2 4.44Å; R474-L524 PolarHBondContact N-O 3.14Å; Y522-L524 HydrophobicContact CD1-CB 4.27Å; Y522-L524 HydrophobicContact CE1-CB 4.29Å; L524-N526 PolarHBondContact O-N 3Å; L524-A532 HydrophobicContact CD1-CB 4.15Å; L524-A532 HydrophobicContact CD2-CB 4.17Å; L524-A532 HydrophobicContact CG-CB 4.32Å; L524-E535 HydrophobicContact CD1-CB 3.82Å; L524-E535 HydrophobicContact CD1-CG 3.7Å; L524-E535 VanDerWaalsContact CD1-OE1 3.23Å; L524-E535 WeakPolarHBondContact CD1-OE1 3.44Å; L524-E535 WeakPolarHBondContact CD1-OE2 3.5Å; L524-L536 HydrophobicContact CD2-CD1 4.01Å; L524-L536 HydrophobicContact CD2-CD2 3.84Å; L524-L536 HydrophobicContact CD2-CG 3.69Å
525	V	97	Very high	93.6	Very high	55 Å²	55	41.7 Å²	41.7	33%	0.333	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	109.4	176.7	-176.3	0	0	0	0	110	R474 P476 S527	R474-V525 HydrophobicContact CB-CG2 4.42Å; P476-V525 HydrophobicContact CB-CG1 4.16Å; V525-S527 VanDerWaalsContact C-N 3.28Å; V525-S527 PolarHBondContact O-N 2.89Å
526	N	94.8	Very high	93.9	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	19%	0.194	C	C	.	.			trans	-82.3	67.1	-174.6	-168.4	15.6	0	0	0	113.4	V366 V473 R474 P476 R485 L524	V366-N526 PolarHBondContact O-ND2 3.35Å; V473-N526 HydrophobicContact CG1-CB 3.78Å; R474-N526 PolarHBondContact O-N 2.79Å; P476-N526 WeakPolarHBondContact CD-O 3.47Å; R485-N526 PolarHBondContact NH2-ND2 3.07Å; L524-N526 PolarHBondContact O-N 3Å
527	S	91.4	Very high	94.2	Very high	46 Å²	46	38.2 Å²	38.2	32%	0.322	20%	0.198	S	C	.	.	S	Bend	trans	-75.2	-37.1	175.3	-59.4	0	0	0	0	112.9	T484 V525	T484-S527 WeakPolarHBondContact CG2-O 3.4Å; V525-S527 VanDerWaalsContact C-N 3.28Å; V525-S527 PolarHBondContact O-N 2.89Å
528	S	90.5	Very high	94.5	Very high	38 Å²	38	42.1 Å²	42.1	27%	0.266	22%	0.215	S	C	.	.			trans	-142	137.2	174.3	148.9	0	0	0	0	107.8	E530 V531 A532	S528-E530 PolarHBondContact O-N 3.38Å; S528-E530 PolarHBondContact OG-N 2.65Å; S528-E530 PolarHBondContact OG-OE2 3.15Å; S528-V531 PolarHBondContact O-N 3.5Å; S528-V531 PolarHBondContact OG-N 3.49Å; S528-A532 VanDerWaalsContact O-CB 3.28Å; S528-A532 WeakPolarHBondContact O-CB 3.37Å; S528-A532 PolarHBondContact O-N 3.1Å
529	L	90.6	Very high	94.8	Very high	6 Å²	6	42.3 Å²	42.3	3%	0.031	22%	0.215	C	C	.	.	H	α-helix	trans	-62.1	-35.7	179.3	-71.2	173.8	0	0	0	111.6	E370 L371 V533	E370-L529 HydrophobicContact CB-CD2 4.41Å; E370-L529 HydrophobicContact CG-CD1 3.63Å; E370-L529 HydrophobicContact CG-CD2 4.08Å; E370-L529 HydrophobicContact CG-CG 4.49Å; L371-L529 HydrophobicContact CD2-CD2 3.98Å; L371-L529 HydrophobicContact CG-CD2 4.28Å; L529-V533 WeakPolarHBondContact O-CB 3.33Å; L529-V533 WeakPolarHBondContact O-CG2 3.38Å; L529-V533 PolarHBondContact O-N 3.18Å
530	E	91.8	Very high	95	Very high	110 Å²	110	41.7 Å²	41.7	51%	0.514	21%	0.213	S	C	.	.	H	α-helix	trans	-67.5	-45.4	-179.2	-62	69	-145.1	0	0	111.3	R374 S528 R534	R374-E530 IonicContact CZ-OE1 2.65Å; R374-E530 IonicContact NH1-OE1 3.18Å; R374-E530 PolarHBondContact NH1-OE1 2.98Å; R374-E530 IonicContact NH2-OE1 3.41Å; S528-E530 PolarHBondContact O-N 3.38Å; S528-E530 PolarHBondContact OG-N 2.65Å; S528-E530 PolarHBondContact OG-OE2 3.15Å; E530-R534 PolarHBondContact O-N 3.2Å
531	V	94.7	Very high	95	Very high	68 Å²	68	43 Å²	43	41%	0.412	22%	0.224	S	C	.	.	H	α-helix	trans	-64.9	-46.1	176.5	178.4	0	0	0	0	110.3	S528 V533 R534 E535	S528-V531 PolarHBondContact O-N 3.5Å; S528-V531 PolarHBondContact OG-N 3.49Å; V531-V533 PolarHBondContact O-N 3.03Å; V531-R534 PolarHBondContact O-N 3.01Å; V531-E535 PolarHBondContact O-N 2.98Å
532	A	96.5	Very high	94.9	Very high	2 Å²	2	42.7 Å²	42.7	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-65.4	-36.1	-177.8	0	0	0	0	0	113.1	L371 L524 S528 L536	L371-A532 HydrophobicContact CD2-CB 3.68Å; L524-A532 HydrophobicContact CD1-CB 4.15Å; L524-A532 HydrophobicContact CD2-CB 4.17Å; L524-A532 HydrophobicContact CG-CB 4.32Å; S528-A532 VanDerWaalsContact O-CB 3.28Å; S528-A532 WeakPolarHBondContact O-CB 3.37Å; S528-A532 PolarHBondContact O-N 3.1Å; A532-L536 WeakPolarHBondContact O-CG 3.22Å; A532-L536 PolarHBondContact O-N 2.62Å
533	V	96.4	Very high	94.8	Very high	13 Å²	13	39.5 Å²	39.5	8%	0.079	21%	0.213	C	C	.	.	H	α-helix	trans	-67.4	-40.2	174.4	169.5	0	0	0	0	111.4	L371 R374 L529 V531 L536 L537	L371-V533 HydrophobicContact CD2-CG2 3.82Å; R374-V533 HydrophobicContact CB-CG2 3.72Å; L529-V533 WeakPolarHBondContact O-CB 3.33Å; L529-V533 WeakPolarHBondContact O-CG2 3.38Å; L529-V533 PolarHBondContact O-N 3.18Å; V531-V533 PolarHBondContact O-N 3.03Å; V533-L536 PolarHBondContact O-N 3.28Å; V533-L537 HydrophobicContact CG1-CD1 4.36Å; V533-L537 WeakPolarHBondContact O-CG 3.35Å; V533-L537 PolarHBondContact O-N 2.85Å
534	R	96.8	Very high	94.6	Very high	154 Å²	154	40.3 Å²	40.3	58%	0.581	21%	0.214	S	C	*	.	H	α-helix	trans	-63	-44.8	175.8	179.5	176.7	55.7	171.8	-1.3	111.3	E530 V531 L536 L537 D538	E530-R534 PolarHBondContact O-N 3.2Å; V531-R534 PolarHBondContact O-N 3.01Å; R534-L536 VanDerWaalsContact C-N 3.32Å; R534-L536 PolarHBondContact O-N 3.01Å; R534-L537 WeakPolarHBondContact O-CA 3.32Å; R534-L537 WeakPolarHBondContact O-CB 3.39Å; R534-L537 PolarHBondContact O-N 2.87Å; R534-D538 VanDerWaalsContact O-CG 3.31Å; R534-D538 PolarHBondContact O-N 3.34Å
535	E	97.5	Very high	94.2	Very high	48 Å²	48	47.2 Å²	47.2	22%	0.224	25%	0.25	C	S	.	.	H	α-helix	trans	-61.5	-39.9	176.6	-166.9	173.1	149.9	0	0	111.8	Y522 L524 V531 L537 D538 I539	Y522-E535 HydrophobicContact CE1-CG 4.32Å; Y522-E535 VanDerWaalsContact CE1-OE1 3.24Å; Y522-E535 WeakPolarHBondContact CE1-OE1 3.36Å; Y522-E535 PolarHBondContact OH-OE1 3.24Å; L524-E535 HydrophobicContact CD1-CB 3.82Å; L524-E535 HydrophobicContact CD1-CG 3.7Å; L524-E535 VanDerWaalsContact CD1-OE1 3.23Å; L524-E535 WeakPolarHBondContact CD1-OE1 3.44Å; L524-E535 WeakPolarHBondContact CD1-OE2 3.5Å; V531-E535 PolarHBondContact O-N 2.98Å; E535-L537 VanDerWaalsContact C-N 3.33Å; E535-L537 PolarHBondContact O-N 3.4Å; E535-D538 PolarHBondContact O-N 3.2Å; E535-I539 WeakPolarHBondContact O-CD1 3.27Å; E535-I539 VanDerWaalsContact O-CG1 3.26Å; E535-I539 WeakPolarHBondContact O-CG1 3.44Å; E535-I539 PolarHBondContact O-N 3.41Å
536	L	97.2	Very high	94	Very high	1 Å²	1	50 Å²	50	1%	0.005	26%	0.26	C	S	.	.	H	α-helix	trans	-60.8	-39	171.1	-75.5	172	0	0	0	113	L360 L371 L375 V471 L524 A532 V533 R534 I539 T540	L360-L536 HydrophobicContact CD2-CD1 4.5Å; L360-L536 HydrophobicContact CD2-CD2 3.94Å; L371-L536 HydrophobicContact CB-CD1 4.05Å; L371-L536 HydrophobicContact CD1-CD1 4.42Å; L371-L536 HydrophobicContact CD2-CD1 4.34Å; L371-L536 HydrophobicContact CG-CD1 4.5Å; L375-L536 HydrophobicContact CD1-CB 4.4Å; V471-L536 HydrophobicContact CG1-CD2 4.05Å; V471-L536 HydrophobicContact CG2-CD2 4.37Å; L524-L536 HydrophobicContact CD2-CD1 4.01Å; L524-L536 HydrophobicContact CD2-CD2 3.84Å; L524-L536 HydrophobicContact CD2-CG 3.69Å; A532-L536 WeakPolarHBondContact O-CG 3.22Å; A532-L536 PolarHBondContact O-N 2.62Å; V533-L536 PolarHBondContact O-N 3.28Å; R534-L536 VanDerWaalsContact C-N 3.32Å; R534-L536 PolarHBondContact O-N 3.01Å; L536-I539 HydrophobicContact CD2-CD1 4.46Å; L536-I539 PolarHBondContact O-N 2.96Å; L536-T540 WeakPolarHBondContact O-CG2 3.26Å; L536-T540 PolarHBondContact O-N 2.77Å; L536-T540 PolarHBondContact O-OG1 3.37Å
537	L	96.6	Very high	93.8	Very high	34 Å²	34	52.5 Å²	52.5	18%	0.178	28%	0.277	C	S	.	.	H	α-helix	trans	-65.4	-41.2	175.5	-71	164.8	0	0	0	111.4	L375 T378 F383 V533 R534 E535 T540 S541	L375-L537 HydrophobicContact CD1-CD2 3.58Å; L375-L537 HydrophobicContact CD1-CG 3.93Å; T378-L537 HydrophobicContact CG2-CD1 4.04Å; T378-L537 HydrophobicContact CG2-CD2 4.47Å; F383-L537 HydrophobicContact CE2-CD2 3.89Å; F383-L537 HydrophobicContact CZ-CD2 4.13Å; V533-L537 HydrophobicContact CG1-CD1 4.36Å; V533-L537 WeakPolarHBondContact O-CG 3.35Å; V533-L537 PolarHBondContact O-N 2.85Å; R534-L537 WeakPolarHBondContact O-CA 3.32Å; R534-L537 WeakPolarHBondContact O-CB 3.39Å; R534-L537 PolarHBondContact O-N 2.87Å; E535-L537 VanDerWaalsContact C-N 3.33Å; E535-L537 PolarHBondContact O-N 3.4Å; L537-T540 WeakPolarHBondContact CA-OG1 3.27Å; L537-T540 PolarHBondContact O-N 3Å; L537-T540 PolarHBondContact O-OG1 3.47Å; L537-S541 WeakPolarHBondContact O-CB 3.44Å; L537-S541 PolarHBondContact O-N 3Å; L537-S541 PolarHBondContact O-OG 3.05Å
538	D	96.7	Very high	93.8	Very high	99 Å²	99	51.5 Å²	51.5	53%	0.529	27%	0.268	S	S	.	.	H	α-helix	trans	-62.8	-45.3	177	-62.3	-26.5	0	0	0	110.7	R534 E535 T540 S541 S542	R534-D538 VanDerWaalsContact O-CG 3.31Å; R534-D538 PolarHBondContact O-N 3.34Å; E535-D538 PolarHBondContact O-N 3.2Å; D538-T540 PolarHBondContact O-N 3.38Å; D538-S541 PolarHBondContact O-N 2.87Å; D538-S541 VanDerWaalsContact O-N 3.17Å; D538-S542 PolarHBondContact O-N 3.26Å
539	I	95.3	Very high	93.9	Very high	12 Å²	12	51.4 Å²	51.4	6%	0.062	26%	0.261	C	S	.	.	H	α-helix	trans	-57.7	-49.1	173.8	-67.7	162.4	0	0	0	110.8	Y469 Y522 E535 L536 S541 S542 L543	Y469-I539 HydrophobicContact CD1-CG2 4Å; Y469-I539 HydrophobicContact CE1-CG2 3.44Å; Y469-I539 VanDerWaalsContact CE1-CG2 3.44Å; Y522-I539 HydrophobicContact CD1-CD1 3.4Å; Y522-I539 HydrophobicContact CD1-CG1 4.4Å; Y522-I539 HydrophobicContact CD2-CD1 4.09Å; Y522-I539 HydrophobicContact CD2-CG1 4.25Å; Y522-I539 HydrophobicContact CE1-CD1 3.51Å; Y522-I539 HydrophobicContact CE1-CG1 4.39Å; Y522-I539 HydrophobicContact CE2-CD1 4.16Å; Y522-I539 HydrophobicContact CE2-CG1 4.22Å; Y522-I539 HydrophobicContact CG-CD1 3.71Å; Y522-I539 HydrophobicContact CG-CG1 4.33Å; E535-I539 WeakPolarHBondContact O-CD1 3.27Å; E535-I539 VanDerWaalsContact O-CG1 3.26Å; E535-I539 WeakPolarHBondContact O-CG1 3.44Å; E535-I539 PolarHBondContact O-N 3.41Å; L536-I539 HydrophobicContact CD2-CD1 4.46Å; L536-I539 PolarHBondContact O-N 2.96Å; I539-S541 PolarHBondContact O-N 2.91Å; I539-S542 PolarHBondContact O-N 2.92Å; I539-L543 HydrophobicContact CG2-CD1 4.03Å; I539-L543 HydrophobicContact CG2-CG 4.46Å; I539-L543 VanDerWaalsContact O-CG 3.32Å; I539-L543 WeakPolarHBondContact O-CG 3.45Å; I539-L543 PolarHBondContact O-N 2.91Å
540	T	94.1	Very high	94	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.018	26%	0.26	C	S	.	.	H	α-helix	trans	-63.6	-29.6	-179.8	60.6	0	0	0	0	112.7	I358 F383 L536 L537 D538 E544	I358-T540 HydrophobicContact CD1-CG2 4.06Å; I358-T540 HydrophobicContact CG1-CG2 3.97Å; F383-T540 HydrophobicContact CE1-CG2 3.68Å; F383-T540 HydrophobicContact CZ-CG2 4Å; L536-T540 WeakPolarHBondContact O-CG2 3.26Å; L536-T540 PolarHBondContact O-N 2.77Å; L536-T540 PolarHBondContact O-OG1 3.37Å; L537-T540 WeakPolarHBondContact CA-OG1 3.27Å; L537-T540 PolarHBondContact O-N 3Å; L537-T540 PolarHBondContact O-OG1 3.47Å; D538-T540 PolarHBondContact O-N 3.38Å; T540-E544 WeakPolarHBondContact O-CG 3.48Å
541	S	93.5	Very high	94.1	Very high	49 Å²	49	46.1 Å²	46.1	34%	0.343	24%	0.237	S	C	.	.	H	α-helix	trans	-75.5	-41.7	176.3	-54.7	0	0	0	0	111.3	L537 D538 I539 L543 E544 L545	L537-S541 WeakPolarHBondContact O-CB 3.44Å; L537-S541 PolarHBondContact O-N 3Å; L537-S541 PolarHBondContact O-OG 3.05Å; D538-S541 PolarHBondContact O-N 2.87Å; D538-S541 VanDerWaalsContact O-N 3.17Å; I539-S541 PolarHBondContact O-N 2.91Å; S541-L543 VanDerWaalsContact C-N 3.31Å; S541-L543 PolarHBondContact O-N 3.49Å; S541-E544 PolarHBondContact O-N 3.19Å; S541-L545 WeakPolarHBondContact O-CG 3.4Å; S541-L545 PolarHBondContact O-N 3.36Å
542	S	93.2	Very high	93.9	Very high	29 Å²	29	44 Å²	44	20%	0.203	23%	0.225	C	C	.	.	H	α-helix	trans	-57.5	-45.3	171.9	166.6	0	0	0	0	110.6	D538 I539 E544 L545 E546 H548	D538-S542 PolarHBondContact O-N 3.26Å; I539-S542 PolarHBondContact O-N 2.92Å; S542-E544 PolarHBondContact O-N 3.08Å; S542-L545 PolarHBondContact O-N 2.83Å; S542-E546 WeakPolarHBondContact O-CB 3.43Å; S542-E546 PolarHBondContact O-N 3.25Å; S542-E546 PolarHBondContact OG-OE2 3.41Å; S542-H548 PolarHBondContact O-CE1 3.12Å; S542-H548 VanDerWaalsContact O-CE1 3.25Å; S542-H548 PolarHBondContact OG-NE2 2.71Å; S542-H548 VanDerWaalsContact OG-NE2 3.08Å
543	L	93.1	Very high	93.6	Very high	14 Å²	14	48.4 Å²	48.4	7%	0.073	26%	0.262	C	S	.	.	H	α-helix	trans	-59.1	-18.1	178.2	-71.8	172.3	0	0	0	115.5	P350 I358 Y469 I539 S541 H548	P350-L543 WeakPolarHBondContact CG-O 3.22Å; I358-L543 HydrophobicContact CD1-CD1 3.36Å; Y469-L543 HydrophobicContact CD1-CD1 3.75Å; Y469-L543 HydrophobicContact CD1-CD2 4.46Å; Y469-L543 HydrophobicContact CD2-CD1 4.14Å; Y469-L543 HydrophobicContact CD2-CD2 3.45Å; Y469-L543 VanDerWaalsContact CD2-CD2 3.45Å; Y469-L543 HydrophobicContact CD2-CG 4.38Å; Y469-L543 HydrophobicContact CE1-CD1 4.25Å; Y469-L543 HydrophobicContact CE2-CD2 3.63Å; Y469-L543 HydrophobicContact CG-CD1 3.67Å; Y469-L543 HydrophobicContact CG-CD2 3.88Å; Y469-L543 HydrophobicContact CG-CG 4.39Å; I539-L543 HydrophobicContact CG2-CD1 4.03Å; I539-L543 HydrophobicContact CG2-CG 4.46Å; I539-L543 VanDerWaalsContact O-CG 3.32Å; I539-L543 WeakPolarHBondContact O-CG 3.45Å; I539-L543 PolarHBondContact O-N 2.91Å; S541-L543 VanDerWaalsContact C-N 3.31Å; S541-L543 PolarHBondContact O-N 3.49Å; L543-H548 VanDerWaalsContact CA-CE1 3.42Å; L543-H548 WeakPolarHBondContact CA-CE1 3.26Å
544	E	90.6	Very high	93.4	Very high	65 Å²	65	49 Å²	49	30%	0.304	26%	0.262	S	S	.	.	H	α-helix	trans	-97.2	-21	177.9	-71.7	171.7	175.7	0	0	113	P350 H355 K382 T540 S541 S542	P350-E544 WeakPolarHBondContact CB-O 3.47Å; H355-E544 IonicContact CE1-OE1 2.9Å; H355-E544 PolarHBondContact CE1-OE1 3.21Å; H355-E544 IonicContact ND1-OE1 3.7Å; H355-E544 PolarHBondContact ND1-OE1 2.94Å; K382-E544 WeakPolarHBondContact CE-OE1 3.39Å; K382-E544 IonicContact NZ-OE1 3.43Å; K382-E544 PolarHBondContact NZ-OE1 3.1Å; K382-E544 IonicContact NZ-OE2 3.68Å; K382-E544 PolarHBondContact NZ-OE2 3.43Å; T540-E544 WeakPolarHBondContact O-CG 3.48Å; S541-E544 PolarHBondContact O-N 3.19Å; S542-E544 PolarHBondContact O-N 3.08Å
545	L	90.5	Very high	92.9	Very high	146 Å²	146	48.1 Å²	48.1	76%	0.764	27%	0.269	S	S	*	.	H	α-helix	trans	-110.3	-39.6	-171.2	-65.8	172.2	0	0	0	112.8	S541 S542	S541-L545 WeakPolarHBondContact O-CG 3.4Å; S541-L545 PolarHBondContact O-N 3.36Å; S542-L545 PolarHBondContact O-N 2.83Å
546	E	91.3	Very high	92.7	Very high	113 Å²	113	48.2 Å²	48.2	53%	0.528	27%	0.271	S	S	.	.	S	Bend	trans	-103	159	-169.7	-62.7	174.3	172	0	0	111	P350 S542 H548	P350-E546 WeakPolarHBondContact CD-O 3.22Å; P350-E546 WeakPolarHBondContact CG-O 3.38Å; S542-E546 WeakPolarHBondContact O-CB 3.43Å; S542-E546 PolarHBondContact O-N 3.25Å; S542-E546 PolarHBondContact OG-OE2 3.41Å; E546-H548 PolarHBondContact O-CE1 2.82Å; E546-H548 PolarHBondContact O-ND1 2.73Å
547	S	91	Very high	92.5	Very high	53 Å²	53	50.6 Å²	50.6	37%	0.371	29%	0.285	S	S	.	.			trans	-85.5	141.8	173.1	-53.6	0	0	0	0	110.3	Y348 R349	Y348-S547 VanDerWaalsContact O-CA 3.27Å; Y348-S547 WeakPolarHBondContact O-CA 3.28Å; R349-S547 WeakPolarHBondContact CG-OG 3.4Å
548	H	91.6	Very high	92.2	Very high	25 Å²	25	51.6 Å²	51.6	12%	0.116	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	148.9	179.2	-54.1	81.5	0	0	0	111	Y348 S542 L543 E546 V550	Y348-H548 PolarHBondContact N-O 2.89Å; Y348-H548 PolarHBondContact O-N 2.92Å; Y348-H548 VanDerWaalsContact O-N 3.08Å; S542-H548 PolarHBondContact O-CE1 3.12Å; S542-H548 VanDerWaalsContact O-CE1 3.25Å; S542-H548 PolarHBondContact OG-NE2 2.71Å; S542-H548 VanDerWaalsContact OG-NE2 3.08Å; L543-H548 VanDerWaalsContact CA-CE1 3.42Å; L543-H548 WeakPolarHBondContact CA-CE1 3.26Å; E546-H548 PolarHBondContact O-CE1 2.82Å; E546-H548 PolarHBondContact O-ND1 2.73Å; H548-V550 PolarHBondContact O-N 3.42Å
549	W	92.4	Very high	92	Very high	36 Å²	36	48.8 Å²	48.8	14%	0.136	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	127	174.3	-64.1	104.6	0	0	0	110.5	F234 R236 I263 H281 V345 L347	F234-W549 HydrophobicContact CB-CE3 4.44Å; F234-W549 HydrophobicContact CB-CH2 3.91Å; F234-W549 HydrophobicContact CB-CZ3 3.58Å; F234-W549 AromaticContact CD1-CH2 3.44Å; F234-W549 HydrophobicContact CD1-CH2 3.44Å; F234-W549 VanDerWaalsContact CD1-CH2 3.44Å; F234-W549 HydrophobicContact CD1-CZ2 4.23Å; F234-W549 HydrophobicContact CD1-CZ3 4.05Å; F234-W549 AromaticContact CD2-CH2 3.77Å; F234-W549 HydrophobicContact CD2-CH2 3.77Å; F234-W549 AromaticContact CD2-CZ3 3.82Å; F234-W549 HydrophobicContact CD2-CZ3 3.82Å; F234-W549 AromaticContact CE1-CH2 3.78Å; F234-W549 HydrophobicContact CE1-CH2 3.78Å; F234-W549 HydrophobicContact CE1-CZ2 4.46Å; F234-W549 HydrophobicContact CE2-CH2 4.07Å; F234-W549 HydrophobicContact CE2-CZ3 4.47Å; F234-W549 AromaticContact CG-CH2 3.44Å; F234-W549 HydrophobicContact CG-CH2 3.44Å; F234-W549 VanDerWaalsContact CG-CH2 3.44Å; F234-W549 AromaticContact CG-CZ3 3.56Å; F234-W549 HydrophobicContact CG-CZ3 3.56Å; F234-W549 HydrophobicContact CZ-CH2 4.08Å; R236-W549 VanDerWaalsContact NH2-C 3.35Å; R236-W549 PolarHBondContact NH2-O 3.08Å; I263-W549 HydrophobicContact CD1-CB 4.33Å; I263-W549 HydrophobicContact CD1-CG 4.16Å; I263-W549 HydrophobicContact CG1-CD2 4.23Å; I263-W549 HydrophobicContact CG1-CG 3.96Å; I263-W549 HydrophobicContact CG2-CD2 4.12Å; I263-W549 HydrophobicContact CG2-CE3 4.38Å; I263-W549 HydrophobicContact CG2-CH2 4.21Å; I263-W549 HydrophobicContact CG2-CZ2 3.94Å; I263-W549 HydrophobicContact CG2-CZ3 4.42Å; H281-W549 AromaticContact NE2-NE1 3.92Å; V345-W549 HydrophobicContact CB-CE3 4.06Å; V345-W549 HydrophobicContact CG2-CD2 4.3Å; V345-W549 HydrophobicContact CG2-CE3 3.61Å; V345-W549 HydrophobicContact CG2-CZ3 4.14Å; L347-W549 HydrophobicContact CD1-CH2 4.02Å; L347-W549 HydrophobicContact CD1-CZ2 3.99Å; L347-W549 HydrophobicContact CD2-CD2 3.82Å; L347-W549 HydrophobicContact CD2-CE3 4.27Å; L347-W549 HydrophobicContact CD2-CG 4.19Å; L347-W549 HydrophobicContact CD2-CH2 4.47Å; L347-W549 HydrophobicContact CD2-CZ2 4.05Å; L347-W549 HydrophobicContact CG-CD2 4Å; L347-W549 HydrophobicContact CG-CE3 3.95Å; L347-W549 HydrophobicContact CG-CH2 3.76Å; L347-W549 HydrophobicContact CG-CZ2 3.8Å; L347-W549 HydrophobicContact CG-CZ3 3.85Å
550	V	93.4	Very high	91.8	Very high	1 Å²	1	51.1 Å²	51.1	1%	0.006	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	156.7	171.3	-59.9	0	0	0	0	109.5	V345 V346 Y348 H548 S552 W554	V345-V550 CarbonylContact C-O 3.54Å; V345-V550 WeakPolarHBondContact CA-O 3.28Å; V345-V550 VanDerWaalsContact CB-O 3.31Å; V345-V550 WeakPolarHBondContact CB-O 3.48Å; V346-V550 HydrophobicContact CG1-CG2 3.99Å; V346-V550 PolarHBondContact N-O 2.79Å; V346-V550 PolarHBondContact O-N 2.95Å; Y348-V550 HydrophobicContact CG-CG1 4.37Å; Y348-V550 HydrophobicContact CG-CG2 4.46Å; H548-V550 PolarHBondContact O-N 3.42Å; V550-S552 PolarHBondContact O-N 3.34Å; V550-W554 HydrophobicContact CB-CD2 4.41Å; V550-W554 HydrophobicContact CB-CE3 3.6Å; V550-W554 HydrophobicContact CB-CZ3 3.88Å; V550-W554 HydrophobicContact CG1-CE3 3.92Å; V550-W554 HydrophobicContact CG1-CZ3 3.86Å; V550-W554 HydrophobicContact CG2-CE3 4.37Å
551	P	93.2	Very high	91.6	Very high	4 Å²	4	54.3 Å²	54.3	3%	0.026	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-53.2	131.8	171.5	-26.5	35.6	0	0	0	111.4	E343 E344 R462 A553 W554	E343-P551 HydrophobicContact CG-CB 4.3Å; E343-P551 VanDerWaalsContact OE1-CG 3.27Å; E343-P551 WeakPolarHBondContact OE1-CG 3.47Å; E344-P551 CarbonylContact O-C 3.55Å; E344-P551 WeakPolarHBondContact O-CA 3.33Å; R462-P551 VanDerWaalsContact NH2-CG 3.3Å; P551-A553 PolarHBondContact O-N 3.24Å; P551-W554 HydrophobicContact CB-CD2 4.22Å; P551-W554 HydrophobicContact CB-CG 4.09Å; P551-W554 HydrophobicContact CG-CD2 3.96Å; P551-W554 VanDerWaalsContact CG-CE2 3.47Å; P551-W554 HydrophobicContact CG-CG 4.35Å; P551-W554 HydrophobicContact CG-CH2 4.21Å; P551-W554 HydrophobicContact CG-CZ2 3.6Å; P551-W554 VanDerWaalsContact O-CB 3.3Å; P551-W554 WeakPolarHBondContact O-CB 3.26Å; P551-W554 PolarHBondContact O-N 2.84Å
552	S	91.4	Very high	91.5	Very high	23 Å²	23	54.6 Å²	54.6	16%	0.161	31%	0.306	C	S	.	.	G	3₁₀ helix	trans	-56.9	-34.5	179.7	-64.2	0	0	0	0	111.5	E344 V345 V550 W554 L555	E344-S552 WeakPolarHBondContact CG-OG 3.49Å; E344-S552 PolarHBondContact O-N 3.4Å; E344-S552 PolarHBondContact O-OG 2.89Å; E344-S552 PolarHBondContact OE1-OG 3.37Å; V345-S552 VanDerWaalsContact C-OG 3.23Å; V345-S552 WeakPolarHBondContact CA-OG 3.48Å; V345-S552 PolarHBondContact N-OG 3.14Å; V345-S552 PolarHBondContact O-OG 2.97Å; V550-S552 PolarHBondContact O-N 3.34Å; S552-W554 PolarHBondContact O-N 3.46Å; S552-L555 PolarHBondContact O-N 3.49Å; S552-L555 VanDerWaalsContact O-N 3.13Å; S552-L555 VanDerWaalsContact O-OXT 3.07Å
553	A	90.3	Very high	91.3	Very high	95 Å²	95	56.6 Å²	56.6	79%	0.785	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-63.9	-6.1	176.6	0	0	0	0	0	115.1	P551	P551-A553 PolarHBondContact O-N 3.24Å
554	W	92.5	Very high	91.2	Very high	24 Å²	24	60.2 Å²	60.2	9%	0.091	33%	0.334	C	S	.	.	G	3₁₀ helix	trans	-87.1	-12.8	175.2	-68.9	6.7	0	0	0	114	R462 G464 K467 P468 V550 P551 S552	R462-W554 HydrophobicContact CG-CZ2 3.64Å; G464-W554 VanDerWaalsContact CA-CG 3.42Å; K467-W554 HydrophobicContact CB-CE3 3.81Å; K467-W554 HydrophobicContact CB-CZ3 3.95Å; K467-W554 HydrophobicContact CG-CD2 4.44Å; K467-W554 HydrophobicContact CG-CE3 3.75Å; K467-W554 HydrophobicContact CG-CZ3 4.4Å; K467-W554 PolarHBondContact NZ-O 3.32Å; P468-W554 HydrophobicContact CG-CH2 4.4Å; V550-W554 HydrophobicContact CB-CD2 4.41Å; V550-W554 HydrophobicContact CB-CE3 3.6Å; V550-W554 HydrophobicContact CB-CZ3 3.88Å; V550-W554 HydrophobicContact CG1-CE3 3.92Å; V550-W554 HydrophobicContact CG1-CZ3 3.86Å; V550-W554 HydrophobicContact CG2-CE3 4.37Å; P551-W554 HydrophobicContact CB-CD2 4.22Å; P551-W554 HydrophobicContact CB-CG 4.09Å; P551-W554 HydrophobicContact CG-CD2 3.96Å; P551-W554 VanDerWaalsContact CG-CE2 3.47Å; P551-W554 HydrophobicContact CG-CG 4.35Å; P551-W554 HydrophobicContact CG-CH2 4.21Å; P551-W554 HydrophobicContact CG-CZ2 3.6Å; P551-W554 VanDerWaalsContact O-CB 3.3Å; P551-W554 WeakPolarHBondContact O-CB 3.26Å; P551-W554 PolarHBondContact O-N 2.84Å; S552-W554 PolarHBondContact O-N 3.46Å
555	L	86.3	Confident	91.2	Very high	137 Å²	137	59.7 Å²	59.7	72%	0.717	34%	0.336	S	S	*	.			trans	-115.6	0	177.9	-56.9	-173.2	0	0	0	109.1	V346 Y348 S552	V346-L555 HydrophobicContact CG1-CD1 3.51Å; V346-L555 HydrophobicContact CG1-CG 4.16Å; Y348-L555 HydrophobicContact CD2-CD1 4.43Å; Y348-L555 HydrophobicContact CD2-CD2 3.9Å; Y348-L555 HydrophobicContact CE2-CD2 4.3Å; S552-L555 PolarHBondContact O-N 3.49Å; S552-L555 VanDerWaalsContact O-N 3.13Å; S552-L555 VanDerWaalsContact O-OXT 3.07Å

Retrieved 555 of 555 residues in 579.6 ms (Link to these results)

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