A0A5K4FBX9_SCHMA Loading...

sulfite oxidase AlphaSync

AlphaFold DB , UniProt , Accession A0A5K4FBX9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 576 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.4	Very low	35.5	Very low	236 Å²	236	164.7 Å²	164.7	100%	1.163	80%	0.795	S	S	*	*				0	124.6	0	-86.3	174.2	176.3	0	0	108.5
2	F	36.9	Very low	34.9	Very low	174 Å²	174	159.3 Å²	159.3	76%	0.763	79%	0.787	S	S	*	*			trans	43.3	103.3	160.4	-75.6	-96.2	0	0	0	119.8
3	K	35.5	Very low	35.2	Very low	187 Å²	187	162.3 Å²	162.3	81%	0.813	79%	0.793	S	S	*	*				77	133.7	96.7	-75.2	-167.6	-171	179.5	0	112.2
4	S	41.2	Very low	34.9	Very low	111 Å²	111	167 Å²	167	78%	0.776	80%	0.798	S	S	*	*			cis	-153.3	156.6	24.3	62	0	0	0	0	112.4
5	R	33.3	Very low	35.1	Very low	216 Å²	216	169.3 Å²	169.3	82%	0.815	80%	0.803	S	S	*	*			trans	-92.3	150.3	167.6	-78.5	178.1	168.2	-178.8	-5.2	109.8
6	V	41.5	Very low	35.1	Very low	132 Å²	132	168.4 Å²	168.4	80%	0.8	80%	0.804	S	S	*	*			trans	-125.3	120.6	149.2	180	0	0	0	0	107.7
7	N	32.2	Very low	35.5	Very low	109 Å²	109	164.4 Å²	164.4	58%	0.583	80%	0.795	S	S	*	*			trans	-94.2	142	173.6	-85.3	-16.5	0	0	0	109
8	F	31.7	Very low	35.7	Very low	189 Å²	189	164.1 Å²	164.1	83%	0.829	80%	0.798	S	S	*	*			trans	-118.9	119.9	149	-98.2	-85.8	0	0	0	108.8
9	I	31.2	Very low	35.6	Very low	131 Å²	131	164.1 Å²	164.1	67%	0.672	80%	0.796	S	S	*	*			trans	-101.5	122.5	172.9	-67.7	168.5	0	0	0	105.7	I11	I9-I11 HydrophobicContact CG2-CG1 4.34Å
10	F	34.3	Very low	35.6	Very low	199 Å²	199	163.2 Å²	163.2	87%	0.873	79%	0.794	S	S	*	*			trans	-105.3	128.6	159.3	-99.3	-84.7	0	0	0	109.5
11	I	34.1	Very low	35.6	Very low	128 Å²	128	162.8 Å²	162.8	66%	0.656	79%	0.791	S	S	*	*			trans	-79.5	129.3	-169.2	-67.4	162.6	0	0	0	109.5	I9 F13	I9-I11 HydrophobicContact CG2-CG1 4.34Å; I11-F13 HydrophobicContact CG2-CD2 3.9Å; I11-F13 HydrophobicContact CG2-CE2 3.74Å
12	S	28.7	Very low	35.2	Very low	100 Å²	100	157 Å²	157	70%	0.699	77%	0.769	S	S	*	*			trans	-82.9	130.1	166.5	130.8	0	0	0	0	109.7
13	F	38.6	Very low	34.9	Very low	198 Å²	198	156.1 Å²	156.1	87%	0.868	77%	0.77	S	S	*	*			trans	-108	113	159.8	-88	-82.7	0	0	0	110.3	I11	I11-F13 HydrophobicContact CG2-CD2 3.9Å; I11-F13 HydrophobicContact CG2-CE2 3.74Å
14	R	31.1	Very low	34.7	Very low	228 Å²	228	151.9 Å²	151.9	86%	0.86	77%	0.765	S	S	*	*			trans	-91.1	141	158.6	-89	-177.7	171.9	-169.6	-1.7	109.4
15	K	37.8	Very low	34.2	Very low	201 Å²	201	154 Å²	154	87%	0.874	77%	0.767	S	S	*	*			trans	167.9	139.1	146.7	-97.5	177.2	-177.9	-172.6	0	107.1
16	L	35.9	Very low	34.3	Very low	156 Å²	156	153 Å²	153	82%	0.817	77%	0.768	S	S	*	*			cis	-169.4	161.7	-14.5	-140.3	107.1	0	0	0	103.9
17	P	41.1	Very low	33.7	Very low	100 Å²	100	153.4 Å²	153.4	65%	0.649	77%	0.771	S	S	*	*			trans	-94.3	163.3	-164.6	37.8	-34.3	0	0	0	114.2
18	N	39.8	Very low	33.9	Very low	158 Å²	158	158.9 Å²	158.9	85%	0.845	78%	0.784	S	S	*	*			trans	-161	107.2	152.4	-88.3	-25.5	0	0	0	107.1
19	Q	32.8	Very low	33.8	Very low	165 Å²	165	154.7 Å²	154.7	77%	0.771	78%	0.778	S	S	*	*				51.1	108.7	85	-74.9	-87.6	0.8	0	0	112.9
20	L	36.1	Very low	34	Very low	145 Å²	145	156.6 Å²	156.6	76%	0.759	79%	0.788	S	S	*	*				175.8	117.8	121	-87.4	160	0	0	0	112.6
21	H	35.1	Very low	34.1	Very low	156 Å²	156	151.4 Å²	151.4	72%	0.722	78%	0.783	S	S	*	*			trans	53.4	112.4	143.3	-73.5	-53.2	0	0	0	124.4
22	T	30.2	Very low	34	Very low	114 Å²	114	154.7 Å²	154.7	70%	0.699	79%	0.792	S	S	*	*				-14.1	137.5	129.7	41.4	0	0	0	0	117.5
23	I	30.6	Very low	34.3	Very low	155 Å²	155	158.1 Å²	158.1	80%	0.795	80%	0.801	S	S	*	*				170.4	136.4	115.1	-83.3	158.4	0	0	0	112.3
24	S	32.4	Very low	34.1	Very low	99 Å²	99	154 Å²	154	69%	0.692	79%	0.794	S	S	*	*			trans	67.8	113.7	152.1	76.4	0	0	0	0	123.4
25	N	30.1	Very low	34.5	Very low	156 Å²	156	148.3 Å²	148.3	83%	0.834	80%	0.795	S	S	*	*				20.1	116.3	117.6	-69.5	-21.9	0	0	0	117.9
26	K	34.5	Very low	34.3	Very low	193 Å²	193	144.3 Å²	144.3	84%	0.839	79%	0.793	S	S	*	*			trans	-158	101.4	138.8	-117	169.2	-173.7	172.6	0	111.7
27	V	30.2	Very low	34.5	Very low	142 Å²	142	142.1 Å²	142.1	86%	0.861	79%	0.788	S	S	*	*			trans	-62.1	130.9	153.9	173.4	0	0	0	0	107.7
28	R	36	Very low	34.2	Very low	223 Å²	223	143.3 Å²	143.3	84%	0.842	79%	0.793	S	S	*	*			trans	-129.2	108.9	160.4	-103.6	-175.9	175.1	179.2	-1.9	109.1
29	S	30.1	Very low	33.9	Very low	101 Å²	101	142.1 Å²	142.1	71%	0.706	79%	0.792	S	S	*	*			trans	-55	145.4	155.5	55.2	0	0	0	0	111.5
30	L	35.6	Very low	33.8	Very low	171 Å²	171	144.6 Å²	144.6	90%	0.895	80%	0.796	S	S	*	*			trans	172.8	134.9	149.9	-90.5	160.7	0	0	0	104.7
31	A	35.2	Very low	33.8	Very low	91 Å²	91	146.5 Å²	146.5	75%	0.752	80%	0.801	S	S	*	*			cis	-158.4	158.7	4.7	0	0	0	0	0	108.9
32	K	31.1	Very low	33.6	Very low	197 Å²	197	144.5 Å²	144.5	86%	0.857	80%	0.799	S	S	*	*			trans	-63.3	144	176.8	-62.9	168.1	172.7	177.7	0	112.6
33	I	35.8	Very low	33.7	Very low	171 Å²	171	148.4 Å²	148.4	88%	0.877	81%	0.807	S	S	*	*			trans	-140.3	119.8	141.9	-57	-179.6	0	0	0	107.9
34	P	33.6	Very low	33.8	Very low	113 Å²	113	148.7 Å²	148.7	73%	0.734	81%	0.809	S	S	*	*			trans	-107.2	144.3	167.4	35.9	-25	0	0	0	111.1
35	A	39.4	Very low	33.9	Very low	107 Å²	107	147.7 Å²	147.7	88%	0.884	82%	0.815	S	S	*	*			trans	-165.8	130.1	147.9	0	0	0	0	0	110.6
36	S	35.2	Very low	34.1	Very low	117 Å²	117	143.4 Å²	143.4	82%	0.818	81%	0.807	S	S	*	*			trans	-107.2	-167.1	-178.7	66	0	0	0	0	110.3
37	P	40.4	Very low	34.3	Very low	110 Å²	110	142.5 Å²	142.5	71%	0.714	81%	0.811	S	S	*	*				-122.5	-168.1	-118.4	27.3	-1.7	0	0	0	114.9
38	V	33.6	Very low	34.5	Very low	126 Å²	126	140.5 Å²	140.5	76%	0.764	80%	0.803	S	S	*	*			trans	86.3	126.3	162.2	-163.3	0	0	0	0	113.9
39	T	34.8	Very low	34.5	Very low	133 Å²	133	136.6 Å²	136.6	82%	0.816	81%	0.808	S	S	*	*				-173.3	150.2	74.8	-34.1	0	0	0	0	112
40	Y	30.3	Very low	34.9	Very low	216 Å²	216	135.3 Å²	135.3	85%	0.847	81%	0.811	S	S	*	*			trans	-64.2	145.8	172.4	-87.8	-104.4	0	0	0	113.8
41	Q	35.6	Very low	34.9	Very low	185 Å²	185	134.6 Å²	134.6	86%	0.864	81%	0.806	S	S	*	*			trans	-159.3	125.2	140.1	-116.9	174.9	-1.1	0	0	112.2
42	V	29.8	Very low	35.1	Very low	114 Å²	114	137.4 Å²	137.4	69%	0.691	81%	0.808	S	S	*	*			trans	-80.2	135.3	167.4	171.8	0	0	0	0	108.1
43	F	34	Very low	35.4	Very low	196 Å²	196	134 Å²	134	86%	0.86	80%	0.804	S	S	*	*			trans	-142.1	122.9	157	-126.2	-89.3	0	0	0	111.2
44	L	31.2	Very low	35.7	Very low	161 Å²	161	134.1 Å²	134.1	84%	0.843	80%	0.798	S	S	*	*			trans	-80.9	144	170.3	-90.7	117.3	0	0	0	110.8
45	G	36.2	Very low	35.8	Very low	79 Å²	79	132.7 Å²	132.7	81%	0.814	80%	0.796	S	S	*	*			trans	151	115.8	165	0	0	0	0	0	108.8
46	G	34.2	Very low	35.6	Very low	65 Å²	65	138.4 Å²	138.4	67%	0.67	80%	0.795	S	S	*	*			cis	120.6	112.1	24	0	0	0	0	0	107.7
47	L	37.8	Very low	35.8	Very low	175 Å²	175	139.6 Å²	139.6	92%	0.916	79%	0.791	S	S	*	*			trans	71	141.8	172.5	-63.2	121.6	0	0	0	116.8
48	S	33.6	Very low	35.8	Very low	100 Å²	100	138.8 Å²	138.8	70%	0.699	79%	0.787	S	S	*	*			cis	-178.8	158.7	-13.9	48.2	0	0	0	0	106.2
49	C	37.5	Very low	36	Very low	141 Å²	141	143.7 Å²	143.7	95%	0.953	79%	0.792	S	S	*	*			trans	101.4	114.4	158.5	-142	0	0	0	0	116.7
50	G	37.7	Very low	36.7	Very low	74 Å²	74	142.3 Å²	142.3	76%	0.763	79%	0.788	S	S	*	*			trans	141.7	70.3	168.9	0	0	0	0	0	114.1	L52	G50-L52 PolarHBondContact O-N 2.59Å
51	I	36.7	Very low	38.4	Very low	155 Å²	155	141.7 Å²	141.7	80%	0.795	79%	0.79	S	S	*	*			trans	-64.7	116.3	176.8	-67.1	160.9	0	0	0	110.4
52	L	39.4	Very low	40.3	Very low	151 Å²	151	142.3 Å²	142.3	79%	0.791	79%	0.789	S	S	*	*			trans	-140.4	74.6	152.7	-93	165.4	0	0	0	107.6	G50 F54	G50-L52 PolarHBondContact O-N 2.59Å; L52-F54 HydrophobicContact CD2-CE2 4.32Å; L52-F54 PolarHBondContact O-N 3.28Å
53	T	36.9	Very low	42.9	Very low	125 Å²	125	139.5 Å²	139.5	77%	0.767	77%	0.774	S	S	*	*			trans	-74.4	90.6	167.8	47.5	0	0	0	0	108.7	A55	T53-A55 VanDerWaalsContact C-N 3.26Å; T53-A55 PolarHBondContact O-N 3.4Å
54	F	41.6	Very low	45.6	Very low	173 Å²	173	136.2 Å²	136.2	76%	0.759	76%	0.756	S	S	*	*			trans	-70.7	91	156.2	-92.6	-87.6	0	0	0	107.7	L52 W56	L52-F54 HydrophobicContact CD2-CE2 4.32Å; L52-F54 PolarHBondContact O-N 3.28Å; F54-W56 VanDerWaalsContact C-N 3.28Å; F54-W56 PolarHBondContact O-N 2.95Å
55	A	35.9	Very low	48.6	Very low	83 Å²	83	132.9 Å²	132.9	69%	0.686	74%	0.738	S	S	*	*			trans	-67.8	92.5	163.2	0	0	0	0	0	107.7	T53 I57	T53-A55 VanDerWaalsContact C-N 3.26Å; T53-A55 PolarHBondContact O-N 3.4Å; A55-I57 PolarHBondContact O-N 3.17Å
56	W	35.8	Very low	51.3	Low	228 Å²	228	129.1 Å²	129.1	86%	0.864	70%	0.699	S	S	*	*			trans	-67.5	89.6	163.9	-118.4	69.2	0	0	0	107.2	F54 S58	F54-W56 VanDerWaalsContact C-N 3.28Å; F54-W56 PolarHBondContact O-N 2.95Å; W56-S58 PolarHBondContact O-N 3.08Å
57	I	38.1	Very low	54	Low	142 Å²	142	128.7 Å²	128.7	73%	0.728	68%	0.683	S	S	*	*			trans	-67.5	89.4	164.2	-60.7	171.9	0	0	0	105.4	A55 R59	A55-I57 PolarHBondContact O-N 3.17Å; I57-R59 VanDerWaalsContact C-N 3.26Å; I57-R59 PolarHBondContact O-N 3.44Å
58	S	40.7	Very low	56.3	Low	92 Å²	92	123.9 Å²	123.9	64%	0.643	66%	0.658	S	S	*	*			trans	-60.5	96.8	161.2	177.9	0	0	0	0	106.5	W56 S60	W56-S58 PolarHBondContact O-N 3.08Å; S58-S60 PolarHBondContact O-N 3.38Å
59	R	38.5	Very low	58.9	Low	229 Å²	229	126.1 Å²	126.1	86%	0.864	66%	0.658	S	S	*	*			trans	-62.4	94.5	164.8	-91.2	-178.3	161.1	-174.1	-4.3	106.2	I57 K61	I57-R59 VanDerWaalsContact C-N 3.26Å; I57-R59 PolarHBondContact O-N 3.44Å; R59-K61 PolarHBondContact O-N 3.43Å
60	S	49.8	Very low	61.5	Low	105 Å²	105	121.5 Å²	121.5	73%	0.734	62%	0.622	S	S	*	*			trans	-56.6	112	164.9	52.4	0	0	0	0	107	S58 K62	S58-S60 PolarHBondContact O-N 3.38Å; S60-K62 PolarHBondContact O-N 2.83Å
61	K	65.1	Low	64.1	Low	203 Å²	203	118 Å²	118	88%	0.883	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-57	125.4	169.8	-79.5	-177.2	176.9	179.6	0	106.5	R59	R59-K61 PolarHBondContact O-N 3.43Å
62	K	76.5	Confident	66.6	Low	197 Å²	197	112.8 Å²	112.8	86%	0.857	57%	0.566	S	S	*	*	P	Polyproline II helix	trans	-54.2	139.8	171.9	-72.7	-173.9	176.8	-175.5	0	108.6	S60	S60-K62 PolarHBondContact O-N 2.83Å
63	P	82.7	Confident	69.1	Low	55 Å²	55	111.2 Å²	111.2	36%	0.357	55%	0.554	S	S	.	*	P	Polyproline II helix	trans	-59.8	146.2	176.7	26.1	-33.1	0	0	0	110.3	I65 Y136 E139	P63-I65 PolarHBondContact O-N 3.25Å; P63-Y136 WeakPolarHBondContact CB-OH 3.4Å; P63-E139 HydrophobicContact CB-CG 3.94Å; P63-E139 HydrophobicContact CG-CG 4.11Å
64	R	92.4	Very high	71.8	Confident	128 Å²	128	107 Å²	107	48%	0.483	53%	0.526	S	S	.	.	P	Polyproline II helix	trans	-64.3	131.2	170.7	179.2	-174	177.4	170	5.7	107.7	I66 E70 G138 E139	R64-I66 HydrophobicContact CG-CD1 4.46Å; R64-I66 HydrophobicContact CG-CG1 3.99Å; R64-E70 IonicContact CZ-OE1 3.4Å; R64-E70 VanDerWaalsContact CZ-OE1 3.25Å; R64-E70 IonicContact NE-OE1 2.85Å; R64-E70 PolarHBondContact NE-OE1 3.11Å; R64-E70 IonicContact NH2-OE1 2.97Å; R64-E70 PolarHBondContact NH2-OE1 3.22Å; R64-G138 CarbonylContact O-C 3.59Å; R64-G138 WeakPolarHBondContact O-CA 3.37Å; R64-E139 PolarHBondContact O-N 2.85Å
65	I	93.2	Very high	74	Confident	91 Å²	91	102.9 Å²	102.9	47%	0.467	51%	0.512	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	130.6	171	-54.1	-56.1	0	0	0	107.6	P63 E139 D141	P63-I65 PolarHBondContact O-N 3.25Å; I65-E139 CarbonylContact C-O 3.59Å; I65-E139 WeakPolarHBondContact CA-O 3.49Å; I65-E139 HydrophobicContact CD1-CB 4.44Å; I65-D141 HydrophobicContact CG2-CB 3.88Å
66	I	92.1	Very high	76.5	Confident	0 Å²	0	100.4 Å²	100.4	0%	0	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	128.9	-176.7	-65.8	166.5	0	0	0	107.3	R64 E70 L71 W82 V89 I137 E139 L140 D141	R64-I66 HydrophobicContact CG-CD1 4.46Å; R64-I66 HydrophobicContact CG-CG1 3.99Å; I66-E70 HydrophobicContact CG2-CB 4.06Å; I66-E70 HydrophobicContact CG2-CG 4.08Å; I66-L71 HydrophobicContact CG2-CB 4.37Å; I66-W82 HydrophobicContact CD1-CE3 4.39Å; I66-W82 HydrophobicContact CD1-CZ3 3.95Å; I66-W82 HydrophobicContact CG1-CZ3 4.4Å; I66-W82 HydrophobicContact CG2-CE3 4.41Å; I66-W82 HydrophobicContact CG2-CZ3 4.14Å; I66-V89 HydrophobicContact CB-CG2 4.07Å; I66-V89 HydrophobicContact CD1-CB 3.73Å; I66-V89 HydrophobicContact CD1-CG1 3.79Å; I66-V89 HydrophobicContact CD1-CG2 4.02Å; I66-V89 HydrophobicContact CG2-CG2 4.18Å; I66-I137 HydrophobicContact CD1-CD1 3.75Å; I66-I137 HydrophobicContact CD1-CG1 3.98Å; I66-E139 PolarHBondContact N-O 3.04Å; I66-L140 CarbonylContact O-C 3.6Å; I66-L140 VanDerWaalsContact O-CA 3.28Å; I66-L140 WeakPolarHBondContact O-CA 3.49Å; I66-D141 PolarHBondContact O-N 3.33Å
67	T	91.7	Very high	78.9	Confident	55 Å²	55	93.5 Å²	93.5	34%	0.337	47%	0.465	S	S	.	.			trans	-81.6	162.8	175.9	65.6	0	0	0	0	110.9	E69 E70 L71 D144	T67-E69 PolarHBondContact O-N 3.42Å; T67-E70 PolarHBondContact O-N 3.01Å; T67-E70 WeakPolarHBondContact OG1-CB 3.43Å; T67-E70 PolarHBondContact OG1-N 3.33Å; T67-E70 VanDerWaalsContact OG1-N 3.13Å; T67-L71 PolarHBondContact O-N 3.27Å; T67-D144 WeakPolarHBondContact CA-OD2 3.39Å
68	L	85.9	Confident	81.3	Confident	74 Å²	74	94 Å²	94	39%	0.387	47%	0.465	S	S	.	.	H	α-helix	trans	-60.7	-35	172.3	-82.9	166.9	0	0	0	112.3	L71 A72 L140 D144	L68-L71 HydrophobicContact CD2-CD2 4.26Å; L68-L71 PolarHBondContact O-N 3.35Å; L68-A72 VanDerWaalsContact O-CB 3.32Å; L68-A72 WeakPolarHBondContact O-CB 3.23Å; L68-A72 PolarHBondContact O-N 3.3Å; L68-L140 HydrophobicContact CD2-CD2 4.36Å; L68-D144 HydrophobicContact CB-CB 4.38Å; L68-D144 HydrophobicContact CD1-CB 3.58Å; L68-D144 WeakPolarHBondContact CD1-O 3.41Å; L68-D144 HydrophobicContact CG-CB 3.69Å; L68-D144 PolarHBondContact N-OD2 3.1Å
69	E	88.1	Confident	83.6	Confident	148 Å²	148	95.9 Å²	95.9	69%	0.692	46%	0.463	S	S	*	.	H	α-helix	trans	-66.2	-40.7	176.4	-174.1	171.3	-175.8	0	0	111.5	T67 A72 Q73	T67-E69 PolarHBondContact O-N 3.42Å; E69-A72 PolarHBondContact O-N 3.2Å; E69-Q73 WeakPolarHBondContact O-CG 3.49Å; E69-Q73 PolarHBondContact O-N 3.11Å
70	E	93.6	Very high	86.2	Confident	43 Å²	43	85.3 Å²	85.3	20%	0.201	43%	0.425	C	S	.	.	H	α-helix	trans	-65.4	-46.5	173.4	-175.2	-178.1	165.7	0	0	110.9	R64 I66 T67 A72 Q73 H74 W82	R64-E70 IonicContact CZ-OE1 3.4Å; R64-E70 VanDerWaalsContact CZ-OE1 3.25Å; R64-E70 IonicContact NE-OE1 2.85Å; R64-E70 PolarHBondContact NE-OE1 3.11Å; R64-E70 IonicContact NH2-OE1 2.97Å; R64-E70 PolarHBondContact NH2-OE1 3.22Å; I66-E70 HydrophobicContact CG2-CB 4.06Å; I66-E70 HydrophobicContact CG2-CG 4.08Å; T67-E70 PolarHBondContact O-N 3.01Å; T67-E70 WeakPolarHBondContact OG1-CB 3.43Å; T67-E70 PolarHBondContact OG1-N 3.33Å; T67-E70 VanDerWaalsContact OG1-N 3.13Å; E70-A72 VanDerWaalsContact C-N 3.3Å; E70-A72 PolarHBondContact O-N 2.81Å; E70-Q73 WeakPolarHBondContact O-CB 3.36Å; E70-Q73 PolarHBondContact O-N 3.12Å; E70-H74 PolarHBondContact O-CD2 2.97Å; E70-H74 VanDerWaalsContact O-CD2 3.28Å; E70-W82 HydrophobicContact CG-CZ3 4.21Å
71	L	91.5	Very high	88.2	Confident	0 Å²	0	80.3 Å²	80.3	0%	0	39%	0.39	C	S	.	.	H	α-helix	trans	-54.1	-47.1	175.6	178.2	67.3	0	0	0	111.4	I66 T67 L68 Q73 H74 W82 S84 V89 G110 L140	I66-L71 HydrophobicContact CG2-CB 4.37Å; T67-L71 PolarHBondContact O-N 3.27Å; L68-L71 HydrophobicContact CD2-CD2 4.26Å; L68-L71 PolarHBondContact O-N 3.35Å; L71-Q73 PolarHBondContact O-N 2.81Å; L71-H74 PolarHBondContact O-N 2.92Å; L71-W82 HydrophobicContact CD1-CB 3.65Å; L71-S84 WeakPolarHBondContact CD2-OG 3.23Å; L71-V89 HydrophobicContact CD1-CG1 3.79Å; L71-G110 VanDerWaalsContact O-CA 3.28Å; L71-G110 WeakPolarHBondContact O-CA 3.26Å; L71-L140 HydrophobicContact CD2-CD2 4.25Å
72	A	89.3	Confident	89.7	Confident	47 Å²	47	71.2 Å²	71.2	39%	0.388	35%	0.35	S	S	.	.	H	α-helix	trans	-64.5	-22.1	-176.9	0	0	0	0	0	114.1	L68 E69 E70 H74 N75	L68-A72 VanDerWaalsContact O-CB 3.32Å; L68-A72 WeakPolarHBondContact O-CB 3.23Å; L68-A72 PolarHBondContact O-N 3.3Å; E69-A72 PolarHBondContact O-N 3.2Å; E70-A72 VanDerWaalsContact C-N 3.3Å; E70-A72 PolarHBondContact O-N 2.81Å; A72-H74 VanDerWaalsContact C-N 3.27Å; A72-N75 PolarHBondContact O-ND2 3.12Å
73	Q	91.8	Very high	90.6	Very high	117 Å²	117	62 Å²	62	55%	0.547	31%	0.311	S	S	.	.	H	α-helix	trans	-72	-22.9	174.9	-69.3	170.9	14.7	0	0	112.6	E69 E70 L71 N75	E69-Q73 WeakPolarHBondContact O-CG 3.49Å; E69-Q73 PolarHBondContact O-N 3.11Å; E70-Q73 WeakPolarHBondContact O-CB 3.36Å; E70-Q73 PolarHBondContact O-N 3.12Å; L71-Q73 PolarHBondContact O-N 2.81Å; Q73-N75 PolarHBondContact O-N 3.03Å
74	H	93.5	Very high	91	Very high	37 Å²	37	59.4 Å²	59.4	17%	0.171	29%	0.294	C	S	.	.			trans	-96.9	63.9	-179.6	-67.7	-79.4	0	0	0	111	E70 L71 A72 H79 G80 W82 G110	E70-H74 PolarHBondContact O-CD2 2.97Å; E70-H74 VanDerWaalsContact O-CD2 3.28Å; L71-H74 PolarHBondContact O-N 2.92Å; A72-H74 VanDerWaalsContact C-N 3.27Å; H74-H79 PolarHBondContact CE1-O 2.98Å; H74-H79 VanDerWaalsContact CE1-O 3.32Å; H74-H79 PolarHBondContact ND1-O 3.25Å; H74-G80 CarbonylContact C-O 3.51Å; H74-G80 WeakPolarHBondContact CA-O 3.44Å; H74-G80 WeakPolarHBondContact CB-O 3.31Å; H74-W82 HydrophobicContact CB-CB 3.59Å; H74-W82 HydrophobicContact CB-CD2 3.58Å; H74-W82 HydrophobicContact CB-CE3 4.08Å; H74-W82 HydrophobicContact CB-CG 3.36Å; H74-W82 AromaticContact CD2-CD2 3.43Å; H74-W82 VanDerWaalsContact CD2-CD2 3.43Å; H74-W82 AromaticContact CD2-CE2 3.68Å; H74-W82 AromaticContact CD2-CE3 3.25Å; H74-W82 AromaticContact CD2-CH2 3.57Å; H74-W82 AromaticContact CD2-CZ2 3.77Å; H74-W82 AromaticContact CD2-CZ3 3.33Å; H74-W82 WeakPolarHBondContact CD2-CZ3 3.3Å; H74-W82 AromaticContact CE1-CE2 3.73Å; H74-W82 AromaticContact CE1-CH2 3.8Å; H74-W82 AromaticContact CE1-CZ2 3.49Å; H74-W82 VanDerWaalsContact CE1-CZ2 3.49Å; H74-W82 WeakPolarHBondContact CE1-CZ2 3.33Å; H74-W82 AromaticContact CG-CD2 3.36Å; H74-W82 AromaticContact CG-CE2 3.54Å; H74-W82 AromaticContact CG-CE3 3.7Å; H74-W82 AromaticContact CG-CG 3.7Å; H74-W82 AromaticContact CG-NE1 3.93Å; H74-W82 AromaticContact ND1-CD2 3.91Å; H74-W82 AromaticContact ND1-CE2 3.56Å; H74-W82 AromaticContact ND1-CZ2 3.83Å; H74-W82 AromaticContact ND1-NE1 3.76Å; H74-W82 AromaticContact NE2-CE2 3.81Å; H74-W82 AromaticContact NE2-CE3 3.9Å; H74-W82 AromaticContact NE2-CH2 3.25Å; H74-W82 WeakPolarHBondContact NE2-CH2 3.45Å; H74-W82 AromaticContact NE2-CZ2 3.44Å; H74-W82 WeakPolarHBondContact NE2-CZ2 3.48Å; H74-W82 AromaticContact NE2-CZ3 3.51Å; H74-W82 PolarHBondContact O-N 3.36Å; H74-G110 PolarHBondContact O-N 3.14Å
75	N	87.8	Confident	91	Very high	87 Å²	87	53.8 Å²	53.8	47%	0.465	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	6.4	-172.6	65.8	15.8	0	0	0	115.3	A72 Q73 G80 A109	A72-N75 PolarHBondContact O-ND2 3.12Å; Q73-N75 PolarHBondContact O-N 3.03Å; N75-G80 PolarHBondContact N-O 3.29Å; N75-A109 HydrophobicContact CB-CB 4.38Å; N75-A109 VanDerWaalsContact O-CB 3.29Å; N75-A109 WeakPolarHBondContact O-CB 3.2Å
76	C	87.8	Confident	90.8	Very high	30 Å²	30	56.2 Å²	56.2	20%	0.203	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	165.8	-179.4	73.1	0	0	0	0	111.9	E78 H79 G80	C76-E78 WeakPolarHBondContact CB-OE2 3.22Å; C76-E78 PolarHBondContact O-N 3.28Å; C76-E78 PolarHBondContact SG-OE2 3.26Å; C76-H79 PolarHBondContact O-N 2.88Å; C76-H79 PolarHBondContact SG-ND1 3.35Å; C76-G80 PolarHBondContact N-O 3.4Å; C76-G80 CarbonylContact O-C 3.47Å; C76-G80 WeakPolarHBondContact O-CA 3.49Å; C76-G80 PolarHBondContact O-N 2.96Å
77	K	87.5	Confident	90.6	Very high	84 Å²	84	56.8 Å²	56.8	37%	0.365	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-29.8	-176.3	-74.5	-166.5	176.3	-168.7	0	113.3	V81 V96 D97	K77-V81 HydrophobicContact CG-CG2 4.34Å; K77-V96 VanDerWaalsContact CE-CG1 3.44Å; K77-D97 IonicContact NZ-OD1 3.25Å; K77-D97 PolarHBondContact NZ-OD1 2.81Å; K77-D97 IonicContact NZ-OD2 3.02Å; K77-D97 PolarHBondContact NZ-OD2 2.93Å
78	E	88.9	Confident	90.6	Very high	153 Å²	153	58.5 Å²	58.5	72%	0.715	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-38	-177.6	-62.6	71.2	-155.8	0	0	112.4	C76	C76-E78 WeakPolarHBondContact CB-OE2 3.22Å; C76-E78 PolarHBondContact O-N 3.28Å; C76-E78 PolarHBondContact SG-OE2 3.26Å
79	H	88.7	Confident	91.1	Very high	130 Å²	130	55 Å²	55	60%	0.602	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-9.4	-179.6	-56.6	121.7	0	0	0	112.8	H74 C76	H74-H79 PolarHBondContact CE1-O 2.98Å; H74-H79 VanDerWaalsContact CE1-O 3.32Å; H74-H79 PolarHBondContact ND1-O 3.25Å; C76-H79 PolarHBondContact O-N 2.88Å; C76-H79 PolarHBondContact SG-ND1 3.35Å
80	G	91.4	Very high	91.5	Very high	7 Å²	7	48.6 Å²	48.6	7%	0.072	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	103.3	144.4	-171	0	0	0	0	0	110.7	H74 N75 C76 T93	H74-G80 CarbonylContact C-O 3.51Å; H74-G80 WeakPolarHBondContact CA-O 3.44Å; H74-G80 WeakPolarHBondContact CB-O 3.31Å; N75-G80 PolarHBondContact N-O 3.29Å; C76-G80 PolarHBondContact N-O 3.4Å; C76-G80 CarbonylContact O-C 3.47Å; C76-G80 WeakPolarHBondContact O-CA 3.49Å; C76-G80 PolarHBondContact O-N 2.96Å; G80-T93 VanDerWaalsContact CA-OG1 3.26Å; G80-T93 WeakPolarHBondContact CA-OG1 3.41Å
81	V	93.6	Very high	91.6	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	95	178.2	-178.1	0	0	0	0	107.4	K77 V92 T93 V96 L106 A109	K77-V81 HydrophobicContact CG-CG2 4.34Å; V81-V92 HydrophobicContact CB-CG2 4.38Å; V81-V92 HydrophobicContact CG1-CG2 3.85Å; V81-V92 WeakPolarHBondContact O-CG2 3.46Å; V81-V92 PolarHBondContact O-N 3.23Å; V81-T93 PolarHBondContact N-OG1 2.82Å; V81-T93 PolarHBondContact O-N 2.91Å; V81-V96 HydrophobicContact CB-CG2 4.03Å; V81-V96 HydrophobicContact CG1-CG2 4.02Å; V81-V96 HydrophobicContact CG2-CG2 3.97Å; V81-L106 HydrophobicContact CG1-CD2 4.19Å; V81-L106 HydrophobicContact CG2-CD2 3.94Å; V81-A109 HydrophobicContact CG1-CB 3.76Å
82	W	95.8	Very high	91.8	Very high	13 Å²	13	49 Å²	49	5%	0.049	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	147.1	177.6	-64.5	4.9	0	0	0	110.3	I66 E70 L71 H74 V89 Y90 D91 G110 I137	I66-W82 HydrophobicContact CD1-CE3 4.39Å; I66-W82 HydrophobicContact CD1-CZ3 3.95Å; I66-W82 HydrophobicContact CG1-CZ3 4.4Å; I66-W82 HydrophobicContact CG2-CE3 4.41Å; I66-W82 HydrophobicContact CG2-CZ3 4.14Å; E70-W82 HydrophobicContact CG-CZ3 4.21Å; L71-W82 HydrophobicContact CD1-CB 3.65Å; H74-W82 HydrophobicContact CB-CB 3.59Å; H74-W82 HydrophobicContact CB-CD2 3.58Å; H74-W82 HydrophobicContact CB-CE3 4.08Å; H74-W82 HydrophobicContact CB-CG 3.36Å; H74-W82 AromaticContact CD2-CD2 3.43Å; H74-W82 VanDerWaalsContact CD2-CD2 3.43Å; H74-W82 AromaticContact CD2-CE2 3.68Å; H74-W82 AromaticContact CD2-CE3 3.25Å; H74-W82 AromaticContact CD2-CH2 3.57Å; H74-W82 AromaticContact CD2-CZ2 3.77Å; H74-W82 AromaticContact CD2-CZ3 3.33Å; H74-W82 WeakPolarHBondContact CD2-CZ3 3.3Å; H74-W82 AromaticContact CE1-CE2 3.73Å; H74-W82 AromaticContact CE1-CH2 3.8Å; H74-W82 AromaticContact CE1-CZ2 3.49Å; H74-W82 VanDerWaalsContact CE1-CZ2 3.49Å; H74-W82 WeakPolarHBondContact CE1-CZ2 3.33Å; H74-W82 AromaticContact CG-CD2 3.36Å; H74-W82 AromaticContact CG-CE2 3.54Å; H74-W82 AromaticContact CG-CE3 3.7Å; H74-W82 AromaticContact CG-CG 3.7Å; H74-W82 AromaticContact CG-NE1 3.93Å; H74-W82 AromaticContact ND1-CD2 3.91Å; H74-W82 AromaticContact ND1-CE2 3.56Å; H74-W82 AromaticContact ND1-CZ2 3.83Å; H74-W82 AromaticContact ND1-NE1 3.76Å; H74-W82 AromaticContact NE2-CE2 3.81Å; H74-W82 AromaticContact NE2-CE3 3.9Å; H74-W82 AromaticContact NE2-CH2 3.25Å; H74-W82 WeakPolarHBondContact NE2-CH2 3.45Å; H74-W82 AromaticContact NE2-CZ2 3.44Å; H74-W82 WeakPolarHBondContact NE2-CZ2 3.48Å; H74-W82 AromaticContact NE2-CZ3 3.51Å; H74-W82 PolarHBondContact O-N 3.36Å; W82-V89 HydrophobicContact CB-CG1 4.33Å; W82-V89 HydrophobicContact CE3-CG1 4.11Å; W82-Y90 CarbonylContact C-O 3.53Å; W82-Y90 VanDerWaalsContact CA-O 3.29Å; W82-Y90 WeakPolarHBondContact CA-O 3.33Å; W82-D91 VanDerWaalsContact CD1-CG 3.44Å; W82-D91 PolarHBondContact NE1-OD2 3.02Å; W82-G110 WeakPolarHBondContact O-CA 3.5Å; W82-G110 PolarHBondContact O-N 2.81Å; W82-I137 HydrophobicContact CD2-CD1 3.46Å; W82-I137 VanDerWaalsContact CD2-CD1 3.46Å; W82-I137 VanDerWaalsContact CE2-CD1 3.42Å; W82-I137 HydrophobicContact CE3-CD1 3.6Å; W82-I137 HydrophobicContact CG-CD1 4.14Å; W82-I137 HydrophobicContact CH2-CD1 3.74Å; W82-I137 HydrophobicContact CZ2-CD1 3.58Å; W82-I137 HydrophobicContact CZ3-CD1 3.74Å
83	V	94.6	Very high	92	Very high	4 Å²	4	48 Å²	48	2%	0.024	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	152.2	176.5	-63.2	0	0	0	0	109.5	V89 Y90 V92 A108 S111 V113	V83-V89 WeakPolarHBondContact O-CA 3.48Å; V83-Y90 PolarHBondContact N-O 2.76Å; V83-Y90 PolarHBondContact O-N 2.6Å; V83-V92 HydrophobicContact CG1-CG2 3.94Å; V83-V92 HydrophobicContact CG2-CG1 3.86Å; V83-V92 HydrophobicContact CG2-CG2 3.98Å; V83-A108 HydrophobicContact CG1-CB 4.29Å; V83-S111 WeakPolarHBondContact CA-O 3.43Å; V83-V113 HydrophobicContact CB-CG1 3.6Å; V83-V113 HydrophobicContact CG1-CG1 4.01Å; V83-V113 HydrophobicContact CG2-CG1 3.99Å
84	S	92.9	Very high	92	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	149.5	171.3	61.7	0	0	0	0	112.1	L71 K88 S111 D112 V113	L71-S84 WeakPolarHBondContact CD2-OG 3.23Å; S84-K88 CarbonylContact C-O 3.46Å; S84-K88 WeakPolarHBondContact CA-O 3.38Å; S84-S111 PolarHBondContact N-O 2.57Å; S84-D112 WeakPolarHBondContact O-CA 3.44Å; S84-D112 WeakPolarHBondContact OG-CA 3.45Å; S84-D112 VanDerWaalsContact OG-CB 3.31Å; S84-D112 WeakPolarHBondContact OG-CB 3.42Å; S84-D112 PolarHBondContact OG-N 2.97Å; S84-D112 PolarHBondContact OG-OD2 2.84Å; S84-V113 WeakPolarHBondContact O-CG2 3.41Å; S84-V113 PolarHBondContact O-N 3.03Å
85	F	91.8	Very high	91.8	Very high	10 Å²	10	48.4 Å²	48.4	4%	0.044	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	121	173.1	179.6	-118.2	0	0	0	109.5	G87 K88 Y90 V113 W117 Y124 L129 L132	F85-G87 VanDerWaalsContact C-N 3.27Å; F85-G87 PolarHBondContact O-N 3.46Å; F85-K88 PolarHBondContact N-O 3.43Å; F85-K88 PolarHBondContact O-N 2.97Å; F85-K88 VanDerWaalsContact O-N 3.14Å; F85-Y90 HydrophobicContact CB-CD2 4.47Å; F85-Y90 HydrophobicContact CB-CE2 3.78Å; F85-V113 HydrophobicContact CB-CG2 3.69Å; F85-V113 HydrophobicContact CD2-CG2 3.58Å; F85-V113 HydrophobicContact CG-CG2 3.92Å; F85-W117 HydrophobicContact CD1-CH2 4.43Å; F85-W117 HydrophobicContact CD1-CZ3 4.01Å; F85-W117 HydrophobicContact CD2-CE3 4Å; F85-W117 HydrophobicContact CD2-CZ3 4.19Å; F85-W117 HydrophobicContact CE1-CE3 4.21Å; F85-W117 HydrophobicContact CE1-CH2 4.44Å; F85-W117 AromaticContact CE1-CZ3 3.65Å; F85-W117 HydrophobicContact CE1-CZ3 3.65Å; F85-W117 HydrophobicContact CE2-CD2 4.36Å; F85-W117 AromaticContact CE2-CE3 3.54Å; F85-W117 HydrophobicContact CE2-CE3 3.54Å; F85-W117 AromaticContact CE2-CZ3 3.85Å; F85-W117 HydrophobicContact CE2-CZ3 3.85Å; F85-W117 HydrophobicContact CG-CZ3 4.26Å; F85-W117 AromaticContact CZ-CE3 3.65Å; F85-W117 HydrophobicContact CZ-CE3 3.65Å; F85-W117 AromaticContact CZ-CZ3 3.55Å; F85-W117 HydrophobicContact CZ-CZ3 3.55Å; F85-Y124 HydrophobicContact CE2-CD1 4.41Å; F85-Y124 AromaticContact CE2-CE1 3.66Å; F85-Y124 HydrophobicContact CE2-CE1 3.66Å; F85-Y124 AromaticContact CZ-CD1 3.95Å; F85-Y124 HydrophobicContact CZ-CD1 3.95Å; F85-Y124 AromaticContact CZ-CE1 3.6Å; F85-Y124 HydrophobicContact CZ-CE1 3.6Å; F85-L129 HydrophobicContact CE1-CD2 3.81Å; F85-L129 HydrophobicContact CZ-CD2 4.41Å; F85-L132 HydrophobicContact CB-CD2 4.12Å; F85-L132 HydrophobicContact CD1-CD2 3.97Å; F85-L132 HydrophobicContact CG-CD2 4.31Å
86	K	87.7	Confident	91.8	Very high	142 Å²	142	44.5 Å²	44.5	62%	0.617	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.2	45.8	-179.9	-62.5	-172.2	172.9	-170	0	112.7	K88	K86-K88 PolarHBondContact O-N 2.92Å
87	G	88.1	Confident	91.6	Very high	12 Å²	12	48.8 Å²	48.8	12%	0.124	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	76.9	2.5	175.9	0	0	0	0	0	114.7	F85 E139 L140 F145	F85-G87 VanDerWaalsContact C-N 3.27Å; F85-G87 PolarHBondContact O-N 3.46Å; G87-E139 CarbonylContact O-C 3.56Å; G87-E139 WeakPolarHBondContact O-CA 3.2Å; G87-L140 PolarHBondContact O-N 2.84Å; G87-F145 VanDerWaalsContact CA-CD2 3.47Å; G87-F145 VanDerWaalsContact CA-CE2 3.46Å
88	K	93.5	Very high	91.4	Very high	91 Å²	91	49.3 Å²	49.3	40%	0.396	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	146	172.9	-66.2	-176.4	177.5	-177.8	0	110.1	S84 F85 K86 Y90 Y136	S84-K88 CarbonylContact C-O 3.46Å; S84-K88 WeakPolarHBondContact CA-O 3.38Å; F85-K88 PolarHBondContact N-O 3.43Å; F85-K88 PolarHBondContact O-N 2.97Å; F85-K88 VanDerWaalsContact O-N 3.14Å; K86-K88 PolarHBondContact O-N 2.92Å; K88-Y90 HydrophobicContact CB-CE1 4.45Å; K88-Y90 HydrophobicContact CB-CE2 3.61Å; K88-Y90 VanDerWaalsContact CB-OH 3.32Å; K88-Y90 WeakPolarHBondContact CB-OH 3.27Å; K88-Y90 WeakPolarHBondContact CD-OH 3.4Å; K88-Y90 VanDerWaalsContact O-CE2 3.27Å; K88-Y90 WeakPolarHBondContact O-CE2 3.48Å; K88-Y136 HydrophobicContact CB-CD2 4.02Å; K88-Y136 HydrophobicContact CB-CE2 3.85Å; K88-Y136 HydrophobicContact CD-CD2 4.09Å; K88-Y136 HydrophobicContact CD-CE2 3.88Å; K88-Y136 HydrophobicContact CG-CD2 4.31Å; K88-Y136 HydrophobicContact CG-CE2 3.82Å
89	V	95.4	Very high	91.3	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	137.5	177.7	-174.6	0	0	0	0	110.2	I66 L71 W82 V83 I137 G138 L140	I66-V89 HydrophobicContact CB-CG2 4.07Å; I66-V89 HydrophobicContact CD1-CB 3.73Å; I66-V89 HydrophobicContact CD1-CG1 3.79Å; I66-V89 HydrophobicContact CD1-CG2 4.02Å; I66-V89 HydrophobicContact CG2-CG2 4.18Å; L71-V89 HydrophobicContact CD1-CG1 3.79Å; W82-V89 HydrophobicContact CB-CG1 4.33Å; W82-V89 HydrophobicContact CE3-CG1 4.11Å; V83-V89 WeakPolarHBondContact O-CA 3.48Å; V89-I137 HydrophobicContact CB-CG1 4.18Å; V89-I137 HydrophobicContact CG1-CD1 3.87Å; V89-I137 HydrophobicContact CG1-CG1 3.91Å; V89-I137 WeakPolarHBondContact O-CG1 3.44Å; V89-I137 PolarHBondContact O-N 2.92Å; V89-G138 PolarHBondContact N-O 3.47Å; V89-G138 PolarHBondContact O-N 2.96Å; V89-L140 HydrophobicContact CG2-CD2 3.86Å; V89-L140 HydrophobicContact CG2-CG 3.75Å
90	Y	96.6	Very high	90.9	Very high	14 Å²	14	39.5 Å²	39.5	6%	0.055	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	128.8	-175.6	-51	-93.9	0	0	0	110.3	W82 V83 F85 K88 V92 L132 Y135 Y136	W82-Y90 CarbonylContact C-O 3.53Å; W82-Y90 VanDerWaalsContact CA-O 3.29Å; W82-Y90 WeakPolarHBondContact CA-O 3.33Å; V83-Y90 PolarHBondContact N-O 2.76Å; V83-Y90 PolarHBondContact O-N 2.6Å; F85-Y90 HydrophobicContact CB-CD2 4.47Å; F85-Y90 HydrophobicContact CB-CE2 3.78Å; K88-Y90 HydrophobicContact CB-CE1 4.45Å; K88-Y90 HydrophobicContact CB-CE2 3.61Å; K88-Y90 VanDerWaalsContact CB-OH 3.32Å; K88-Y90 WeakPolarHBondContact CB-OH 3.27Å; K88-Y90 WeakPolarHBondContact CD-OH 3.4Å; K88-Y90 VanDerWaalsContact O-CE2 3.27Å; K88-Y90 WeakPolarHBondContact O-CE2 3.48Å; Y90-V92 PolarHBondContact O-N 3.18Å; Y90-L132 HydrophobicContact CD1-CD1 3.77Å; Y90-L132 HydrophobicContact CD1-CD2 4.4Å; Y90-L132 HydrophobicContact CD1-CG 3.63Å; Y90-L132 WeakPolarHBondContact CD1-O 3.47Å; Y90-L132 HydrophobicContact CD2-CD1 3.93Å; Y90-L132 HydrophobicContact CD2-CD2 4.14Å; Y90-L132 HydrophobicContact CD2-CG 4.1Å; Y90-L132 HydrophobicContact CE1-CD1 4.29Å; Y90-L132 HydrophobicContact CE1-CD2 4.11Å; Y90-L132 HydrophobicContact CE1-CG 3.65Å; Y90-L132 HydrophobicContact CE2-CD1 4.46Å; Y90-L132 HydrophobicContact CE2-CD2 3.86Å; Y90-L132 HydrophobicContact CE2-CG 4.14Å; Y90-L132 HydrophobicContact CG-CD1 3.55Å; Y90-L132 HydrophobicContact CG-CD2 4.4Å; Y90-L132 HydrophobicContact CG-CG 3.85Å; Y90-Y135 CarbonylContact C-O 3.48Å; Y90-Y135 WeakPolarHBondContact CA-O 3.28Å; Y90-Y136 HydrophobicContact CE1-CD2 4.16Å
91	D	96.6	Very high	90.2	Very high	48 Å²	48	39.8 Å²	39.8	26%	0.257	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.8	95.4	171	-173.8	-19.1	0	0	0	109.4	W82 T93 Y135 I137	W82-D91 VanDerWaalsContact CD1-CG 3.44Å; W82-D91 PolarHBondContact NE1-OD2 3.02Å; D91-T93 VanDerWaalsContact C-N 3.32Å; D91-T93 WeakPolarHBondContact OD1-CB 3.39Å; D91-T93 PolarHBondContact OD1-N 2.84Å; D91-T93 PolarHBondContact OD1-OG1 3.2Å; D91-Y135 PolarHBondContact N-O 3.04Å; D91-Y135 WeakPolarHBondContact O-CB 3.19Å; D91-Y135 WeakPolarHBondContact O-CD1 3.34Å; D91-I137 HydrophobicContact CB-CD1 4.15Å; D91-I137 HydrophobicContact CB-CG1 4.45Å; D91-I137 HydrophobicContact CB-CG2 3.64Å
92	V	94.5	Very high	89.5	Confident	3 Å²	3	40.9 Å²	40.9	2%	0.018	22%	0.219	C	C	.	.			trans	-94.1	14.8	-178.6	-62.8	0	0	0	0	112.2	V81 V83 Y90 N94 F95 V96 I105 L132 Y135	V81-V92 HydrophobicContact CB-CG2 4.38Å; V81-V92 HydrophobicContact CG1-CG2 3.85Å; V81-V92 WeakPolarHBondContact O-CG2 3.46Å; V81-V92 PolarHBondContact O-N 3.23Å; V83-V92 HydrophobicContact CG1-CG2 3.94Å; V83-V92 HydrophobicContact CG2-CG1 3.86Å; V83-V92 HydrophobicContact CG2-CG2 3.98Å; Y90-V92 PolarHBondContact O-N 3.18Å; V92-N94 VanDerWaalsContact C-N 3.26Å; V92-N94 PolarHBondContact O-N 2.97Å; V92-F95 HydrophobicContact CB-CB 4.13Å; V92-F95 WeakPolarHBondContact O-CA 3.24Å; V92-F95 WeakPolarHBondContact O-CB 3.49Å; V92-F95 PolarHBondContact O-N 2.91Å; V92-V96 WeakPolarHBondContact O-CG2 3.46Å; V92-V96 PolarHBondContact O-N 3.23Å; V92-V96 VanDerWaalsContact O-N 3.12Å; V92-I105 HydrophobicContact CB-CD1 4.39Å; V92-I105 HydrophobicContact CG2-CD1 4.14Å; V92-L132 HydrophobicContact CG1-CD1 4.19Å; V92-Y135 HydrophobicContact CG1-CG 4.24Å
93	T	93.6	Very high	88.8	Confident	27 Å²	27	44.8 Å²	44.8	17%	0.166	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-50.8	-46.7	-178.4	-53.2	0	0	0	0	111.9	G80 V81 D91 F95	G80-T93 VanDerWaalsContact CA-OG1 3.26Å; G80-T93 WeakPolarHBondContact CA-OG1 3.41Å; V81-T93 PolarHBondContact N-OG1 2.82Å; V81-T93 PolarHBondContact O-N 2.91Å; D91-T93 VanDerWaalsContact C-N 3.32Å; D91-T93 WeakPolarHBondContact OD1-CB 3.39Å; D91-T93 PolarHBondContact OD1-N 2.84Å; D91-T93 PolarHBondContact OD1-OG1 3.2Å; T93-F95 VanDerWaalsContact C-N 3.28Å; T93-F95 PolarHBondContact O-N 2.83Å
94	N	91.2	Very high	88.1	Confident	131 Å²	131	46.7 Å²	46.7	70%	0.701	25%	0.248	S	C	*	.	G	3₁₀ helix	trans	-79.2	-10	-179.9	-63.9	-37.8	0	0	0	113.5	V92	V92-N94 VanDerWaalsContact C-N 3.26Å; V92-N94 PolarHBondContact O-N 2.97Å
95	F	90.8	Very high	87.7	Confident	31 Å²	31	47.7 Å²	47.7	14%	0.136	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-93.5	-16.7	177.5	-171.5	-120.8	0	0	0	112.9	V92 T93 D97 D98 H99 I105 I131 Y135	V92-F95 HydrophobicContact CB-CB 4.13Å; V92-F95 WeakPolarHBondContact O-CA 3.24Å; V92-F95 WeakPolarHBondContact O-CB 3.49Å; V92-F95 PolarHBondContact O-N 2.91Å; T93-F95 VanDerWaalsContact C-N 3.28Å; T93-F95 PolarHBondContact O-N 2.83Å; F95-D97 PolarHBondContact O-N 2.96Å; F95-D98 HydrophobicContact CD2-CB 3.88Å; F95-D98 HydrophobicContact CE2-CB 4.03Å; F95-D98 CarbonylContact O-C 3.58Å; F95-D98 PolarHBondContact O-N 3Å; F95-H99 HydrophobicContact CD1-CB 4.45Å; F95-H99 HydrophobicContact CE1-CB 4.21Å; F95-H99 AromaticContact CE1-CD2 3.82Å; F95-H99 PolarHBondContact O-N 2.93Å; F95-I105 HydrophobicContact CD1-CD1 3.81Å; F95-I105 HydrophobicContact CE1-CD1 4.32Å; F95-I131 HydrophobicContact CD2-CG2 4.31Å; F95-I131 HydrophobicContact CE1-CG2 4.4Å; F95-I131 HydrophobicContact CE2-CG2 3.69Å; F95-I131 HydrophobicContact CZ-CG2 3.74Å; F95-Y135 HydrophobicContact CB-CD1 4.42Å; F95-Y135 HydrophobicContact CB-CE1 3.78Å; F95-Y135 HydrophobicContact CB-CE2 3.95Å; F95-Y135 AromaticContact CD2-CE2 3.96Å; F95-Y135 HydrophobicContact CD2-CE2 3.96Å; F95-Y135 AromaticContact CD2-CZ 3.83Å; F95-Y135 VanDerWaalsContact CD2-OH 3.3Å; F95-Y135 WeakPolarHBondContact CD2-OH 3.24Å; F95-Y135 AromaticContact CG-CE2 3.92Å; F95-Y135 HydrophobicContact CG-CE2 3.92Å; F95-Y135 AromaticContact CG-CZ 3.87Å
96	V	87.7	Confident	87.4	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.024	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-52.8	-43.7	-177.4	175	0	0	0	0	111.6	K77 V81 V92 D98 H99 I105 L106	K77-V96 VanDerWaalsContact CE-CG1 3.44Å; V81-V96 HydrophobicContact CB-CG2 4.03Å; V81-V96 HydrophobicContact CG1-CG2 4.02Å; V81-V96 HydrophobicContact CG2-CG2 3.97Å; V92-V96 WeakPolarHBondContact O-CG2 3.46Å; V92-V96 PolarHBondContact O-N 3.23Å; V92-V96 VanDerWaalsContact O-N 3.12Å; V96-D98 VanDerWaalsContact C-N 3.3Å; V96-D98 PolarHBondContact O-N 2.83Å; V96-H99 PolarHBondContact O-N 3.36Å; V96-I105 HydrophobicContact CB-CG2 4.25Å; V96-I105 HydrophobicContact CG1-CG2 3.87Å; V96-I105 HydrophobicContact CG2-CG2 4.17Å; V96-L106 HydrophobicContact CG1-CD2 3.85Å; V96-L106 HydrophobicContact CG1-CG 4.17Å; V96-L106 HydrophobicContact CG2-CD2 4.06Å
97	D	83.3	Confident	87.2	Confident	120 Å²	120	47.3 Å²	47.3	64%	0.642	26%	0.258	S	S	*	.	G	3₁₀ helix	trans	-74.4	-20.6	-178.4	-68	-43.5	0	0	0	113.6	K77 F95	K77-D97 IonicContact NZ-OD1 3.25Å; K77-D97 PolarHBondContact NZ-OD1 2.81Å; K77-D97 IonicContact NZ-OD2 3.02Å; K77-D97 PolarHBondContact NZ-OD2 2.93Å; F95-D97 PolarHBondContact O-N 2.96Å
98	D	83.5	Confident	87.1	Confident	95 Å²	95	47 Å²	47	51%	0.508	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-95.7	-7.3	178.2	-70.1	-27.9	0	0	0	112.7	F95 V96 P100	F95-D98 HydrophobicContact CD2-CB 3.88Å; F95-D98 HydrophobicContact CE2-CB 4.03Å; F95-D98 CarbonylContact O-C 3.58Å; F95-D98 PolarHBondContact O-N 3Å; V96-D98 VanDerWaalsContact C-N 3.3Å; V96-D98 PolarHBondContact O-N 2.83Å; D98-P100 WeakPolarHBondContact O-CD 3.15Å
99	H	86.6	Confident	87	Confident	27 Å²	27	43.5 Å²	43.5	13%	0.125	24%	0.242	C	C	.	.			trans	-68.6	124.5	-173.4	179.6	-113.1	0	0	0	111.4	F95 V96 G101 G102 I105 H123	F95-H99 HydrophobicContact CD1-CB 4.45Å; F95-H99 HydrophobicContact CE1-CB 4.21Å; F95-H99 AromaticContact CE1-CD2 3.82Å; F95-H99 PolarHBondContact O-N 2.93Å; V96-H99 PolarHBondContact O-N 3.36Å; H99-G101 VanDerWaalsContact CE1-CA 3.49Å; H99-G101 WeakPolarHBondContact CE1-CA 3.41Å; H99-G101 PolarHBondContact CE1-N 3.06Å; H99-G101 WeakPolarHBondContact ND1-CA 3.44Å; H99-G101 PolarHBondContact ND1-N 3.39Å; H99-G101 VanDerWaalsContact ND1-N 3.16Å; H99-G101 PolarHBondContact O-N 3.46Å; H99-G102 PolarHBondContact ND1-O 3.47Å; H99-G102 PolarHBondContact O-N 3.29Å; H99-I105 HydrophobicContact CB-CB 4.21Å; H99-I105 HydrophobicContact CB-CD1 4.02Å; H99-I105 HydrophobicContact CB-CG2 4.1Å; H99-H123 AromaticContact NE2-NE2 3.65Å
100	P	79	Confident	86.7	Confident	50 Å²	50	44 Å²	44	33%	0.325	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-22.4	179.6	-33.5	40.4	0	0	0	116.7	D98 G102 K275 F404	D98-P100 WeakPolarHBondContact O-CD 3.15Å; P100-G102 VanDerWaalsContact C-N 3.35Å; P100-K275 HydrophobicContact CG-CB 4.08Å; P100-K275 HydrophobicContact CG-CG 4.25Å; P100-F404 VanDerWaalsContact O-CZ 3.27Å; P100-F404 WeakPolarHBondContact O-CZ 3.34Å
101	G	77	Confident	86.4	Confident	13 Å²	13	45.3 Å²	45.3	13%	0.134	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.2	7	176.1	0	0	0	0	0	113.9	H99 K104 F404	H99-G101 VanDerWaalsContact CE1-CA 3.49Å; H99-G101 WeakPolarHBondContact CE1-CA 3.41Å; H99-G101 PolarHBondContact CE1-N 3.06Å; H99-G101 WeakPolarHBondContact ND1-CA 3.44Å; H99-G101 PolarHBondContact ND1-N 3.39Å; H99-G101 VanDerWaalsContact ND1-N 3.16Å; H99-G101 PolarHBondContact O-N 3.46Å; G101-K104 WeakPolarHBondContact O-CB 3.23Å; G101-K104 WeakPolarHBondContact O-CG 3.22Å; G101-K104 PolarHBondContact O-N 3Å; G101-F404 VanDerWaalsContact CA-CZ 3.45Å; G101-F404 WeakPolarHBondContact O-CD2 3.49Å; G101-F404 WeakPolarHBondContact O-CE2 3.26Å
102	G	79.4	Confident	86	Confident	24 Å²	24	45 Å²	45	25%	0.247	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	53.6	-137.8	-173.3	0	0	0	0	0	111.7	H99 P100 K104 I105	H99-G102 PolarHBondContact ND1-O 3.47Å; H99-G102 PolarHBondContact O-N 3.29Å; P100-G102 VanDerWaalsContact C-N 3.35Å; G102-K104 PolarHBondContact O-N 2.98Å; G102-I105 WeakPolarHBondContact O-CG2 3.43Å; G102-I105 PolarHBondContact O-N 3.47Å
103	D	80.4	Confident	85.8	Confident	95 Å²	95	45.2 Å²	45.2	51%	0.508	26%	0.259	S	S	.	.	G	3₁₀ helix	trans	-57.7	-12.9	-178.2	-59.4	-25.5	0	0	0	113.7	I105 L106 K425	D103-I105 PolarHBondContact O-N 3.37Å; D103-I105 VanDerWaalsContact O-N 3.15Å; D103-L106 HydrophobicContact CB-CD1 4.35Å; D103-L106 VanDerWaalsContact O-CB 3.28Å; D103-L106 WeakPolarHBondContact O-CB 3.43Å; D103-L106 PolarHBondContact O-N 3.23Å; D103-K425 IonicContact OD2-NZ 2.73Å; D103-K425 PolarHBondContact OD2-NZ 2.86Å
104	K	80.3	Confident	85.3	Confident	44 Å²	44	44.8 Å²	44.8	19%	0.191	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-58.8	-25.4	174.7	-67.9	-157.4	-176.9	-160.6	0	113.5	G101 G102 L106 L107 Y120 D334	G101-K104 WeakPolarHBondContact O-CB 3.23Å; G101-K104 WeakPolarHBondContact O-CG 3.22Å; G101-K104 PolarHBondContact O-N 3Å; G102-K104 PolarHBondContact O-N 2.98Å; K104-L106 PolarHBondContact O-N 2.92Å; K104-L107 HydrophobicContact CB-CD1 4.16Å; K104-L107 HydrophobicContact CG-CD1 4.41Å; K104-L107 VanDerWaalsContact O-CB 3.29Å; K104-L107 WeakPolarHBondContact O-CB 3.28Å; K104-L107 WeakPolarHBondContact O-CD1 3.43Å; K104-L107 WeakPolarHBondContact O-CG 3.2Å; K104-L107 PolarHBondContact O-N 3.22Å; K104-Y120 PolarHBondContact NZ-OH 2.83Å; K104-D334 IonicContact NZ-OD2 3.37Å; K104-D334 PolarHBondContact NZ-OD2 3.09Å
105	I	84.6	Confident	84.5	Confident	21 Å²	21	40.8 Å²	40.8	11%	0.108	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-62.5	-30.7	174.6	-169.5	168.9	0	0	0	112.3	V92 F95 V96 H99 G102 D103 L107 A108	V92-I105 HydrophobicContact CB-CD1 4.39Å; V92-I105 HydrophobicContact CG2-CD1 4.14Å; F95-I105 HydrophobicContact CD1-CD1 3.81Å; F95-I105 HydrophobicContact CE1-CD1 4.32Å; V96-I105 HydrophobicContact CB-CG2 4.25Å; V96-I105 HydrophobicContact CG1-CG2 3.87Å; V96-I105 HydrophobicContact CG2-CG2 4.17Å; H99-I105 HydrophobicContact CB-CB 4.21Å; H99-I105 HydrophobicContact CB-CD1 4.02Å; H99-I105 HydrophobicContact CB-CG2 4.1Å; G102-I105 WeakPolarHBondContact O-CG2 3.43Å; G102-I105 PolarHBondContact O-N 3.47Å; D103-I105 PolarHBondContact O-N 3.37Å; D103-I105 VanDerWaalsContact O-N 3.15Å; I105-L107 PolarHBondContact O-N 3.27Å; I105-A108 PolarHBondContact O-N 3.22Å; I105-A108 VanDerWaalsContact O-N 3.16Å
106	L	86	Confident	84.1	Confident	61 Å²	61	41.2 Å²	41.2	32%	0.319	24%	0.241	S	C	.	.	G	3₁₀ helix	trans	-67.8	-18.5	-179	-61.5	174.6	0	0	0	112.3	V81 V96 D103 K104 A108 A109	V81-L106 HydrophobicContact CG1-CD2 4.19Å; V81-L106 HydrophobicContact CG2-CD2 3.94Å; V96-L106 HydrophobicContact CG1-CD2 3.85Å; V96-L106 HydrophobicContact CG1-CG 4.17Å; V96-L106 HydrophobicContact CG2-CD2 4.06Å; D103-L106 HydrophobicContact CB-CD1 4.35Å; D103-L106 VanDerWaalsContact O-CB 3.28Å; D103-L106 WeakPolarHBondContact O-CB 3.43Å; D103-L106 PolarHBondContact O-N 3.23Å; K104-L106 PolarHBondContact O-N 2.92Å; L106-A108 PolarHBondContact O-N 3.1Å; L106-A109 WeakPolarHBondContact O-CB 3.34Å; L106-A109 PolarHBondContact O-N 3.08Å; L106-A109 VanDerWaalsContact O-N 3.13Å
107	L	82.6	Confident	84	Confident	82 Å²	82	42 Å²	42	43%	0.429	24%	0.243	S	C	.	.	G	3₁₀ helix	trans	-61.8	-27.3	174.5	-62.7	168.2	0	0	0	112.4	K104 I105 F116 T336	K104-L107 HydrophobicContact CB-CD1 4.16Å; K104-L107 HydrophobicContact CG-CD1 4.41Å; K104-L107 VanDerWaalsContact O-CB 3.29Å; K104-L107 WeakPolarHBondContact O-CB 3.28Å; K104-L107 WeakPolarHBondContact O-CD1 3.43Å; K104-L107 WeakPolarHBondContact O-CG 3.2Å; K104-L107 PolarHBondContact O-N 3.22Å; I105-L107 PolarHBondContact O-N 3.27Å; L107-F116 HydrophobicContact CB-CD1 4.47Å; L107-F116 HydrophobicContact CB-CE1 3.76Å; L107-F116 HydrophobicContact CB-CZ 4.13Å; L107-F116 WeakPolarHBondContact O-CZ 3.32Å; L107-T336 HydrophobicContact CD1-CG2 3.47Å; L107-T336 VanDerWaalsContact CD1-CG2 3.47Å; L107-T336 HydrophobicContact CD2-CG2 4.02Å; L107-T336 HydrophobicContact CG-CG2 4.27Å
108	A	86.5	Confident	83.7	Confident	7 Å²	7	37.4 Å²	37.4	6%	0.058	22%	0.221	C	C	.	.	G	3₁₀ helix	trans	-96.4	0.1	178.5	0	0	0	0	0	113.4	V83 I105 L106 G110 S111 V113 F116	V83-A108 HydrophobicContact CG1-CB 4.29Å; I105-A108 PolarHBondContact O-N 3.22Å; I105-A108 VanDerWaalsContact O-N 3.16Å; L106-A108 PolarHBondContact O-N 3.1Å; A108-G110 PolarHBondContact O-N 3.02Å; A108-S111 VanDerWaalsContact C-OG 3.25Å; A108-S111 WeakPolarHBondContact CA-OG 3.28Å; A108-S111 PolarHBondContact O-N 3.48Å; A108-S111 PolarHBondContact O-OG 3.16Å; A108-V113 HydrophobicContact CB-CG1 4.04Å; A108-F116 HydrophobicContact CB-CD2 3.61Å; A108-F116 HydrophobicContact CB-CE2 3.57Å; A108-F116 HydrophobicContact CB-CG 4.35Å; A108-F116 HydrophobicContact CB-CZ 4.3Å
109	A	90.6	Very high	83.2	Confident	16 Å²	16	33.6 Å²	33.6	13%	0.132	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.8	126.1	-174.8	0	0	0	0	0	111.3	N75 V81 L106	N75-A109 HydrophobicContact CB-CB 4.38Å; N75-A109 VanDerWaalsContact O-CB 3.29Å; N75-A109 WeakPolarHBondContact O-CB 3.2Å; V81-A109 HydrophobicContact CG1-CB 3.76Å; L106-A109 WeakPolarHBondContact O-CB 3.34Å; L106-A109 PolarHBondContact O-N 3.08Å; L106-A109 VanDerWaalsContact O-N 3.13Å
110	G	90.1	Very high	82.8	Confident	12 Å²	12	34.3 Å²	34.3	12%	0.124	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	74.9	17.5	-175.6	0	0	0	0	0	115	L71 H74 W82 A108	L71-G110 VanDerWaalsContact O-CA 3.28Å; L71-G110 WeakPolarHBondContact O-CA 3.26Å; H74-G110 PolarHBondContact O-N 3.14Å; W82-G110 WeakPolarHBondContact O-CA 3.5Å; W82-G110 PolarHBondContact O-N 2.81Å; A108-G110 PolarHBondContact O-N 3.02Å
111	S	90.5	Very high	82.7	Confident	40 Å²	40	32.6 Å²	32.6	28%	0.28	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	176.8	-176.7	70.3	0	0	0	0	113.4	V83 S84 A108	V83-S111 WeakPolarHBondContact CA-O 3.43Å; S84-S111 PolarHBondContact N-O 2.57Å; A108-S111 VanDerWaalsContact C-OG 3.25Å; A108-S111 WeakPolarHBondContact CA-OG 3.28Å; A108-S111 PolarHBondContact O-N 3.48Å; A108-S111 PolarHBondContact O-OG 3.16Å
112	D	88.8	Confident	82.7	Confident	42 Å²	42	34.1 Å²	34.1	23%	0.225	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	135.2	172.1	-170.6	-77	0	0	0	111.1	S84 S114	S84-D112 WeakPolarHBondContact O-CA 3.44Å; S84-D112 WeakPolarHBondContact OG-CA 3.45Å; S84-D112 VanDerWaalsContact OG-CB 3.31Å; S84-D112 WeakPolarHBondContact OG-CB 3.42Å; S84-D112 PolarHBondContact OG-N 2.97Å; S84-D112 PolarHBondContact OG-OD2 2.84Å; D112-S114 VanDerWaalsContact C-N 3.33Å; D112-S114 WeakPolarHBondContact OD1-CA 3.34Å; D112-S114 WeakPolarHBondContact OD1-CB 3.08Å; D112-S114 PolarHBondContact OD1-N 3.36Å; D112-S114 PolarHBondContact OD1-OG 2.83Å
113	V	89	Confident	83	Confident	8 Å²	8	34.7 Å²	34.7	5%	0.048	19%	0.192	C	C	.	.	S	Bend	trans	-81.8	-9.2	-175.6	-55.2	0	0	0	0	113.6	V83 S84 F85 A108 S115 F116 W117	V83-V113 HydrophobicContact CB-CG1 3.6Å; V83-V113 HydrophobicContact CG1-CG1 4.01Å; V83-V113 HydrophobicContact CG2-CG1 3.99Å; S84-V113 WeakPolarHBondContact O-CG2 3.41Å; S84-V113 PolarHBondContact O-N 3.03Å; F85-V113 HydrophobicContact CB-CG2 3.69Å; F85-V113 HydrophobicContact CD2-CG2 3.58Å; F85-V113 HydrophobicContact CG-CG2 3.92Å; A108-V113 HydrophobicContact CB-CG1 4.04Å; V113-S115 VanDerWaalsContact C-N 3.31Å; V113-S115 PolarHBondContact O-N 2.64Å; V113-F116 CarbonylContact O-C 3.57Å; V113-F116 PolarHBondContact O-N 2.78Å; V113-F116 VanDerWaalsContact O-N 3.08Å; V113-W117 HydrophobicContact CB-CD2 4.47Å; V113-W117 HydrophobicContact CB-CG 4.21Å; V113-W117 HydrophobicContact CG2-CD2 3.74Å; V113-W117 HydrophobicContact CG2-CE3 4.39Å; V113-W117 HydrophobicContact CG2-CG 3.88Å; V113-W117 HydrophobicContact CG2-CZ2 4.2Å; V113-W117 WeakPolarHBondContact O-CB 3.34Å; V113-W117 PolarHBondContact O-N 3.01Å
114	S	83.7	Confident	83.1	Confident	18 Å²	18	34.4 Å²	34.4	13%	0.126	18%	0.184	C	C	.	.	H	α-helix	trans	-59.3	-40.2	-169.4	-59.8	0	0	0	0	112.2	D112 W117 S118	D112-S114 VanDerWaalsContact C-N 3.33Å; D112-S114 WeakPolarHBondContact OD1-CA 3.34Å; D112-S114 WeakPolarHBondContact OD1-CB 3.08Å; D112-S114 PolarHBondContact OD1-N 3.36Å; D112-S114 PolarHBondContact OD1-OG 2.83Å; S114-W117 PolarHBondContact O-N 3.01Å; S114-S118 WeakPolarHBondContact O-CB 3.28Å; S114-S118 PolarHBondContact O-N 3.01Å
115	S	74.3	Confident	83.2	Confident	47 Å²	47	34.9 Å²	34.9	33%	0.329	19%	0.187	S	C	.	.	H	α-helix	trans	-61.2	-45.3	175	60.4	0	0	0	0	111.9	V113 S118	V113-S115 VanDerWaalsContact C-N 3.31Å; V113-S115 PolarHBondContact O-N 2.64Å; S115-S118 PolarHBondContact O-OG 2.92Å
116	F	82.9	Confident	83.2	Confident	39 Å²	39	37.9 Å²	37.9	17%	0.171	21%	0.21	C	C	.	.	H	α-helix	trans	-68.7	-39	175.8	-57.4	-81.6	0	0	0	112.5	L107 A108 V113 V119 Y120	L107-F116 HydrophobicContact CB-CD1 4.47Å; L107-F116 HydrophobicContact CB-CE1 3.76Å; L107-F116 HydrophobicContact CB-CZ 4.13Å; L107-F116 WeakPolarHBondContact O-CZ 3.32Å; A108-F116 HydrophobicContact CB-CD2 3.61Å; A108-F116 HydrophobicContact CB-CE2 3.57Å; A108-F116 HydrophobicContact CB-CG 4.35Å; A108-F116 HydrophobicContact CB-CZ 4.3Å; V113-F116 CarbonylContact O-C 3.57Å; V113-F116 PolarHBondContact O-N 2.78Å; V113-F116 VanDerWaalsContact O-N 3.08Å; F116-V119 PolarHBondContact O-N 2.77Å; F116-Y120 WeakPolarHBondContact O-CD2 3.17Å; F116-Y120 PolarHBondContact O-N 2.81Å
117	W	85.4	Confident	83	Confident	21 Å²	21	38.8 Å²	38.8	8%	0.08	21%	0.212	C	C	.	.	H	α-helix	trans	-72.8	-30.3	-179.8	-79	29.5	0	0	0	111.6	F85 V113 S114 V119 Y120 A121 H123 Y124 L129 L132	F85-W117 HydrophobicContact CD1-CH2 4.43Å; F85-W117 HydrophobicContact CD1-CZ3 4.01Å; F85-W117 HydrophobicContact CD2-CE3 4Å; F85-W117 HydrophobicContact CD2-CZ3 4.19Å; F85-W117 HydrophobicContact CE1-CE3 4.21Å; F85-W117 HydrophobicContact CE1-CH2 4.44Å; F85-W117 AromaticContact CE1-CZ3 3.65Å; F85-W117 HydrophobicContact CE1-CZ3 3.65Å; F85-W117 HydrophobicContact CE2-CD2 4.36Å; F85-W117 AromaticContact CE2-CE3 3.54Å; F85-W117 HydrophobicContact CE2-CE3 3.54Å; F85-W117 AromaticContact CE2-CZ3 3.85Å; F85-W117 HydrophobicContact CE2-CZ3 3.85Å; F85-W117 HydrophobicContact CG-CZ3 4.26Å; F85-W117 AromaticContact CZ-CE3 3.65Å; F85-W117 HydrophobicContact CZ-CE3 3.65Å; F85-W117 AromaticContact CZ-CZ3 3.55Å; F85-W117 HydrophobicContact CZ-CZ3 3.55Å; V113-W117 HydrophobicContact CB-CD2 4.47Å; V113-W117 HydrophobicContact CB-CG 4.21Å; V113-W117 HydrophobicContact CG2-CD2 3.74Å; V113-W117 HydrophobicContact CG2-CE3 4.39Å; V113-W117 HydrophobicContact CG2-CG 3.88Å; V113-W117 HydrophobicContact CG2-CZ2 4.2Å; V113-W117 WeakPolarHBondContact O-CB 3.34Å; V113-W117 PolarHBondContact O-N 3.01Å; S114-W117 PolarHBondContact O-N 3.01Å; W117-V119 PolarHBondContact O-N 3.41Å; W117-Y120 CarbonylContact O-C 3.46Å; W117-A121 WeakPolarHBondContact O-CA 3.31Å; W117-A121 PolarHBondContact O-N 2.91Å; W117-H123 HydrophobicContact CB-CB 4.38Å; W117-H123 AromaticContact CD1-CG 3.83Å; W117-H123 AromaticContact CD1-ND1 3.92Å; W117-H123 HydrophobicContact CD2-CB 3.26Å; W117-H123 AromaticContact CE2-CG 3.8Å; W117-H123 HydrophobicContact CE3-CB 3.66Å; W117-H123 HydrophobicContact CG-CB 3.6Å; W117-H123 HydrophobicContact CH2-CB 4.12Å; W117-H123 HydrophobicContact CZ2-CB 3.79Å; W117-H123 HydrophobicContact CZ3-CB 4.08Å; W117-H123 WeakPolarHBondContact CZ3-O 3.3Å; W117-H123 AromaticContact NE1-CD2 3.87Å; W117-H123 AromaticContact NE1-CG 3.63Å; W117-Y124 HydrophobicContact CB-CE2 3.88Å; W117-Y124 HydrophobicContact CE3-CD1 4.1Å; W117-Y124 HydrophobicContact CE3-CE1 4.07Å; W117-Y124 VanDerWaalsContact O-CE2 3.24Å; W117-Y124 WeakPolarHBondContact O-CE2 3.46Å; W117-L129 HydrophobicContact CH2-CD2 3.94Å; W117-L129 HydrophobicContact CZ3-CD2 3.54Å; W117-L132 HydrophobicContact CH2-CD2 3.51Å; W117-L132 HydrophobicContact CZ2-CD2 3.93Å; W117-L132 HydrophobicContact CZ3-CD2 4.41Å
118	S	76.6	Confident	83.2	Confident	24 Å²	24	35.9 Å²	35.9	17%	0.168	20%	0.198	C	C	.	.	H	α-helix	trans	-56.9	-36.8	171.5	79.2	0	0	0	0	110.6	S114 S115 Y155	S114-S118 WeakPolarHBondContact O-CB 3.28Å; S114-S118 PolarHBondContact O-N 3.01Å; S115-S118 PolarHBondContact O-OG 2.92Å; S118-Y155 WeakPolarHBondContact O-CE2 3.27Å
119	V	73.3	Confident	83.4	Confident	15 Å²	15	38 Å²	38	9%	0.091	21%	0.208	C	C	.	.	H	α-helix	trans	-83.8	-52.1	177.9	-173.2	0	0	0	0	112.2	F116 W117 A121 I154 Y155 L199 P335	F116-V119 PolarHBondContact O-N 2.77Å; W117-V119 PolarHBondContact O-N 3.41Å; V119-A121 PolarHBondContact O-N 3.18Å; V119-I154 HydrophobicContact CB-CD1 3.78Å; V119-I154 HydrophobicContact CG1-CD1 3.91Å; V119-I154 HydrophobicContact CG2-CD1 3.48Å; V119-I154 VanDerWaalsContact CG2-CD1 3.48Å; V119-Y155 PolarHBondContact O-OH 3.27Å; V119-L199 HydrophobicContact CG1-CD2 3.95Å; V119-P335 HydrophobicContact CB-CG 3.61Å; V119-P335 HydrophobicContact CG1-CG 3.85Å; V119-P335 HydrophobicContact CG2-CB 4.45Å; V119-P335 HydrophobicContact CG2-CG 3.34Å
120	Y	77.3	Confident	83.3	Confident	41 Å²	41	43.6 Å²	43.6	16%	0.161	23%	0.229	C	C	.	.	S	Bend	trans	-87	58.7	172	-59	-70.6	0	0	0	110.3	K104 F116 W117 F122 H123 L199 D334	K104-Y120 PolarHBondContact NZ-OH 2.83Å; F116-Y120 WeakPolarHBondContact O-CD2 3.17Å; F116-Y120 PolarHBondContact O-N 2.81Å; W117-Y120 CarbonylContact O-C 3.46Å; Y120-F122 PolarHBondContact O-N 2.76Å; Y120-H123 WeakPolarHBondContact CB-CE1 3.33Å; Y120-H123 VanDerWaalsContact CB-ND1 3.25Å; Y120-H123 WeakPolarHBondContact CB-ND1 3.3Å; Y120-H123 PolarHBondContact O-N 2.6Å; Y120-H123 PolarHBondContact O-ND1 3.34Å; Y120-L199 HydrophobicContact CE1-CD2 4.11Å; Y120-D334 WeakPolarHBondContact OH-CB 3.41Å; Y120-D334 PolarHBondContact OH-OD2 2.82Å
121	A	77.6	Confident	83.3	Confident	14 Å²	14	45 Å²	45	12%	0.116	23%	0.233	C	C	.	.	G	3₁₀ helix	trans	-58.7	-12.7	-172.5	0	0	0	0	0	114.9	W117 V119 H123 Y124 Y155 R171	W117-A121 WeakPolarHBondContact O-CA 3.31Å; W117-A121 PolarHBondContact O-N 2.91Å; V119-A121 PolarHBondContact O-N 3.18Å; A121-H123 PolarHBondContact O-N 3.37Å; A121-H123 VanDerWaalsContact O-N 3.16Å; A121-Y124 HydrophobicContact CB-CD2 4.21Å; A121-Y124 WeakPolarHBondContact O-CB 3.4Å; A121-Y124 WeakPolarHBondContact O-CD2 3.37Å; A121-Y124 PolarHBondContact O-N 2.93Å; A121-Y155 HydrophobicContact CB-CE2 4.04Å; A121-R171 CarbonylContact C-O 3.52Å; A121-R171 VanDerWaalsContact C-O 3.26Å; A121-R171 HydrophobicContact CB-CB 3.52Å; A121-R171 VanDerWaalsContact CB-O 3.25Å; A121-R171 WeakPolarHBondContact CB-O 3.5Å
122	F	77.5	Confident	83.4	Confident	45 Å²	45	43.8 Å²	43.8	20%	0.197	22%	0.224	C	C	.	.	G	3₁₀ helix	trans	-52.5	-29.6	165.1	-178.7	-97.8	0	0	0	113.4	Y120 Y124 Q125 H127 V128 R171 L277	Y120-F122 PolarHBondContact O-N 2.76Å; F122-Y124 PolarHBondContact O-N 2.8Å; F122-Q125 VanDerWaalsContact CD2-CD 3.49Å; F122-Q125 HydrophobicContact CD2-CG 4.19Å; F122-Q125 VanDerWaalsContact CE2-CD 3.4Å; F122-Q125 HydrophobicContact CE2-CG 4.37Å; F122-Q125 WeakPolarHBondContact O-CB 3.24Å; F122-Q125 VanDerWaalsContact O-CG 3.3Å; F122-Q125 WeakPolarHBondContact O-CG 3.4Å; F122-Q125 PolarHBondContact O-N 2.95Å; F122-H127 AromaticContact CE1-NE2 3.79Å; F122-H127 AromaticContact CE2-CE1 3.88Å; F122-H127 AromaticContact CZ-CE1 3.34Å; F122-H127 WeakPolarHBondContact CZ-CE1 3.21Å; F122-H127 AromaticContact CZ-NE2 3.39Å; F122-H127 WeakPolarHBondContact CZ-NE2 3.38Å; F122-V128 HydrophobicContact CD1-CG2 4.2Å; F122-V128 HydrophobicContact CE1-CG2 3.81Å; F122-V128 HydrophobicContact CZ-CG2 4.48Å; F122-R171 PolarHBondContact N-O 2.88Å; F122-L277 HydrophobicContact CD2-CD2 3.69Å; F122-L277 HydrophobicContact CE2-CD2 3.5Å; F122-L277 HydrophobicContact CE2-CG 4.29Å
123	H	85.7	Confident	83.6	Confident	37 Å²	37	47.8 Å²	47.8	17%	0.171	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-66.8	-18.5	178.5	-63.2	97.6	0	0	0	113.9	H99 W117 Y120 A121 Q125 V128	H99-H123 AromaticContact NE2-NE2 3.65Å; W117-H123 HydrophobicContact CB-CB 4.38Å; W117-H123 AromaticContact CD1-CG 3.83Å; W117-H123 AromaticContact CD1-ND1 3.92Å; W117-H123 HydrophobicContact CD2-CB 3.26Å; W117-H123 AromaticContact CE2-CG 3.8Å; W117-H123 HydrophobicContact CE3-CB 3.66Å; W117-H123 HydrophobicContact CG-CB 3.6Å; W117-H123 HydrophobicContact CH2-CB 4.12Å; W117-H123 HydrophobicContact CZ2-CB 3.79Å; W117-H123 HydrophobicContact CZ3-CB 4.08Å; W117-H123 WeakPolarHBondContact CZ3-O 3.3Å; W117-H123 AromaticContact NE1-CD2 3.87Å; W117-H123 AromaticContact NE1-CG 3.63Å; Y120-H123 WeakPolarHBondContact CB-CE1 3.33Å; Y120-H123 VanDerWaalsContact CB-ND1 3.25Å; Y120-H123 WeakPolarHBondContact CB-ND1 3.3Å; Y120-H123 PolarHBondContact O-N 2.6Å; Y120-H123 PolarHBondContact O-ND1 3.34Å; A121-H123 PolarHBondContact O-N 3.37Å; A121-H123 VanDerWaalsContact O-N 3.16Å; H123-Q125 PolarHBondContact O-N 3.38Å; H123-V128 HydrophobicContact CB-CG1 4.19Å; H123-V128 WeakPolarHBondContact O-CB 3.41Å
124	Y	82.5	Confident	83.8	Confident	89 Å²	89	54.1 Å²	54.1	35%	0.349	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-75.4	-5.1	172.5	-65.8	-73.3	0	0	0	113.5	F85 W117 A121 F122	F85-Y124 HydrophobicContact CE2-CD1 4.41Å; F85-Y124 AromaticContact CE2-CE1 3.66Å; F85-Y124 HydrophobicContact CE2-CE1 3.66Å; F85-Y124 AromaticContact CZ-CD1 3.95Å; F85-Y124 HydrophobicContact CZ-CD1 3.95Å; F85-Y124 AromaticContact CZ-CE1 3.6Å; F85-Y124 HydrophobicContact CZ-CE1 3.6Å; W117-Y124 HydrophobicContact CB-CE2 3.88Å; W117-Y124 HydrophobicContact CE3-CD1 4.1Å; W117-Y124 HydrophobicContact CE3-CE1 4.07Å; W117-Y124 VanDerWaalsContact O-CE2 3.24Å; W117-Y124 WeakPolarHBondContact O-CE2 3.46Å; A121-Y124 HydrophobicContact CB-CD2 4.21Å; A121-Y124 WeakPolarHBondContact O-CB 3.4Å; A121-Y124 WeakPolarHBondContact O-CD2 3.37Å; A121-Y124 PolarHBondContact O-N 2.93Å; F122-Y124 PolarHBondContact O-N 2.8Å
125	Q	82.6	Confident	84.3	Confident	54 Å²	54	55.6 Å²	55.6	25%	0.252	27%	0.271	S	S	.	.	S	Bend	trans	-66.9	141.2	176.5	-66.4	-165.3	6	0	0	111.5	F122 H123 H127 V128 L129	F122-Q125 VanDerWaalsContact CD2-CD 3.49Å; F122-Q125 HydrophobicContact CD2-CG 4.19Å; F122-Q125 VanDerWaalsContact CE2-CD 3.4Å; F122-Q125 HydrophobicContact CE2-CG 4.37Å; F122-Q125 WeakPolarHBondContact O-CB 3.24Å; F122-Q125 VanDerWaalsContact O-CG 3.3Å; F122-Q125 WeakPolarHBondContact O-CG 3.4Å; F122-Q125 PolarHBondContact O-N 2.95Å; H123-Q125 PolarHBondContact O-N 3.38Å; Q125-H127 PolarHBondContact O-N 2.83Å; Q125-H127 VanDerWaalsContact O-N 3.08Å; Q125-H127 PolarHBondContact OE1-CE1 3.37Å; Q125-V128 WeakPolarHBondContact O-CB 3.49Å; Q125-V128 PolarHBondContact O-N 3.39Å; Q125-L129 PolarHBondContact O-N 2.89Å; Q125-L129 VanDerWaalsContact O-N 3.15Å
126	S	83.4	Confident	85.3	Confident	83 Å²	83	57.4 Å²	57.4	58%	0.58	27%	0.271	S	S	*	.	H	α-helix	trans	-55.6	-33.3	-172.5	60.4	0	0	0	0	114.5	K130	S126-K130 WeakPolarHBondContact O-CG 3.35Å; S126-K130 PolarHBondContact O-N 3.28Å; S126-K130 VanDerWaalsContact O-N 3.13Å
127	H	82.3	Confident	86	Confident	81 Å²	81	57.9 Å²	57.9	38%	0.375	28%	0.275	S	S	.	.	H	α-helix	trans	-71.5	-29.3	177.8	75.1	-84.7	0	0	0	113	F122 Q125 I131	F122-H127 AromaticContact CE1-NE2 3.79Å; F122-H127 AromaticContact CE2-CE1 3.88Å; F122-H127 AromaticContact CZ-CE1 3.34Å; F122-H127 WeakPolarHBondContact CZ-CE1 3.21Å; F122-H127 AromaticContact CZ-NE2 3.39Å; F122-H127 WeakPolarHBondContact CZ-NE2 3.38Å; Q125-H127 PolarHBondContact O-N 2.83Å; Q125-H127 VanDerWaalsContact O-N 3.08Å; Q125-H127 PolarHBondContact OE1-CE1 3.37Å; H127-I131 WeakPolarHBondContact O-CG1 3.48Å; H127-I131 PolarHBondContact O-N 2.98Å
128	V	86.7	Confident	86.4	Confident	20 Å²	20	56.9 Å²	56.9	12%	0.121	27%	0.271	C	S	.	.	H	α-helix	trans	-75.5	-42.8	174.7	-177.1	0	0	0	0	110.2	F122 H123 Q125 K130 I131 L132	F122-V128 HydrophobicContact CD1-CG2 4.2Å; F122-V128 HydrophobicContact CE1-CG2 3.81Å; F122-V128 HydrophobicContact CZ-CG2 4.48Å; H123-V128 HydrophobicContact CB-CG1 4.19Å; H123-V128 WeakPolarHBondContact O-CB 3.41Å; Q125-V128 WeakPolarHBondContact O-CB 3.49Å; Q125-V128 PolarHBondContact O-N 3.39Å; V128-K130 VanDerWaalsContact C-N 3.29Å; V128-K130 PolarHBondContact O-N 2.93Å; V128-I131 WeakPolarHBondContact O-CA 3.43Å; V128-I131 WeakPolarHBondContact O-CB 3.35Å; V128-I131 PolarHBondContact O-N 2.81Å; V128-L132 PolarHBondContact O-N 2.99Å
129	L	89.9	Confident	87.2	Confident	52 Å²	52	59.2 Å²	59.2	27%	0.272	28%	0.28	S	S	.	.	H	α-helix	trans	-56.4	-42.7	174.7	-64.3	177.7	0	0	0	112	F85 W117 Q125 I131 L132 E133	F85-L129 HydrophobicContact CE1-CD2 3.81Å; F85-L129 HydrophobicContact CZ-CD2 4.41Å; W117-L129 HydrophobicContact CH2-CD2 3.94Å; W117-L129 HydrophobicContact CZ3-CD2 3.54Å; Q125-L129 PolarHBondContact O-N 2.89Å; Q125-L129 VanDerWaalsContact O-N 3.15Å; L129-I131 VanDerWaalsContact C-N 3.26Å; L129-I131 PolarHBondContact O-N 3.36Å; L129-L132 PolarHBondContact O-N 3.3Å; L129-E133 WeakPolarHBondContact O-CG 3.47Å; L129-E133 PolarHBondContact O-N 3.48Å
130	K	89.6	Confident	87.9	Confident	134 Å²	134	59 Å²	59	58%	0.583	28%	0.278	S	S	*	.	H	α-helix	trans	-63.4	-27.2	174.2	-74.3	177.1	-177.9	-175.8	0	114.1	S126 V128	S126-K130 WeakPolarHBondContact O-CG 3.35Å; S126-K130 PolarHBondContact O-N 3.28Å; S126-K130 VanDerWaalsContact O-N 3.13Å; V128-K130 VanDerWaalsContact C-N 3.29Å; V128-K130 PolarHBondContact O-N 2.93Å
131	I	89.7	Confident	88.3	Confident	40 Å²	40	59.8 Å²	59.8	21%	0.205	29%	0.285	C	S	.	.	H	α-helix	trans	-72.7	-48.8	172.7	-67.9	165.9	0	0	0	108.8	F95 H127 V128 L129 E133 K134 Y135	F95-I131 HydrophobicContact CD2-CG2 4.31Å; F95-I131 HydrophobicContact CE1-CG2 4.4Å; F95-I131 HydrophobicContact CE2-CG2 3.69Å; F95-I131 HydrophobicContact CZ-CG2 3.74Å; H127-I131 WeakPolarHBondContact O-CG1 3.48Å; H127-I131 PolarHBondContact O-N 2.98Å; V128-I131 WeakPolarHBondContact O-CA 3.43Å; V128-I131 WeakPolarHBondContact O-CB 3.35Å; V128-I131 PolarHBondContact O-N 2.81Å; L129-I131 VanDerWaalsContact C-N 3.26Å; L129-I131 PolarHBondContact O-N 3.36Å; I131-E133 VanDerWaalsContact C-N 3.32Å; I131-E133 PolarHBondContact O-N 3.47Å; I131-K134 WeakPolarHBondContact O-CB 2.89Å; I131-K134 PolarHBondContact O-N 3.47Å; I131-Y135 HydrophobicContact CG2-CE2 4.04Å; I131-Y135 VanDerWaalsContact O-CD2 3.24Å; I131-Y135 WeakPolarHBondContact O-CD2 3.07Å; I131-Y135 WeakPolarHBondContact O-CE2 3.45Å
132	L	92.6	Very high	88.2	Confident	16 Å²	16	68 Å²	68	8%	0.084	32%	0.318	C	S	.	.	H	α-helix	trans	-58.9	-41.4	-179.3	-176.3	64.4	0	0	0	112.3	F85 Y90 V92 W117 V128 L129 K134 Y135	F85-L132 HydrophobicContact CB-CD2 4.12Å; F85-L132 HydrophobicContact CD1-CD2 3.97Å; F85-L132 HydrophobicContact CG-CD2 4.31Å; Y90-L132 HydrophobicContact CD1-CD1 3.77Å; Y90-L132 HydrophobicContact CD1-CD2 4.4Å; Y90-L132 HydrophobicContact CD1-CG 3.63Å; Y90-L132 WeakPolarHBondContact CD1-O 3.47Å; Y90-L132 HydrophobicContact CD2-CD1 3.93Å; Y90-L132 HydrophobicContact CD2-CD2 4.14Å; Y90-L132 HydrophobicContact CD2-CG 4.1Å; Y90-L132 HydrophobicContact CE1-CD1 4.29Å; Y90-L132 HydrophobicContact CE1-CD2 4.11Å; Y90-L132 HydrophobicContact CE1-CG 3.65Å; Y90-L132 HydrophobicContact CE2-CD1 4.46Å; Y90-L132 HydrophobicContact CE2-CD2 3.86Å; Y90-L132 HydrophobicContact CE2-CG 4.14Å; Y90-L132 HydrophobicContact CG-CD1 3.55Å; Y90-L132 HydrophobicContact CG-CD2 4.4Å; Y90-L132 HydrophobicContact CG-CG 3.85Å; V92-L132 HydrophobicContact CG1-CD1 4.19Å; W117-L132 HydrophobicContact CH2-CD2 3.51Å; W117-L132 HydrophobicContact CZ2-CD2 3.93Å; W117-L132 HydrophobicContact CZ3-CD2 4.41Å; V128-L132 PolarHBondContact O-N 2.99Å; L129-L132 PolarHBondContact O-N 3.3Å; L132-K134 PolarHBondContact O-N 3.29Å; L132-Y135 PolarHBondContact O-N 3.17Å
133	E	92.8	Very high	88.1	Confident	125 Å²	125	70.4 Å²	70.4	58%	0.584	34%	0.341	S	S	*	.	G	3₁₀ helix	trans	-52.7	-29.5	178.5	-78.6	172.1	178.7	0	0	114	L129 I131 Y135 Y136	L129-E133 WeakPolarHBondContact O-CG 3.47Å; L129-E133 PolarHBondContact O-N 3.48Å; I131-E133 VanDerWaalsContact C-N 3.32Å; I131-E133 PolarHBondContact O-N 3.47Å; E133-Y135 PolarHBondContact O-N 2.9Å; E133-Y136 WeakPolarHBondContact O-CB 3.29Å; E133-Y136 PolarHBondContact O-N 3.44Å
134	K	92.9	Very high	87.2	Confident	141 Å²	141	70.7 Å²	70.7	61%	0.613	34%	0.343	S	S	*	.	G	3₁₀ helix	trans	-68.4	-20.4	178.9	-61.2	-179.9	-179.4	-176.7	0	113.6	I131 L132	I131-K134 WeakPolarHBondContact O-CB 2.89Å; I131-K134 PolarHBondContact O-N 3.47Å; L132-K134 PolarHBondContact O-N 3.29Å
135	Y	95	Very high	86.2	Confident	49 Å²	49	70 Å²	70	19%	0.192	34%	0.342	C	S	.	.	G	3₁₀ helix	trans	-101	5.8	-175	-62	-77.2	0	0	0	112.7	Y90 D91 V92 F95 I131 L132 E133 I137	Y90-Y135 CarbonylContact C-O 3.48Å; Y90-Y135 WeakPolarHBondContact CA-O 3.28Å; D91-Y135 PolarHBondContact N-O 3.04Å; D91-Y135 WeakPolarHBondContact O-CB 3.19Å; D91-Y135 WeakPolarHBondContact O-CD1 3.34Å; V92-Y135 HydrophobicContact CG1-CG 4.24Å; F95-Y135 HydrophobicContact CB-CD1 4.42Å; F95-Y135 HydrophobicContact CB-CE1 3.78Å; F95-Y135 HydrophobicContact CB-CE2 3.95Å; F95-Y135 AromaticContact CD2-CE2 3.96Å; F95-Y135 HydrophobicContact CD2-CE2 3.96Å; F95-Y135 AromaticContact CD2-CZ 3.83Å; F95-Y135 VanDerWaalsContact CD2-OH 3.3Å; F95-Y135 WeakPolarHBondContact CD2-OH 3.24Å; F95-Y135 AromaticContact CG-CE2 3.92Å; F95-Y135 HydrophobicContact CG-CE2 3.92Å; F95-Y135 AromaticContact CG-CZ 3.87Å; I131-Y135 HydrophobicContact CG2-CE2 4.04Å; I131-Y135 VanDerWaalsContact O-CD2 3.24Å; I131-Y135 WeakPolarHBondContact O-CD2 3.07Å; I131-Y135 WeakPolarHBondContact O-CE2 3.45Å; L132-Y135 PolarHBondContact O-N 3.17Å; E133-Y135 PolarHBondContact O-N 2.9Å; Y135-I137 PolarHBondContact O-N 3.47Å
136	Y	96.1	Very high	85	Confident	85 Å²	85	74 Å²	74	33%	0.333	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	129.9	-177.2	174.8	-99.6	0	0	0	112.7	P63 K88 Y90 E133 G138 E139	P63-Y136 WeakPolarHBondContact CB-OH 3.4Å; K88-Y136 HydrophobicContact CB-CD2 4.02Å; K88-Y136 HydrophobicContact CB-CE2 3.85Å; K88-Y136 HydrophobicContact CD-CD2 4.09Å; K88-Y136 HydrophobicContact CD-CE2 3.88Å; K88-Y136 HydrophobicContact CG-CD2 4.31Å; K88-Y136 HydrophobicContact CG-CE2 3.82Å; Y90-Y136 HydrophobicContact CE1-CD2 4.16Å; E133-Y136 WeakPolarHBondContact O-CB 3.29Å; E133-Y136 PolarHBondContact O-N 3.44Å; Y136-G138 WeakPolarHBondContact CE2-O 3.24Å; Y136-E139 HydrophobicContact CE2-CG 4.48Å; Y136-E139 VanDerWaalsContact OH-CG 3.3Å; Y136-E139 WeakPolarHBondContact OH-CG 3.16Å
137	I	96	Very high	83.6	Confident	49 Å²	49	77.2 Å²	77.2	25%	0.251	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	-15.2	179.7	59.3	159.2	0	0	0	114.7	I66 W82 V89 D91 Y135	I66-I137 HydrophobicContact CD1-CD1 3.75Å; I66-I137 HydrophobicContact CD1-CG1 3.98Å; W82-I137 HydrophobicContact CD2-CD1 3.46Å; W82-I137 VanDerWaalsContact CD2-CD1 3.46Å; W82-I137 VanDerWaalsContact CE2-CD1 3.42Å; W82-I137 HydrophobicContact CE3-CD1 3.6Å; W82-I137 HydrophobicContact CG-CD1 4.14Å; W82-I137 HydrophobicContact CH2-CD1 3.74Å; W82-I137 HydrophobicContact CZ2-CD1 3.58Å; W82-I137 HydrophobicContact CZ3-CD1 3.74Å; V89-I137 HydrophobicContact CB-CG1 4.18Å; V89-I137 HydrophobicContact CG1-CD1 3.87Å; V89-I137 HydrophobicContact CG1-CG1 3.91Å; V89-I137 WeakPolarHBondContact O-CG1 3.44Å; V89-I137 PolarHBondContact O-N 2.92Å; D91-I137 HydrophobicContact CB-CD1 4.15Å; D91-I137 HydrophobicContact CB-CG1 4.45Å; D91-I137 HydrophobicContact CB-CG2 3.64Å; Y135-I137 PolarHBondContact O-N 3.47Å
138	G	94.4	Very high	82.2	Confident	0 Å²	0	78.1 Å²	78.1	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.5	-174.2	-176.6	0	0	0	0	0	113.9	R64 V89 Y136	R64-G138 CarbonylContact O-C 3.59Å; R64-G138 WeakPolarHBondContact O-CA 3.37Å; V89-G138 PolarHBondContact N-O 3.47Å; V89-G138 PolarHBondContact O-N 2.96Å; Y136-G138 WeakPolarHBondContact CE2-O 3.24Å
139	E	93.7	Very high	80.2	Confident	73 Å²	73	86 Å²	86	34%	0.341	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	146	175.8	-61.7	-177.8	-175.8	0	0	109.3	P63 R64 I65 I66 G87 Y136	P63-E139 HydrophobicContact CB-CG 3.94Å; P63-E139 HydrophobicContact CG-CG 4.11Å; R64-E139 PolarHBondContact O-N 2.85Å; I65-E139 CarbonylContact C-O 3.59Å; I65-E139 WeakPolarHBondContact CA-O 3.49Å; I65-E139 HydrophobicContact CD1-CB 4.44Å; I66-E139 PolarHBondContact N-O 3.04Å; G87-E139 CarbonylContact O-C 3.56Å; G87-E139 WeakPolarHBondContact O-CA 3.2Å; Y136-E139 HydrophobicContact CE2-CG 4.48Å; Y136-E139 VanDerWaalsContact OH-CG 3.3Å; Y136-E139 WeakPolarHBondContact OH-CG 3.16Å
140	L	87.7	Confident	78.2	Confident	12 Å²	12	90.9 Å²	90.9	6%	0.063	44%	0.436	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.7	147.7	169.9	-81.3	174.1	0	0	0	109.9	I66 L68 L71 G87 V89 K142	I66-L140 CarbonylContact O-C 3.6Å; I66-L140 VanDerWaalsContact O-CA 3.28Å; I66-L140 WeakPolarHBondContact O-CA 3.49Å; L68-L140 HydrophobicContact CD2-CD2 4.36Å; L71-L140 HydrophobicContact CD2-CD2 4.25Å; G87-L140 PolarHBondContact O-N 2.84Å; V89-L140 HydrophobicContact CG2-CD2 3.86Å; V89-L140 HydrophobicContact CG2-CG 3.75Å; L140-K142 PolarHBondContact O-N 2.79Å
141	D	85.8	Confident	76.5	Confident	56 Å²	56	88.2 Å²	88.2	30%	0.299	43%	0.428	S	S	.	.			trans	-56.6	139.3	168.9	-160.9	-62.2	0	0	0	110.1	I65 I66 S143 D144 F145	I65-D141 HydrophobicContact CG2-CB 3.88Å; I66-D141 PolarHBondContact O-N 3.33Å; D141-S143 PolarHBondContact O-N 2.91Å; D141-S143 PolarHBondContact OD1-N 2.74Å; D141-S143 PolarHBondContact OD1-OG 3.09Å; D141-S143 VanDerWaalsContact OD1-OG 3.1Å; D141-D144 HydrophobicContact CB-CB 4.29Å; D141-D144 WeakPolarHBondContact O-CA 3.4Å; D141-D144 WeakPolarHBondContact O-CB 3.42Å; D141-D144 PolarHBondContact O-N 3.12Å; D141-F145 PolarHBondContact O-N 3.47Å; D141-F145 VanDerWaalsContact O-N 3.08Å
142	K	75.6	Confident	75.3	Confident	187 Å²	187	94.7 Å²	94.7	81%	0.813	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-26.7	-177.9	-68	-174.6	178.4	-175	0	112.8	L140 D144	L140-K142 PolarHBondContact O-N 2.79Å; K142-D144 PolarHBondContact O-N 2.86Å
143	S	74.6	Confident	74.6	Confident	96 Å²	96	97.6 Å²	97.6	67%	0.671	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-24.1	173.3	61.5	0	0	0	0	112.6	D141	D141-S143 PolarHBondContact O-N 2.91Å; D141-S143 PolarHBondContact OD1-N 2.74Å; D141-S143 PolarHBondContact OD1-OG 3.09Å; D141-S143 VanDerWaalsContact OD1-OG 3.1Å
144	D	66.9	Low	74.3	Confident	43 Å²	43	94.4 Å²	94.4	23%	0.23	46%	0.46	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.6	-15.1	-175.3	-75.2	-0.2	0	0	0	111.9	T67 L68 D141 K142 I146	T67-D144 WeakPolarHBondContact CA-OD2 3.39Å; L68-D144 HydrophobicContact CB-CB 4.38Å; L68-D144 HydrophobicContact CD1-CB 3.58Å; L68-D144 WeakPolarHBondContact CD1-O 3.41Å; L68-D144 HydrophobicContact CG-CB 3.69Å; L68-D144 PolarHBondContact N-OD2 3.1Å; D141-D144 HydrophobicContact CB-CB 4.29Å; D141-D144 WeakPolarHBondContact O-CA 3.4Å; D141-D144 WeakPolarHBondContact O-CB 3.42Å; D141-D144 PolarHBondContact O-N 3.12Å; K142-D144 PolarHBondContact O-N 2.86Å; D144-I146 PolarHBondContact O-N 3.39Å; D144-I146 VanDerWaalsContact O-N 3.16Å
145	F	62.7	Low	74.1	Confident	74 Å²	74	88.2 Å²	88.2	33%	0.325	43%	0.433	S	S	.	.			trans	-79.1	98.4	176.8	-172	-114.7	0	0	0	110.8	G87 D141 E147	G87-F145 VanDerWaalsContact CA-CD2 3.47Å; G87-F145 VanDerWaalsContact CA-CE2 3.46Å; D141-F145 PolarHBondContact O-N 3.47Å; D141-F145 VanDerWaalsContact O-N 3.08Å; F145-E147 HydrophobicContact CD1-CG 4.07Å; F145-E147 HydrophobicContact CE1-CG 3.26Å; F145-E147 HydrophobicContact CZ-CG 3.68Å
146	I	57.5	Low	73.8	Confident	138 Å²	138	88.5 Å²	88.5	71%	0.708	45%	0.45	S	S	*	.			trans	-93.1	110.9	166.1	-55.7	175.3	0	0	0	106.7	D144 E148	D144-I146 PolarHBondContact O-N 3.39Å; D144-I146 VanDerWaalsContact O-N 3.16Å; I146-E148 PolarHBondContact O-N 3.42Å; I146-E148 VanDerWaalsContact O-N 3.08Å
147	E	54	Low	73.5	Confident	150 Å²	150	87.4 Å²	87.4	70%	0.701	46%	0.455	S	S	*	.			trans	-62.7	111.1	164.5	-73.7	-171.7	162.3	0	0	107.2	F145 E149	F145-E147 HydrophobicContact CD1-CG 4.07Å; F145-E147 HydrophobicContact CE1-CG 3.26Å; F145-E147 HydrophobicContact CZ-CG 3.68Å; E147-E149 PolarHBondContact O-N 2.83Å
148	E	52.5	Low	73.5	Confident	100 Å²	100	86.1 Å²	86.1	47%	0.467	45%	0.448	S	S	.	.			trans	-58.9	101.4	174.3	-75.4	-174.6	165.5	0	0	109.2	I146 N150 N151	I146-E148 PolarHBondContact O-N 3.42Å; I146-E148 VanDerWaalsContact O-N 3.08Å; E148-N150 PolarHBondContact O-N 3.47Å; E148-N151 PolarHBondContact OE2-ND2 3.19Å
149	E	45.4	Very low	73.6	Confident	187 Å²	187	87.4 Å²	87.4	87%	0.874	46%	0.457	S	S	*	.			trans	-68.2	118.4	167.2	-78.7	-172.2	154.4	0	0	109.1	E147	E147-E149 PolarHBondContact O-N 2.83Å
150	N	47	Very low	73.6	Confident	154 Å²	154	93.3 Å²	93.3	82%	0.824	48%	0.484	S	S	*	.			trans	56.5	75.2	171.1	-75.6	-26.9	0	0	0	116.3	E148 E152	E148-N150 PolarHBondContact O-N 3.47Å; N150-E152 PolarHBondContact O-N 3.07Å
151	N	53.5	Low	74	Confident	78 Å²	78	95.6 Å²	95.6	42%	0.417	49%	0.492	S	S	.	.			trans	-60.3	109.5	147.3	-85.1	-45.8	0	0	0	107.4	E148 D153	E148-N151 PolarHBondContact OE2-ND2 3.19Å; N151-D153 PolarHBondContact O-N 3.42Å
152	E	64.2	Low	74.3	Confident	176 Å²	176	94.7 Å²	94.7	82%	0.822	49%	0.487	S	S	*	.			trans	-46	130.6	171.1	-76.8	-174.2	164.8	0	0	108.5	N150 I154	N150-E152 PolarHBondContact O-N 3.07Å; E152-I154 VanDerWaalsContact C-N 3.28Å; E152-I154 WeakPolarHBondContact O-CG2 3.32Å; E152-I154 PolarHBondContact O-N 2.71Å
153	D	79	Confident	75.2	Confident	76 Å²	76	91.6 Å²	91.6	41%	0.406	49%	0.487	S	S	.	.			trans	-66.5	92.7	-179.6	-173.8	4.7	0	0	0	108.7	N151 Y155 G156 R171	N151-D153 PolarHBondContact O-N 3.42Å; D153-Y155 PolarHBondContact O-N 2.96Å; D153-Y155 PolarHBondContact OD1-N 3.26Å; D153-G156 WeakPolarHBondContact O-CA 3.49Å; D153-G156 PolarHBondContact O-N 2.82Å; D153-G156 PolarHBondContact OD1-N 3.11Å; D153-R171 VanDerWaalsContact CG-NH1 3.28Å; D153-R171 IonicContact OD1-CZ 3.74Å; D153-R171 VanDerWaalsContact OD1-CZ 3.32Å; D153-R171 IonicContact OD1-NH1 3.57Å; D153-R171 PolarHBondContact OD1-NH1 2.96Å; D153-R171 IonicContact OD1-NH2 3.58Å; D153-R171 IonicContact OD2-CZ 2.81Å; D153-R171 IonicContact OD2-NH1 3.57Å; D153-R171 PolarHBondContact OD2-NH1 3.18Å; D153-R171 VanDerWaalsContact OD2-NH1 3.14Å; D153-R171 IonicContact OD2-NH2 3Å; D153-R171 PolarHBondContact OD2-NH2 3.18Å
154	I	85	Confident	76	Confident	59 Å²	59	92.5 Å²	92.5	30%	0.303	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-19.3	-179.3	69.7	174.4	0	0	0	112.2	V119 E152 P200	V119-I154 HydrophobicContact CB-CD1 3.78Å; V119-I154 HydrophobicContact CG1-CD1 3.91Å; V119-I154 HydrophobicContact CG2-CD1 3.48Å; V119-I154 VanDerWaalsContact CG2-CD1 3.48Å; E152-I154 VanDerWaalsContact C-N 3.28Å; E152-I154 WeakPolarHBondContact O-CG2 3.32Å; E152-I154 PolarHBondContact O-N 2.71Å; I154-P200 HydrophobicContact CB-CG 4.22Å; I154-P200 HydrophobicContact CD1-CG 3.7Å; I154-P200 HydrophobicContact CG1-CG 3.79Å; I154-P200 WeakPolarHBondContact O-CB 3.49Å
155	Y	89.3	Confident	77.3	Confident	11 Å²	11	90.9 Å²	90.9	4%	0.043	48%	0.475	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-0.5	175.5	-67.7	-78.8	0	0	0	112.1	S118 V119 A121 D153 S157 D158 R171 P172 P200	S118-Y155 WeakPolarHBondContact O-CE2 3.27Å; V119-Y155 PolarHBondContact O-OH 3.27Å; A121-Y155 HydrophobicContact CB-CE2 4.04Å; D153-Y155 PolarHBondContact O-N 2.96Å; D153-Y155 PolarHBondContact OD1-N 3.26Å; Y155-S157 PolarHBondContact O-N 2.8Å; Y155-D158 VanDerWaalsContact O-CB 3.23Å; Y155-D158 WeakPolarHBondContact O-CB 3.24Å; Y155-D158 PolarHBondContact O-N 3.22Å; Y155-R171 HydrophobicContact CD2-CB 3.9Å; Y155-R171 HydrophobicContact CD2-CG 3.96Å; Y155-R171 HydrophobicContact CE2-CB 3.92Å; Y155-R171 HydrophobicContact CE2-CG 4.48Å; Y155-R171 HydrophobicContact CG-CB 4.22Å; Y155-R171 HydrophobicContact CG-CG 3.96Å; Y155-P172 VanDerWaalsContact CE1-CA 3.48Å; Y155-P172 HydrophobicContact CE1-CB 3.8Å; Y155-P172 WeakPolarHBondContact OH-CB 3.35Å; Y155-P172 WeakPolarHBondContact OH-CD 3.48Å; Y155-P200 HydrophobicContact CD1-CB 4.06Å; Y155-P200 HydrophobicContact CD1-CG 3.94Å; Y155-P200 HydrophobicContact CE1-CB 4.11Å; Y155-P200 HydrophobicContact CE1-CG 3.68Å; Y155-P200 HydrophobicContact CE2-CG 4.39Å; Y155-P200 HydrophobicContact CG-CG 4.4Å
156	G	88.5	Confident	78.8	Confident	55 Å²	55	92.4 Å²	92.4	57%	0.567	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-23.6	-175.8	0	0	0	0	0	113.6	D153	D153-G156 WeakPolarHBondContact O-CA 3.49Å; D153-G156 PolarHBondContact O-N 2.82Å; D153-G156 PolarHBondContact OD1-N 3.11Å
157	S	91.3	Very high	80.5	Confident	61 Å²	61	88.8 Å²	88.8	43%	0.427	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	1.8	175.5	67.9	0	0	0	0	113.8	Y155 R369	Y155-S157 PolarHBondContact O-N 2.8Å; S157-R369 PolarHBondContact O-NH1 3.27Å; S157-R369 PolarHBondContact O-NH2 3.22Å; S157-R369 VanDerWaalsContact O-NH2 3.12Å
158	D	95.2	Very high	82.1	Confident	22 Å²	22	83.1 Å²	83.1	12%	0.118	44%	0.441	C	S	.	.	P	Polyproline II helix	trans	-62.3	147.1	177.4	-93	22.3	0	0	0	111.3	Y155 R161 V201	Y155-D158 VanDerWaalsContact O-CB 3.23Å; Y155-D158 WeakPolarHBondContact O-CB 3.24Å; Y155-D158 PolarHBondContact O-N 3.22Å; D158-R161 IonicContact OD2-CZ 2.59Å; D158-R161 IonicContact OD2-NH1 3.92Å; D158-R161 PolarHBondContact OD2-NH1 2.74Å; D158-R161 IonicContact OD2-NH2 3.91Å; D158-R161 PolarHBondContact OD2-NH2 3.1Å; D158-V201 WeakPolarHBondContact OD1-CB 3.27Å; D158-V201 PolarHBondContact OD1-N 2.85Å
159	P	96.1	Very high	83.8	Confident	27 Å²	27	78.8 Å²	78.8	18%	0.175	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-64.3	157.5	179.7	28.1	-36.5	0	0	0	112.9	R161 V201 R369 D370	P159-R161 WeakPolarHBondContact O-CD 3.45Å; P159-R161 PolarHBondContact O-NE 2.87Å; P159-R161 PolarHBondContact O-NH1 3.16Å; P159-V201 HydrophobicContact CG-CG1 4.44Å; P159-V201 HydrophobicContact CG-CG2 4.41Å; P159-R369 HydrophobicContact CB-CB 4.32Å; P159-R369 HydrophobicContact CG-CB 4.1Å; P159-D370 HydrophobicContact CG-CB 4.41Å; P159-D370 WeakPolarHBondContact CG-OD2 3.43Å
160	Q	94.3	Very high	85.9	Confident	197 Å²	197	75.7 Å²	75.7	92%	0.921	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-74.2	144.3	165	-67.8	-174.5	-21.1	0	0	110.2
161	R	95.5	Very high	87.8	Confident	61 Å²	61	73.9 Å²	73.9	23%	0.23	39%	0.389	C	S	.	.			trans	-121.2	159.1	-177.1	-63.4	96.4	178.6	-175.5	-9.9	111.4	D158 P159 L165 F173 D370	D158-R161 IonicContact OD2-CZ 2.59Å; D158-R161 IonicContact OD2-NH1 3.92Å; D158-R161 PolarHBondContact OD2-NH1 2.74Å; D158-R161 IonicContact OD2-NH2 3.91Å; D158-R161 PolarHBondContact OD2-NH2 3.1Å; P159-R161 WeakPolarHBondContact O-CD 3.45Å; P159-R161 PolarHBondContact O-NE 2.87Å; P159-R161 PolarHBondContact O-NH1 3.16Å; R161-L165 HydrophobicContact CB-CD1 4.11Å; R161-F173 HydrophobicContact CB-CE1 3.99Å; R161-F173 HydrophobicContact CB-CE2 4.41Å; R161-F173 HydrophobicContact CB-CZ 3.72Å; R161-F173 HydrophobicContact CG-CD1 4.02Å; R161-F173 HydrophobicContact CG-CE1 3.53Å; R161-F173 HydrophobicContact CG-CE2 4.31Å; R161-F173 HydrophobicContact CG-CZ 3.7Å; R161-D370 WeakPolarHBondContact CG-OD2 3.36Å; R161-D370 IonicContact CZ-OD1 3.69Å; R161-D370 IonicContact CZ-OD2 3.93Å; R161-D370 IonicContact NE-OD1 3.82Å; R161-D370 IonicContact NE-OD2 3.77Å; R161-D370 PolarHBondContact NE-OD2 3.23Å; R161-D370 IonicContact NH2-OD1 2.77Å; R161-D370 PolarHBondContact NH2-OD1 3.36Å; R161-D370 IonicContact NH2-OD2 2.88Å
162	N	92.3	Very high	89.6	Confident	36 Å²	36	70.5 Å²	70.5	19%	0.193	37%	0.372	C	S	.	.			trans	-62.5	127.4	176.6	-173.9	-36.3	0	0	0	109.8	D164 L165 D191 L192	N162-D164 PolarHBondContact O-N 2.94Å; N162-D164 VanDerWaalsContact OD1-CB 3.3Å; N162-D164 WeakPolarHBondContact OD1-CB 3.47Å; N162-D164 PolarHBondContact OD1-N 3.21Å; N162-L165 HydrophobicContact CB-CG 4.46Å; N162-L165 WeakPolarHBondContact O-CB 3.42Å; N162-L165 PolarHBondContact O-N 2.98Å; N162-D191 HydrophobicContact CB-CB 4.18Å; N162-D191 WeakPolarHBondContact CB-O 3.46Å; N162-D191 PolarHBondContact ND2-OD2 2.57Å; N162-L192 HydrophobicContact CB-CD2 4.49Å
163	P	93.8	Very high	91.1	Very high	123 Å²	123	62.5 Å²	62.5	80%	0.799	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-18	-179.3	27.9	-37	0	0	0	114.1	L165	P163-L165 VanDerWaalsContact C-N 3.27Å; P163-L165 PolarHBondContact O-N 3.44Å
164	D	93.2	Very high	91.9	Very high	114 Å²	114	59 Å²	59	61%	0.61	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-17.8	178.6	-67	-21.4	0	0	0	112.6	N162 K166 P178 L192	N162-D164 PolarHBondContact O-N 2.94Å; N162-D164 VanDerWaalsContact OD1-CB 3.3Å; N162-D164 WeakPolarHBondContact OD1-CB 3.47Å; N162-D164 PolarHBondContact OD1-N 3.21Å; D164-K166 PolarHBondContact O-N 2.83Å; D164-P178 WeakPolarHBondContact O-CG 3.38Å; D164-L192 HydrophobicContact CB-CD2 4.01Å
165	L	93.8	Very high	92.5	Very high	9 Å²	9	56.1 Å²	56.1	5%	0.047	30%	0.301	C	S	.	.	S	Bend	trans	-59.3	136.8	175.5	-74.1	170.5	0	0	0	110.8	R161 N162 P163 V167 F173 A175 E176	R161-L165 HydrophobicContact CB-CD1 4.11Å; N162-L165 HydrophobicContact CB-CG 4.46Å; N162-L165 WeakPolarHBondContact O-CB 3.42Å; N162-L165 PolarHBondContact O-N 2.98Å; P163-L165 VanDerWaalsContact C-N 3.27Å; P163-L165 PolarHBondContact O-N 3.44Å; L165-V167 PolarHBondContact O-N 3.02Å; L165-F173 HydrophobicContact CD1-CE1 4.33Å; L165-F173 HydrophobicContact CD1-CZ 4.48Å; L165-A175 HydrophobicContact CB-CB 3.88Å; L165-A175 HydrophobicContact CD1-CB 4.34Å; L165-E176 WeakPolarHBondContact CD2-O 3.15Å
166	K	93	Very high	92.9	Very high	107 Å²	107	55.7 Å²	55.7	47%	0.465	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	95.4	175.1	175.8	178.5	174.4	-178.2	0	109.4	D164 V168 A175 E176 S280	D164-K166 PolarHBondContact O-N 2.83Å; K166-V168 PolarHBondContact O-N 3.02Å; K166-A175 CarbonylContact O-C 3.55Å; K166-A175 VanDerWaalsContact O-CA 3.28Å; K166-A175 WeakPolarHBondContact O-CA 3.42Å; K166-E176 HydrophobicContact CB-CB 4.18Å; K166-E176 WeakPolarHBondContact CD-OE2 3.4Å; K166-E176 PolarHBondContact N-O 2.84Å; K166-E176 VanDerWaalsContact N-O 3.1Å; K166-E176 IonicContact NZ-OE2 3.9Å; K166-E176 PolarHBondContact O-N 3.02Å; K166-S280 VanDerWaalsContact NZ-CB 3.29Å; K166-S280 PolarHBondContact NZ-OG 2.9Å
167	V	93.1	Very high	93.3	Very high	61 Å²	61	53.1 Å²	53.1	37%	0.37	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	125.8	-177.5	-175.1	0	0	0	0	111.3	L165 S169 Q170 F173 A175	L165-V167 PolarHBondContact O-N 3.02Å; V167-S169 WeakPolarHBondContact CG1-O 3.31Å; V167-Q170 HydrophobicContact CG1-CG 4.24Å; V167-F173 HydrophobicContact CG1-CE2 4.23Å; V167-F173 HydrophobicContact CG2-CE2 3.99Å; V167-F173 HydrophobicContact CG2-CZ 3.99Å; V167-A175 HydrophobicContact CB-CB 4.49Å; V167-A175 HydrophobicContact CG2-CB 4.23Å
168	V	88.9	Confident	93.5	Very high	32 Å²	32	51.5 Å²	51.5	19%	0.194	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-32.1	175.7	-176.8	0	0	0	0	111.2	K166 N174 E176 L277 W279	K166-V168 PolarHBondContact O-N 3.02Å; V168-N174 WeakPolarHBondContact CA-O 3.46Å; V168-N174 PolarHBondContact N-O 3.24Å; V168-E176 HydrophobicContact CG2-CG 3.95Å; V168-L277 HydrophobicContact CG1-CB 4.05Å; V168-L277 HydrophobicContact CG1-CD2 4.03Å; V168-W279 HydrophobicContact CB-CE3 4.24Å; V168-W279 HydrophobicContact CB-CZ3 4.15Å; V168-W279 HydrophobicContact CG1-CE3 4.48Å; V168-W279 HydrophobicContact CG2-CE3 3.62Å; V168-W279 HydrophobicContact CG2-CZ3 3.75Å
169	S	88.3	Confident	93.5	Very high	8 Å²	8	51.8 Å²	51.8	6%	0.056	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	139.6	172.2	-179.6	0	0	0	0	110.1	V167 R171 P172 F173 N174	V167-S169 WeakPolarHBondContact CG1-O 3.31Å; S169-R171 PolarHBondContact OG-O 3.17Å; S169-P172 WeakPolarHBondContact CB-O 3.35Å; S169-P172 PolarHBondContact OG-O 2.83Å; S169-P172 VanDerWaalsContact OG-O 3.07Å; S169-F173 CarbonylContact O-C 3.54Å; S169-F173 WeakPolarHBondContact O-CA 3.42Å; S169-N174 PolarHBondContact N-O 3.4Å; S169-N174 PolarHBondContact O-N 2.85Å
170	Q	87.9	Confident	93.2	Very high	122 Å²	122	53.1 Å²	53.1	57%	0.57	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-38.3	175.8	-69.4	-68.3	-10.2	0	0	112.1	V167 P172 F173	V167-Q170 HydrophobicContact CG1-CG 4.24Å; Q170-P172 CarbonylContact C-O 3.58Å; Q170-P172 CarbonylContact O-C 3.58Å; Q170-F173 WeakPolarHBondContact O-CA 3.43Å; Q170-F173 PolarHBondContact O-N 3.43Å
171	R	87.6	Confident	93	Very high	117 Å²	117	44.7 Å²	44.7	44%	0.442	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-139	111.8	-175.9	-63.1	-177.7	-175	-168.7	-6.5	110.7	A121 F122 D153 Y155 S169	A121-R171 CarbonylContact C-O 3.52Å; A121-R171 VanDerWaalsContact C-O 3.26Å; A121-R171 HydrophobicContact CB-CB 3.52Å; A121-R171 VanDerWaalsContact CB-O 3.25Å; A121-R171 WeakPolarHBondContact CB-O 3.5Å; F122-R171 PolarHBondContact N-O 2.88Å; D153-R171 VanDerWaalsContact CG-NH1 3.28Å; D153-R171 IonicContact OD1-CZ 3.74Å; D153-R171 VanDerWaalsContact OD1-CZ 3.32Å; D153-R171 IonicContact OD1-NH1 3.57Å; D153-R171 PolarHBondContact OD1-NH1 2.96Å; D153-R171 IonicContact OD1-NH2 3.58Å; D153-R171 IonicContact OD2-CZ 2.81Å; D153-R171 IonicContact OD2-NH1 3.57Å; D153-R171 PolarHBondContact OD2-NH1 3.18Å; D153-R171 VanDerWaalsContact OD2-NH1 3.14Å; D153-R171 IonicContact OD2-NH2 3Å; D153-R171 PolarHBondContact OD2-NH2 3.18Å; Y155-R171 HydrophobicContact CD2-CB 3.9Å; Y155-R171 HydrophobicContact CD2-CG 3.96Å; Y155-R171 HydrophobicContact CE2-CB 3.92Å; Y155-R171 HydrophobicContact CE2-CG 4.48Å; Y155-R171 HydrophobicContact CG-CB 4.22Å; Y155-R171 HydrophobicContact CG-CG 3.96Å; S169-R171 PolarHBondContact OG-O 3.17Å
172	P	91.4	Very high	92.9	Very high	7 Å²	7	41.8 Å²	41.8	5%	0.045	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	cis	-60.5	154.7	-14.1	29.5	-36.3	0	0	0	111.4	Y155 S169 Q170 N174 N197	Y155-P172 VanDerWaalsContact CE1-CA 3.48Å; Y155-P172 HydrophobicContact CE1-CB 3.8Å; Y155-P172 WeakPolarHBondContact OH-CB 3.35Å; Y155-P172 WeakPolarHBondContact OH-CD 3.48Å; S169-P172 WeakPolarHBondContact CB-O 3.35Å; S169-P172 PolarHBondContact OG-O 2.83Å; S169-P172 VanDerWaalsContact OG-O 3.07Å; Q170-P172 CarbonylContact C-O 3.58Å; Q170-P172 CarbonylContact O-C 3.58Å; P172-N174 PolarHBondContact O-N 2.81Å; P172-N174 PolarHBondContact O-ND2 2.95Å; P172-N197 HydrophobicContact CB-CB 4.18Å; P172-N197 WeakPolarHBondContact CB-O 3.43Å; P172-N197 WeakPolarHBondContact CG-O 3.34Å
173	F	94.8	Very high	92.6	Very high	8 Å²	8	41.6 Å²	41.6	4%	0.035	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	122.9	-178	-167.8	-94.3	0	0	0	111.2	R161 L165 V167 S169 Q170 A175 V195 N197	R161-F173 HydrophobicContact CB-CE1 3.99Å; R161-F173 HydrophobicContact CB-CE2 4.41Å; R161-F173 HydrophobicContact CB-CZ 3.72Å; R161-F173 HydrophobicContact CG-CD1 4.02Å; R161-F173 HydrophobicContact CG-CE1 3.53Å; R161-F173 HydrophobicContact CG-CE2 4.31Å; R161-F173 HydrophobicContact CG-CZ 3.7Å; L165-F173 HydrophobicContact CD1-CE1 4.33Å; L165-F173 HydrophobicContact CD1-CZ 4.48Å; V167-F173 HydrophobicContact CG1-CE2 4.23Å; V167-F173 HydrophobicContact CG2-CE2 3.99Å; V167-F173 HydrophobicContact CG2-CZ 3.99Å; S169-F173 CarbonylContact O-C 3.54Å; S169-F173 WeakPolarHBondContact O-CA 3.42Å; Q170-F173 WeakPolarHBondContact O-CA 3.43Å; Q170-F173 PolarHBondContact O-N 3.43Å; F173-A175 HydrophobicContact CD1-CB 4.45Å; F173-A175 HydrophobicContact CE1-CB 3.58Å; F173-A175 HydrophobicContact CZ-CB 3.76Å; F173-V195 HydrophobicContact CD1-CB 3.88Å; F173-V195 HydrophobicContact CD1-CG1 3.77Å; F173-V195 HydrophobicContact CD1-CG2 4.35Å; F173-V195 HydrophobicContact CE1-CB 4.03Å; F173-V195 HydrophobicContact CE1-CG1 4.39Å; F173-V195 HydrophobicContact CE1-CG2 4.17Å; F173-N197 WeakPolarHBondContact O-CB 3.46Å; F173-N197 PolarHBondContact O-N 3.36Å; F173-N197 VanDerWaalsContact O-N 3.16Å
174	N	96.6	Very high	92.2	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	119.4	179.1	-70.7	-90.6	0	0	0	108.1	V168 S169 P172 V195 R196 N197 L277 W279	V168-N174 WeakPolarHBondContact CA-O 3.46Å; V168-N174 PolarHBondContact N-O 3.24Å; S169-N174 PolarHBondContact N-O 3.4Å; S169-N174 PolarHBondContact O-N 2.85Å; P172-N174 PolarHBondContact O-N 2.81Å; P172-N174 PolarHBondContact O-ND2 2.95Å; N174-V195 CarbonylContact C-O 3.57Å; N174-V195 VanDerWaalsContact CA-O 3.24Å; N174-V195 WeakPolarHBondContact CA-O 3.23Å; N174-R196 WeakPolarHBondContact OD1-CA 3.41Å; N174-R196 WeakPolarHBondContact OD1-CG 3.49Å; N174-R196 PolarHBondContact OD1-NH1 3Å; N174-N197 PolarHBondContact ND2-O 2.77Å; N174-N197 PolarHBondContact OD1-N 2.94Å; N174-N197 PolarHBondContact OD1-O 2.96Å; N174-L277 HydrophobicContact CB-CD1 3.86Å; N174-L277 WeakPolarHBondContact OD1-CD1 3.23Å; N174-W279 HydrophobicContact CB-CH2 3.53Å; N174-W279 HydrophobicContact CB-CZ2 3.95Å; N174-W279 HydrophobicContact CB-CZ3 4.4Å
175	A	96.9	Very high	92	Very high	0 Å²	0	36 Å²	36	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	151.2	-176.4	0	0	0	0	0	111.9	L165 K166 V167 F173 F194 V195	L165-A175 HydrophobicContact CB-CB 3.88Å; L165-A175 HydrophobicContact CD1-CB 4.34Å; K166-A175 CarbonylContact O-C 3.55Å; K166-A175 VanDerWaalsContact O-CA 3.28Å; K166-A175 WeakPolarHBondContact O-CA 3.42Å; V167-A175 HydrophobicContact CB-CB 4.49Å; V167-A175 HydrophobicContact CG2-CB 4.23Å; F173-A175 HydrophobicContact CD1-CB 4.45Å; F173-A175 HydrophobicContact CE1-CB 3.58Å; F173-A175 HydrophobicContact CZ-CB 3.76Å; A175-F194 CarbonylContact O-C 3.56Å; A175-F194 WeakPolarHBondContact O-CA 3.37Å; A175-F194 WeakPolarHBondContact O-CB 3.41Å; A175-V195 PolarHBondContact N-O 3.03Å; A175-V195 PolarHBondContact O-N 3.48Å
176	E	98.1	Very high	91.8	Very high	1 Å²	1	38.6 Å²	38.6	1%	0.005	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	151	-175.7	-62.2	-176.6	126.9	0	0	111.9	L165 K166 V168 W279 S280	L165-E176 WeakPolarHBondContact CD2-O 3.15Å; K166-E176 HydrophobicContact CB-CB 4.18Å; K166-E176 WeakPolarHBondContact CD-OE2 3.4Å; K166-E176 PolarHBondContact N-O 2.84Å; K166-E176 VanDerWaalsContact N-O 3.1Å; K166-E176 IonicContact NZ-OE2 3.9Å; K166-E176 PolarHBondContact O-N 3.02Å; V168-E176 HydrophobicContact CG2-CG 3.95Å; E176-W279 HydrophobicContact CG-CE3 3.34Å; E176-W279 HydrophobicContact CG-CZ3 3.56Å; E176-W279 VanDerWaalsContact OE1-CA 3.3Å; E176-W279 WeakPolarHBondContact OE1-CA 3.33Å; E176-W279 WeakPolarHBondContact OE1-CB 3.4Å; E176-S280 VanDerWaalsContact CD-OG 3.29Å; E176-S280 WeakPolarHBondContact OE1-CA 3.4Å; E176-S280 PolarHBondContact OE1-N 3Å; E176-S280 PolarHBondContact OE1-OG 3.04Å; E176-S280 PolarHBondContact OE2-N 3.35Å; E176-S280 PolarHBondContact OE2-OG 3.34Å
177	T	97.8	Very high	91.8	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.006	21%	0.207	C	C	.	.	P	Polyproline II helix	trans	-62.3	130.1	162.5	-60.7	0	0	0	0	108.8	L179 I182 T188 L192 F194 G282 S285	T177-L179 PolarHBondContact O-N 3.39Å; T177-L179 VanDerWaalsContact O-N 3.1Å; T177-I182 HydrophobicContact CG2-CD1 4.41Å; T177-I182 HydrophobicContact CG2-CG1 3.81Å; T177-T188 HydrophobicContact CG2-CG2 3.9Å; T177-L192 WeakPolarHBondContact CA-O 3.48Å; T177-L192 WeakPolarHBondContact CB-O 3.13Å; T177-L192 WeakPolarHBondContact CG2-O 3.21Å; T177-L192 PolarHBondContact OG1-O 3.18Å; T177-F194 PolarHBondContact OG1-N 3.23Å; T177-G282 PolarHBondContact N-O 3.39Å; T177-G282 WeakPolarHBondContact O-CA 3.46Å; T177-S285 PolarHBondContact OG1-OG 2.96Å
178	P	95.1	Very high	92	Very high	28 Å²	28	33.3 Å²	33.3	18%	0.182	19%	0.19	C	C	.	.	P	Polyproline II helix	trans	-58.1	118.5	177.3	-28.6	38.6	0	0	0	110.8	D164 P180 S181	D164-P178 WeakPolarHBondContact O-CG 3.38Å; P178-P180 VanDerWaalsContact C-CD 3.46Å; P178-P180 VanDerWaalsContact C-N 3.32Å; P178-P180 VanDerWaalsContact O-N 3.16Å; P178-S181 WeakPolarHBondContact O-CB 3.47Å; P178-S181 PolarHBondContact O-N 3.14Å; P178-S181 PolarHBondContact O-OG 3.2Å
179	L	94.5	Very high	92.3	Very high	28 Å²	28	33.7 Å²	33.7	15%	0.147	19%	0.193	C	C	.	.	H	α-helix	trans	-50.9	-43.2	-172.8	-177.7	63.3	0	0	0	113.9	T177 S181 I182 E281 V438 C440 Y459	T177-L179 PolarHBondContact O-N 3.39Å; T177-L179 VanDerWaalsContact O-N 3.1Å; L179-S181 PolarHBondContact O-N 2.95Å; L179-I182 HydrophobicContact CD1-CD1 4.12Å; L179-I182 PolarHBondContact O-N 3.17Å; L179-E281 HydrophobicContact CD1-CB 3.91Å; L179-E281 HydrophobicContact CD2-CB 4.16Å; L179-E281 HydrophobicContact CD2-CG 4.31Å; L179-V438 HydrophobicContact CD1-CG1 3.9Å; L179-V438 HydrophobicContact CD2-CG1 4.47Å; L179-C440 HydrophobicContact CD1-CB 3.99Å; L179-C440 WeakPolarHBondContact CD1-SG 3.32Å; L179-C440 HydrophobicContact CG-CB 4.1Å; L179-Y459 HydrophobicContact CD1-CE1 4.13Å
180	P	90.1	Very high	92.8	Very high	54 Å²	54	34.7 Å²	34.7	35%	0.351	20%	0.199	S	C	.	.	H	α-helix	trans	-67.4	-16.4	178	-21.6	35.3	0	0	0	114.9	P178 K441	P178-P180 VanDerWaalsContact C-CD 3.46Å; P178-P180 VanDerWaalsContact C-N 3.32Å; P178-P180 VanDerWaalsContact O-N 3.16Å; P180-K441 WeakPolarHBondContact O-CE 3.4Å; P180-K441 PolarHBondContact O-NZ 3.41Å
181	S	91.3	Very high	93.2	Very high	21 Å²	21	33 Å²	33	15%	0.147	19%	0.194	C	C	.	.	H	α-helix	trans	-80.5	-26.4	-179.5	80.7	0	0	0	0	112.3	P178 L179 G183 S184 N185	P178-S181 WeakPolarHBondContact O-CB 3.47Å; P178-S181 PolarHBondContact O-N 3.14Å; P178-S181 PolarHBondContact O-OG 3.2Å; L179-S181 PolarHBondContact O-N 2.95Å; S181-G183 PolarHBondContact O-N 3.41Å; S181-S184 PolarHBondContact O-N 3.44Å; S181-S184 VanDerWaalsContact O-N 3.1Å; S181-N185 PolarHBondContact O-N 2.99Å; S181-N185 PolarHBondContact O-ND2 3.08Å
182	I	92.4	Very high	93.6	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-55.9	-49.9	-172.9	-69.6	175.6	0	0	0	112.3	T177 L179 S184 N185 I284 Y459 W517 L519	T177-I182 HydrophobicContact CG2-CD1 4.41Å; T177-I182 HydrophobicContact CG2-CG1 3.81Å; L179-I182 HydrophobicContact CD1-CD1 4.12Å; L179-I182 PolarHBondContact O-N 3.17Å; I182-S184 PolarHBondContact O-N 2.86Å; I182-S184 VanDerWaalsContact O-N 3.08Å; I182-N185 CarbonylContact O-C 3.59Å; I182-N185 PolarHBondContact O-N 2.86Å; I182-I284 HydrophobicContact CD1-CG2 4.49Å; I182-Y459 HydrophobicContact CD1-CD1 3.76Å; I182-Y459 HydrophobicContact CD1-CE1 3.66Å; I182-Y459 HydrophobicContact CG2-CD1 3.79Å; I182-Y459 HydrophobicContact CG2-CG 4.46Å; I182-W517 HydrophobicContact CB-CH2 4.06Å; I182-W517 HydrophobicContact CB-CZ3 4.35Å; I182-W517 HydrophobicContact CD1-CH2 4.38Å; I182-W517 HydrophobicContact CD1-CZ3 4.04Å; I182-W517 HydrophobicContact CG1-CH2 3.94Å; I182-W517 HydrophobicContact CG1-CZ3 4.1Å; I182-W517 HydrophobicContact CG2-CE3 4.09Å; I182-W517 HydrophobicContact CG2-CH2 3.3Å; I182-W517 HydrophobicContact CG2-CZ2 3.87Å; I182-W517 HydrophobicContact CG2-CZ3 3.42Å; I182-W517 VanDerWaalsContact CG2-CZ3 3.42Å; I182-L519 HydrophobicContact CG2-CD2 3.98Å
183	G	85.4	Confident	94	Very high	31 Å²	31	28.3 Å²	28.3	32%	0.32	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-21.7	-176.9	0	0	0	0	0	114.2	S181	S181-G183 PolarHBondContact O-N 3.41Å
184	S	85.4	Confident	94.1	Very high	77 Å²	77	28.4 Å²	28.4	54%	0.538	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	-6.7	179.4	-31.7	0	0	0	0	112.3	S181 I182	S181-S184 PolarHBondContact O-N 3.44Å; S181-S184 VanDerWaalsContact O-N 3.1Å; I182-S184 PolarHBondContact O-N 2.86Å; I182-S184 VanDerWaalsContact O-N 3.08Å
185	N	89.3	Confident	94.2	Very high	43 Å²	43	28.6 Å²	28.6	23%	0.23	18%	0.178	C	C	.	.			trans	-133.8	76.1	-171.7	-70	-71.8	0	0	0	110.5	S181 I182 I187 P189 W517	S181-N185 PolarHBondContact O-N 2.99Å; S181-N185 PolarHBondContact O-ND2 3.08Å; I182-N185 CarbonylContact O-C 3.59Å; I182-N185 PolarHBondContact O-N 2.86Å; N185-I187 CarbonylContact C-O 3.55Å; N185-I187 CarbonylContact O-C 3.59Å; N185-I187 PolarHBondContact O-N 3.08Å; N185-I187 VanDerWaalsContact O-N 3.17Å; N185-P189 WeakPolarHBondContact OD1-CD 3.46Å; N185-P189 WeakPolarHBondContact OD1-CG 3.27Å; N185-W517 WeakPolarHBondContact O-CZ2 2.93Å
186	P	90.1	Very high	94.3	Very high	64 Å²	64	31.1 Å²	31.1	42%	0.416	19%	0.187	S	C	.	.	S	Bend	trans	-55	-34.1	177.7	-23.5	32.5	0	0	0	113.2	W517 L519	P186-W517 PolarHBondContact O-NE1 3.34Å; P186-L519 HydrophobicContact CB-CD1 4.06Å; P186-L519 HydrophobicContact CG-CD1 3.89Å
187	I	94	Very high	94.2	Very high	56 Å²	56	31.1 Å²	31.1	29%	0.287	19%	0.187	S	C	.	.	S	Bend	trans	-104.4	120.8	160.4	-57.9	-57.9	0	0	0	106.6	N185 P189 V244 T286 N363	N185-I187 CarbonylContact C-O 3.55Å; N185-I187 CarbonylContact O-C 3.59Å; N185-I187 PolarHBondContact O-N 3.08Å; N185-I187 VanDerWaalsContact O-N 3.17Å; I187-P189 WeakPolarHBondContact O-CD 3.12Å; I187-V244 HydrophobicContact CD1-CB 4.45Å; I187-V244 HydrophobicContact CD1-CG1 3.41Å; I187-V244 VanDerWaalsContact CD1-CG1 3.41Å; I187-V244 HydrophobicContact CD1-CG2 4.14Å; I187-T286 HydrophobicContact CD1-CG2 4Å; I187-N363 WeakPolarHBondContact CG2-OD1 3.4Å
188	T	96	Very high	93.9	Very high	1 Å²	1	32 Å²	32	1%	0.006	19%	0.191	C	C	.	.			trans	-70.2	126.4	-179.4	-47.2	0	0	0	0	109.5	T177 T190 L192 F193 T286 N363	T177-T188 HydrophobicContact CG2-CG2 3.9Å; T188-T190 PolarHBondContact O-N 3.49Å; T188-L192 HydrophobicContact CG2-CB 4.32Å; T188-F193 HydrophobicContact CG2-CB 4.38Å; T188-T286 WeakPolarHBondContact CB-O 3.27Å; T188-T286 PolarHBondContact N-O 3.08Å; T188-T286 PolarHBondContact OG1-N 3.04Å; T188-T286 VanDerWaalsContact OG1-N 3.07Å; T188-T286 PolarHBondContact OG1-O 2.8Å; T188-N363 PolarHBondContact O-ND2 2.99Å
189	P	95.8	Very high	93.8	Very high	40 Å²	40	30.7 Å²	30.7	26%	0.26	18%	0.183	S	C	.	.			trans	-50.9	137.8	170.6	-28.7	35.3	0	0	0	110.9	N185 I187 D191 L192 F193	N185-P189 WeakPolarHBondContact OD1-CD 3.46Å; N185-P189 WeakPolarHBondContact OD1-CG 3.27Å; I187-P189 WeakPolarHBondContact O-CD 3.12Å; P189-D191 VanDerWaalsContact CB-OD1 3.24Å; P189-D191 WeakPolarHBondContact CB-OD1 3.47Å; P189-D191 PolarHBondContact O-N 3.09Å; P189-D191 VanDerWaalsContact O-N 3.16Å; P189-L192 HydrophobicContact CB-CB 4.37Å; P189-L192 HydrophobicContact CB-CD1 4.44Å; P189-L192 HydrophobicContact CB-CG 4.43Å; P189-L192 HydrophobicContact CG-CD1 4.31Å; P189-L192 CarbonylContact O-C 3.56Å; P189-L192 PolarHBondContact O-N 3.15Å; P189-F193 PolarHBondContact O-N 2.89Å
190	T	97.6	Very high	93.7	Very high	29 Å²	29	30.5 Å²	30.5	18%	0.178	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-57.5	-34.1	-173	-59.1	0	0	0	0	112.8	T188 L192 M362 N363 T368 H371	T188-T190 PolarHBondContact O-N 3.49Å; T190-L192 VanDerWaalsContact C-N 3.33Å; T190-M362 HydrophobicContact CG2-CE 4.18Å; T190-M362 HydrophobicContact CG2-SD 4.01Å; T190-N363 PolarHBondContact OG1-ND2 3.4Å; T190-N363 VanDerWaalsContact OG1-ND2 3.1Å; T190-T368 HydrophobicContact CG2-CG2 3.54Å; T190-H371 PolarHBondContact O-NE2 2.92Å
191	D	96.2	Very high	94	Very high	87 Å²	87	28 Å²	28	47%	0.465	17%	0.167	S	C	.	.	G	3₁₀ helix	trans	-78.4	-13.6	178.8	63.9	-38.6	0	0	0	114	N162 P189	N162-D191 HydrophobicContact CB-CB 4.18Å; N162-D191 WeakPolarHBondContact CB-O 3.46Å; N162-D191 PolarHBondContact ND2-OD2 2.57Å; P189-D191 VanDerWaalsContact CB-OD1 3.24Å; P189-D191 WeakPolarHBondContact CB-OD1 3.47Å; P189-D191 PolarHBondContact O-N 3.09Å; P189-D191 VanDerWaalsContact O-N 3.16Å
192	L	97.5	Very high	94.3	Very high	21 Å²	21	28 Å²	28	11%	0.11	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-107.2	-0.9	173.5	-63.5	-178.8	0	0	0	113.2	N162 D164 T177 T188 P189 T190	N162-L192 HydrophobicContact CB-CD2 4.49Å; D164-L192 HydrophobicContact CB-CD2 4.01Å; T177-L192 WeakPolarHBondContact CA-O 3.48Å; T177-L192 WeakPolarHBondContact CB-O 3.13Å; T177-L192 WeakPolarHBondContact CG2-O 3.21Å; T177-L192 PolarHBondContact OG1-O 3.18Å; T188-L192 HydrophobicContact CG2-CB 4.32Å; P189-L192 HydrophobicContact CB-CB 4.37Å; P189-L192 HydrophobicContact CB-CD1 4.44Å; P189-L192 HydrophobicContact CB-CG 4.43Å; P189-L192 HydrophobicContact CG-CD1 4.31Å; P189-L192 CarbonylContact O-C 3.56Å; P189-L192 PolarHBondContact O-N 3.15Å; T190-L192 VanDerWaalsContact C-N 3.33Å
193	F	98.4	Very high	94.4	Very high	3 Å²	3	34 Å²	34	1%	0.013	20%	0.199	C	C	.	.	S	Bend	trans	-68.7	131.6	178	-165.9	-73.7	0	0	0	109.5	T188 P189 V195 I247 S285 A287 W289 M362 H371	T188-F193 HydrophobicContact CG2-CB 4.38Å; P189-F193 PolarHBondContact O-N 2.89Å; F193-V195 PolarHBondContact O-N 3.21Å; F193-I247 HydrophobicContact CE1-CB 4.49Å; F193-I247 HydrophobicContact CZ-CB 4.02Å; F193-I247 HydrophobicContact CZ-CD1 4.08Å; F193-I247 HydrophobicContact CZ-CG1 4.1Å; F193-S285 VanDerWaalsContact CG-CB 3.47Å; F193-A287 HydrophobicContact CD2-CB 4.08Å; F193-A287 HydrophobicContact CE2-CB 3.69Å; F193-W289 HydrophobicContact CE2-CH2 4.48Å; F193-W289 AromaticContact CE2-CZ2 3.93Å; F193-W289 HydrophobicContact CE2-CZ2 3.93Å; F193-W289 HydrophobicContact CZ-CH2 4.22Å; F193-W289 AromaticContact CZ-CZ2 3.73Å; F193-W289 HydrophobicContact CZ-CZ2 3.73Å; F193-M362 HydrophobicContact CB-CE 3.6Å; F193-M362 HydrophobicContact CD1-CE 4Å; F193-M362 HydrophobicContact CD2-CE 3.13Å; F193-M362 HydrophobicContact CE2-CE 3.71Å; F193-M362 HydrophobicContact CG-CE 3.31Å; F193-M362 HydrophobicContact CZ-CE 4.38Å; F193-H371 AromaticContact CD1-CE1 3.73Å
194	F	98.6	Very high	94.9	Very high	11 Å²	11	33.5 Å²	33.5	5%	0.048	19%	0.189	C	C	.	.			trans	-56.3	140.7	-174.3	86.1	-81.9	0	0	0	111.9	A175 T177 R196 I247 C249 S285	A175-F194 CarbonylContact O-C 3.56Å; A175-F194 WeakPolarHBondContact O-CA 3.37Å; A175-F194 WeakPolarHBondContact O-CB 3.41Å; T177-F194 PolarHBondContact OG1-N 3.23Å; F194-R196 HydrophobicContact CD2-CB 4.49Å; F194-R196 HydrophobicContact CE2-CB 4.13Å; F194-I247 HydrophobicContact CE1-CB 4.02Å; F194-I247 HydrophobicContact CE1-CG2 3.98Å; F194-I247 VanDerWaalsContact CE1-O 3.27Å; F194-I247 WeakPolarHBondContact CE1-O 3.48Å; F194-I247 HydrophobicContact CZ-CB 4.33Å; F194-I247 HydrophobicContact CZ-CG2 3.76Å; F194-C249 HydrophobicContact CE2-CB 4.06Å; F194-S285 WeakPolarHBondContact CD1-OG 3.36Å; F194-S285 PolarHBondContact N-OG 2.76Å
195	V	98.5	Very high	95.5	Very high	4 Å²	4	33.2 Å²	33.2	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	128.8	179.4	-175.3	0	0	0	0	109.1	F173 N174 A175 F193 N197 D370	F173-V195 HydrophobicContact CD1-CB 3.88Å; F173-V195 HydrophobicContact CD1-CG1 3.77Å; F173-V195 HydrophobicContact CD1-CG2 4.35Å; F173-V195 HydrophobicContact CE1-CB 4.03Å; F173-V195 HydrophobicContact CE1-CG1 4.39Å; F173-V195 HydrophobicContact CE1-CG2 4.17Å; N174-V195 CarbonylContact C-O 3.57Å; N174-V195 VanDerWaalsContact CA-O 3.24Å; N174-V195 WeakPolarHBondContact CA-O 3.23Å; A175-V195 PolarHBondContact N-O 3.03Å; A175-V195 PolarHBondContact O-N 3.48Å; F193-V195 PolarHBondContact O-N 3.21Å; V195-N197 WeakPolarHBondContact CG1-OD1 3.48Å; V195-D370 HydrophobicContact CG1-CB 4.05Å; V195-D370 HydrophobicContact CG2-CB 4.19Å
196	R	97.8	Very high	95.8	Very high	53 Å²	53	33.9 Å²	33.9	20%	0.2	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	107.5	169.8	-166.3	-68.5	178	-104.5	4.5	108.9	N174 F194 H198 W279 K389 Y410	N174-R196 WeakPolarHBondContact OD1-CA 3.41Å; N174-R196 WeakPolarHBondContact OD1-CG 3.49Å; N174-R196 PolarHBondContact OD1-NH1 3Å; F194-R196 HydrophobicContact CD2-CB 4.49Å; F194-R196 HydrophobicContact CE2-CB 4.13Å; R196-H198 PolarHBondContact NE-CE1 2.84Å; R196-H198 PolarHBondContact NE-ND1 3Å; R196-H198 PolarHBondContact NE-NE2 3.04Å; R196-H198 VanDerWaalsContact NE-NE2 3.19Å; R196-H198 PolarHBondContact NH2-CD2 3.49Å; R196-H198 PolarHBondContact NH2-NE2 2.82Å; R196-W279 HydrophobicContact CB-CZ2 4.38Å; R196-W279 HydrophobicContact CG-CH2 4.48Å; R196-W279 HydrophobicContact CG-CZ2 3.89Å; R196-K389 PolarHBondContact O-NZ 3.31Å; R196-Y410 PolarHBondContact NE-OH 2.81Å
197	N	96.3	Very high	96.1	Very high	1 Å²	1	38.5 Å²	38.5	1%	0.005	21%	0.205	C	C	.	.			trans	-115.2	134.1	174.4	-58.3	-11.4	0	0	0	109.2	P172 F173 N174 V195 V201 D370 K389	P172-N197 HydrophobicContact CB-CB 4.18Å; P172-N197 WeakPolarHBondContact CB-O 3.43Å; P172-N197 WeakPolarHBondContact CG-O 3.34Å; F173-N197 WeakPolarHBondContact O-CB 3.46Å; F173-N197 PolarHBondContact O-N 3.36Å; F173-N197 VanDerWaalsContact O-N 3.16Å; N174-N197 PolarHBondContact ND2-O 2.77Å; N174-N197 PolarHBondContact OD1-N 2.94Å; N174-N197 PolarHBondContact OD1-O 2.96Å; V195-N197 WeakPolarHBondContact CG1-OD1 3.48Å; N197-V201 VanDerWaalsContact ND2-CG2 3.28Å; N197-V201 WeakPolarHBondContact ND2-CG2 3.39Å; N197-D370 PolarHBondContact ND2-OD1 3.16Å; N197-K389 PolarHBondContact OD1-NZ 2.77Å
198	H	91.5	Very high	96.3	Very high	20 Å²	20	40.3 Å²	40.3	9%	0.093	22%	0.218	C	C	.	.	S	Bend	trans	-90.8	-23.7	171.1	-67.6	89.2	0	0	0	112.2	R196 F340 W405 Y410	R196-H198 PolarHBondContact NE-CE1 2.84Å; R196-H198 PolarHBondContact NE-ND1 3Å; R196-H198 PolarHBondContact NE-NE2 3.04Å; R196-H198 VanDerWaalsContact NE-NE2 3.19Å; R196-H198 PolarHBondContact NH2-CD2 3.49Å; R196-H198 PolarHBondContact NH2-NE2 2.82Å; H198-F340 HydrophobicContact CB-CD2 4.4Å; H198-F340 AromaticContact CE1-CD2 3.96Å; H198-F340 AromaticContact CE1-CE2 3.23Å; H198-F340 WeakPolarHBondContact CE1-CE2 3.24Å; H198-F340 AromaticContact CE1-CZ 3.92Å; H198-F340 AromaticContact ND1-CD2 3.56Å; H198-F340 AromaticContact ND1-CE2 3.29Å; H198-F340 VanDerWaalsContact ND1-CE2 3.29Å; H198-F340 WeakPolarHBondContact ND1-CE2 3.13Å; H198-F340 AromaticContact NE2-CE2 3.98Å; H198-W405 HydrophobicContact CB-CZ2 4.06Å; H198-W405 AromaticContact CD2-CD1 3.65Å; H198-W405 AromaticContact CD2-CE2 3.88Å; H198-W405 AromaticContact CD2-NE1 3.12Å; H198-W405 PolarHBondContact CD2-NE1 3.03Å; H198-W405 AromaticContact CG-NE1 3.79Å; H198-W405 AromaticContact NE2-CD1 3.51Å; H198-W405 AromaticContact NE2-NE1 3.53Å; H198-Y410 PolarHBondContact CE1-OH 2.85Å; H198-Y410 AromaticContact NE2-CE2 3.92Å; H198-Y410 AromaticContact NE2-CZ 3.79Å; H198-Y410 PolarHBondContact NE2-OH 2.6Å
199	L	92.3	Very high	96.4	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	22%	0.22	C	C	.	.	S	Bend	trans	-140.7	170.5	-170	-67.3	173.2	0	0	0	108.8	V119 Y120 D332 D334 W405	V119-L199 HydrophobicContact CG1-CD2 3.95Å; Y120-L199 HydrophobicContact CE1-CD2 4.11Å; L199-D332 HydrophobicContact CB-CB 3.97Å; L199-D332 HydrophobicContact CD1-CB 4.08Å; L199-D332 VanDerWaalsContact CD1-O 3.27Å; L199-D332 WeakPolarHBondContact CD1-O 3.41Å; L199-D334 HydrophobicContact CD1-CB 4.36Å; L199-D334 HydrophobicContact CD2-CB 3.94Å; L199-W405 HydrophobicContact CD1-CH2 3.99Å
200	P	92.9	Very high	96.6	Very high	24 Å²	24	42.8 Å²	42.8	16%	0.156	22%	0.222	C	C	.	.	P	Polyproline II helix	trans	-55.4	152.6	172.5	-25.1	35.1	0	0	0	112.8	I154 Y155 P202	I154-P200 HydrophobicContact CB-CG 4.22Å; I154-P200 HydrophobicContact CD1-CG 3.7Å; I154-P200 HydrophobicContact CG1-CG 3.79Å; I154-P200 WeakPolarHBondContact O-CB 3.49Å; Y155-P200 HydrophobicContact CD1-CB 4.06Å; Y155-P200 HydrophobicContact CD1-CG 3.94Å; Y155-P200 HydrophobicContact CE1-CB 4.11Å; Y155-P200 HydrophobicContact CE1-CG 3.68Å; Y155-P200 HydrophobicContact CE2-CG 4.39Å; Y155-P200 HydrophobicContact CG-CG 4.4Å; P200-P202 WeakPolarHBondContact O-CD 3.28Å
201	V	97	Very high	96.6	Very high	3 Å²	3	41.4 Å²	41.4	2%	0.018	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-79.1	118.4	179.6	-179.3	0	0	0	0	109.4	D158 P159 N197 D203 R369 D370 W390	D158-V201 WeakPolarHBondContact OD1-CB 3.27Å; D158-V201 PolarHBondContact OD1-N 2.85Å; P159-V201 HydrophobicContact CG-CG1 4.44Å; P159-V201 HydrophobicContact CG-CG2 4.41Å; N197-V201 VanDerWaalsContact ND2-CG2 3.28Å; N197-V201 WeakPolarHBondContact ND2-CG2 3.39Å; V201-D203 PolarHBondContact O-N 3.05Å; V201-R369 HydrophobicContact CG1-CB 3.82Å; V201-R369 WeakPolarHBondContact CG1-O 3.18Å; V201-R369 PolarHBondContact O-NH2 3.13Å; V201-R369 VanDerWaalsContact O-NH2 3.09Å; V201-D370 WeakPolarHBondContact CG2-OD1 3.22Å; V201-W390 HydrophobicContact CB-CZ2 4.28Å; V201-W390 HydrophobicContact CG1-CZ2 3.93Å; V201-W390 HydrophobicContact CG2-CZ2 4.02Å
202	P	96.6	Very high	96.7	Very high	20 Å²	20	40 Å²	40	13%	0.13	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-54.8	141.4	176.9	-27.3	37	0	0	0	112.1	P200 V204 L331 D332 R369 W390	P200-P202 WeakPolarHBondContact O-CD 3.28Å; P202-V204 HydrophobicContact CB-CG2 3.79Å; P202-L331 HydrophobicContact CB-CB 4.15Å; P202-L331 HydrophobicContact CG-CB 3.99Å; P202-D332 HydrophobicContact CG-CB 3.94Å; P202-R369 PolarHBondContact O-NE 3.16Å; P202-R369 PolarHBondContact O-NH2 3.25Å; P202-R369 VanDerWaalsContact O-NH2 3.1Å; P202-W390 HydrophobicContact CB-CG 4.47Å; P202-W390 HydrophobicContact CG-CB 4.06Å; P202-W390 HydrophobicContact CG-CD2 4.04Å; P202-W390 HydrophobicContact CG-CE3 4.44Å; P202-W390 HydrophobicContact CG-CG 3.85Å
203	D	94.8	Very high	96.8	Very high	127 Å²	127	39 Å²	39	68%	0.679	20%	0.199	S	C	*	.			trans	-96	113.7	165.7	-163.2	13.1	0	0	0	108	V201 R369	V201-D203 PolarHBondContact O-N 3.05Å; D203-R369 IonicContact OD1-CZ 2.64Å; D203-R369 IonicContact OD1-NE 2.71Å
204	V	97.2	Very high	96.7	Very high	19 Å²	19	41 Å²	41	12%	0.115	21%	0.21	C	C	.	.			trans	-120.7	116.5	-166.9	-174.4	0	0	0	0	109.2	P202 P206 Y209 L331 P374	P202-V204 HydrophobicContact CB-CG2 3.79Å; V204-P206 WeakPolarHBondContact O-CD 3.43Å; V204-Y209 HydrophobicContact CG1-CD2 3.65Å; V204-Y209 HydrophobicContact CG1-CG 4.16Å; V204-L331 HydrophobicContact CG1-CD1 4.27Å; V204-L331 HydrophobicContact CG2-CD1 3.8Å; V204-P374 HydrophobicContact CG1-CG 4.15Å
205	D	97.4	Very high	96.7	Very high	71 Å²	71	40.7 Å²	40.7	38%	0.38	21%	0.209	S	C	.	.			trans	-78.3	117.1	169.6	166	24	0	0	0	110	E207 T208 Y209	D205-E207 PolarHBondContact O-N 3.45Å; D205-E207 PolarHBondContact OD1-N 3Å; D205-T208 WeakPolarHBondContact CB-OG1 3.5Å; D205-T208 PolarHBondContact O-N 2.68Å; D205-T208 PolarHBondContact O-OG1 3.46Å; D205-T208 WeakPolarHBondContact OD2-CB 3.27Å; D205-T208 VanDerWaalsContact OD2-CG2 3.23Å; D205-T208 WeakPolarHBondContact OD2-CG2 2.96Å; D205-T208 PolarHBondContact OD2-N 2.93Å; D205-T208 PolarHBondContact OD2-OG1 3.26Å; D205-Y209 VanDerWaalsContact O-CB 3.28Å; D205-Y209 WeakPolarHBondContact O-CB 3.3Å; D205-Y209 PolarHBondContact O-N 3.44Å
206	P	96	Very high	96.5	Very high	57 Å²	57	45.2 Å²	45.2	37%	0.37	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-23	-178.5	26.5	-35.2	0	0	0	114.3	V204 L231 F373	V204-P206 WeakPolarHBondContact O-CD 3.43Å; P206-L231 HydrophobicContact CB-CD2 3.73Å; P206-F373 HydrophobicContact CB-CZ 4.22Å; P206-F373 HydrophobicContact CG-CZ 4.37Å
207	E	96.5	Very high	96.4	Very high	162 Å²	162	44.9 Å²	44.9	76%	0.757	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.1	-39	-178.8	-62	-170.8	171	0	0	111.9	D205 R210	D205-E207 PolarHBondContact O-N 3.45Å; D205-E207 PolarHBondContact OD1-N 3Å; E207-R210 PolarHBondContact O-NH1 3.02Å
208	T	97.5	Very high	96.4	Very high	94 Å²	94	45.2 Å²	45.2	58%	0.577	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	-20.8	178.3	54.3	0	0	0	0	113.1	D205 R210	D205-T208 WeakPolarHBondContact CB-OG1 3.5Å; D205-T208 PolarHBondContact O-N 2.68Å; D205-T208 PolarHBondContact O-OG1 3.46Å; D205-T208 WeakPolarHBondContact OD2-CB 3.27Å; D205-T208 VanDerWaalsContact OD2-CG2 3.23Å; D205-T208 WeakPolarHBondContact OD2-CG2 2.96Å; D205-T208 PolarHBondContact OD2-N 2.93Å; D205-T208 PolarHBondContact OD2-OG1 3.26Å; T208-R210 PolarHBondContact O-N 3.12Å; T208-R210 PolarHBondContact O-NH1 2.91Å
209	Y	98.5	Very high	96.3	Very high	10 Å²	10	51.3 Å²	51.3	4%	0.039	27%	0.273	C	S	.	.			trans	-53	135.8	177.3	172.3	-89.9	0	0	0	113	V204 D205 L211 L231 L331 P374 L375 L391	V204-Y209 HydrophobicContact CG1-CD2 3.65Å; V204-Y209 HydrophobicContact CG1-CG 4.16Å; D205-Y209 VanDerWaalsContact O-CB 3.28Å; D205-Y209 WeakPolarHBondContact O-CB 3.3Å; D205-Y209 PolarHBondContact O-N 3.44Å; Y209-L211 HydrophobicContact CE1-CB 4.26Å; Y209-L231 HydrophobicContact CD1-CB 3.87Å; Y209-L231 HydrophobicContact CE1-CB 4.42Å; Y209-L231 HydrophobicContact CE1-CD1 4.47Å; Y209-L331 HydrophobicContact CD2-CD1 4.09Å; Y209-L331 HydrophobicContact CE2-CD1 3.99Å; Y209-P374 HydrophobicContact CD1-CG 3.85Å; Y209-P374 HydrophobicContact CD2-CG 3.6Å; Y209-P374 HydrophobicContact CE1-CG 3.92Å; Y209-P374 HydrophobicContact CE2-CG 3.7Å; Y209-P374 HydrophobicContact CG-CG 3.67Å; Y209-L375 HydrophobicContact CE1-CD1 3.94Å; Y209-L375 HydrophobicContact CE1-CG 4.21Å; Y209-L375 WeakPolarHBondContact OH-CD1 3.41Å; Y209-L391 WeakPolarHBondContact CE2-O 3.19Å; Y209-L391 PolarHBondContact OH-O 3.11Å
210	R	98.4	Very high	96	Very high	82 Å²	82	54 Å²	54	31%	0.309	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	140.8	170.9	-58.3	-64.3	175.7	-95.9	-4.2	109.8	E207 T208 E212 S228 L229	E207-R210 PolarHBondContact O-NH1 3.02Å; T208-R210 PolarHBondContact O-N 3.12Å; T208-R210 PolarHBondContact O-NH1 2.91Å; R210-E212 WeakPolarHBondContact CB-OE1 3.46Å; R210-S228 WeakPolarHBondContact CB-OG 3.36Å; R210-S228 WeakPolarHBondContact CG-OG 3.22Å; R210-L229 WeakPolarHBondContact CA-O 3.4Å
211	L	98.7	Very high	95.7	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	114.6	162.5	178.2	64	0	0	0	108.1	Y209 I213 L229 I234 L297 V358 L375 L391 I394	Y209-L211 HydrophobicContact CE1-CB 4.26Å; L211-I213 HydrophobicContact CD2-CD1 4.47Å; L211-I213 HydrophobicContact CG-CG1 4.33Å; L211-L229 HydrophobicContact CB-CB 4.43Å; L211-L229 PolarHBondContact N-O 3.35Å; L211-L229 PolarHBondContact O-N 3.07Å; L211-I234 HydrophobicContact CB-CD1 3.85Å; L211-I234 HydrophobicContact CD2-CD1 3.78Å; L211-I234 HydrophobicContact CG-CD1 4.48Å; L211-L297 HydrophobicContact CD2-CD2 4.33Å; L211-V358 HydrophobicContact CD2-CG1 4.4Å; L211-L375 HydrophobicContact CB-CD1 4.31Å; L211-L375 HydrophobicContact CD2-CD1 4.03Å; L211-L391 HydrophobicContact CD1-CD2 3.71Å; L211-L391 HydrophobicContact CD1-CG 3.68Å; L211-I394 HydrophobicContact CD1-CD1 4.39Å; L211-I394 HydrophobicContact CD1-CG1 4.18Å; L211-I394 HydrophobicContact CD2-CD1 4.14Å
212	E	98.6	Very high	95.3	Very high	57 Å²	57	66.8 Å²	66.8	27%	0.266	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.4	175	-59.9	-59.5	139	0	0	109.9	R210 L227 S228 G392 Q393 I394	R210-E212 WeakPolarHBondContact CB-OE1 3.46Å; E212-L227 CarbonylContact C-O 3.58Å; E212-L227 WeakPolarHBondContact CA-O 3.43Å; E212-S228 VanDerWaalsContact OE1-CB 3.24Å; E212-S228 WeakPolarHBondContact OE1-CB 3.29Å; E212-S228 PolarHBondContact OE1-OG 3.09Å; E212-S228 WeakPolarHBondContact OE2-CB 3.13Å; E212-G392 PolarHBondContact N-O 3.03Å; E212-Q393 HydrophobicContact CB-CB 4.46Å; E212-Q393 HydrophobicContact CB-CG 4.23Å; E212-Q393 CarbonylContact O-C 3.54Å; E212-Q393 VanDerWaalsContact O-CA 3.31Å; E212-Q393 WeakPolarHBondContact O-CA 3.36Å; E212-I394 PolarHBondContact O-N 3.48Å
213	I	98.5	Very high	95	Very high	1 Å²	1	72 Å²	72	1%	0.005	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	119.8	172.5	-50.1	179.8	0	0	0	108.3	L211 L225 L227 L229 L297 L298 I394 L396	L211-I213 HydrophobicContact CD2-CD1 4.47Å; L211-I213 HydrophobicContact CG-CG1 4.33Å; I213-L225 HydrophobicContact CG2-CD2 4.47Å; I213-L227 HydrophobicContact CB-CB 4.19Å; I213-L227 HydrophobicContact CB-CD1 4.35Å; I213-L227 PolarHBondContact N-O 2.84Å; I213-L227 PolarHBondContact O-N 3.02Å; I213-L229 HydrophobicContact CD1-CD1 3.73Å; I213-L297 HydrophobicContact CD1-CD2 3.97Å; I213-L297 HydrophobicContact CD1-CG 4.17Å; I213-L298 HydrophobicContact CG2-CD2 4.2Å; I213-I394 VanDerWaalsContact CA-O 3.28Å; I213-I394 WeakPolarHBondContact CA-O 3.27Å; I213-I394 HydrophobicContact CG1-CB 4.28Å; I213-I394 HydrophobicContact CG2-CB 4.37Å; I213-L396 HydrophobicContact CG2-CD1 3.68Å
214	D	97.7	Very high	95	Very high	46 Å²	46	69.3 Å²	69.3	25%	0.246	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	164.4	-175.3	69.2	6.5	0	0	0	114.8	L225 Q393 I394 T395 L396	D214-L225 CarbonylContact C-O 3.58Å; D214-L225 VanDerWaalsContact CA-O 3.24Å; D214-L225 WeakPolarHBondContact CA-O 3.45Å; D214-Q393 PolarHBondContact OD2-NE2 3.15Å; D214-I394 PolarHBondContact N-O 2.76Å; D214-T395 WeakPolarHBondContact O-CA 3.36Å; D214-T395 WeakPolarHBondContact OD1-CA 3.31Å; D214-T395 WeakPolarHBondContact OD1-CB 3.36Å; D214-T395 VanDerWaalsContact OD1-CG2 3.24Å; D214-T395 WeakPolarHBondContact OD1-CG2 3.42Å; D214-T395 PolarHBondContact OD1-OG1 2.87Å; D214-L396 WeakPolarHBondContact O-CD1 3.43Å; D214-L396 PolarHBondContact O-N 3.23Å
215	S	97.9	Very high	94.9	Very high	3 Å²	3	68.8 Å²	68.8	2%	0.021	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	130.9	169.7	-167.8	0	0	0	0	110.3	V217 I218 P224 L225 L396	S215-V217 VanDerWaalsContact C-N 3.31Å; S215-V217 WeakPolarHBondContact OG-CG2 3.23Å; S215-V217 PolarHBondContact OG-N 2.78Å; S215-I218 WeakPolarHBondContact OG-CG1 3.21Å; S215-I218 PolarHBondContact OG-N 3.07Å; S215-P224 WeakPolarHBondContact O-CB 3.43Å; S215-L225 PolarHBondContact N-O 2.9Å; S215-L225 PolarHBondContact O-N 3.29Å; S215-L396 WeakPolarHBondContact CB-O 3.48Å; S215-L396 PolarHBondContact OG-O 3.41Å
216	S	94	Very high	94.9	Very high	99 Å²	99	73.4 Å²	73.4	69%	0.692	38%	0.381	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.6	-18.3	171	57	0	0	0	0	113.1
217	V	95.8	Very high	95	Very high	47 Å²	47	72.7 Å²	72.7	29%	0.285	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	-26	-174.6	-62.6	0	0	0	0	113.6	S215 V323 T398	S215-V217 VanDerWaalsContact C-N 3.31Å; S215-V217 WeakPolarHBondContact OG-CG2 3.23Å; S215-V217 PolarHBondContact OG-N 2.78Å; V217-V323 HydrophobicContact CG2-CG2 3.64Å; V217-T398 HydrophobicContact CG1-CG2 3.94Å
218	I	95.7	Very high	95	Very high	7 Å²	7	68.1 Å²	68.1	4%	0.036	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	127.2	171.3	-58.5	-70.8	0	0	0	109.4	S215 V220 P224 L225 L302 L317 L318 A321 V323 L396	S215-I218 WeakPolarHBondContact OG-CG1 3.21Å; S215-I218 PolarHBondContact OG-N 3.07Å; I218-V220 HydrophobicContact CG2-CG2 4.3Å; I218-P224 CarbonylContact O-C 3.26Å; I218-P224 WeakPolarHBondContact O-CA 3.43Å; I218-L225 HydrophobicContact CB-CB 4.13Å; I218-L225 HydrophobicContact CG2-CB 4.13Å; I218-L225 PolarHBondContact O-N 3.07Å; I218-L302 HydrophobicContact CG2-CD2 4.06Å; I218-L317 HydrophobicContact CD1-CD2 3.83Å; I218-L318 HydrophobicContact CD1-CD2 3.46Å; I218-L318 VanDerWaalsContact CD1-CD2 3.46Å; I218-L318 HydrophobicContact CG1-CD2 3.98Å; I218-A321 HydrophobicContact CD1-CB 3.3Å; I218-A321 HydrophobicContact CG1-CB 4.41Å; I218-V323 HydrophobicContact CD1-CG2 3.94Å; I218-V323 HydrophobicContact CG1-CG2 3.95Å; I218-L396 HydrophobicContact CG1-CD2 4.43Å
219	K	91	Very high	95.1	Very high	149 Å²	149	64.4 Å²	64.4	65%	0.648	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.8	124.9	174.2	-64.4	-174.8	-179.2	-178.1	0	111	Q223	K219-Q223 CarbonylContact C-O 3.56Å; K219-Q223 VanDerWaalsContact CA-O 3.23Å; K219-Q223 WeakPolarHBondContact CA-O 3.22Å
220	V	85.9	Confident	95.1	Very high	57 Å²	57	68.5 Å²	68.5	35%	0.345	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	122.7	170.3	-177.5	0	0	0	0	107.2	I218 N222 Q223 L225 L302	I218-V220 HydrophobicContact CG2-CG2 4.3Å; V220-N222 VanDerWaalsContact C-N 3.28Å; V220-N222 PolarHBondContact O-N 3Å; V220-Q223 PolarHBondContact N-O 2.88Å; V220-Q223 PolarHBondContact O-N 3.47Å; V220-Q223 VanDerWaalsContact O-O 3.12Å; V220-L225 HydrophobicContact CG2-CD1 3.93Å; V220-L302 HydrophobicContact CG2-CD2 4.24Å
221	N	86.5	Confident	95.1	Very high	153 Å²	153	65.3 Å²	65.3	82%	0.818	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.9	43.8	-174.8	-57.7	-34.2	0	0	0	113.4	Q223	N221-Q223 PolarHBondContact O-N 3.04Å; N221-Q223 VanDerWaalsContact O-N 3.12Å
222	N	87.7	Confident	95	Very high	142 Å²	142	70.4 Å²	70.4	76%	0.759	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	8	-176.1	-65.5	-25.4	0	0	0	116.2	V220	V220-N222 VanDerWaalsContact C-N 3.28Å; V220-N222 PolarHBondContact O-N 3Å
223	Q	90.9	Very high	94.9	Very high	129 Å²	129	70.5 Å²	70.5	60%	0.603	37%	0.37	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-110.3	149.8	174.3	-64.3	-58.3	-41.1	0	0	110.8	K219 V220 N221	K219-Q223 CarbonylContact C-O 3.56Å; K219-Q223 VanDerWaalsContact CA-O 3.23Å; K219-Q223 WeakPolarHBondContact CA-O 3.22Å; V220-Q223 PolarHBondContact N-O 2.88Å; V220-Q223 PolarHBondContact O-N 3.47Å; V220-Q223 VanDerWaalsContact O-O 3.12Å; N221-Q223 PolarHBondContact O-N 3.04Å; N221-Q223 VanDerWaalsContact O-N 3.12Å
224	P	93.8	Very high	94.9	Very high	70 Å²	70	70.5 Å²	70.5	46%	0.455	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.8	143.4	170.2	-24.3	34.4	0	0	0	111.3	S215 I218 K226	S215-P224 WeakPolarHBondContact O-CB 3.43Å; I218-P224 CarbonylContact O-C 3.26Å; I218-P224 WeakPolarHBondContact O-CA 3.43Å; P224-K226 PolarHBondContact O-N 3.33Å
225	L	96.5	Very high	94.9	Very high	8 Å²	8	71.3 Å²	71.3	4%	0.042	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	122.9	174.2	178.3	69.7	0	0	0	109.2	I213 D214 S215 I218 V220 L227 L302 L396	I213-L225 HydrophobicContact CG2-CD2 4.47Å; D214-L225 CarbonylContact C-O 3.58Å; D214-L225 VanDerWaalsContact CA-O 3.24Å; D214-L225 WeakPolarHBondContact CA-O 3.45Å; S215-L225 PolarHBondContact N-O 2.9Å; S215-L225 PolarHBondContact O-N 3.29Å; I218-L225 HydrophobicContact CB-CB 4.13Å; I218-L225 HydrophobicContact CG2-CB 4.13Å; I218-L225 PolarHBondContact O-N 3.07Å; V220-L225 HydrophobicContact CG2-CD1 3.93Å; L225-L227 HydrophobicContact CD1-CD1 4.01Å; L225-L227 HydrophobicContact CD1-CD2 4.21Å; L225-L227 HydrophobicContact CD1-CG 3.86Å; L225-L227 HydrophobicContact CG-CG 4.49Å; L225-L302 HydrophobicContact CD1-CD2 3.85Å; L225-L302 HydrophobicContact CD2-CD2 3.99Å; L225-L396 HydrophobicContact CD2-CD1 4.02Å; L225-L396 HydrophobicContact CD2-CD2 4.29Å
226	K	97	Very high	94.8	Very high	169 Å²	169	77.8 Å²	77.8	74%	0.735	40%	0.401	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147	111	171.8	-171	171.1	-175.1	173.3	0	109.4	P224	P224-K226 PolarHBondContact O-N 3.33Å
227	L	97.1	Very high	94.8	Very high	42 Å²	42	77 Å²	77	22%	0.22	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.8	178.1	-51.9	174	0	0	0	108.8	E212 I213 L225 L229 H301	E212-L227 CarbonylContact C-O 3.58Å; E212-L227 WeakPolarHBondContact CA-O 3.43Å; I213-L227 HydrophobicContact CB-CB 4.19Å; I213-L227 HydrophobicContact CB-CD1 4.35Å; I213-L227 PolarHBondContact N-O 2.84Å; I213-L227 PolarHBondContact O-N 3.02Å; L225-L227 HydrophobicContact CD1-CD1 4.01Å; L225-L227 HydrophobicContact CD1-CD2 4.21Å; L225-L227 HydrophobicContact CD1-CG 3.86Å; L225-L227 HydrophobicContact CG-CG 4.49Å; L227-L229 HydrophobicContact CB-CD2 4.44Å; L227-H301 HydrophobicContact CD1-CB 3.67Å; L227-H301 VanDerWaalsContact CD1-CG 3.48Å
228	S	98.1	Very high	94.8	Very high	65 Å²	65	75.6 Å²	75.6	46%	0.455	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	107.5	171.9	-177.5	0	0	0	0	107.6	R210 E212	R210-S228 WeakPolarHBondContact CB-OG 3.36Å; R210-S228 WeakPolarHBondContact CG-OG 3.22Å; E212-S228 VanDerWaalsContact OE1-CB 3.24Å; E212-S228 WeakPolarHBondContact OE1-CB 3.29Å; E212-S228 PolarHBondContact OE1-OG 3.09Å; E212-S228 WeakPolarHBondContact OE2-CB 3.13Å
229	L	98.3	Very high	94.6	Very high	16 Å²	16	79.3 Å²	79.3	8%	0.084	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	129.9	-172.8	-56.1	-177.3	0	0	0	110.4	R210 L211 I213 L227 I234 L297	R210-L229 WeakPolarHBondContact CA-O 3.4Å; L211-L229 HydrophobicContact CB-CB 4.43Å; L211-L229 PolarHBondContact N-O 3.35Å; L211-L229 PolarHBondContact O-N 3.07Å; I213-L229 HydrophobicContact CD1-CD1 3.73Å; L227-L229 HydrophobicContact CB-CD2 4.44Å; L229-I234 HydrophobicContact CB-CD1 3.95Å; L229-I234 HydrophobicContact CB-CG1 4.1Å; L229-I234 HydrophobicContact CD1-CD1 4.44Å; L229-I234 HydrophobicContact CD1-CG1 4.34Å; L229-L297 HydrophobicContact CD1-CD1 3.94Å
230	K	98.3	Very high	94.8	Very high	97 Å²	97	76.8 Å²	76.8	42%	0.422	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	148.8	170.7	-58.9	-176.1	175	-179.4	0	110.2	E232 D233 I234	K230-E232 VanDerWaalsContact C-N 3.27Å; K230-E232 PolarHBondContact O-N 2.9Å; K230-D233 HydrophobicContact CB-CB 4.45Å; K230-D233 WeakPolarHBondContact CB-OD2 3.46Å; K230-D233 PolarHBondContact O-N 2.97Å; K230-I234 PolarHBondContact O-N 2.64Å
231	L	98.2	Very high	95.2	Very high	15 Å²	15	76.9 Å²	76.9	8%	0.079	39%	0.39	C	S	.	.	H	α-helix	trans	-54.9	-46.2	173.1	-177.2	59.4	0	0	0	111.5	P206 Y209 D233 I234 L235 P374 L375	P206-L231 HydrophobicContact CB-CD2 3.73Å; Y209-L231 HydrophobicContact CD1-CB 3.87Å; Y209-L231 HydrophobicContact CE1-CB 4.42Å; Y209-L231 HydrophobicContact CE1-CD1 4.47Å; L231-D233 VanDerWaalsContact C-N 3.28Å; L231-D233 PolarHBondContact O-N 3.1Å; L231-I234 WeakPolarHBondContact O-CB 3.24Å; L231-I234 PolarHBondContact O-N 2.79Å; L231-I234 VanDerWaalsContact O-N 3.11Å; L231-L235 HydrophobicContact CD1-CD1 4.39Å; L231-L235 HydrophobicContact CD1-CG 4.28Å; L231-L235 HydrophobicContact CG-CD1 3.98Å; L231-L235 HydrophobicContact CG-CG 4.3Å; L231-L235 VanDerWaalsContact O-CG 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.22Å; L231-L235 PolarHBondContact O-N 2.88Å; L231-P374 HydrophobicContact CD1-CB 3.97Å; L231-P374 HydrophobicContact CD1-CG 4.47Å; L231-P374 HydrophobicContact CD2-CB 3.58Å; L231-P374 HydrophobicContact CD2-CG 4.24Å; L231-P374 HydrophobicContact CG-CB 4.41Å; L231-L375 HydrophobicContact CD1-CD1 4.42Å; L231-L375 HydrophobicContact CD1-CD2 3.93Å; L231-L375 HydrophobicContact CD1-CG 4.02Å
232	E	97.5	Very high	95.5	Very high	107 Å²	107	71.3 Å²	71.3	50%	0.5	36%	0.363	S	S	.	.	H	α-helix	trans	-56.3	-41.1	179.9	-174.7	-178.7	-178.2	0	0	112.7	K230 L235 K236	K230-E232 VanDerWaalsContact C-N 3.27Å; K230-E232 PolarHBondContact O-N 2.9Å; E232-L235 PolarHBondContact O-N 3.16Å; E232-K236 HydrophobicContact CG-CD 3.91Å; E232-K236 WeakPolarHBondContact O-CB 3.45Å; E232-K236 WeakPolarHBondContact O-CG 3.46Å; E232-K236 PolarHBondContact O-N 2.77Å; E232-K236 WeakPolarHBondContact OE1-CE 3.14Å; E232-K236 IonicContact OE1-NZ 2.7Å; E232-K236 PolarHBondContact OE1-NZ 3.16Å
233	D	97	Very high	95.7	Very high	59 Å²	59	64.8 Å²	64.8	32%	0.316	33%	0.328	S	S	.	.	H	α-helix	trans	-67.4	-39.1	178.6	-68	-43.2	0	0	0	111.4	K230 L231 L235 K236 N237 Y238	K230-D233 HydrophobicContact CB-CB 4.45Å; K230-D233 WeakPolarHBondContact CB-OD2 3.46Å; K230-D233 PolarHBondContact O-N 2.97Å; L231-D233 VanDerWaalsContact C-N 3.28Å; L231-D233 PolarHBondContact O-N 3.1Å; D233-L235 VanDerWaalsContact C-N 3.33Å; D233-K236 PolarHBondContact O-N 3.11Å; D233-N237 VanDerWaalsContact O-CB 3.22Å; D233-N237 WeakPolarHBondContact O-CB 3.44Å; D233-N237 PolarHBondContact O-N 2.85Å; D233-N237 PolarHBondContact O-ND2 3.32Å; D233-N237 PolarHBondContact OD1-ND2 3.39Å; D233-Y238 WeakPolarHBondContact O-CD2 3.48Å; D233-Y238 WeakPolarHBondContact O-CE2 3.28Å
234	I	97.5	Very high	95.8	Very high	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-63.2	-42.5	175.6	-64.1	169.4	0	0	0	110.5	L211 L229 K230 L231 Y238 V292 L375	L211-I234 HydrophobicContact CB-CD1 3.85Å; L211-I234 HydrophobicContact CD2-CD1 3.78Å; L211-I234 HydrophobicContact CG-CD1 4.48Å; L229-I234 HydrophobicContact CB-CD1 3.95Å; L229-I234 HydrophobicContact CB-CG1 4.1Å; L229-I234 HydrophobicContact CD1-CD1 4.44Å; L229-I234 HydrophobicContact CD1-CG1 4.34Å; K230-I234 PolarHBondContact O-N 2.64Å; L231-I234 WeakPolarHBondContact O-CB 3.24Å; L231-I234 PolarHBondContact O-N 2.79Å; L231-I234 VanDerWaalsContact O-N 3.11Å; I234-Y238 HydrophobicContact CG1-CE2 4.32Å; I234-Y238 WeakPolarHBondContact O-CD2 3.22Å; I234-V292 HydrophobicContact CG2-CG2 4.03Å; I234-L375 HydrophobicContact CD1-CD1 3.58Å; I234-L375 HydrophobicContact CG2-CD1 4.49Å
235	L	97.2	Very high	95.9	Very high	63 Å²	63	56.4 Å²	56.4	33%	0.33	28%	0.284	S	S	.	.	H	α-helix	trans	-68.9	-33.2	179.9	-65.2	177.1	0	0	0	113	L231 E232 D233 H240 F360	L231-L235 HydrophobicContact CD1-CD1 4.39Å; L231-L235 HydrophobicContact CD1-CG 4.28Å; L231-L235 HydrophobicContact CG-CD1 3.98Å; L231-L235 HydrophobicContact CG-CG 4.3Å; L231-L235 VanDerWaalsContact O-CG 3.31Å; L231-L235 WeakPolarHBondContact O-CG 3.22Å; L231-L235 PolarHBondContact O-N 2.88Å; E232-L235 PolarHBondContact O-N 3.16Å; D233-L235 VanDerWaalsContact C-N 3.33Å; L235-H240 PolarHBondContact O-CE1 2.64Å; L235-H240 PolarHBondContact O-NE2 3Å; L235-F360 HydrophobicContact CD2-CB 3.8Å; L235-F360 HydrophobicContact CD2-CD1 3.71Å; L235-F360 HydrophobicContact CD2-CD2 3.28Å; L235-F360 HydrophobicContact CD2-CE1 4.07Å; L235-F360 HydrophobicContact CD2-CE2 3.75Å; L235-F360 HydrophobicContact CD2-CG 3.31Å; L235-F360 HydrophobicContact CD2-CZ 4.12Å
236	K	96.5	Very high	95.9	Very high	140 Å²	140	56 Å²	56	61%	0.609	28%	0.282	S	S	*	.	H	α-helix	trans	-96.4	-38.3	-173.3	-69.9	-179.1	179.6	-179.1	0	114.6	E232 D233	E232-K236 HydrophobicContact CG-CD 3.91Å; E232-K236 WeakPolarHBondContact O-CB 3.45Å; E232-K236 WeakPolarHBondContact O-CG 3.46Å; E232-K236 PolarHBondContact O-N 2.77Å; E232-K236 WeakPolarHBondContact OE1-CE 3.14Å; E232-K236 IonicContact OE1-NZ 2.7Å; E232-K236 PolarHBondContact OE1-NZ 3.16Å; D233-K236 PolarHBondContact O-N 3.11Å
237	N	94.9	Very high	96	Very high	83 Å²	83	48 Å²	48	44%	0.444	25%	0.248	S	C	.	.	H	α-helix	trans	-100.8	-5.5	-158.7	-58.7	-29.9	0	0	0	114.7	D233	D233-N237 VanDerWaalsContact O-CB 3.22Å; D233-N237 WeakPolarHBondContact O-CB 3.44Å; D233-N237 PolarHBondContact O-N 2.85Å; D233-N237 PolarHBondContact O-ND2 3.32Å; D233-N237 PolarHBondContact OD1-ND2 3.39Å
238	Y	95	Very high	96	Very high	17 Å²	17	46 Å²	46	7%	0.067	24%	0.237	C	C	.	.	S	Bend	trans	-119.3	149.3	-175.6	-56	-92.9	0	0	0	111.7	D233 I234 H240 V292 L297 Y300 H301	D233-Y238 WeakPolarHBondContact O-CD2 3.48Å; D233-Y238 WeakPolarHBondContact O-CE2 3.28Å; I234-Y238 HydrophobicContact CG1-CE2 4.32Å; I234-Y238 WeakPolarHBondContact O-CD2 3.22Å; Y238-H240 PolarHBondContact O-CD2 3Å; Y238-H240 PolarHBondContact O-N 3.17Å; Y238-V292 HydrophobicContact CD1-CG1 4.35Å; Y238-V292 HydrophobicContact CG-CG1 4.13Å; Y238-V292 HydrophobicContact CG-CG2 4.27Å; Y238-L297 HydrophobicContact CD1-CD1 3.98Å; Y238-L297 HydrophobicContact CE1-CD1 3.52Å; Y238-L297 HydrophobicContact CE2-CD1 4.34Å; Y238-Y300 HydrophobicContact CD1-CD2 4.26Å; Y238-Y300 HydrophobicContact CD1-CG 4.13Å; Y238-Y300 AromaticContact CE1-CD1 3.72Å; Y238-Y300 HydrophobicContact CE1-CD1 3.72Å; Y238-Y300 HydrophobicContact CE1-CD2 4.22Å; Y238-Y300 HydrophobicContact CE1-CE1 4.27Å; Y238-Y300 AromaticContact CE1-CG 3.7Å; Y238-Y300 HydrophobicContact CE1-CG 3.7Å; Y238-H301 AromaticContact CE1-NE2 3.95Å; Y238-H301 AromaticContact CZ-NE2 3.78Å; Y238-H301 PolarHBondContact OH-CE1 2.87Å; Y238-H301 PolarHBondContact OH-NE2 3.1Å
239	P	92.2	Very high	96.1	Very high	85 Å²	85	43.3 Å²	43.3	55%	0.552	22%	0.218	S	C	*	.			trans	-59.6	131.3	173.5	-22	33.5	0	0	0	111.7
240	H	95	Very high	96	Very high	95 Å²	95	42.6 Å²	42.6	44%	0.44	21%	0.214	S	C	.	.			trans	-89.4	141.9	176.6	-61.9	176	0	0	0	110.7	L235 Y238 T290 G291 F360	L235-H240 PolarHBondContact O-CE1 2.64Å; L235-H240 PolarHBondContact O-NE2 3Å; Y238-H240 PolarHBondContact O-CD2 3Å; Y238-H240 PolarHBondContact O-N 3.17Å; H240-T290 HydrophobicContact CB-CG2 4.27Å; H240-G291 CarbonylContact C-O 3.59Å; H240-G291 WeakPolarHBondContact CA-O 3.42Å; H240-F360 AromaticContact CD2-CZ 3.66Å; H240-F360 AromaticContact CE1-CZ 3.56Å; H240-F360 AromaticContact CG-CZ 3.71Å; H240-F360 AromaticContact ND1-CZ 3.64Å; H240-F360 AromaticContact NE2-CZ 3.57Å
241	K	93.2	Very high	95.9	Very high	59 Å²	59	38 Å²	38	26%	0.257	19%	0.194	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	129.7	172.9	178.2	71.7	178.2	-162.8	0	108.5	T290 G291 L293 E355 I357	K241-T290 VanDerWaalsContact O-CA 3.3Å; K241-T290 WeakPolarHBondContact O-CA 3.16Å; K241-G291 PolarHBondContact N-O 2.8Å; K241-G291 PolarHBondContact O-N 2.93Å; K241-L293 HydrophobicContact CB-CD2 4.49Å; K241-L293 HydrophobicContact CB-CG 4.12Å; K241-L293 HydrophobicContact CG-CD2 4.2Å; K241-L293 HydrophobicContact CG-CG 4.27Å; K241-E355 WeakPolarHBondContact CE-OE1 3.41Å; K241-E355 IonicContact NZ-OE1 3.76Å; K241-E355 PolarHBondContact NZ-OE1 2.57Å; K241-I357 HydrophobicContact CB-CD1 4.43Å; K241-I357 HydrophobicContact CG-CD1 4.04Å
242	S	94.2	Very high	95.9	Very high	37 Å²	37	37.2 Å²	37.2	26%	0.259	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	147.2	164.7	-65.7	0	0	0	0	110	W289 T290 A493	S242-W289 CarbonylContact C-O 3.14Å; S242-W289 WeakPolarHBondContact CA-O 3.38Å; S242-T290 WeakPolarHBondContact OG-CG2 3.4Å; S242-T290 PolarHBondContact OG-OG1 2.83Å; S242-A493 WeakPolarHBondContact O-CB 3.27Å
243	L	91.6	Very high	95.9	Very high	4 Å²	4	32.2 Å²	32.2	2%	0.021	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152	154.7	163.3	65.9	82.6	0	0	0	111.2	S245 E288 W289 E355 I357 P380 A493	L243-S245 VanDerWaalsContact CD1-CB 3.46Å; L243-E288 CarbonylContact O-C 3.55Å; L243-E288 WeakPolarHBondContact O-CA 3.01Å; L243-W289 PolarHBondContact N-O 2.8Å; L243-W289 PolarHBondContact O-N 2.8Å; L243-E355 HydrophobicContact CD2-CB 3.68Å; L243-I357 HydrophobicContact CD2-CD1 3.34Å; L243-I357 HydrophobicContact CD2-CG1 4.3Å; L243-I357 HydrophobicContact CG-CD1 3.6Å; L243-P380 HydrophobicContact CD1-CG 3.93Å; L243-P380 HydrophobicContact CD2-CG 3.74Å; L243-A493 HydrophobicContact CB-CB 4.38Å
244	V	93.4	Very high	95.8	Very high	23 Å²	23	30 Å²	30	14%	0.139	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	123.7	171.9	-179.2	0	0	0	0	108.7	I187 T286 A287 E288 W515 A516	I187-V244 HydrophobicContact CD1-CB 4.45Å; I187-V244 HydrophobicContact CD1-CG1 3.41Å; I187-V244 VanDerWaalsContact CD1-CG1 3.41Å; I187-V244 HydrophobicContact CD1-CG2 4.14Å; V244-T286 HydrophobicContact CG1-CG2 3.57Å; V244-A287 WeakPolarHBondContact CA-O 3.44Å; V244-E288 HydrophobicContact CG2-CB 4.28Å; V244-W515 WeakPolarHBondContact O-CB 3.24Å; V244-A516 HydrophobicContact CG1-CB 3.78Å
245	S	95	Very high	95.6	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	141.8	176.1	-175	0	0	0	0	112.8	L243 A287 W289 W515	L243-S245 VanDerWaalsContact CD1-CB 3.46Å; S245-A287 PolarHBondContact N-O 3.07Å; S245-A287 PolarHBondContact O-N 2.92Å; S245-W289 PolarHBondContact O-NE1 3.15Å; S245-W515 WeakPolarHBondContact CA-O 3.35Å; S245-W515 PolarHBondContact OG-O 3.29Å
246	T	97.4	Very high	95.4	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.5	129.5	169.5	-59.8	0	0	0	0	110.4	I284 S285 T286 F461 W515 A516 W517	T246-I284 HydrophobicContact CG2-CD1 3.65Å; T246-I284 HydrophobicContact CG2-CG1 3.37Å; T246-S285 CarbonylContact C-O 3.59Å; T246-S285 VanDerWaalsContact CA-O 3.29Å; T246-S285 WeakPolarHBondContact CA-O 3.49Å; T246-T286 PolarHBondContact OG1-OG1 3.25Å; T246-F461 HydrophobicContact CG2-CD2 4.14Å; T246-F461 HydrophobicContact CG2-CE2 4.21Å; T246-F461 HydrophobicContact CG2-CG 4.37Å; T246-F461 HydrophobicContact CG2-CZ 4.5Å; T246-W515 PolarHBondContact N-O 2.61Å; T246-A516 VanDerWaalsContact OG1-CA 3.28Å; T246-A516 WeakPolarHBondContact OG1-CA 3.04Å; T246-W517 PolarHBondContact OG1-N 2.98Å
247	I	98.3	Very high	95.2	Very high	2 Å²	2	22.1 Å²	22.1	1%	0.01	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	131.2	165	-54.9	-173.6	0	0	0	107.4	F193 F194 I284 S285 W289 I378	F193-I247 HydrophobicContact CE1-CB 4.49Å; F193-I247 HydrophobicContact CZ-CB 4.02Å; F193-I247 HydrophobicContact CZ-CD1 4.08Å; F193-I247 HydrophobicContact CZ-CG1 4.1Å; F194-I247 HydrophobicContact CE1-CB 4.02Å; F194-I247 HydrophobicContact CE1-CG2 3.98Å; F194-I247 VanDerWaalsContact CE1-O 3.27Å; F194-I247 WeakPolarHBondContact CE1-O 3.48Å; F194-I247 HydrophobicContact CZ-CB 4.33Å; F194-I247 HydrophobicContact CZ-CG2 3.76Å; I247-I284 WeakPolarHBondContact O-CA 2.94Å; I247-S285 PolarHBondContact N-O 2.74Å; I247-S285 PolarHBondContact O-N 2.78Å; I247-W289 HydrophobicContact CD1-CH2 3.9Å; I247-W289 HydrophobicContact CD1-CZ2 3.36Å; I247-W289 HydrophobicContact CG1-CZ2 3.97Å; I247-I378 HydrophobicContact CD1-CD1 3.84Å
248	V	98.3	Very high	95	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	131.7	174.4	60	0	0	0	0	109.7	N252 I284 I383 G384 Y433 F461	V248-N252 HydrophobicContact CG2-CB 3.87Å; V248-I284 HydrophobicContact CB-CB 4.41Å; V248-I284 HydrophobicContact CB-CD1 4.09Å; V248-I284 HydrophobicContact CB-CG1 4.03Å; V248-I284 HydrophobicContact CG2-CB 4.22Å; V248-I284 HydrophobicContact CG2-CD1 4.09Å; V248-I284 HydrophobicContact CG2-CG1 4.23Å; V248-I383 CarbonylContact O-C 3.55Å; V248-I383 WeakPolarHBondContact O-CA 3.42Å; V248-G384 PolarHBondContact O-N 2.79Å; V248-Y433 HydrophobicContact CB-CD2 4.35Å; V248-Y433 HydrophobicContact CG1-CD1 4.39Å; V248-Y433 HydrophobicContact CG1-CD2 3.55Å; V248-Y433 HydrophobicContact CG1-CE2 4.34Å; V248-Y433 HydrophobicContact CG1-CG 3.59Å; V248-Y433 HydrophobicContact CG2-CD1 4.4Å; V248-Y433 HydrophobicContact CG2-CD2 3.82Å; V248-Y433 HydrophobicContact CG2-CE1 4.38Å; V248-Y433 HydrophobicContact CG2-CE2 3.74Å; V248-Y433 HydrophobicContact CG2-CG 4.17Å; V248-F461 HydrophobicContact CG1-CD1 4.15Å; V248-F461 HydrophobicContact CG1-CE1 3.73Å
249	C	98.2	Very high	94.8	Very high	8 Å²	8	25.2 Å²	25.2	5%	0.054	13%	0.131	C	C	.	.			trans	-68.6	137.8	169.9	-172.4	0	0	0	0	109.2	F194 G251 N252 A283 Y433	F194-C249 HydrophobicContact CE2-CB 4.06Å; C249-G251 PolarHBondContact O-N 2.98Å; C249-G251 PolarHBondContact SG-N 3.17Å; C249-N252 WeakPolarHBondContact O-CB 3.47Å; C249-N252 PolarHBondContact O-N 2.62Å; C249-A283 HydrophobicContact CB-CB 3.8Å; C249-A283 PolarHBondContact N-O 3.45Å; C249-Y433 WeakPolarHBondContact O-CE2 3.49Å
250	A	97.7	Very high	94.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-23.5	173.8	0	0	0	0	0	112.9	I383 Y410 L560 L561	A250-I383 HydrophobicContact CB-CB 4.17Å; A250-I383 HydrophobicContact CB-CD1 3.75Å; A250-I383 HydrophobicContact CB-CG2 4.12Å; A250-Y410 HydrophobicContact CB-CD1 3.74Å; A250-Y410 HydrophobicContact CB-CE1 4.12Å; A250-L560 HydrophobicContact CB-CD2 3.86Å; A250-L560 CarbonylContact O-C 3.55Å; A250-L560 VanDerWaalsContact O-CA 3.23Å; A250-L560 WeakPolarHBondContact O-CA 3.16Å; A250-L561 PolarHBondContact O-N 3.04Å
251	G	95.9	Very high	94.5	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	8.8	175.4	0	0	0	0	0	115.2	C249 R253 R254 W279	C249-G251 PolarHBondContact O-N 2.98Å; C249-G251 PolarHBondContact SG-N 3.17Å; G251-R253 PolarHBondContact O-N 2.85Å; G251-R254 VanDerWaalsContact O-CB 3.23Å; G251-R254 WeakPolarHBondContact O-CB 3.45Å; G251-R254 PolarHBondContact O-N 2.66Å; G251-W279 WeakPolarHBondContact O-CB 3.18Å; G251-W279 VanDerWaalsContact O-CD1 3.28Å
252	N	98	Very high	94.2	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	10%	0.101	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.2	136.7	176.1	-166.9	35.7	0	0	0	109.8	V248 C249 R254 S280 E281 A283 Y433 Y459 S562	V248-N252 HydrophobicContact CG2-CB 3.87Å; C249-N252 WeakPolarHBondContact O-CB 3.47Å; C249-N252 PolarHBondContact O-N 2.62Å; N252-R254 VanDerWaalsContact C-N 3.26Å; N252-R254 PolarHBondContact O-N 3.14Å; N252-S280 PolarHBondContact OD1-O 3.08Å; N252-E281 VanDerWaalsContact OD1-C 3.28Å; N252-E281 PolarHBondContact OD1-O 2.83Å; N252-A283 HydrophobicContact CB-CB 4.07Å; N252-A283 WeakPolarHBondContact OD1-CB 3.41Å; N252-A283 PolarHBondContact OD1-N 3.09Å; N252-Y433 PolarHBondContact O-OH 3.43Å; N252-Y459 PolarHBondContact ND2-OH 3.07Å; N252-S562 WeakPolarHBondContact O-CB 3.22Å
253	R	97.3	Very high	94	Very high	1 Å²	1	25.1 Å²	25.1	0%	0.004	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	60	28.3	-174.6	-52.1	177.3	62.8	-156.1	-16.1	114.9	G251 S255 D256 S280 E281 S437 V438 S562 C564	G251-R253 PolarHBondContact O-N 2.85Å; R253-S255 PolarHBondContact O-N 3.23Å; R253-D256 IonicContact CZ-OD2 3.32Å; R253-D256 VanDerWaalsContact CZ-OD2 3.22Å; R253-D256 IonicContact NE-OD2 2.66Å; R253-D256 PolarHBondContact NE-OD2 3.22Å; R253-D256 IonicContact NH2-OD2 3.99Å; R253-D256 PolarHBondContact NH2-OD2 3.07Å; R253-D256 PolarHBondContact O-N 2.95Å; R253-S280 WeakPolarHBondContact CA-O 3.42Å; R253-S280 PolarHBondContact N-O 3.06Å; R253-E281 HydrophobicContact CG-CB 4.3Å; R253-E281 HydrophobicContact CG-CG 4.2Å; R253-S437 PolarHBondContact NH1-O 2.87Å; R253-V438 VanDerWaalsContact CD-CG2 3.49Å; R253-V438 HydrophobicContact CG-CG2 4.32Å; R253-S562 WeakPolarHBondContact O-CB 3.43Å; R253-S562 PolarHBondContact O-OG 2.89Å; R253-C564 PolarHBondContact NH1-O 3.04Å; R253-C564 PolarHBondContact NH2-O 3.27Å
254	R	95.5	Very high	93.8	Very high	12 Å²	12	26.5 Å²	26.5	5%	0.045	12%	0.124	C	C	.	.	H	α-helix	trans	-58	-34.2	173.2	-179.1	173.8	-62.8	104.4	-0.9	111.4	G251 N252 D256 M257 I258 V274 L277 W279 R558 G559	G251-R254 VanDerWaalsContact O-CB 3.23Å; G251-R254 WeakPolarHBondContact O-CB 3.45Å; G251-R254 PolarHBondContact O-N 2.66Å; N252-R254 VanDerWaalsContact C-N 3.26Å; N252-R254 PolarHBondContact O-N 3.14Å; R254-D256 PolarHBondContact O-N 3.32Å; R254-M257 PolarHBondContact O-N 2.87Å; R254-M257 VanDerWaalsContact O-N 3.14Å; R254-I258 HydrophobicContact CG-CD1 3.75Å; R254-I258 HydrophobicContact CG-CG1 4.01Å; R254-I258 WeakPolarHBondContact O-CG1 3.49Å; R254-I258 PolarHBondContact O-N 3.46Å; R254-V274 HydrophobicContact CG-CG1 3.88Å; R254-L277 VanDerWaalsContact CD-O 3.3Å; R254-L277 WeakPolarHBondContact CD-O 3.48Å; R254-L277 PolarHBondContact NH1-O 3.35Å; R254-W279 PolarHBondContact N-O 2.87Å; R254-R558 PolarHBondContact NE-O 2.94Å; R254-R558 PolarHBondContact NH2-O 2.76Å; R254-R558 VanDerWaalsContact NH2-O 3.09Å; R254-G559 PolarHBondContact NE-O 3.22Å
255	S	92.6	Very high	93.5	Very high	13 Å²	13	25.5 Å²	25.5	9%	0.091	12%	0.119	C	C	.	.	H	α-helix	trans	-57	-36.9	177.6	59.6	0	0	0	0	113	R253 M257 I258 K259 W279 S280	R253-S255 PolarHBondContact O-N 3.23Å; S255-M257 VanDerWaalsContact C-N 3.34Å; S255-I258 PolarHBondContact O-N 2.87Å; S255-K259 VanDerWaalsContact O-CG 3.28Å; S255-K259 WeakPolarHBondContact O-CG 3.33Å; S255-K259 PolarHBondContact O-N 2.55Å; S255-W279 WeakPolarHBondContact CB-O 3.43Å; S255-W279 PolarHBondContact N-O 3.38Å; S255-W279 PolarHBondContact OG-O 2.85Å; S255-W279 VanDerWaalsContact OG-O 3.12Å; S255-S280 WeakPolarHBondContact OG-CA 3.39Å
256	D	92.7	Very high	93.3	Very high	26 Å²	26	32.2 Å²	32.2	14%	0.139	15%	0.15	C	C	.	.	H	α-helix	trans	-65.2	-42.9	178.6	-66.9	-12.5	0	0	0	110.8	R253 R254 Y260 H566	R253-D256 IonicContact CZ-OD2 3.32Å; R253-D256 VanDerWaalsContact CZ-OD2 3.22Å; R253-D256 IonicContact NE-OD2 2.66Å; R253-D256 PolarHBondContact NE-OD2 3.22Å; R253-D256 IonicContact NH2-OD2 3.99Å; R253-D256 PolarHBondContact NH2-OD2 3.07Å; R253-D256 PolarHBondContact O-N 2.95Å; R254-D256 PolarHBondContact O-N 3.32Å; D256-Y260 PolarHBondContact O-N 3.01Å; D256-Y260 VanDerWaalsContact O-N 3.15Å; D256-H566 IonicContact OD2-CD2 3.19Å
257	M	93.8	Very high	92.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-70	-38.2	177.6	-163.6	175.4	-65.6	0	0	111.8	R254 S255 Y260 D261 V274 T554 L555 G559	R254-M257 PolarHBondContact O-N 2.87Å; R254-M257 VanDerWaalsContact O-N 3.14Å; S255-M257 VanDerWaalsContact C-N 3.34Å; M257-Y260 PolarHBondContact O-N 3.04Å; M257-D261 VanDerWaalsContact O-CB 3.32Å; M257-D261 WeakPolarHBondContact O-CB 3.37Å; M257-D261 PolarHBondContact O-N 3.48Å; M257-V274 HydrophobicContact CG-CG2 4.01Å; M257-V274 HydrophobicContact SD-CG2 4.24Å; M257-T554 WeakPolarHBondContact CE-O 3.48Å; M257-L555 HydrophobicContact CG-CD1 3.59Å; M257-L555 HydrophobicContact SD-CD1 3.97Å; M257-G559 VanDerWaalsContact SD-CA 3.58Å
258	I	90.2	Very high	92.4	Very high	37 Å²	37	43.9 Å²	43.9	19%	0.19	21%	0.208	C	C	.	.	H	α-helix	trans	-61.2	-48.9	174.5	-71.8	171.8	0	0	0	110.7	R254 S255 Y260 D261 I262 V274	R254-I258 HydrophobicContact CG-CD1 3.75Å; R254-I258 HydrophobicContact CG-CG1 4.01Å; R254-I258 WeakPolarHBondContact O-CG1 3.49Å; R254-I258 PolarHBondContact O-N 3.46Å; S255-I258 PolarHBondContact O-N 2.87Å; I258-Y260 PolarHBondContact O-N 2.95Å; I258-D261 PolarHBondContact O-N 2.59Å; I258-I262 HydrophobicContact CG2-CD1 3.66Å; I258-I262 HydrophobicContact CG2-CG1 4.3Å; I258-I262 WeakPolarHBondContact O-CG1 3.49Å; I258-I262 PolarHBondContact O-N 2.7Å; I258-V274 HydrophobicContact CD1-CG1 4.19Å; I258-V274 HydrophobicContact CG1-CB 3.99Å; I258-V274 HydrophobicContact CG1-CG1 3.47Å; I258-V274 VanDerWaalsContact CG1-CG1 3.47Å
259	K	89.6	Confident	91.8	Very high	128 Å²	128	52.9 Å²	52.9	56%	0.557	25%	0.25	S	C	*	.	H	α-helix	trans	-55.5	-43.3	177.3	-73.9	170.7	-175.3	173.5	0	111	S255 K263	S255-K259 VanDerWaalsContact O-CG 3.28Å; S255-K259 WeakPolarHBondContact O-CG 3.33Å; S255-K259 PolarHBondContact O-N 2.55Å; K259-K263 PolarHBondContact O-N 3.24Å
260	Y	90.6	Very high	91.2	Very high	65 Å²	65	54.8 Å²	54.8	26%	0.255	26%	0.256	S	S	.	.	H	α-helix	trans	-67	-48.3	177.6	-175.6	-91.1	0	0	0	112.4	D256 M257 I258 I262 K263 I264 C551 S552	D256-Y260 PolarHBondContact O-N 3.01Å; D256-Y260 VanDerWaalsContact O-N 3.15Å; M257-Y260 PolarHBondContact O-N 3.04Å; I258-Y260 PolarHBondContact O-N 2.95Å; Y260-I262 PolarHBondContact O-N 2.95Å; Y260-K263 PolarHBondContact O-N 2.97Å; Y260-I264 HydrophobicContact CD1-CG1 4.09Å; Y260-I264 HydrophobicContact CE1-CD1 4.33Å; Y260-I264 HydrophobicContact CE1-CG1 3.48Å; Y260-I264 VanDerWaalsContact CE1-CG1 3.48Å; Y260-I264 HydrophobicContact CE2-CD1 4.47Å; Y260-I264 HydrophobicContact CE2-CG1 4.29Å; Y260-I264 PolarHBondContact O-N 3.25Å; Y260-I264 VanDerWaalsContact O-N 3.08Å; Y260-C551 HydrophobicContact CD1-CB 4.36Å; Y260-C551 HydrophobicContact CG-CB 4.16Å; Y260-S552 WeakPolarHBondContact OH-CB 3.42Å
261	D	90.3	Very high	90.3	Very high	1 Å²	1	60 Å²	60	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-62	-42.2	-178.4	-174.2	25.1	0	0	0	112.1	M257 I258 K263 I264 A265 R270 P272 Y273 V274 L555	M257-D261 VanDerWaalsContact O-CB 3.32Å; M257-D261 WeakPolarHBondContact O-CB 3.37Å; M257-D261 PolarHBondContact O-N 3.48Å; I258-D261 PolarHBondContact O-N 2.59Å; D261-K263 PolarHBondContact O-N 2.69Å; D261-I264 PolarHBondContact O-N 2.85Å; D261-A265 WeakPolarHBondContact O-CB 3.33Å; D261-A265 PolarHBondContact O-N 3.08Å; D261-R270 IonicContact OD1-CZ 3.56Å; D261-R270 IonicContact OD1-NH1 2.71Å; D261-R270 PolarHBondContact OD1-NH1 3.23Å; D261-R270 IonicContact OD1-NH2 3.58Å; D261-R270 PolarHBondContact OD1-NH2 2.89Å; D261-P272 VanDerWaalsContact OD2-C 3.31Å; D261-P272 WeakPolarHBondContact OD2-CA 3.38Å; D261-P272 WeakPolarHBondContact OD2-CB 3.22Å; D261-Y273 WeakPolarHBondContact OD2-CA 3.2Å; D261-Y273 PolarHBondContact OD2-N 3.16Å; D261-V274 HydrophobicContact CB-CG2 4.03Å; D261-V274 WeakPolarHBondContact OD2-CG2 3.06Å; D261-V274 PolarHBondContact OD2-N 3.31Å; D261-L555 HydrophobicContact CB-CD1 3.76Å; D261-L555 HydrophobicContact CB-CD2 4.46Å
262	I	88.5	Confident	89.7	Confident	69 Å²	69	62.1 Å²	62.1	35%	0.354	30%	0.297	S	S	.	.	H	α-helix	trans	-56.9	-50	175	-70	168.9	0	0	0	110.5	I258 Y260 I264 A265 E266 P272	I258-I262 HydrophobicContact CG2-CD1 3.66Å; I258-I262 HydrophobicContact CG2-CG1 4.3Å; I258-I262 WeakPolarHBondContact O-CG1 3.49Å; I258-I262 PolarHBondContact O-N 2.7Å; Y260-I262 PolarHBondContact O-N 2.95Å; I262-I264 VanDerWaalsContact C-N 3.32Å; I262-I264 PolarHBondContact O-N 3.27Å; I262-A265 PolarHBondContact O-N 3.45Å; I262-E266 HydrophobicContact CG2-CG 4.5Å; I262-E266 WeakPolarHBondContact O-CG 3.46Å; I262-E266 PolarHBondContact O-N 3.49Å; I262-P272 HydrophobicContact CG1-CB 4.33Å; I262-P272 HydrophobicContact CG1-CG 3.94Å
263	K	90.1	Very high	88.9	Confident	138 Å²	138	64.9 Å²	64.9	60%	0.6	31%	0.308	S	S	*	.	H	α-helix	trans	-60	-41.1	-179.3	-177.7	178.7	178.2	179	0	112.4	K259 Y260 D261 L267	K259-K263 PolarHBondContact O-N 3.24Å; Y260-K263 PolarHBondContact O-N 2.97Å; D261-K263 PolarHBondContact O-N 2.69Å; K263-L267 WeakPolarHBondContact O-CG 3.29Å; K263-L267 PolarHBondContact O-N 2.98Å
264	I	87.4	Confident	88.2	Confident	33 Å²	33	65.6 Å²	65.6	17%	0.169	31%	0.312	C	S	.	.	H	α-helix	trans	-72.9	-41.1	177.4	-63.8	-57	0	0	0	111.1	Y260 D261 I262 E266 L267 E268	Y260-I264 HydrophobicContact CD1-CG1 4.09Å; Y260-I264 HydrophobicContact CE1-CD1 4.33Å; Y260-I264 HydrophobicContact CE1-CG1 3.48Å; Y260-I264 VanDerWaalsContact CE1-CG1 3.48Å; Y260-I264 HydrophobicContact CE2-CD1 4.47Å; Y260-I264 HydrophobicContact CE2-CG1 4.29Å; Y260-I264 PolarHBondContact O-N 3.25Å; Y260-I264 VanDerWaalsContact O-N 3.08Å; D261-I264 PolarHBondContact O-N 2.85Å; I262-I264 VanDerWaalsContact C-N 3.32Å; I262-I264 PolarHBondContact O-N 3.27Å; I264-E266 VanDerWaalsContact C-N 3.29Å; I264-E266 PolarHBondContact O-N 3.11Å; I264-L267 HydrophobicContact CD1-CD1 4.41Å; I264-L267 PolarHBondContact O-N 3.18Å; I264-L267 VanDerWaalsContact O-N 3.12Å; I264-E268 VanDerWaalsContact CG2-CD 3.43Å; I264-E268 HydrophobicContact CG2-CG 4.14Å; I264-E268 WeakPolarHBondContact CG2-OE1 3.24Å; I264-E268 WeakPolarHBondContact O-CB 3.28Å; I264-E268 WeakPolarHBondContact O-CG 3.4Å; I264-E268 PolarHBondContact O-N 3.4Å
265	A	86.4	Confident	87.4	Confident	2 Å²	2	68.1 Å²	68.1	2%	0.017	32%	0.323	C	S	.	.	H	α-helix	trans	-60.8	-37.8	178.6	0	0	0	0	0	112.3	D261 I262 E268 E269 R270 P272	D261-A265 WeakPolarHBondContact O-CB 3.33Å; D261-A265 PolarHBondContact O-N 3.08Å; I262-A265 PolarHBondContact O-N 3.45Å; A265-E268 CarbonylContact O-C 3.3Å; A265-E268 PolarHBondContact O-N 2.7Å; A265-E269 PolarHBondContact O-N 2.93Å; A265-R270 HydrophobicContact CB-CG 3.97Å; A265-R270 WeakPolarHBondContact CB-O 3.33Å; A265-R270 PolarHBondContact O-N 3.29Å; A265-P272 HydrophobicContact CB-CB 4.38Å; A265-P272 HydrophobicContact CB-CG 3.84Å
266	E	89.8	Confident	86.7	Confident	142 Å²	142	68.6 Å²	68.6	66%	0.664	33%	0.33	S	S	*	.	H	α-helix	trans	-62.7	-42.9	172.7	-74.6	172.9	176.3	0	0	112.3	I262 I264 E268	I262-E266 HydrophobicContact CG2-CG 4.5Å; I262-E266 WeakPolarHBondContact O-CG 3.46Å; I262-E266 PolarHBondContact O-N 3.49Å; I264-E266 VanDerWaalsContact C-N 3.29Å; I264-E266 PolarHBondContact O-N 3.11Å; E266-E268 VanDerWaalsContact C-N 3.31Å; E266-E268 PolarHBondContact O-N 3.01Å
267	L	89.6	Confident	86.2	Confident	132 Å²	132	68 Å²	68	69%	0.691	33%	0.327	S	S	*	.	H	α-helix	trans	-69.5	-29.5	177.6	-68	171.3	0	0	0	112.9	K263 I264	K263-L267 WeakPolarHBondContact O-CG 3.29Å; K263-L267 PolarHBondContact O-N 2.98Å; I264-L267 HydrophobicContact CD1-CD1 4.41Å; I264-L267 PolarHBondContact O-N 3.18Å; I264-L267 VanDerWaalsContact O-N 3.12Å
268	E	87.3	Confident	86	Confident	115 Å²	115	71.1 Å²	71.1	54%	0.537	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	3.7	-177.9	-68	177.3	172.7	0	0	113.2	I264 A265 E266 R270	I264-E268 VanDerWaalsContact CG2-CD 3.43Å; I264-E268 HydrophobicContact CG2-CG 4.14Å; I264-E268 WeakPolarHBondContact CG2-OE1 3.24Å; I264-E268 WeakPolarHBondContact O-CB 3.28Å; I264-E268 WeakPolarHBondContact O-CG 3.4Å; I264-E268 PolarHBondContact O-N 3.4Å; A265-E268 CarbonylContact O-C 3.3Å; A265-E268 PolarHBondContact O-N 2.7Å; E266-E268 VanDerWaalsContact C-N 3.31Å; E266-E268 PolarHBondContact O-N 3.01Å; E268-R270 HydrophobicContact CB-CG 4.02Å; E268-R270 PolarHBondContact O-N 2.64Å; E268-R270 WeakPolarHBondContact OE2-CD 3.45Å; E268-R270 IonicContact OE2-CZ 3.6Å; E268-R270 IonicContact OE2-NE 2.94Å; E268-R270 PolarHBondContact OE2-NE 2.71Å; E268-R270 IonicContact OE2-NH2 3.14Å
269	E	87.5	Confident	86.1	Confident	188 Å²	188	69.5 Å²	69.5	88%	0.879	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	37.5	-176.8	-59.9	-176.8	179.5	0	0	113.9	A265	A265-E269 PolarHBondContact O-N 2.93Å
270	R	83.9	Confident	86.4	Confident	49 Å²	49	63.8 Å²	63.8	19%	0.185	32%	0.316	C	S	.	.	S	Bend	trans	-117.2	171.4	178.5	67.1	167.5	177.3	77.3	3.8	112.1	D261 A265 E268 Y273	D261-R270 IonicContact OD1-CZ 3.56Å; D261-R270 IonicContact OD1-NH1 2.71Å; D261-R270 PolarHBondContact OD1-NH1 3.23Å; D261-R270 IonicContact OD1-NH2 3.58Å; D261-R270 PolarHBondContact OD1-NH2 2.89Å; A265-R270 HydrophobicContact CB-CG 3.97Å; A265-R270 WeakPolarHBondContact CB-O 3.33Å; A265-R270 PolarHBondContact O-N 3.29Å; E268-R270 HydrophobicContact CB-CG 4.02Å; E268-R270 PolarHBondContact O-N 2.64Å; E268-R270 WeakPolarHBondContact OE2-CD 3.45Å; E268-R270 IonicContact OE2-CZ 3.6Å; E268-R270 IonicContact OE2-NE 2.94Å; E268-R270 PolarHBondContact OE2-NE 2.71Å; E268-R270 IonicContact OE2-NH2 3.14Å; R270-Y273 WeakPolarHBondContact CD-OH 3.36Å; R270-Y273 VanDerWaalsContact CZ-CD2 3.48Å
271	I	78.5	Confident	86.7	Confident	109 Å²	109	61.9 Å²	61.9	56%	0.559	31%	0.31	S	S	*	.			trans	-81	139.5	171.5	-58	175.1	0	0	0	108.9	Y273	I271-Y273 PolarHBondContact O-N 3.49Å
272	P	83.6	Confident	87.1	Confident	45 Å²	45	61.9 Å²	61.9	29%	0.292	31%	0.31	S	S	.	.			trans	-56.4	133	170.4	-25.1	33.8	0	0	0	111.8	D261 I262 A265 K275	D261-P272 VanDerWaalsContact OD2-C 3.31Å; D261-P272 WeakPolarHBondContact OD2-CA 3.38Å; D261-P272 WeakPolarHBondContact OD2-CB 3.22Å; I262-P272 HydrophobicContact CG1-CB 4.33Å; I262-P272 HydrophobicContact CG1-CG 3.94Å; A265-P272 HydrophobicContact CB-CB 4.38Å; A265-P272 HydrophobicContact CB-CG 3.84Å; P272-K275 PolarHBondContact O-NZ 3.1Å
273	Y	82	Confident	87.5	Confident	58 Å²	58	58.6 Å²	58.6	23%	0.227	29%	0.293	C	S	.	.			trans	-71.8	-45.2	179.6	-63.4	-60.8	0	0	0	112.1	D261 R270 I271 K275 P415 L555	D261-Y273 WeakPolarHBondContact OD2-CA 3.2Å; D261-Y273 PolarHBondContact OD2-N 3.16Å; R270-Y273 WeakPolarHBondContact CD-OH 3.36Å; R270-Y273 VanDerWaalsContact CZ-CD2 3.48Å; I271-Y273 PolarHBondContact O-N 3.49Å; Y273-K275 PolarHBondContact O-N 3.25Å; Y273-P415 HydrophobicContact CD1-CB 4.22Å; Y273-P415 HydrophobicContact CD1-CG 4.25Å; Y273-P415 HydrophobicContact CD2-CB 3.74Å; Y273-P415 HydrophobicContact CD2-CG 3.27Å; Y273-P415 HydrophobicContact CE1-CB 3.95Å; Y273-P415 HydrophobicContact CE1-CG 4.43Å; Y273-P415 HydrophobicContact CE2-CB 3.4Å; Y273-P415 HydrophobicContact CE2-CG 3.47Å; Y273-P415 VanDerWaalsContact CE2-CG 3.47Å; Y273-P415 HydrophobicContact CG-CB 4.14Å; Y273-P415 HydrophobicContact CG-CG 3.71Å; Y273-L555 HydrophobicContact CD2-CD2 4.44Å
274	V	83.5	Confident	87.9	Confident	15 Å²	15	52 Å²	52	9%	0.091	26%	0.264	C	S	.	.			trans	-62.6	123.4	-164.2	177.3	0	0	0	0	111.9	R254 M257 I258 D261 L555 I557	R254-V274 HydrophobicContact CG-CG1 3.88Å; M257-V274 HydrophobicContact CG-CG2 4.01Å; M257-V274 HydrophobicContact SD-CG2 4.24Å; I258-V274 HydrophobicContact CD1-CG1 4.19Å; I258-V274 HydrophobicContact CG1-CB 3.99Å; I258-V274 HydrophobicContact CG1-CG1 3.47Å; I258-V274 VanDerWaalsContact CG1-CG1 3.47Å; D261-V274 HydrophobicContact CB-CG2 4.03Å; D261-V274 WeakPolarHBondContact OD2-CG2 3.06Å; D261-V274 PolarHBondContact OD2-N 3.31Å; V274-L555 HydrophobicContact CG2-CD1 3.67Å; V274-I557 WeakPolarHBondContact CA-O 3.49Å
275	K	77.5	Confident	88.5	Confident	66 Å²	66	50.5 Å²	50.5	29%	0.287	26%	0.256	S	S	.	.			trans	-117.4	144.7	172.2	-50.7	-57.2	179.4	-162.1	0	111.9	P100 P272 Y273 I557 R558	P100-K275 HydrophobicContact CG-CB 4.08Å; P100-K275 HydrophobicContact CG-CG 4.25Å; P272-K275 PolarHBondContact O-NZ 3.1Å; Y273-K275 PolarHBondContact O-N 3.25Å; K275-I557 PolarHBondContact N-O 3.4Å; K275-I557 VanDerWaalsContact N-O 3.08Å; K275-R558 CarbonylContact O-C 3.57Å; K275-R558 PolarHBondContact O-NH1 2.97Å
276	G	78.3	Confident	88.9	Confident	22 Å²	22	50.4 Å²	50.4	23%	0.227	26%	0.256	C	S	.	.	S	Bend	trans	136.9	178.3	171.3	0	0	0	0	0	113.6	S278	G276-S278 PolarHBondContact O-N 3.35Å
277	L	82.9	Confident	89.3	Confident	14 Å²	14	43.7 Å²	43.7	7%	0.073	22%	0.224	C	C	.	.			trans	-56.9	127.7	175.8	-69.4	168	0	0	0	110.5	F122 V168 N174 R254 W279	F122-L277 HydrophobicContact CD2-CD2 3.69Å; F122-L277 HydrophobicContact CE2-CD2 3.5Å; F122-L277 HydrophobicContact CE2-CG 4.29Å; V168-L277 HydrophobicContact CG1-CB 4.05Å; V168-L277 HydrophobicContact CG1-CD2 4.03Å; N174-L277 HydrophobicContact CB-CD1 3.86Å; N174-L277 WeakPolarHBondContact OD1-CD1 3.23Å; R254-L277 VanDerWaalsContact CD-O 3.3Å; R254-L277 WeakPolarHBondContact CD-O 3.48Å; R254-L277 PolarHBondContact NH1-O 3.35Å; L277-W279 HydrophobicContact CB-CD2 4.35Å; L277-W279 HydrophobicContact CB-CG 4.44Å; L277-W279 HydrophobicContact CB-CZ2 4.34Å; L277-W279 HydrophobicContact CD1-CH2 4.41Å; L277-W279 HydrophobicContact CD1-CZ2 3.51Å; L277-W279 PolarHBondContact O-N 3.22Å
278	S	87.9	Confident	89.6	Confident	66 Å²	66	38.5 Å²	38.5	46%	0.462	20%	0.197	S	C	.	.			trans	-76.9	60.7	-178.5	-176	0	0	0	0	112	G276 S280	G276-S278 PolarHBondContact O-N 3.35Å; S278-S280 PolarHBondContact O-N 2.99Å
279	W	94	Very high	90.1	Very high	3 Å²	3	33 Å²	33	1%	0.011	17%	0.171	C	C	.	.			trans	-55.8	133.2	172.4	-59.1	118.1	0	0	0	110.3	V168 N174 E176 R196 G251 R254 S255 L277 A283	V168-W279 HydrophobicContact CB-CE3 4.24Å; V168-W279 HydrophobicContact CB-CZ3 4.15Å; V168-W279 HydrophobicContact CG1-CE3 4.48Å; V168-W279 HydrophobicContact CG2-CE3 3.62Å; V168-W279 HydrophobicContact CG2-CZ3 3.75Å; N174-W279 HydrophobicContact CB-CH2 3.53Å; N174-W279 HydrophobicContact CB-CZ2 3.95Å; N174-W279 HydrophobicContact CB-CZ3 4.4Å; E176-W279 HydrophobicContact CG-CE3 3.34Å; E176-W279 HydrophobicContact CG-CZ3 3.56Å; E176-W279 VanDerWaalsContact OE1-CA 3.3Å; E176-W279 WeakPolarHBondContact OE1-CA 3.33Å; E176-W279 WeakPolarHBondContact OE1-CB 3.4Å; R196-W279 HydrophobicContact CB-CZ2 4.38Å; R196-W279 HydrophobicContact CG-CH2 4.48Å; R196-W279 HydrophobicContact CG-CZ2 3.89Å; G251-W279 WeakPolarHBondContact O-CB 3.18Å; G251-W279 VanDerWaalsContact O-CD1 3.28Å; R254-W279 PolarHBondContact N-O 2.87Å; S255-W279 WeakPolarHBondContact CB-O 3.43Å; S255-W279 PolarHBondContact N-O 3.38Å; S255-W279 PolarHBondContact OG-O 2.85Å; S255-W279 VanDerWaalsContact OG-O 3.12Å; L277-W279 HydrophobicContact CB-CD2 4.35Å; L277-W279 HydrophobicContact CB-CG 4.44Å; L277-W279 HydrophobicContact CB-CZ2 4.34Å; L277-W279 HydrophobicContact CD1-CH2 4.41Å; L277-W279 HydrophobicContact CD1-CZ2 3.51Å; L277-W279 PolarHBondContact O-N 3.22Å; W279-A283 HydrophobicContact CB-CB 4.11Å; W279-A283 HydrophobicContact CD2-CB 3.83Å; W279-A283 HydrophobicContact CE3-CB 3.81Å; W279-A283 HydrophobicContact CG-CB 3.98Å; W279-A283 HydrophobicContact CZ3-CB 4.4Å
280	S	94.8	Very high	90.5	Very high	8 Å²	8	24.5 Å²	24.5	6%	0.056	13%	0.132	C	C	.	.			trans	-82.4	-139.7	163.4	71.3	0	0	0	0	109.5	K166 E176 N252 R253 S255 S278	K166-S280 VanDerWaalsContact NZ-CB 3.29Å; K166-S280 PolarHBondContact NZ-OG 2.9Å; E176-S280 VanDerWaalsContact CD-OG 3.29Å; E176-S280 WeakPolarHBondContact OE1-CA 3.4Å; E176-S280 PolarHBondContact OE1-N 3Å; E176-S280 PolarHBondContact OE1-OG 3.04Å; E176-S280 PolarHBondContact OE2-N 3.35Å; E176-S280 PolarHBondContact OE2-OG 3.34Å; N252-S280 PolarHBondContact OD1-O 3.08Å; R253-S280 WeakPolarHBondContact CA-O 3.42Å; R253-S280 PolarHBondContact N-O 3.06Å; S255-S280 WeakPolarHBondContact OG-CA 3.39Å; S278-S280 PolarHBondContact O-N 2.99Å
281	E	97.2	Very high	91.2	Very high	25 Å²	25	22.1 Å²	22.1	12%	0.117	12%	0.123	C	C	.	.	S	Bend	trans	-93.4	-3.7	-172.4	-47.5	74.3	-159.8	0	0	113	L179 N252 R253 I284 V438 Y459 H566	L179-E281 HydrophobicContact CD1-CB 3.91Å; L179-E281 HydrophobicContact CD2-CB 4.16Å; L179-E281 HydrophobicContact CD2-CG 4.31Å; N252-E281 VanDerWaalsContact OD1-C 3.28Å; N252-E281 PolarHBondContact OD1-O 2.83Å; R253-E281 HydrophobicContact CG-CB 4.3Å; R253-E281 HydrophobicContact CG-CG 4.2Å; E281-I284 WeakPolarHBondContact O-CG2 3.39Å; E281-V438 HydrophobicContact CB-CG1 3.7Å; E281-V438 HydrophobicContact CB-CG2 4.11Å; E281-V438 HydrophobicContact CG-CG1 3.84Å; E281-V438 HydrophobicContact CG-CG2 4.21Å; E281-Y459 PolarHBondContact O-OH 3.2Å; E281-H566 IonicContact OE1-NE2 2.94Å
282	G	97.7	Very high	92.1	Very high	1 Å²	1	17 Å²	17	1%	0.01	10%	0.096	C	C	.	.			trans	-97.1	10.9	-171.9	0	0	0	0	0	115.4	T177 I284	T177-G282 PolarHBondContact N-O 3.39Å; T177-G282 WeakPolarHBondContact O-CA 3.46Å; G282-I284 PolarHBondContact O-N 3.15Å
283	A	98.5	Very high	92.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	9%	0.087	C	C	.	.	S	Bend	trans	-82.6	46.7	175.2	0	0	0	0	0	111.7	C249 N252 W279	C249-A283 HydrophobicContact CB-CB 3.8Å; C249-A283 PolarHBondContact N-O 3.45Å; N252-A283 HydrophobicContact CB-CB 4.07Å; N252-A283 WeakPolarHBondContact OD1-CB 3.41Å; N252-A283 PolarHBondContact OD1-N 3.09Å; W279-A283 HydrophobicContact CB-CB 4.11Å; W279-A283 HydrophobicContact CD2-CB 3.83Å; W279-A283 HydrophobicContact CE3-CB 3.81Å; W279-A283 HydrophobicContact CG-CB 3.98Å; W279-A283 HydrophobicContact CZ3-CB 4.4Å
284	I	98.6	Very high	93.6	Very high	0 Å²	0	13 Å²	13	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	136.8	-176.3	-173.6	170.1	0	0	0	109.7	I182 T246 I247 V248 E281 G282 Y459 F461 W517	I182-I284 HydrophobicContact CD1-CG2 4.49Å; T246-I284 HydrophobicContact CG2-CD1 3.65Å; T246-I284 HydrophobicContact CG2-CG1 3.37Å; I247-I284 WeakPolarHBondContact O-CA 2.94Å; V248-I284 HydrophobicContact CB-CB 4.41Å; V248-I284 HydrophobicContact CB-CD1 4.09Å; V248-I284 HydrophobicContact CB-CG1 4.03Å; V248-I284 HydrophobicContact CG2-CB 4.22Å; V248-I284 HydrophobicContact CG2-CD1 4.09Å; V248-I284 HydrophobicContact CG2-CG1 4.23Å; E281-I284 WeakPolarHBondContact O-CG2 3.39Å; G282-I284 PolarHBondContact O-N 3.15Å; I284-Y459 HydrophobicContact CD1-CD2 4.45Å; I284-Y459 HydrophobicContact CD1-CE2 4.3Å; I284-Y459 HydrophobicContact CG2-CE1 3.83Å; I284-Y459 HydrophobicContact CG2-CE2 4.39Å; I284-F461 HydrophobicContact CD1-CB 4.28Å; I284-W517 HydrophobicContact CD1-CE3 4.43Å; I284-W517 HydrophobicContact CG1-CE3 4.34Å; I284-W517 HydrophobicContact CG2-CZ3 4.46Å
285	S	98.3	Very high	94.2	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	159	176	-56.9	0	0	0	0	111.3	T177 F193 F194 T246 I247	T177-S285 PolarHBondContact OG1-OG 2.96Å; F193-S285 VanDerWaalsContact CG-CB 3.47Å; F194-S285 WeakPolarHBondContact CD1-OG 3.36Å; F194-S285 PolarHBondContact N-OG 2.76Å; T246-S285 CarbonylContact C-O 3.59Å; T246-S285 VanDerWaalsContact CA-O 3.29Å; T246-S285 WeakPolarHBondContact CA-O 3.49Å; I247-S285 PolarHBondContact N-O 2.74Å; I247-S285 PolarHBondContact O-N 2.78Å
286	T	96.8	Very high	95.1	Very high	1 Å²	1	10.9 Å²	10.9	1%	0.006	7%	0.068	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	133	-178.7	-60.1	0	0	0	0	110.7	I187 T188 V244 T246 A516 W517	I187-T286 HydrophobicContact CD1-CG2 4Å; T188-T286 WeakPolarHBondContact CB-O 3.27Å; T188-T286 PolarHBondContact N-O 3.08Å; T188-T286 PolarHBondContact OG1-N 3.04Å; T188-T286 VanDerWaalsContact OG1-N 3.07Å; T188-T286 PolarHBondContact OG1-O 2.8Å; V244-T286 HydrophobicContact CG1-CG2 3.57Å; T246-T286 PolarHBondContact OG1-OG1 3.25Å; T286-A516 HydrophobicContact CG2-CB 3.78Å; T286-W517 VanDerWaalsContact OG1-CD1 3.3Å; T286-W517 PolarHBondContact OG1-NE1 2.83Å; T286-W517 VanDerWaalsContact OG1-NE1 3.1Å
287	A	96.4	Very high	96	Very high	0 Å²	0	9.8 Å²	9.8	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	159.1	175.6	0	0	0	0	0	111.2	F193 V244 S245 W289 M362 N363	F193-A287 HydrophobicContact CD2-CB 4.08Å; F193-A287 HydrophobicContact CE2-CB 3.69Å; V244-A287 WeakPolarHBondContact CA-O 3.44Å; S245-A287 PolarHBondContact N-O 3.07Å; S245-A287 PolarHBondContact O-N 2.92Å; A287-W289 HydrophobicContact CB-CD2 4.42Å; A287-W289 HydrophobicContact CB-CH2 4.4Å; A287-W289 HydrophobicContact CB-CZ2 3.77Å; A287-W289 VanDerWaalsContact O-CD1 3.32Å; A287-W289 PolarHBondContact O-NE1 3.43Å; A287-M362 HydrophobicContact CB-CE 3.86Å; A287-M362 HydrophobicContact CB-CG 3.84Å; A287-N363 WeakPolarHBondContact CA-OD1 3.31Å; A287-N363 WeakPolarHBondContact CB-OD1 3.18Å
288	E	96.2	Very high	96.7	Very high	23 Å²	23	9.3 Å²	9.3	11%	0.107	5%	0.054	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	125.9	160.8	-178.5	175.3	-148.7	0	0	109.3	L243 V244 M362 N363 N364 Y497	L243-E288 CarbonylContact O-C 3.55Å; L243-E288 WeakPolarHBondContact O-CA 3.01Å; V244-E288 HydrophobicContact CG2-CB 4.28Å; E288-M362 CarbonylContact O-C 3.6Å; E288-M362 VanDerWaalsContact O-CA 3.3Å; E288-M362 WeakPolarHBondContact O-CA 2.97Å; E288-N363 PolarHBondContact N-OD1 3.28Å; E288-N363 PolarHBondContact O-N 2.74Å; E288-N364 PolarHBondContact OE2-ND2 3.06Å; E288-Y497 VanDerWaalsContact CD-OH 3.27Å; E288-Y497 PolarHBondContact OE1-OH 3.35Å; E288-Y497 PolarHBondContact OE2-OH 3.03Å
289	W	97.3	Very high	97.1	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	3%	0.033	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	128.3	179.2	-56.3	98.1	0	0	0	109.2	F193 S242 L243 S245 I247 A287 A359 M362 L367 I378	F193-W289 HydrophobicContact CE2-CH2 4.48Å; F193-W289 AromaticContact CE2-CZ2 3.93Å; F193-W289 HydrophobicContact CE2-CZ2 3.93Å; F193-W289 HydrophobicContact CZ-CH2 4.22Å; F193-W289 AromaticContact CZ-CZ2 3.73Å; F193-W289 HydrophobicContact CZ-CZ2 3.73Å; S242-W289 CarbonylContact C-O 3.14Å; S242-W289 WeakPolarHBondContact CA-O 3.38Å; L243-W289 PolarHBondContact N-O 2.8Å; L243-W289 PolarHBondContact O-N 2.8Å; S245-W289 PolarHBondContact O-NE1 3.15Å; I247-W289 HydrophobicContact CD1-CH2 3.9Å; I247-W289 HydrophobicContact CD1-CZ2 3.36Å; I247-W289 HydrophobicContact CG1-CZ2 3.97Å; A287-W289 HydrophobicContact CB-CD2 4.42Å; A287-W289 HydrophobicContact CB-CH2 4.4Å; A287-W289 HydrophobicContact CB-CZ2 3.77Å; A287-W289 VanDerWaalsContact O-CD1 3.32Å; A287-W289 PolarHBondContact O-NE1 3.43Å; W289-A359 HydrophobicContact CE3-CB 4.47Å; W289-M362 HydrophobicContact CE3-CB 3.96Å; W289-M362 HydrophobicContact CE3-CG 4.13Å; W289-M362 HydrophobicContact CH2-CB 4.44Å; W289-M362 HydrophobicContact CH2-CE 4.1Å; W289-M362 HydrophobicContact CH2-CG 3.9Å; W289-M362 HydrophobicContact CH2-SD 3.65Å; W289-M362 HydrophobicContact CZ3-CB 3.7Å; W289-M362 HydrophobicContact CZ3-CG 3.66Å; W289-M362 HydrophobicContact CZ3-SD 3.76Å; W289-L367 HydrophobicContact CE3-CD2 4.27Å; W289-L367 HydrophobicContact CZ3-CD2 3.77Å; W289-I378 HydrophobicContact CB-CG1 4.07Å; W289-I378 HydrophobicContact CB-CG2 4.33Å; W289-I378 HydrophobicContact CD2-CD1 3.41Å; W289-I378 VanDerWaalsContact CD2-CD1 3.41Å; W289-I378 HydrophobicContact CD2-CG1 3.7Å; W289-I378 HydrophobicContact CE3-CD1 3.55Å; W289-I378 HydrophobicContact CE3-CG1 3.83Å; W289-I378 HydrophobicContact CG-CD1 3.95Å; W289-I378 HydrophobicContact CG-CG1 3.81Å; W289-I378 HydrophobicContact CG-CG2 4.03Å; W289-I378 HydrophobicContact CH2-CD1 4.04Å; W289-I378 HydrophobicContact CZ2-CD1 3.92Å; W289-I378 HydrophobicContact CZ3-CD1 3.87Å
290	T	97.5	Very high	97.2	Very high	9 Å²	9	9.8 Å²	9.8	6%	0.055	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	134.2	172.5	-44.7	0	0	0	0	110.3	H240 K241 S242 A359 F360 K361	H240-T290 HydrophobicContact CB-CG2 4.27Å; K241-T290 VanDerWaalsContact O-CA 3.3Å; K241-T290 WeakPolarHBondContact O-CA 3.16Å; S242-T290 WeakPolarHBondContact OG-CG2 3.4Å; S242-T290 PolarHBondContact OG-OG1 2.83Å; T290-A359 WeakPolarHBondContact O-CA 3.44Å; T290-F360 HydrophobicContact CG2-CE2 4.41Å; T290-F360 HydrophobicContact CG2-CZ 4.38Å; T290-F360 PolarHBondContact O-N 2.57Å; T290-K361 PolarHBondContact N-O 2.78Å; T290-K361 PolarHBondContact O-N 3.45Å
291	G	98.1	Very high	97.2	Very high	0 Å²	0	12.1 Å²	12.1	0%	0	6%	0.057	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-169.1	-162	-179	0	0	0	0	0	113.8	H240 K241 I357 V358 F360	H240-G291 CarbonylContact C-O 3.59Å; H240-G291 WeakPolarHBondContact CA-O 3.42Å; K241-G291 PolarHBondContact N-O 2.8Å; K241-G291 PolarHBondContact O-N 2.93Å; G291-I357 VanDerWaalsContact CA-CG2 3.43Å; G291-V358 CarbonylContact C-O 3.11Å; G291-V358 WeakPolarHBondContact CA-O 3.46Å; G291-F360 VanDerWaalsContact CA-CE1 3.41Å
292	V	97.8	Very high	97.1	Very high	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	136.7	171	-173.6	0	0	0	0	108.4	I234 Y238 L294 L297 I357 V358 F360	I234-V292 HydrophobicContact CG2-CG2 4.03Å; Y238-V292 HydrophobicContact CD1-CG1 4.35Å; Y238-V292 HydrophobicContact CG-CG1 4.13Å; Y238-V292 HydrophobicContact CG-CG2 4.27Å; V292-L294 PolarHBondContact O-N 3.06Å; V292-L297 HydrophobicContact CG1-CB 4.07Å; V292-I357 CarbonylContact O-C 3.58Å; V292-I357 WeakPolarHBondContact O-CA 3.4Å; V292-V358 PolarHBondContact N-O 3.47Å; V292-V358 PolarHBondContact O-N 3.25Å; V292-F360 HydrophobicContact CG2-CE1 4.2Å
293	L	97.3	Very high	97	Very high	20 Å²	20	12.5 Å²	12.5	11%	0.105	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	131.8	171.6	-73.2	174	0	0	0	109.6	K241 V295 D296 L297 E355 V356 I357	K241-L293 HydrophobicContact CB-CD2 4.49Å; K241-L293 HydrophobicContact CB-CG 4.12Å; K241-L293 HydrophobicContact CG-CD2 4.2Å; K241-L293 HydrophobicContact CG-CG 4.27Å; L293-V295 HydrophobicContact CB-CG1 4.21Å; L293-V295 PolarHBondContact O-N 2.83Å; L293-D296 HydrophobicContact CB-CB 4.06Å; L293-D296 PolarHBondContact O-N 3.12Å; L293-L297 PolarHBondContact O-N 3.27Å; L293-E355 HydrophobicContact CD2-CB 4.19Å; L293-V356 CarbonylContact C-O 3.46Å; L293-V356 WeakPolarHBondContact CA-O 3.47Å; L293-I357 HydrophobicContact CD2-CG1 3.84Å
294	L	98.3	Very high	96.8	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-56.9	-41.7	179.9	176	63.1	0	0	0	111.3	V292 D296 L297 L298 I326 F328 A349 V356 V358 I394	V292-L294 PolarHBondContact O-N 3.06Å; L294-D296 VanDerWaalsContact C-N 3.33Å; L294-D296 PolarHBondContact O-N 3.27Å; L294-L297 PolarHBondContact O-N 3.27Å; L294-L298 HydrophobicContact CD1-CD1 4.17Å; L294-L298 HydrophobicContact CD1-CG 4.22Å; L294-L298 HydrophobicContact CG-CD1 4.22Å; L294-L298 WeakPolarHBondContact O-CG 3.34Å; L294-L298 PolarHBondContact O-N 3.15Å; L294-I326 HydrophobicContact CD2-CG2 4.33Å; L294-F328 HydrophobicContact CD1-CE1 4.5Å; L294-F328 HydrophobicContact CD2-CE1 3.89Å; L294-F328 HydrophobicContact CD2-CZ 3.79Å; L294-A349 HydrophobicContact CD2-CB 4.11Å; L294-V356 HydrophobicContact CB-CB 4.16Å; L294-V356 HydrophobicContact CB-CG1 3.95Å; L294-V356 HydrophobicContact CD2-CB 4.42Å; L294-V356 HydrophobicContact CD2-CG1 3.79Å; L294-V356 PolarHBondContact N-O 2.86Å; L294-V358 HydrophobicContact CD1-CG2 4.27Å; L294-I394 HydrophobicContact CD1-CD1 4Å
295	V	97.3	Very high	96.6	Very high	5 Å²	5	20.3 Å²	20.3	3%	0.03	11%	0.112	C	C	.	.	H	α-helix	trans	-61.9	-40.2	177.2	67.3	0	0	0	0	111.9	L293 A299 Y311 L314 L350	L293-V295 HydrophobicContact CB-CG1 4.21Å; L293-V295 PolarHBondContact O-N 2.83Å; V295-A299 WeakPolarHBondContact O-CB 3.14Å; V295-A299 PolarHBondContact O-N 2.89Å; V295-Y311 HydrophobicContact CG1-CD1 4.48Å; V295-Y311 HydrophobicContact CG1-CE1 4.31Å; V295-Y311 HydrophobicContact CG2-CD1 3.62Å; V295-Y311 HydrophobicContact CG2-CE1 4.22Å; V295-Y311 HydrophobicContact CG2-CG 3.96Å; V295-L314 HydrophobicContact CG2-CD2 3.93Å; V295-L350 HydrophobicContact CG2-CB 4.47Å; V295-L350 WeakPolarHBondContact CG2-O 3.43Å
296	D	96.4	Very high	96.4	Very high	31 Å²	31	26.4 Å²	26.4	17%	0.166	15%	0.145	C	C	.	.	H	α-helix	trans	-70.2	-41.6	178.2	-68.9	-14.2	0	0	0	111.3	L293 L294 L298 A299 Y300 Y311	L293-D296 HydrophobicContact CB-CB 4.06Å; L293-D296 PolarHBondContact O-N 3.12Å; L294-D296 VanDerWaalsContact C-N 3.33Å; L294-D296 PolarHBondContact O-N 3.27Å; D296-L298 VanDerWaalsContact C-N 3.34Å; D296-L298 PolarHBondContact O-N 3.07Å; D296-A299 PolarHBondContact O-N 3.06Å; D296-Y300 VanDerWaalsContact O-CB 3.3Å; D296-Y300 WeakPolarHBondContact O-CB 3.14Å; D296-Y300 PolarHBondContact O-N 2.76Å; D296-Y311 VanDerWaalsContact OD1-CE1 3.28Å; D296-Y311 WeakPolarHBondContact OD1-CE1 3.29Å; D296-Y311 PolarHBondContact OD1-OH 2.88Å
297	L	97.3	Very high	96.3	Very high	0 Å²	0	30 Å²	30	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.9	-47.7	175.8	179	62.5	0	0	0	110.8	L211 I213 L229 Y238 V292 L293 L294 H301 V358 I394	L211-L297 HydrophobicContact CD2-CD2 4.33Å; I213-L297 HydrophobicContact CD1-CD2 3.97Å; I213-L297 HydrophobicContact CD1-CG 4.17Å; L229-L297 HydrophobicContact CD1-CD1 3.94Å; Y238-L297 HydrophobicContact CD1-CD1 3.98Å; Y238-L297 HydrophobicContact CE1-CD1 3.52Å; Y238-L297 HydrophobicContact CE2-CD1 4.34Å; V292-L297 HydrophobicContact CG1-CB 4.07Å; L293-L297 PolarHBondContact O-N 3.27Å; L294-L297 PolarHBondContact O-N 3.27Å; L297-H301 PolarHBondContact O-CD2 2.87Å; L297-H301 VanDerWaalsContact O-CD2 3.25Å; L297-V358 HydrophobicContact CD2-CG2 3.96Å; L297-I394 HydrophobicContact CD2-CD1 4.38Å
298	L	97.3	Very high	96.2	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	18%	0.175	C	C	.	.	H	α-helix	trans	-69.4	-43.4	178.4	-66.3	178.4	0	0	0	112	I213 L294 D296 Y300 H301 L302 L314 I326 L350 L396	I213-L298 HydrophobicContact CG2-CD2 4.2Å; L294-L298 HydrophobicContact CD1-CD1 4.17Å; L294-L298 HydrophobicContact CD1-CG 4.22Å; L294-L298 HydrophobicContact CG-CD1 4.22Å; L294-L298 WeakPolarHBondContact O-CG 3.34Å; L294-L298 PolarHBondContact O-N 3.15Å; D296-L298 VanDerWaalsContact C-N 3.34Å; D296-L298 PolarHBondContact O-N 3.07Å; L298-Y300 VanDerWaalsContact C-N 3.27Å; L298-Y300 PolarHBondContact O-N 2.94Å; L298-H301 PolarHBondContact O-N 3.14Å; L298-L302 WeakPolarHBondContact O-CB 3.03Å; L298-L302 WeakPolarHBondContact O-CG 3.33Å; L298-L302 PolarHBondContact O-N 2.83Å; L298-L314 HydrophobicContact CB-CD1 4.44Å; L298-L314 HydrophobicContact CB-CD2 3.94Å; L298-I326 HydrophobicContact CD1-CD1 4.22Å; L298-L350 HydrophobicContact CD1-CD2 3.72Å; L298-L396 HydrophobicContact CD2-CD1 4.07Å; L298-L396 HydrophobicContact CD2-CD2 4.29Å
299	A	96.3	Very high	96.1	Very high	1 Å²	1	38 Å²	38	1%	0.008	20%	0.204	C	C	.	.	H	α-helix	trans	-60.9	-37	177.7	0	0	0	0	0	112	V295 D296 H301 L303 R308 L314	V295-A299 WeakPolarHBondContact O-CB 3.14Å; V295-A299 PolarHBondContact O-N 2.89Å; D296-A299 PolarHBondContact O-N 3.06Å; A299-H301 PolarHBondContact O-N 3.38Å; A299-L303 HydrophobicContact CB-CD1 4.24Å; A299-L303 WeakPolarHBondContact O-CB 3.26Å; A299-L303 PolarHBondContact O-N 3.43Å; A299-R308 VanDerWaalsContact CB-O 3.23Å; A299-R308 WeakPolarHBondContact CB-O 3.25Å; A299-L314 HydrophobicContact CB-CD2 4.06Å
300	Y	95.5	Very high	96	Very high	78 Å²	78	41.5 Å²	41.5	31%	0.306	22%	0.222	S	C	.	.	H	α-helix	trans	-57.2	-38.2	179.2	-171.8	-85.3	0	0	0	112.9	Y238 D296 L298 R308	Y238-Y300 HydrophobicContact CD1-CD2 4.26Å; Y238-Y300 HydrophobicContact CD1-CG 4.13Å; Y238-Y300 AromaticContact CE1-CD1 3.72Å; Y238-Y300 HydrophobicContact CE1-CD1 3.72Å; Y238-Y300 HydrophobicContact CE1-CD2 4.22Å; Y238-Y300 HydrophobicContact CE1-CE1 4.27Å; Y238-Y300 AromaticContact CE1-CG 3.7Å; Y238-Y300 HydrophobicContact CE1-CG 3.7Å; D296-Y300 VanDerWaalsContact O-CB 3.3Å; D296-Y300 WeakPolarHBondContact O-CB 3.14Å; D296-Y300 PolarHBondContact O-N 2.76Å; L298-Y300 VanDerWaalsContact C-N 3.27Å; L298-Y300 PolarHBondContact O-N 2.94Å; Y300-R308 VanDerWaalsContact CD2-CZ 3.44Å; Y300-R308 PolarHBondContact O-NE 3.3Å; Y300-R308 PolarHBondContact O-NH2 3.17Å
301	H	94.7	Very high	95.9	Very high	57 Å²	57	44.1 Å²	44.1	26%	0.264	23%	0.232	S	C	.	.	H	α-helix	trans	-96.1	-26.8	-176.2	-69.7	-67.6	0	0	0	114.3	L227 Y238 L297 L298 A299	L227-H301 HydrophobicContact CD1-CB 3.67Å; L227-H301 VanDerWaalsContact CD1-CG 3.48Å; Y238-H301 AromaticContact CE1-NE2 3.95Å; Y238-H301 AromaticContact CZ-NE2 3.78Å; Y238-H301 PolarHBondContact OH-CE1 2.87Å; Y238-H301 PolarHBondContact OH-NE2 3.1Å; L297-H301 PolarHBondContact O-CD2 2.87Å; L297-H301 VanDerWaalsContact O-CD2 3.25Å; L298-H301 PolarHBondContact O-N 3.14Å; A299-H301 PolarHBondContact O-N 3.38Å
302	L	95.8	Very high	95.8	Very high	21 Å²	21	49.5 Å²	49.5	11%	0.11	26%	0.257	C	S	.	.	H	α-helix	trans	-104.2	-18.5	-173.2	-62.4	179.4	0	0	0	114	I218 V220 L225 L298 L314 L318 L396	I218-L302 HydrophobicContact CG2-CD2 4.06Å; V220-L302 HydrophobicContact CG2-CD2 4.24Å; L225-L302 HydrophobicContact CD1-CD2 3.85Å; L225-L302 HydrophobicContact CD2-CD2 3.99Å; L298-L302 WeakPolarHBondContact O-CB 3.03Å; L298-L302 WeakPolarHBondContact O-CG 3.33Å; L298-L302 PolarHBondContact O-N 2.83Å; L302-L314 HydrophobicContact CB-CD1 3.94Å; L302-L314 HydrophobicContact CD1-CD1 3.94Å; L302-L318 HydrophobicContact CD1-CD2 3.8Å; L302-L396 HydrophobicContact CD1-CD2 3.81Å
303	L	95.4	Very high	95.8	Very high	13 Å²	13	50.8 Å²	50.8	7%	0.068	27%	0.267	C	S	.	.	S	Bend	trans	-109.7	149.2	177	-61.3	-175	0	0	0	111.9	A299 Q307 N310 A313 L314 L317	A299-L303 HydrophobicContact CB-CD1 4.24Å; A299-L303 WeakPolarHBondContact O-CB 3.26Å; A299-L303 PolarHBondContact O-N 3.43Å; L303-Q307 HydrophobicContact CB-CB 4.27Å; L303-Q307 HydrophobicContact CD1-CB 4.48Å; L303-Q307 WeakPolarHBondContact CD1-O 3.38Å; L303-N310 WeakPolarHBondContact CD1-O 3.39Å; L303-A313 HydrophobicContact CD1-CB 4.28Å; L303-A313 HydrophobicContact CD2-CB 4.25Å; L303-L314 HydrophobicContact CD1-CB 3.88Å; L303-L314 HydrophobicContact CG-CB 4.27Å; L303-L317 HydrophobicContact CD2-CD1 4.08Å
304	P	94.3	Very high	95.8	Very high	70 Å²	70	49.8 Å²	49.8	46%	0.455	26%	0.262	S	S	.	.			trans	-53.3	150.8	168	-25.6	35.2	0	0	0	111.9	N306 Q307 R308	P304-N306 WeakPolarHBondContact CB-OD1 3.21Å; P304-N306 PolarHBondContact O-N 3.08Å; P304-N306 VanDerWaalsContact O-N 3.08Å; P304-Q307 WeakPolarHBondContact O-CA 3.38Å; P304-Q307 PolarHBondContact O-N 2.69Å; P304-R308 PolarHBondContact O-N 2.76Å
305	S	93.6	Very high	95.7	Very high	94 Å²	94	51.8 Å²	51.8	66%	0.657	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-54.2	-34.7	-175	55.1	0	0	0	0	114.1	Q307	S305-Q307 VanDerWaalsContact C-N 3.29Å; S305-Q307 PolarHBondContact O-N 3.32Å
306	N	95.4	Very high	95.7	Very high	129 Å²	129	54.9 Å²	54.9	69%	0.69	28%	0.284	S	S	*	.	G	3₁₀ helix	trans	-79.9	-1.9	177.4	67.2	-25.5	0	0	0	114.6	P304	P304-N306 WeakPolarHBondContact CB-OD1 3.21Å; P304-N306 PolarHBondContact O-N 3.08Å; P304-N306 VanDerWaalsContact O-N 3.08Å
307	Q	95.1	Very high	95.7	Very high	76 Å²	76	56.2 Å²	56.2	36%	0.355	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-121	4.7	-179.5	-64	-170.3	13.2	0	0	113.5	L303 P304 S305 T309 N310	L303-Q307 HydrophobicContact CB-CB 4.27Å; L303-Q307 HydrophobicContact CD1-CB 4.48Å; L303-Q307 WeakPolarHBondContact CD1-O 3.38Å; P304-Q307 WeakPolarHBondContact O-CA 3.38Å; P304-Q307 PolarHBondContact O-N 2.69Å; S305-Q307 VanDerWaalsContact C-N 3.29Å; S305-Q307 PolarHBondContact O-N 3.32Å; Q307-T309 PolarHBondContact O-N 3.42Å; Q307-N310 HydrophobicContact CB-CB 4.41Å; Q307-N310 WeakPolarHBondContact O-CA 3.21Å; Q307-N310 VanDerWaalsContact O-CB 3.27Å; Q307-N310 WeakPolarHBondContact O-CB 3.01Å; Q307-N310 PolarHBondContact O-N 3.04Å
308	R	93.9	Very high	95.8	Very high	77 Å²	77	56.2 Å²	56.2	29%	0.291	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	-20.2	-174.6	-71.2	177.2	170.8	170.9	-9.9	115.1	A299 Y300 P304	A299-R308 VanDerWaalsContact CB-O 3.23Å; A299-R308 WeakPolarHBondContact CB-O 3.25Å; Y300-R308 VanDerWaalsContact CD2-CZ 3.44Å; Y300-R308 PolarHBondContact O-NE 3.3Å; Y300-R308 PolarHBondContact O-NH2 3.17Å; P304-R308 PolarHBondContact O-N 2.76Å
309	T	92.7	Very high	95.8	Very high	114 Å²	114	59.9 Å²	59.9	70%	0.699	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	1	174.7	58.3	0	0	0	0	113.3	Q307 Y311	Q307-T309 PolarHBondContact O-N 3.42Å; T309-Y311 PolarHBondContact O-N 2.87Å
310	N	96.1	Very high	95.8	Very high	73 Å²	73	66 Å²	66	39%	0.39	34%	0.339	S	S	.	.			trans	-88.7	76.8	176.6	-171.7	-10.1	0	0	0	109.9	L303 Q307 Q312 A313 L314	L303-N310 WeakPolarHBondContact CD1-O 3.39Å; Q307-N310 HydrophobicContact CB-CB 4.41Å; Q307-N310 WeakPolarHBondContact O-CA 3.21Å; Q307-N310 VanDerWaalsContact O-CB 3.27Å; Q307-N310 WeakPolarHBondContact O-CB 3.01Å; Q307-N310 PolarHBondContact O-N 3.04Å; N310-Q312 PolarHBondContact O-N 3.26Å; N310-A313 HydrophobicContact CB-CB 4.06Å; N310-A313 WeakPolarHBondContact O-CB 3.38Å; N310-A313 PolarHBondContact O-N 2.97Å; N310-A313 PolarHBondContact OD1-N 2.82Å; N310-A313 VanDerWaalsContact OD1-N 3.1Å; N310-L314 PolarHBondContact O-N 3.28Å
311	Y	95.4	Very high	95.8	Very high	65 Å²	65	64 Å²	64	26%	0.255	34%	0.338	S	S	.	.	H	α-helix	trans	-62.2	-26.9	-177.8	-51.1	-40.3	0	0	0	113.2	V295 D296 T309 L314 Y315 P352	V295-Y311 HydrophobicContact CG1-CD1 4.48Å; V295-Y311 HydrophobicContact CG1-CE1 4.31Å; V295-Y311 HydrophobicContact CG2-CD1 3.62Å; V295-Y311 HydrophobicContact CG2-CE1 4.22Å; V295-Y311 HydrophobicContact CG2-CG 3.96Å; D296-Y311 VanDerWaalsContact OD1-CE1 3.28Å; D296-Y311 WeakPolarHBondContact OD1-CE1 3.29Å; D296-Y311 PolarHBondContact OD1-OH 2.88Å; T309-Y311 PolarHBondContact O-N 2.87Å; Y311-L314 PolarHBondContact O-N 2.82Å; Y311-Y315 WeakPolarHBondContact O-CB 3.37Å; Y311-Y315 PolarHBondContact O-N 2.89Å; Y311-P352 HydrophobicContact CD2-CB 3.65Å; Y311-P352 HydrophobicContact CD2-CG 3.69Å; Y311-P352 HydrophobicContact CE2-CB 3.66Å; Y311-P352 HydrophobicContact CE2-CG 4.17Å
312	Q	96.3	Very high	96	Very high	113 Å²	113	62.2 Å²	62.2	53%	0.528	34%	0.336	S	S	.	.	H	α-helix	trans	-65.2	-41.4	172.9	-169.7	64.2	41.2	0	0	111.4	N310 L314 Y315 E316	N310-Q312 PolarHBondContact O-N 3.26Å; Q312-L314 VanDerWaalsContact C-N 3.33Å; Q312-L314 PolarHBondContact O-N 2.99Å; Q312-Y315 PolarHBondContact O-N 3.1Å; Q312-E316 HydrophobicContact CG-CG 4.46Å; Q312-E316 PolarHBondContact NE2-OE1 3.02Å; Q312-E316 WeakPolarHBondContact O-CG 3.18Å; Q312-E316 PolarHBondContact O-N 3.02Å
313	A	96.9	Very high	96.1	Very high	26 Å²	26	61.2 Å²	61.2	22%	0.215	33%	0.33	C	S	.	.	H	α-helix	trans	-62.9	-39.9	176	0	0	0	0	0	112	L303 N310 L317	L303-A313 HydrophobicContact CD1-CB 4.28Å; L303-A313 HydrophobicContact CD2-CB 4.25Å; N310-A313 HydrophobicContact CB-CB 4.06Å; N310-A313 WeakPolarHBondContact O-CB 3.38Å; N310-A313 PolarHBondContact O-N 2.97Å; N310-A313 PolarHBondContact OD1-N 2.82Å; N310-A313 VanDerWaalsContact OD1-N 3.1Å; A313-L317 VanDerWaalsContact O-CB 3.26Å; A313-L317 WeakPolarHBondContact O-CB 3.4Å; A313-L317 PolarHBondContact O-N 3.19Å
314	L	97.4	Very high	96.2	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.347	C	S	.	.	H	α-helix	trans	-61.9	-48.6	173.5	177.9	64.4	0	0	0	110.9	V295 L298 A299 L302 L303 N310 Y311 Q312 E316 L317 L318 L350	V295-L314 HydrophobicContact CG2-CD2 3.93Å; L298-L314 HydrophobicContact CB-CD1 4.44Å; L298-L314 HydrophobicContact CB-CD2 3.94Å; A299-L314 HydrophobicContact CB-CD2 4.06Å; L302-L314 HydrophobicContact CB-CD1 3.94Å; L302-L314 HydrophobicContact CD1-CD1 3.94Å; L303-L314 HydrophobicContact CD1-CB 3.88Å; L303-L314 HydrophobicContact CG-CB 4.27Å; N310-L314 PolarHBondContact O-N 3.28Å; Y311-L314 PolarHBondContact O-N 2.82Å; Q312-L314 VanDerWaalsContact C-N 3.33Å; Q312-L314 PolarHBondContact O-N 2.99Å; L314-E316 PolarHBondContact O-N 3.07Å; L314-L317 PolarHBondContact O-N 2.83Å; L314-L318 HydrophobicContact CD1-CD1 3.98Å; L314-L318 HydrophobicContact CD1-CG 4.08Å; L314-L318 HydrophobicContact CG-CD1 4.13Å; L314-L318 HydrophobicContact CG-CG 4.46Å; L314-L318 WeakPolarHBondContact O-CG 3.43Å; L314-L318 PolarHBondContact O-N 3.33Å; L314-L350 HydrophobicContact CD2-CD2 4.01Å
315	Y	97.6	Very high	96.4	Very high	41 Å²	41	64.5 Å²	64.5	16%	0.161	33%	0.334	C	S	.	.	H	α-helix	trans	-57.2	-49.4	179.3	176.2	-91.4	0	0	0	111.8	Y311 Q312 L318 K319 I346 D347 L350	Y311-Y315 WeakPolarHBondContact O-CB 3.37Å; Y311-Y315 PolarHBondContact O-N 2.89Å; Q312-Y315 PolarHBondContact O-N 3.1Å; Y315-L318 PolarHBondContact O-N 3.42Å; Y315-K319 HydrophobicContact CD1-CD 4.46Å; Y315-K319 HydrophobicContact CE1-CD 3.59Å; Y315-K319 VanDerWaalsContact O-CB 3.24Å; Y315-K319 WeakPolarHBondContact O-CB 3.46Å; Y315-K319 PolarHBondContact O-N 2.78Å; Y315-K319 PolarHBondContact OH-NZ 2.94Å; Y315-K319 VanDerWaalsContact OH-NZ 3.09Å; Y315-I346 HydrophobicContact CD2-CD1 4.41Å; Y315-I346 HydrophobicContact CE2-CD1 4.03Å; Y315-I346 HydrophobicContact CE2-CG1 4.33Å; Y315-D347 WeakPolarHBondContact CE2-OD1 3.41Å; Y315-D347 VanDerWaalsContact CZ-OD1 3.24Å; Y315-D347 PolarHBondContact OH-OD1 2.86Å; Y315-L350 HydrophobicContact CD2-CD1 4.19Å
316	E	97.2	Very high	96.6	Very high	70 Å²	70	60 Å²	60	33%	0.327	30%	0.303	S	S	.	.	H	α-helix	trans	-64.8	-40.4	178.5	-67.3	-53.7	146.6	0	0	112.2	Q312 L314 L318 K319 N320	Q312-E316 HydrophobicContact CG-CG 4.46Å; Q312-E316 PolarHBondContact NE2-OE1 3.02Å; Q312-E316 WeakPolarHBondContact O-CG 3.18Å; Q312-E316 PolarHBondContact O-N 3.02Å; L314-E316 PolarHBondContact O-N 3.07Å; E316-L318 PolarHBondContact O-N 2.84Å; E316-K319 PolarHBondContact O-N 2.81Å; E316-N320 WeakPolarHBondContact O-CB 3.42Å; E316-N320 PolarHBondContact O-N 3.12Å; E316-N320 PolarHBondContact O-ND2 3.49Å
317	L	96.7	Very high	96.8	Very high	59 Å²	59	55.8 Å²	55.8	31%	0.309	28%	0.277	S	S	.	.	H	α-helix	trans	-56.5	-51.2	175.3	-178.5	159.8	0	0	0	110.6	I218 L303 A313 L314 A321	I218-L317 HydrophobicContact CD1-CD2 3.83Å; L303-L317 HydrophobicContact CD2-CD1 4.08Å; A313-L317 VanDerWaalsContact O-CB 3.26Å; A313-L317 WeakPolarHBondContact O-CB 3.4Å; A313-L317 PolarHBondContact O-N 3.19Å; L314-L317 PolarHBondContact O-N 2.83Å; L317-A321 PolarHBondContact O-N 2.54Å; L317-A321 VanDerWaalsContact O-N 3.17Å
318	L	97.7	Very high	97	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.1	-45.1	-178.6	-67.1	-173.8	0	0	0	111.6	I218 L302 L314 Y315 E316 N320 A321 G322 V323 L350 L396	I218-L318 HydrophobicContact CD1-CD2 3.46Å; I218-L318 VanDerWaalsContact CD1-CD2 3.46Å; I218-L318 HydrophobicContact CG1-CD2 3.98Å; L302-L318 HydrophobicContact CD1-CD2 3.8Å; L314-L318 HydrophobicContact CD1-CD1 3.98Å; L314-L318 HydrophobicContact CD1-CG 4.08Å; L314-L318 HydrophobicContact CG-CD1 4.13Å; L314-L318 HydrophobicContact CG-CG 4.46Å; L314-L318 WeakPolarHBondContact O-CG 3.43Å; L314-L318 PolarHBondContact O-N 3.33Å; Y315-L318 PolarHBondContact O-N 3.42Å; E316-L318 PolarHBondContact O-N 2.84Å; L318-N320 PolarHBondContact O-N 3.1Å; L318-A321 PolarHBondContact O-N 3.39Å; L318-G322 PolarHBondContact O-N 2.7Å; L318-V323 HydrophobicContact CB-CB 4.14Å; L318-V323 HydrophobicContact CD2-CG2 4.34Å; L318-V323 WeakPolarHBondContact O-CB 3.47Å; L318-V323 PolarHBondContact O-N 3.06Å; L318-L350 HydrophobicContact CB-CD1 4.5Å; L318-L350 HydrophobicContact CD1-CD1 3.56Å; L318-L350 HydrophobicContact CD1-CD2 4.04Å; L318-L350 HydrophobicContact CD1-CG 4.41Å; L318-L396 HydrophobicContact CD1-CD2 4.07Å; L318-L396 HydrophobicContact CD2-CD2 3.5Å; L318-L396 VanDerWaalsContact CD2-CD2 3.5Å; L318-L396 HydrophobicContact CG-CD2 4.46Å
319	K	97.1	Very high	97.2	Very high	80 Å²	80	50 Å²	50	35%	0.348	26%	0.255	S	S	.	.	H	α-helix	trans	-62.2	-43.6	179.5	-173.8	174	-174.4	168.2	0	112.5	Y315 E316 A321 G322 R324 I346	Y315-K319 HydrophobicContact CD1-CD 4.46Å; Y315-K319 HydrophobicContact CE1-CD 3.59Å; Y315-K319 VanDerWaalsContact O-CB 3.24Å; Y315-K319 WeakPolarHBondContact O-CB 3.46Å; Y315-K319 PolarHBondContact O-N 2.78Å; Y315-K319 PolarHBondContact OH-NZ 2.94Å; Y315-K319 VanDerWaalsContact OH-NZ 3.09Å; E316-K319 PolarHBondContact O-N 2.81Å; K319-A321 VanDerWaalsContact C-N 3.31Å; K319-A321 PolarHBondContact O-N 3.41Å; K319-G322 PolarHBondContact O-N 3.49Å; K319-R324 PolarHBondContact O-NH1 3.46Å; K319-I346 HydrophobicContact CB-CD1 4.16Å
320	N	97	Very high	97.4	Very high	130 Å²	130	44.9 Å²	44.9	70%	0.695	23%	0.225	S	C	*	.	H	α-helix	trans	-67.1	-31.6	178.9	-72.3	-28.7	0	0	0	112.6	E316 L318 G322	E316-N320 WeakPolarHBondContact O-CB 3.42Å; E316-N320 PolarHBondContact O-N 3.12Å; E316-N320 PolarHBondContact O-ND2 3.49Å; L318-N320 PolarHBondContact O-N 3.1Å; N320-G322 PolarHBondContact O-N 2.77Å
321	A	96.2	Very high	97.5	Very high	35 Å²	35	44.8 Å²	44.8	29%	0.289	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	-3	172.1	0	0	0	0	0	113.9	I218 L317 L318 K319	I218-A321 HydrophobicContact CD1-CB 3.3Å; I218-A321 HydrophobicContact CG1-CB 4.41Å; L317-A321 PolarHBondContact O-N 2.54Å; L317-A321 VanDerWaalsContact O-N 3.17Å; L318-A321 PolarHBondContact O-N 3.39Å; K319-A321 VanDerWaalsContact C-N 3.31Å; K319-A321 PolarHBondContact O-N 3.41Å
322	G	97.5	Very high	97.5	Very high	20 Å²	20	41.9 Å²	41.9	21%	0.206	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	90.4	1.4	179.5	0	0	0	0	0	114.6	L318 K319 N320 R324 T398	L318-G322 PolarHBondContact O-N 2.7Å; K319-G322 PolarHBondContact O-N 3.49Å; N320-G322 PolarHBondContact O-N 2.77Å; G322-R324 PolarHBondContact O-N 3Å; G322-T398 WeakPolarHBondContact O-CG2 3.47Å
323	V	98.4	Very high	97.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.211	C	C	.	.			trans	-63.9	131.1	175	-177.9	0	0	0	0	108.7	V217 I218 L318 I326 I346 L396 S397	V217-V323 HydrophobicContact CG2-CG2 3.64Å; I218-V323 HydrophobicContact CD1-CG2 3.94Å; I218-V323 HydrophobicContact CG1-CG2 3.95Å; L318-V323 HydrophobicContact CB-CB 4.14Å; L318-V323 HydrophobicContact CD2-CG2 4.34Å; L318-V323 WeakPolarHBondContact O-CB 3.47Å; L318-V323 PolarHBondContact O-N 3.06Å; V323-I326 HydrophobicContact CG1-CD1 4.33Å; V323-I346 HydrophobicContact CG1-CG2 3.59Å; V323-I346 VanDerWaalsContact O-CD1 3.32Å; V323-I346 WeakPolarHBondContact O-CD1 3.22Å; V323-L396 HydrophobicContact CG1-CB 4.05Å; V323-L396 HydrophobicContact CG2-CB 4.16Å; V323-S397 CarbonylContact C-O 3.49Å; V323-S397 WeakPolarHBondContact CA-O 3.47Å
324	R	97.9	Very high	96.5	Very high	113 Å²	113	40.5 Å²	40.5	43%	0.426	20%	0.203	S	C	.	.			trans	-124.3	-25.4	176.2	-59.6	-64.3	175.7	-97.4	0.9	112.4	K319 G322 P345 I346 S397 T398	K319-R324 PolarHBondContact O-NH1 3.46Å; G322-R324 PolarHBondContact O-N 3Å; R324-P345 CarbonylContact O-C 3.48Å; R324-P345 WeakPolarHBondContact O-CA 3.18Å; R324-I346 PolarHBondContact O-N 2.77Å; R324-S397 PolarHBondContact N-O 2.88Å; R324-T398 WeakPolarHBondContact CB-O 3.38Å
325	H	98.3	Very high	95.3	Very high	39 Å²	39	43.6 Å²	43.6	18%	0.181	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	149.3	179.6	-72.6	-102.8	0	0	0	111.8	L344 S397 D399	H325-L344 CarbonylContact C-O 3.44Å; H325-L344 VanDerWaalsContact CA-O 3.24Å; H325-L344 WeakPolarHBondContact CA-O 3.2Å; H325-S397 PolarHBondContact N-O 3.26Å; H325-S397 PolarHBondContact O-N 2.88Å; H325-S397 VanDerWaalsContact O-O 3.12Å; H325-D399 WeakPolarHBondContact CB-O 3.22Å
326	I	98.6	Very high	94.3	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	119.1	161.8	-50.6	-60.9	0	0	0	107	L294 L298 V323 F328 S343 L344 I346 A349 I394 L396	L294-I326 HydrophobicContact CD2-CG2 4.33Å; L298-I326 HydrophobicContact CD1-CD1 4.22Å; V323-I326 HydrophobicContact CG1-CD1 4.33Å; I326-F328 HydrophobicContact CB-CE1 4.37Å; I326-F328 HydrophobicContact CB-CZ 4.13Å; I326-F328 HydrophobicContact CG2-CD1 4.25Å; I326-F328 HydrophobicContact CG2-CE1 3.48Å; I326-F328 VanDerWaalsContact CG2-CE1 3.48Å; I326-F328 HydrophobicContact CG2-CZ 3.74Å; I326-S343 CarbonylContact O-C 3.59Å; I326-S343 WeakPolarHBondContact O-CA 3.12Å; I326-S343 VanDerWaalsContact O-CB 3.24Å; I326-S343 WeakPolarHBondContact O-CB 3.48Å; I326-L344 PolarHBondContact N-O 2.75Å; I326-L344 PolarHBondContact O-N 3.29Å; I326-I346 HydrophobicContact CD1-CG2 4.05Å; I326-I346 HydrophobicContact CG1-CG2 4.18Å; I326-A349 HydrophobicContact CB-CB 4.04Å; I326-A349 HydrophobicContact CG1-CB 3.53Å; I326-I394 HydrophobicContact CG2-CG2 3.51Å; I326-L396 HydrophobicContact CD1-CB 4.37Å; I326-L396 HydrophobicContact CD1-CG 3.88Å
327	R	98.5	Very high	93.6	Very high	40 Å²	40	44.2 Å²	44.2	15%	0.151	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	147.3	176.6	-53.6	176.2	177.4	-173	-3.4	109.7	S342 I394 T395 S397 D399 E400 E402	R327-S342 WeakPolarHBondContact CA-O 3.47Å; R327-I394 WeakPolarHBondContact O-CA 3.34Å; R327-T395 PolarHBondContact N-O 3.05Å; R327-T395 PolarHBondContact O-N 3.14Å; R327-S397 VanDerWaalsContact NE-CB 3.29Å; R327-S397 PolarHBondContact NE-OG 2.62Å; R327-S397 VanDerWaalsContact NE-OG 3.07Å; R327-S397 PolarHBondContact NH2-OG 2.83Å; R327-S397 VanDerWaalsContact NH2-OG 3.09Å; R327-D399 PolarHBondContact NE-O 3.11Å; R327-D399 PolarHBondContact NH2-O 2.73Å; R327-E400 PolarHBondContact NE-O 3.21Å; R327-E400 VanDerWaalsContact NE-O 3.16Å; R327-E400 PolarHBondContact NH2-O 3.42Å; R327-E402 IonicContact NH2-OE1 2.92Å
328	F	98.7	Very high	93.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	124.5	178.5	-47.8	-67	0	0	0	107.9	L294 I326 G341 S342 L344 I377 V388 L391 Q393 I394	L294-F328 HydrophobicContact CD1-CE1 4.5Å; L294-F328 HydrophobicContact CD2-CE1 3.89Å; L294-F328 HydrophobicContact CD2-CZ 3.79Å; I326-F328 HydrophobicContact CB-CE1 4.37Å; I326-F328 HydrophobicContact CB-CZ 4.13Å; I326-F328 HydrophobicContact CG2-CD1 4.25Å; I326-F328 HydrophobicContact CG2-CE1 3.48Å; I326-F328 VanDerWaalsContact CG2-CE1 3.48Å; I326-F328 HydrophobicContact CG2-CZ 3.74Å; F328-G341 CarbonylContact O-C 3.52Å; F328-G341 VanDerWaalsContact O-CA 3.23Å; F328-G341 WeakPolarHBondContact O-CA 3.22Å; F328-S342 PolarHBondContact N-O 2.94Å; F328-S342 PolarHBondContact O-N 2.89Å; F328-L344 HydrophobicContact CE2-CB 4.27Å; F328-L344 HydrophobicContact CE2-CD1 4.02Å; F328-L344 HydrophobicContact CE2-CG 4.01Å; F328-L344 HydrophobicContact CZ-CD1 4.29Å; F328-I377 HydrophobicContact CB-CG1 4.22Å; F328-I377 HydrophobicContact CD1-CD1 3.77Å; F328-I377 HydrophobicContact CD1-CG1 3.66Å; F328-I377 HydrophobicContact CD2-CG1 4.37Å; F328-I377 HydrophobicContact CD2-CG2 4.4Å; F328-I377 HydrophobicContact CE1-CD1 3.76Å; F328-I377 HydrophobicContact CE1-CG1 4.05Å; F328-I377 HydrophobicContact CE2-CG2 4.28Å; F328-I377 HydrophobicContact CG-CD1 4.43Å; F328-I377 HydrophobicContact CG-CG1 3.83Å; F328-I377 HydrophobicContact CZ-CD1 4.44Å; F328-I377 HydrophobicContact CZ-CG2 4.42Å; F328-V388 HydrophobicContact CB-CB 3.99Å; F328-V388 HydrophobicContact CB-CG1 4.44Å; F328-V388 HydrophobicContact CB-CG2 3.76Å; F328-L391 HydrophobicContact CB-CD1 3.91Å; F328-L391 HydrophobicContact CD1-CD1 4.42Å; F328-Q393 WeakPolarHBondContact CA-O 3.34Å; F328-I394 HydrophobicContact CD1-CG1 4.2Å; F328-I394 HydrophobicContact CD1-CG2 4.37Å; F328-I394 HydrophobicContact CE1-CG2 4.31Å
329	D	98.4	Very high	92.9	Very high	33 Å²	33	43.8 Å²	43.8	18%	0.176	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	133.5	176.4	-62.5	-45.9	0	0	0	109.9	A339 G341 G392 Q393	D329-A339 HydrophobicContact CB-CB 4.07Å; D329-G341 WeakPolarHBondContact OD1-CA 3Å; D329-G392 PolarHBondContact O-N 2.88Å; D329-Q393 HydrophobicContact CB-CB 4.38Å; D329-Q393 PolarHBondContact N-O 3.36Å; D329-Q393 PolarHBondContact O-N 2.78Å; D329-Q393 VanDerWaalsContact O-N 3.16Å
330	G	98.4	Very high	92.9	Very high	6 Å²	6	40.6 Å²	40.6	6%	0.062	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	170.7	176.3	0	0	0	0	0	112.5	D332 A339 F340 W390	G330-D332 VanDerWaalsContact C-N 3.32Å; G330-A339 WeakPolarHBondContact O-CB 3.41Å; G330-F340 PolarHBondContact N-O 3.06Å; G330-W390 CarbonylContact C-O 3.49Å; G330-W390 WeakPolarHBondContact CA-O 3.46Å
331	L	97.6	Very high	92.9	Very high	71 Å²	71	34.4 Å²	34.4	37%	0.372	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	-7	171.5	-65.9	172.6	0	0	0	112.5	P202 V204 Y209 M333 W390	P202-L331 HydrophobicContact CB-CB 4.15Å; P202-L331 HydrophobicContact CG-CB 3.99Å; V204-L331 HydrophobicContact CG1-CD1 4.27Å; V204-L331 HydrophobicContact CG2-CD1 3.8Å; Y209-L331 HydrophobicContact CD2-CD1 4.09Å; Y209-L331 HydrophobicContact CE2-CD1 3.99Å; L331-M333 PolarHBondContact O-N 3.05Å; L331-W390 HydrophobicContact CB-CB 4.1Å; L331-W390 VanDerWaalsContact CG-O 3.27Å; L331-W390 WeakPolarHBondContact CG-O 3.47Å; L331-W390 PolarHBondContact N-O 3.09Å
332	D	95.7	Very high	93	Very high	4 Å²	4	32.7 Å²	32.7	2%	0.021	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	112	174.1	60.2	-45.9	0	0	0	110.3	L199 P202 G330 A339 F340 W390	L199-D332 HydrophobicContact CB-CB 3.97Å; L199-D332 HydrophobicContact CD1-CB 4.08Å; L199-D332 VanDerWaalsContact CD1-O 3.27Å; L199-D332 WeakPolarHBondContact CD1-O 3.41Å; P202-D332 HydrophobicContact CG-CB 3.94Å; G330-D332 VanDerWaalsContact C-N 3.32Å; D332-A339 WeakPolarHBondContact O-CA 3.46Å; D332-F340 PolarHBondContact O-N 2.88Å; D332-F340 WeakPolarHBondContact OD1-CB 3.3Å; D332-F340 WeakPolarHBondContact OD2-CB 3.38Å; D332-W390 HydrophobicContact CB-CE3 3.85Å; D332-W390 HydrophobicContact CB-CZ3 3.91Å; D332-W390 VanDerWaalsContact CG-CE3 3.46Å; D332-W390 VanDerWaalsContact CG-CZ3 3.47Å; D332-W390 WeakPolarHBondContact OD2-CZ3 3.23Å
333	M	89.9	Confident	93	Very high	99 Å²	99	32 Å²	32	49%	0.488	18%	0.184	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	140.9	-174.1	-57	-67.4	-86.6	0	0	110.9	L331 G337 A339	L331-M333 PolarHBondContact O-N 3.05Å; M333-G337 WeakPolarHBondContact CE-O 3.45Å; M333-A339 VanDerWaalsContact SD-CA 3.52Å; M333-A339 HydrophobicContact SD-CB 3.5Å; M333-A339 WeakPolarHBondContact SD-CB 3.28Å
334	D	82.8	Confident	93	Very high	10 Å²	10	32 Å²	32	5%	0.053	18%	0.184	C	C	.	.			trans	-82.3	172.2	168.3	80.3	19.6	0	0	0	111.7	K104 Y120 L199 T336 G337 G338	K104-D334 IonicContact NZ-OD2 3.37Å; K104-D334 PolarHBondContact NZ-OD2 3.09Å; Y120-D334 WeakPolarHBondContact OH-CB 3.41Å; Y120-D334 PolarHBondContact OH-OD2 2.82Å; L199-D334 HydrophobicContact CD1-CB 4.36Å; L199-D334 HydrophobicContact CD2-CB 3.94Å; D334-T336 PolarHBondContact O-N 2.76Å; D334-T336 VanDerWaalsContact O-N 3.07Å; D334-T336 WeakPolarHBondContact OD1-CA 3.45Å; D334-T336 WeakPolarHBondContact OD1-CB 3.38Å; D334-T336 PolarHBondContact OD1-N 3.06Å; D334-T336 PolarHBondContact OD1-OG1 3.05Å; D334-G337 PolarHBondContact O-N 2.79Å; D334-G337 PolarHBondContact OD1-N 3.5Å; D334-G338 PolarHBondContact N-O 3.32Å; D334-G338 PolarHBondContact OD1-N 3.17Å
335	P	72.4	Confident	93	Very high	66 Å²	66	28.7 Å²	28.7	43%	0.429	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-19.7	-175.6	-21.2	34.7	0	0	0	113.7	V119 G337	V119-P335 HydrophobicContact CB-CG 3.61Å; V119-P335 HydrophobicContact CG1-CG 3.85Å; V119-P335 HydrophobicContact CG2-CB 4.45Å; V119-P335 HydrophobicContact CG2-CG 3.34Å; P335-G337 VanDerWaalsContact C-N 3.27Å
336	T	76.2	Confident	92.9	Very high	76 Å²	76	27 Å²	27	47%	0.466	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	0.9	178.2	66.9	0	0	0	0	112.9	L107 D334	L107-T336 HydrophobicContact CD1-CG2 3.47Å; L107-T336 VanDerWaalsContact CD1-CG2 3.47Å; L107-T336 HydrophobicContact CD2-CG2 4.02Å; L107-T336 HydrophobicContact CG-CG2 4.27Å; D334-T336 PolarHBondContact O-N 2.76Å; D334-T336 VanDerWaalsContact O-N 3.07Å; D334-T336 WeakPolarHBondContact OD1-CA 3.45Å; D334-T336 WeakPolarHBondContact OD1-CB 3.38Å; D334-T336 PolarHBondContact OD1-N 3.06Å; D334-T336 PolarHBondContact OD1-OG1 3.05Å
337	G	81.2	Confident	92.8	Very high	47 Å²	47	31.4 Å²	31.4	49%	0.485	19%	0.193	S	C	.	.	S	Bend	trans	79.6	17	-173.9	0	0	0	0	0	113.3	M333 D334 P335	M333-G337 WeakPolarHBondContact CE-O 3.45Å; D334-G337 PolarHBondContact O-N 2.79Å; D334-G337 PolarHBondContact OD1-N 3.5Å; P335-G337 VanDerWaalsContact C-N 3.27Å
338	G	87.3	Confident	92.7	Very high	27 Å²	27	32 Å²	32	28%	0.278	20%	0.199	S	C	.	.			trans	-86.6	120.3	174.9	0	0	0	0	0	111.9	D334	D334-G338 PolarHBondContact N-O 3.32Å; D334-G338 PolarHBondContact OD1-N 3.17Å
339	A	93.3	Very high	92.7	Very high	23 Å²	23	32 Å²	32	19%	0.19	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	150.2	175.3	0	0	0	0	0	112.5	D329 G330 D332 M333 G341 W405	D329-A339 HydrophobicContact CB-CB 4.07Å; G330-A339 WeakPolarHBondContact O-CB 3.41Å; D332-A339 WeakPolarHBondContact O-CA 3.46Å; M333-A339 VanDerWaalsContact SD-CA 3.52Å; M333-A339 HydrophobicContact SD-CB 3.5Å; M333-A339 WeakPolarHBondContact SD-CB 3.28Å; A339-G341 PolarHBondContact O-N 3.49Å; A339-W405 VanDerWaalsContact O-CZ3 3.31Å; A339-W405 WeakPolarHBondContact O-CZ3 3.3Å
340	F	96.4	Very high	92.6	Very high	13 Å²	13	30.9 Å²	30.9	6%	0.057	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.9	107.4	160.7	-175.5	-90.6	0	0	0	110.4	H198 G330 D332 A385 V388 W405	H198-F340 HydrophobicContact CB-CD2 4.4Å; H198-F340 AromaticContact CE1-CD2 3.96Å; H198-F340 AromaticContact CE1-CE2 3.23Å; H198-F340 WeakPolarHBondContact CE1-CE2 3.24Å; H198-F340 AromaticContact CE1-CZ 3.92Å; H198-F340 AromaticContact ND1-CD2 3.56Å; H198-F340 AromaticContact ND1-CE2 3.29Å; H198-F340 VanDerWaalsContact ND1-CE2 3.29Å; H198-F340 WeakPolarHBondContact ND1-CE2 3.13Å; H198-F340 AromaticContact NE2-CE2 3.98Å; G330-F340 PolarHBondContact N-O 3.06Å; D332-F340 PolarHBondContact O-N 2.88Å; D332-F340 WeakPolarHBondContact OD1-CB 3.3Å; D332-F340 WeakPolarHBondContact OD2-CB 3.38Å; F340-A385 WeakPolarHBondContact CZ-O 3.34Å; F340-V388 HydrophobicContact CD1-CG1 4.37Å; F340-V388 HydrophobicContact CD1-CG2 4.2Å; F340-V388 HydrophobicContact CE1-CG2 4.02Å; F340-W405 HydrophobicContact CB-CE3 4.21Å; F340-W405 HydrophobicContact CB-CH2 4.47Å; F340-W405 HydrophobicContact CB-CZ3 4.06Å; F340-W405 HydrophobicContact CD2-CB 4.29Å; F340-W405 AromaticContact CD2-CD2 3.37Å; F340-W405 HydrophobicContact CD2-CD2 3.37Å; F340-W405 AromaticContact CD2-CE2 3.79Å; F340-W405 AromaticContact CD2-CE3 3.51Å; F340-W405 HydrophobicContact CD2-CE3 3.51Å; F340-W405 AromaticContact CD2-CG 3.75Å; F340-W405 HydrophobicContact CD2-CG 3.75Å; F340-W405 HydrophobicContact CD2-CH2 4.36Å; F340-W405 HydrophobicContact CD2-CZ2 4.24Å; F340-W405 HydrophobicContact CD2-CZ3 4.06Å; F340-W405 HydrophobicContact CE2-CB 3.71Å; F340-W405 AromaticContact CE2-CD1 3.94Å; F340-W405 AromaticContact CE2-CD2 3.66Å; F340-W405 HydrophobicContact CE2-CD2 3.66Å; F340-W405 HydrophobicContact CE2-CE3 4.16Å; F340-W405 AromaticContact CE2-CG 3.46Å; F340-W405 HydrophobicContact CE2-CG 3.46Å; F340-W405 VanDerWaalsContact CE2-CG 3.46Å; F340-W405 HydrophobicContact CG-CD2 4.42Å; F340-W405 HydrophobicContact CG-CE3 4.15Å; F340-W405 HydrophobicContact CG-CZ3 4.48Å; F340-W405 HydrophobicContact CZ-CB 4.34Å
341	G	97.3	Very high	92.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	152.9	-177.3	0	0	0	0	0	114.1	F328 D329 A339 S403	F328-G341 CarbonylContact O-C 3.52Å; F328-G341 VanDerWaalsContact O-CA 3.23Å; F328-G341 WeakPolarHBondContact O-CA 3.22Å; D329-G341 WeakPolarHBondContact OD1-CA 3Å; A339-G341 PolarHBondContact O-N 3.49Å; G341-S403 PolarHBondContact N-OG 3.49Å; G341-S403 WeakPolarHBondContact O-CB 3.47Å; G341-S403 PolarHBondContact O-OG 2.99Å
342	S	97.9	Very high	92.1	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	-179.6	167.4	-164.9	0	0	0	0	111	R327 F328 R386 S401 Q406	R327-S342 WeakPolarHBondContact CA-O 3.47Å; F328-S342 PolarHBondContact N-O 2.94Å; F328-S342 PolarHBondContact O-N 2.89Å; S342-R386 WeakPolarHBondContact OG-CD 3.23Å; S342-R386 PolarHBondContact OG-NH1 3.37Å; S342-S401 WeakPolarHBondContact O-CB 3.23Å; S342-Q406 PolarHBondContact OG-OE1 2.93Å
343	S	98	Very high	91.8	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.028	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	160.1	176.9	64.7	0	0	0	0	112.9	I326 E400 S401 Q406	I326-S343 CarbonylContact O-C 3.59Å; I326-S343 WeakPolarHBondContact O-CA 3.12Å; I326-S343 VanDerWaalsContact O-CB 3.24Å; I326-S343 WeakPolarHBondContact O-CB 3.48Å; S343-E400 WeakPolarHBondContact OG-CA 3.23Å; S343-E400 WeakPolarHBondContact OG-CB 3.33Å; S343-S401 PolarHBondContact OG-N 3.14Å; S343-S401 VanDerWaalsContact OG-N 3.07Å; S343-Q406 PolarHBondContact OG-NE2 3.01Å
344	L	97.8	Very high	91.9	Very high	1 Å²	1	33 Å²	33	1%	0.005	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	142.3	170.4	-77.4	175.4	0	0	0	110.4	H325 I326 F328 A349 V356 I379 L431	H325-L344 CarbonylContact C-O 3.44Å; H325-L344 VanDerWaalsContact CA-O 3.24Å; H325-L344 WeakPolarHBondContact CA-O 3.2Å; I326-L344 PolarHBondContact N-O 2.75Å; I326-L344 PolarHBondContact O-N 3.29Å; F328-L344 HydrophobicContact CE2-CB 4.27Å; F328-L344 HydrophobicContact CE2-CD1 4.02Å; F328-L344 HydrophobicContact CE2-CG 4.01Å; F328-L344 HydrophobicContact CZ-CD1 4.29Å; L344-A349 HydrophobicContact CB-CB 3.93Å; L344-A349 HydrophobicContact CD1-CB 4.27Å; L344-V356 HydrophobicContact CD1-CG1 4.43Å; L344-V356 HydrophobicContact CD1-CG2 4.12Å; L344-I379 HydrophobicContact CD1-CD1 3.52Å; L344-I379 HydrophobicContact CD1-CG1 3.77Å; L344-I379 HydrophobicContact CD1-CG2 4.06Å; L344-I379 HydrophobicContact CD2-CD1 4.1Å; L344-I379 HydrophobicContact CD2-CG2 4.38Å; L344-I379 HydrophobicContact CG-CD1 3.83Å; L344-L431 HydrophobicContact CD2-CD1 3.38Å
345	P	97.6	Very high	92.4	Very high	44 Å²	44	33.5 Å²	33.5	29%	0.286	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	144.4	163.1	-21.9	32.9	0	0	0	111.1	R324 D347 L348 A349	R324-P345 CarbonylContact O-C 3.48Å; R324-P345 WeakPolarHBondContact O-CA 3.18Å; P345-D347 PolarHBondContact O-N 2.91Å; P345-L348 HydrophobicContact CG-CD1 4.49Å; P345-L348 PolarHBondContact O-N 3.4Å; P345-A349 PolarHBondContact O-N 2.79Å
346	I	97.7	Very high	93.6	Very high	4 Å²	4	30.6 Å²	30.6	2%	0.021	19%	0.186	C	C	.	.	H	α-helix	trans	-60.5	-30.8	-178	58.3	159.4	0	0	0	112.6	Y315 K319 V323 R324 I326 L348 A349 L350	Y315-I346 HydrophobicContact CD2-CD1 4.41Å; Y315-I346 HydrophobicContact CE2-CD1 4.03Å; Y315-I346 HydrophobicContact CE2-CG1 4.33Å; K319-I346 HydrophobicContact CB-CD1 4.16Å; V323-I346 HydrophobicContact CG1-CG2 3.59Å; V323-I346 VanDerWaalsContact O-CD1 3.32Å; V323-I346 WeakPolarHBondContact O-CD1 3.22Å; R324-I346 PolarHBondContact O-N 2.77Å; I326-I346 HydrophobicContact CD1-CG2 4.05Å; I326-I346 HydrophobicContact CG1-CG2 4.18Å; I346-L348 PolarHBondContact O-N 2.86Å; I346-A349 PolarHBondContact O-N 2.91Å; I346-L350 HydrophobicContact CB-CD1 4Å; I346-L350 HydrophobicContact CB-CG 4.42Å; I346-L350 VanDerWaalsContact O-CB 3.29Å; I346-L350 WeakPolarHBondContact O-CB 3.32Å; I346-L350 WeakPolarHBondContact O-CG 3.42Å; I346-L350 PolarHBondContact O-N 3.2Å
347	D	96.7	Very high	94.7	Very high	92 Å²	92	27 Å²	27	49%	0.492	16%	0.164	S	C	.	.	H	α-helix	trans	-59.6	-27.1	176.9	-58.3	-60.8	0	0	0	112.3	Y315 P345 D351	Y315-D347 WeakPolarHBondContact CE2-OD1 3.41Å; Y315-D347 VanDerWaalsContact CZ-OD1 3.24Å; Y315-D347 PolarHBondContact OH-OD1 2.86Å; P345-D347 PolarHBondContact O-N 2.91Å; D347-D351 WeakPolarHBondContact O-CB 3.32Å
348	L	96.4	Very high	95.5	Very high	51 Å²	51	24.7 Å²	24.7	27%	0.267	14%	0.141	S	C	.	.	H	α-helix	trans	-101.9	-37.2	178.8	-61	177.5	0	0	0	112.3	P345 I346 L350 L431	P345-L348 HydrophobicContact CG-CD1 4.49Å; P345-L348 PolarHBondContact O-N 3.4Å; I346-L348 PolarHBondContact O-N 2.86Å; L348-L350 VanDerWaalsContact C-N 3.29Å; L348-L350 PolarHBondContact O-N 3.28Å; L348-L431 HydrophobicContact CD1-CD2 3.3Å
349	A	97.6	Very high	96.1	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.017	13%	0.127	C	C	.	.	H	α-helix	trans	-66.1	-32.7	179.8	0	0	0	0	0	112.5	L294 I326 L344 P345 I346	L294-A349 HydrophobicContact CD2-CB 4.11Å; I326-A349 HydrophobicContact CB-CB 4.04Å; I326-A349 HydrophobicContact CG1-CB 3.53Å; L344-A349 HydrophobicContact CB-CB 3.93Å; L344-A349 HydrophobicContact CD1-CB 4.27Å; P345-A349 PolarHBondContact O-N 2.79Å; I346-A349 PolarHBondContact O-N 2.91Å
350	L	96.7	Very high	96.3	Very high	8 Å²	8	22.8 Å²	22.8	4%	0.042	12%	0.12	C	C	.	.	S	Bend	trans	-100.6	-2.3	-177.6	-54.2	175.8	0	0	0	113.2	V295 L298 L314 Y315 L318 I346 L348 P352	V295-L350 HydrophobicContact CG2-CB 4.47Å; V295-L350 WeakPolarHBondContact CG2-O 3.43Å; L298-L350 HydrophobicContact CD1-CD2 3.72Å; L314-L350 HydrophobicContact CD2-CD2 4.01Å; Y315-L350 HydrophobicContact CD2-CD1 4.19Å; L318-L350 HydrophobicContact CB-CD1 4.5Å; L318-L350 HydrophobicContact CD1-CD1 3.56Å; L318-L350 HydrophobicContact CD1-CD2 4.04Å; L318-L350 HydrophobicContact CD1-CG 4.41Å; I346-L350 HydrophobicContact CB-CD1 4Å; I346-L350 HydrophobicContact CB-CG 4.42Å; I346-L350 VanDerWaalsContact O-CB 3.29Å; I346-L350 WeakPolarHBondContact O-CB 3.32Å; I346-L350 WeakPolarHBondContact O-CG 3.42Å; I346-L350 PolarHBondContact O-N 3.2Å; L348-L350 VanDerWaalsContact C-N 3.29Å; L348-L350 PolarHBondContact O-N 3.28Å; L350-P352 WeakPolarHBondContact O-CD 3.45Å
351	D	94.5	Very high	96.4	Very high	57 Å²	57	25.9 Å²	25.9	31%	0.305	13%	0.134	S	C	.	.			trans	-70.5	112.2	177.3	177.7	10.2	0	0	0	109.9	D347 Q353 R354	D347-D351 WeakPolarHBondContact O-CB 3.32Å; D351-Q353 PolarHBondContact O-N 3.3Å; D351-Q353 VanDerWaalsContact O-N 3.14Å; D351-Q353 WeakPolarHBondContact OD1-CA 3.48Å; D351-Q353 VanDerWaalsContact OD1-CB 3.27Å; D351-Q353 WeakPolarHBondContact OD1-CB 3.22Å; D351-Q353 PolarHBondContact OD1-N 2.84Å; D351-R354 HydrophobicContact CB-CB 3.99Å; D351-R354 WeakPolarHBondContact O-CB 3.35Å; D351-R354 PolarHBondContact O-N 2.72Å
352	P	91	Very high	96.5	Very high	40 Å²	40	26 Å²	26	26%	0.26	13%	0.134	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63	-20.1	177.2	30.8	-39.8	0	0	0	112.5	Y311 L350 E355	Y311-P352 HydrophobicContact CD2-CB 3.65Å; Y311-P352 HydrophobicContact CD2-CG 3.69Å; Y311-P352 HydrophobicContact CE2-CB 3.66Å; Y311-P352 HydrophobicContact CE2-CG 4.17Å; L350-P352 WeakPolarHBondContact O-CD 3.45Å; P352-E355 WeakPolarHBondContact O-CG 3.33Å
353	Q	90	Very high	96.4	Very high	110 Å²	110	27.3 Å²	27.3	51%	0.514	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.3	-20.9	174.3	-56	-58	-50.3	0	0	112.6	D351 E355 K513 W515	D351-Q353 PolarHBondContact O-N 3.3Å; D351-Q353 VanDerWaalsContact O-N 3.14Å; D351-Q353 WeakPolarHBondContact OD1-CA 3.48Å; D351-Q353 VanDerWaalsContact OD1-CB 3.27Å; D351-Q353 WeakPolarHBondContact OD1-CB 3.22Å; D351-Q353 PolarHBondContact OD1-N 2.84Å; Q353-E355 VanDerWaalsContact C-N 3.34Å; Q353-K513 WeakPolarHBondContact O-CE 3.36Å; Q353-W515 WeakPolarHBondContact O-CZ2 3.46Å
354	R	91.5	Very high	96.3	Very high	17 Å²	17	31.7 Å²	31.7	6%	0.064	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.2	-20.4	175.5	-167.2	60	-178.6	-121.1	4.1	112.9	D351 V356 P380 S382 D432	D351-R354 HydrophobicContact CB-CB 3.99Å; D351-R354 WeakPolarHBondContact O-CB 3.35Å; D351-R354 PolarHBondContact O-N 2.72Å; R354-V356 HydrophobicContact CB-CG2 4.41Å; R354-V356 HydrophobicContact CG-CG2 4.02Å; R354-V356 PolarHBondContact O-N 3.44Å; R354-P380 PolarHBondContact NE-O 2.8Å; R354-P380 PolarHBondContact NH2-O 3.45Å; R354-P380 WeakPolarHBondContact O-CD 3.43Å; R354-S382 PolarHBondContact NH2-OG 3.12Å; R354-D432 IonicContact CZ-OD1 3.9Å; R354-D432 IonicContact NH1-OD1 3.69Å; R354-D432 IonicContact NH1-OD2 3.68Å; R354-D432 IonicContact NH2-OD1 2.81Å; R354-D432 PolarHBondContact NH2-OD1 3.46Å
355	E	93.5	Very high	96.3	Very high	21 Å²	21	38.7 Å²	38.7	10%	0.098	20%	0.195	C	C	.	.			trans	53.7	48	175.1	-60	178	111.8	0	0	112.4	K241 L243 L293 P352 Q353 I357 P380 K513 W515	K241-E355 WeakPolarHBondContact CE-OE1 3.41Å; K241-E355 IonicContact NZ-OE1 3.76Å; K241-E355 PolarHBondContact NZ-OE1 2.57Å; L243-E355 HydrophobicContact CD2-CB 3.68Å; L293-E355 HydrophobicContact CD2-CB 4.19Å; P352-E355 WeakPolarHBondContact O-CG 3.33Å; Q353-E355 VanDerWaalsContact C-N 3.34Å; E355-I357 WeakPolarHBondContact O-CG1 3.38Å; E355-I357 PolarHBondContact O-N 3.25Å; E355-P380 WeakPolarHBondContact O-CD 3.32Å; E355-P380 WeakPolarHBondContact O-CG 3.48Å; E355-K513 IonicContact OE2-NZ 3.73Å; E355-W515 PolarHBondContact OE2-NE1 3.13Å
356	V	97.9	Very high	96.3	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.03	21%	0.208	C	C	.	.			trans	-67.2	124.6	174.1	-177.8	0	0	0	0	109.2	L293 L294 L344 R354 I377 I378 I379	L293-V356 CarbonylContact C-O 3.46Å; L293-V356 WeakPolarHBondContact CA-O 3.47Å; L294-V356 HydrophobicContact CB-CB 4.16Å; L294-V356 HydrophobicContact CB-CG1 3.95Å; L294-V356 HydrophobicContact CD2-CB 4.42Å; L294-V356 HydrophobicContact CD2-CG1 3.79Å; L294-V356 PolarHBondContact N-O 2.86Å; L344-V356 HydrophobicContact CD1-CG1 4.43Å; L344-V356 HydrophobicContact CD1-CG2 4.12Å; R354-V356 HydrophobicContact CB-CG2 4.41Å; R354-V356 HydrophobicContact CG-CG2 4.02Å; R354-V356 PolarHBondContact O-N 3.44Å; V356-I377 HydrophobicContact CG1-CG2 4.41Å; V356-I378 WeakPolarHBondContact CA-O 3.49Å; V356-I379 HydrophobicContact CG1-CG1 4.14Å; V356-I379 HydrophobicContact CG2-CG2 4.34Å
357	I	98.2	Very high	96.3	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	134.3	-173	-68.5	171	0	0	0	110.5	K241 L243 G291 V292 L293 E355 A359 I378	K241-I357 HydrophobicContact CB-CD1 4.43Å; K241-I357 HydrophobicContact CG-CD1 4.04Å; L243-I357 HydrophobicContact CD2-CD1 3.34Å; L243-I357 HydrophobicContact CD2-CG1 4.3Å; L243-I357 HydrophobicContact CG-CD1 3.6Å; G291-I357 VanDerWaalsContact CA-CG2 3.43Å; V292-I357 CarbonylContact O-C 3.58Å; V292-I357 WeakPolarHBondContact O-CA 3.4Å; L293-I357 HydrophobicContact CD2-CG1 3.84Å; E355-I357 WeakPolarHBondContact O-CG1 3.38Å; E355-I357 PolarHBondContact O-N 3.25Å; I357-A359 HydrophobicContact CG2-CB 3.95Å; I357-A359 PolarHBondContact O-N 3.08Å; I357-I378 HydrophobicContact CB-CB 4.32Å; I357-I378 PolarHBondContact N-O 3.21Å; I357-I378 PolarHBondContact O-N 2.99Å
358	V	98.7	Very high	96.4	Very high	0 Å²	0	39 Å²	39	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	93.3	159	-174.5	0	0	0	0	107.2	L211 G291 V292 L294 L297 L375 R376 I377 L391 I394	L211-V358 HydrophobicContact CD2-CG1 4.4Å; G291-V358 CarbonylContact C-O 3.11Å; G291-V358 WeakPolarHBondContact CA-O 3.46Å; V292-V358 PolarHBondContact N-O 3.47Å; V292-V358 PolarHBondContact O-N 3.25Å; L294-V358 HydrophobicContact CD1-CG2 4.27Å; L297-V358 HydrophobicContact CD2-CG2 3.96Å; V358-L375 HydrophobicContact CG1-CB 4.39Å; V358-L375 HydrophobicContact CG1-CD1 3.96Å; V358-L375 HydrophobicContact CG1-CD2 4.33Å; V358-L375 HydrophobicContact CG1-CG 4.48Å; V358-R376 CarbonylContact C-O 3.57Å; V358-I377 HydrophobicContact CG2-CD1 3.91Å; V358-L391 HydrophobicContact CG1-CD2 4Å; V358-I394 HydrophobicContact CG2-CD1 4.32Å
359	A	98.7	Very high	96.5	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	140.2	-169.6	0	0	0	0	0	111.9	W289 T290 I357 L367 L375 R376 I378	W289-A359 HydrophobicContact CE3-CB 4.47Å; T290-A359 WeakPolarHBondContact O-CA 3.44Å; I357-A359 HydrophobicContact CG2-CB 3.95Å; I357-A359 PolarHBondContact O-N 3.08Å; A359-L367 WeakPolarHBondContact O-CD1 3.49Å; A359-L375 WeakPolarHBondContact O-CA 3.38Å; A359-R376 HydrophobicContact CB-CG 4.01Å; A359-R376 PolarHBondContact N-O 3.34Å; A359-R376 PolarHBondContact O-N 3.16Å; A359-I378 HydrophobicContact CB-CG1 3.68Å
360	F	98.6	Very high	96.5	Very high	10 Å²	10	39.9 Å²	39.9	4%	0.044	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	-10.1	173.6	52.4	-101.7	0	0	0	113	L235 H240 T290 G291 V292 P366 L367 L375	L235-F360 HydrophobicContact CD2-CB 3.8Å; L235-F360 HydrophobicContact CD2-CD1 3.71Å; L235-F360 HydrophobicContact CD2-CD2 3.28Å; L235-F360 HydrophobicContact CD2-CE1 4.07Å; L235-F360 HydrophobicContact CD2-CE2 3.75Å; L235-F360 HydrophobicContact CD2-CG 3.31Å; L235-F360 HydrophobicContact CD2-CZ 4.12Å; H240-F360 AromaticContact CD2-CZ 3.66Å; H240-F360 AromaticContact CE1-CZ 3.56Å; H240-F360 AromaticContact CG-CZ 3.71Å; H240-F360 AromaticContact ND1-CZ 3.64Å; H240-F360 AromaticContact NE2-CZ 3.57Å; T290-F360 HydrophobicContact CG2-CE2 4.41Å; T290-F360 HydrophobicContact CG2-CZ 4.38Å; T290-F360 PolarHBondContact O-N 2.57Å; G291-F360 VanDerWaalsContact CA-CE1 3.41Å; V292-F360 HydrophobicContact CG2-CE1 4.2Å; F360-P366 WeakPolarHBondContact O-CA 3.24Å; F360-L367 PolarHBondContact O-N 2.74Å; F360-L375 HydrophobicContact CB-CD2 3.61Å; F360-L375 HydrophobicContact CD1-CD2 4.44Å
361	K	98.5	Very high	96.6	Very high	78 Å²	78	39.9 Å²	39.9	34%	0.339	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	149.7	168.1	-59.6	174.5	-179.5	175.3	0	112.3	T290 K365	T290-K361 PolarHBondContact N-O 2.78Å; T290-K361 PolarHBondContact O-N 3.45Å; K361-K365 CarbonylContact C-O 3.49Å; K361-K365 WeakPolarHBondContact CA-O 3.38Å; K361-K365 WeakPolarHBondContact CB-O 3.47Å
362	M	98.2	Very high	96.8	Very high	1 Å²	1	37.1 Å²	37.1	1%	0.005	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	126.2	169.7	175.7	-174.3	176.4	0	0	108.2	T190 F193 A287 E288 W289 N364 K365 L367 H371	T190-M362 HydrophobicContact CG2-CE 4.18Å; T190-M362 HydrophobicContact CG2-SD 4.01Å; F193-M362 HydrophobicContact CB-CE 3.6Å; F193-M362 HydrophobicContact CD1-CE 4Å; F193-M362 HydrophobicContact CD2-CE 3.13Å; F193-M362 HydrophobicContact CE2-CE 3.71Å; F193-M362 HydrophobicContact CG-CE 3.31Å; F193-M362 HydrophobicContact CZ-CE 4.38Å; A287-M362 HydrophobicContact CB-CE 3.86Å; A287-M362 HydrophobicContact CB-CG 3.84Å; E288-M362 CarbonylContact O-C 3.6Å; E288-M362 VanDerWaalsContact O-CA 3.3Å; E288-M362 WeakPolarHBondContact O-CA 2.97Å; W289-M362 HydrophobicContact CE3-CB 3.96Å; W289-M362 HydrophobicContact CE3-CG 4.13Å; W289-M362 HydrophobicContact CH2-CB 4.44Å; W289-M362 HydrophobicContact CH2-CE 4.1Å; W289-M362 HydrophobicContact CH2-CG 3.9Å; W289-M362 HydrophobicContact CH2-SD 3.65Å; W289-M362 HydrophobicContact CZ3-CB 3.7Å; W289-M362 HydrophobicContact CZ3-CG 3.66Å; W289-M362 HydrophobicContact CZ3-SD 3.76Å; M362-N364 VanDerWaalsContact C-N 3.31Å; M362-N364 PolarHBondContact O-N 2.88Å; M362-K365 PolarHBondContact N-O 3.24Å; M362-K365 PolarHBondContact O-N 3.34Å; M362-K365 VanDerWaalsContact O-O 3.12Å; M362-L367 HydrophobicContact CB-CD2 3.71Å; M362-H371 HydrophobicContact SD-CB 3.94Å
363	N	96.3	Very high	97.2	Very high	29 Å²	29	37.7 Å²	37.7	16%	0.155	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	50.5	50.2	-176.2	-61	-28.3	0	0	0	112	I187 T188 T190 A287 E288 K365	I187-N363 WeakPolarHBondContact CG2-OD1 3.4Å; T188-N363 PolarHBondContact O-ND2 2.99Å; T190-N363 PolarHBondContact OG1-ND2 3.4Å; T190-N363 VanDerWaalsContact OG1-ND2 3.1Å; A287-N363 WeakPolarHBondContact CA-OD1 3.31Å; A287-N363 WeakPolarHBondContact CB-OD1 3.18Å; E288-N363 PolarHBondContact N-OD1 3.28Å; E288-N363 PolarHBondContact O-N 2.74Å; N363-K365 PolarHBondContact O-N 3.07Å
364	N	95.3	Very high	97.6	Very high	95 Å²	95	32.6 Å²	32.6	51%	0.508	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.8	3.9	179.6	-63.6	-59.4	0	0	0	116.9	E288 M362	E288-N364 PolarHBondContact OE2-ND2 3.06Å; M362-N364 VanDerWaalsContact C-N 3.31Å; M362-N364 PolarHBondContact O-N 2.88Å
365	K	97.8	Very high	97.9	Very high	148 Å²	148	31.8 Å²	31.8	64%	0.643	16%	0.158	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.1	156.5	175.5	-65.2	-179.2	-178.4	178.8	0	110.4	K361 M362 N363	K361-K365 CarbonylContact C-O 3.49Å; K361-K365 WeakPolarHBondContact CA-O 3.38Å; K361-K365 WeakPolarHBondContact CB-O 3.47Å; M362-K365 PolarHBondContact N-O 3.24Å; M362-K365 PolarHBondContact O-N 3.34Å; M362-K365 VanDerWaalsContact O-O 3.12Å; N363-K365 PolarHBondContact O-N 3.07Å
366	P	98.1	Very high	98.2	Very high	87 Å²	87	31.3 Å²	31.3	57%	0.565	16%	0.155	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-49.4	148.4	168.7	-25.9	35.2	0	0	0	111.4	F360 T368	F360-P366 WeakPolarHBondContact O-CA 3.24Å; P366-T368 PolarHBondContact O-N 3.16Å
367	L	98.7	Very high	98.2	Very high	5 Å²	5	31 Å²	31	3%	0.026	15%	0.154	C	C	.	.	P	Polyproline II helix	trans	-52.5	141.7	174.3	-69.8	171.8	0	0	0	110.6	W289 A359 F360 M362 G372 F373 R376	W289-L367 HydrophobicContact CE3-CD2 4.27Å; W289-L367 HydrophobicContact CZ3-CD2 3.77Å; A359-L367 WeakPolarHBondContact O-CD1 3.49Å; F360-L367 PolarHBondContact O-N 2.74Å; M362-L367 HydrophobicContact CB-CD2 3.71Å; L367-G372 WeakPolarHBondContact CD1-O 3.3Å; L367-F373 HydrophobicContact CB-CB 4.24Å; L367-F373 WeakPolarHBondContact O-CB 3.38Å; L367-F373 VanDerWaalsContact O-CD2 3.28Å; L367-F373 WeakPolarHBondContact O-CD2 3.41Å; L367-R376 HydrophobicContact CD1-CB 4.12Å; L367-R376 HydrophobicContact CD1-CG 3.81Å; L367-R376 HydrophobicContact CD2-CG 4.32Å
368	T	98.3	Very high	98.3	Very high	56 Å²	56	31 Å²	31	34%	0.344	15%	0.154	S	C	.	.	P	Polyproline II helix	trans	-78.2	163	168.3	64.7	0	0	0	0	109.9	T190 P366 D370 H371 G372 F373	T190-T368 HydrophobicContact CG2-CG2 3.54Å; P366-T368 PolarHBondContact O-N 3.16Å; T368-D370 PolarHBondContact O-N 3.13Å; T368-H371 CarbonylContact O-C 3.53Å; T368-H371 PolarHBondContact O-N 3.35Å; T368-H371 PolarHBondContact OG1-CD2 2.9Å; T368-H371 PolarHBondContact OG1-N 2.98Å; T368-G372 PolarHBondContact O-N 2.78Å; T368-F373 PolarHBondContact O-N 3.24Å; T368-F373 VanDerWaalsContact O-N 3.08Å
369	R	98.3	Very high	98.2	Very high	61 Å²	61	31.1 Å²	31.1	23%	0.23	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-56.4	-47.2	177.4	-70.8	-171.9	64.4	-146.1	-6.4	112.2	S157 P159 V201 P202 D203 H371 G372 W390	S157-R369 PolarHBondContact O-NH1 3.27Å; S157-R369 PolarHBondContact O-NH2 3.22Å; S157-R369 VanDerWaalsContact O-NH2 3.12Å; P159-R369 HydrophobicContact CB-CB 4.32Å; P159-R369 HydrophobicContact CG-CB 4.1Å; V201-R369 HydrophobicContact CG1-CB 3.82Å; V201-R369 WeakPolarHBondContact CG1-O 3.18Å; V201-R369 PolarHBondContact O-NH2 3.13Å; V201-R369 VanDerWaalsContact O-NH2 3.09Å; P202-R369 PolarHBondContact O-NE 3.16Å; P202-R369 PolarHBondContact O-NH2 3.25Å; P202-R369 VanDerWaalsContact O-NH2 3.1Å; D203-R369 IonicContact OD1-CZ 2.64Å; D203-R369 IonicContact OD1-NE 2.71Å; R369-H371 PolarHBondContact O-N 3.25Å; R369-G372 PolarHBondContact O-N 3.15Å; R369-W390 PolarHBondContact O-NE1 2.88Å
370	D	98.3	Very high	98.1	Very high	9 Å²	9	31.1 Å²	31.1	5%	0.048	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-63.1	-24.9	177.2	-90.3	-39.4	0	0	0	114.1	P159 R161 V195 N197 V201 T368 K389	P159-D370 HydrophobicContact CG-CB 4.41Å; P159-D370 WeakPolarHBondContact CG-OD2 3.43Å; R161-D370 WeakPolarHBondContact CG-OD2 3.36Å; R161-D370 IonicContact CZ-OD1 3.69Å; R161-D370 IonicContact CZ-OD2 3.93Å; R161-D370 IonicContact NE-OD1 3.82Å; R161-D370 IonicContact NE-OD2 3.77Å; R161-D370 PolarHBondContact NE-OD2 3.23Å; R161-D370 IonicContact NH2-OD1 2.77Å; R161-D370 PolarHBondContact NH2-OD1 3.36Å; R161-D370 IonicContact NH2-OD2 2.88Å; V195-D370 HydrophobicContact CG1-CB 4.05Å; V195-D370 HydrophobicContact CG2-CB 4.19Å; N197-D370 PolarHBondContact ND2-OD1 3.16Å; V201-D370 WeakPolarHBondContact CG2-OD1 3.22Å; T368-D370 PolarHBondContact O-N 3.13Å; D370-K389 WeakPolarHBondContact O-CD 3.25Å; D370-K389 PolarHBondContact O-NZ 2.87Å
371	H	98.6	Very high	97.8	Very high	8 Å²	8	30.6 Å²	30.6	4%	0.037	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-102.2	15	-177.5	-58.4	-44.9	0	0	0	113.6	T190 F193 M362 T368 R369 R376	T190-H371 PolarHBondContact O-NE2 2.92Å; F193-H371 AromaticContact CD1-CE1 3.73Å; M362-H371 HydrophobicContact SD-CB 3.94Å; T368-H371 CarbonylContact O-C 3.53Å; T368-H371 PolarHBondContact O-N 3.35Å; T368-H371 PolarHBondContact OG1-CD2 2.9Å; T368-H371 PolarHBondContact OG1-N 2.98Å; R369-H371 PolarHBondContact O-N 3.25Å; H371-R376 VanDerWaalsContact O-CD 3.27Å; H371-R376 WeakPolarHBondContact O-CD 3.39Å; H371-R376 PolarHBondContact O-NH1 3.03Å
372	G	98.6	Very high	97.7	Very high	0 Å²	0	26.9 Å²	26.9	0%	0	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.4	29.6	167.2	0	0	0	0	0	115.2	L367 T368 R369 P374 L375	L367-G372 WeakPolarHBondContact CD1-O 3.3Å; T368-G372 PolarHBondContact O-N 2.78Å; R369-G372 PolarHBondContact O-N 3.15Å; G372-P374 CarbonylContact O-C 3.5Å; G372-L375 CarbonylContact O-C 3.58Å; G372-L375 PolarHBondContact O-N 2.92Å; G372-L375 VanDerWaalsContact O-N 3.14Å
373	F	98.6	Very high	97.7	Very high	51 Å²	51	26.9 Å²	26.9	22%	0.224	14%	0.136	C	C	.	.	S	Bend	trans	-51.7	135.6	169.5	-178.9	-94.6	0	0	0	111.6	P206 L367 T368	P206-F373 HydrophobicContact CB-CZ 4.22Å; P206-F373 HydrophobicContact CG-CZ 4.37Å; L367-F373 HydrophobicContact CB-CB 4.24Å; L367-F373 WeakPolarHBondContact O-CB 3.38Å; L367-F373 VanDerWaalsContact O-CD2 3.28Å; L367-F373 WeakPolarHBondContact O-CD2 3.41Å; T368-F373 PolarHBondContact O-N 3.24Å; T368-F373 VanDerWaalsContact O-N 3.08Å
374	P	98.6	Very high	97.7	Very high	3 Å²	3	26.4 Å²	26.4	2%	0.019	14%	0.137	C	C	.	.	S	Bend	cis	-90	-22.7	0.5	33.6	-34.8	0	0	0	114.4	V204 Y209 L231 G372	V204-P374 HydrophobicContact CG1-CG 4.15Å; Y209-P374 HydrophobicContact CD1-CG 3.85Å; Y209-P374 HydrophobicContact CD2-CG 3.6Å; Y209-P374 HydrophobicContact CE1-CG 3.92Å; Y209-P374 HydrophobicContact CE2-CG 3.7Å; Y209-P374 HydrophobicContact CG-CG 3.67Å; L231-P374 HydrophobicContact CD1-CB 3.97Å; L231-P374 HydrophobicContact CD1-CG 4.47Å; L231-P374 HydrophobicContact CD2-CB 3.58Å; L231-P374 HydrophobicContact CD2-CG 4.24Å; L231-P374 HydrophobicContact CG-CB 4.41Å; G372-P374 CarbonylContact O-C 3.5Å
375	L	98.8	Very high	97.8	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	12%	0.116	C	C	.	.			trans	-128.2	143.2	-179.4	-63.9	-173.7	0	0	0	112.2	Y209 L211 L231 I234 V358 A359 F360 G372 W390 L391	Y209-L375 HydrophobicContact CE1-CD1 3.94Å; Y209-L375 HydrophobicContact CE1-CG 4.21Å; Y209-L375 WeakPolarHBondContact OH-CD1 3.41Å; L211-L375 HydrophobicContact CB-CD1 4.31Å; L211-L375 HydrophobicContact CD2-CD1 4.03Å; L231-L375 HydrophobicContact CD1-CD1 4.42Å; L231-L375 HydrophobicContact CD1-CD2 3.93Å; L231-L375 HydrophobicContact CD1-CG 4.02Å; I234-L375 HydrophobicContact CD1-CD1 3.58Å; I234-L375 HydrophobicContact CG2-CD1 4.49Å; V358-L375 HydrophobicContact CG1-CB 4.39Å; V358-L375 HydrophobicContact CG1-CD1 3.96Å; V358-L375 HydrophobicContact CG1-CD2 4.33Å; V358-L375 HydrophobicContact CG1-CG 4.48Å; A359-L375 WeakPolarHBondContact O-CA 3.38Å; F360-L375 HydrophobicContact CB-CD2 3.61Å; F360-L375 HydrophobicContact CD1-CD2 4.44Å; G372-L375 CarbonylContact O-C 3.58Å; G372-L375 PolarHBondContact O-N 2.92Å; G372-L375 VanDerWaalsContact O-N 3.14Å; L375-W390 CarbonylContact O-C 3.54Å; L375-W390 WeakPolarHBondContact O-CA 3.18Å; L375-W390 PolarHBondContact O-N 3.48Å; L375-L391 HydrophobicContact CB-CB 4.22Å; L375-L391 PolarHBondContact O-N 2.89Å
376	R	98.9	Very high	97.8	Very high	11 Å²	11	15.3 Å²	15.3	4%	0.042	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	159.9	168.5	76.2	176.6	-60.4	157.6	-1.9	111.6	V358 A359 L367 H371 I378 Q387 V388	V358-R376 CarbonylContact C-O 3.57Å; A359-R376 HydrophobicContact CB-CG 4.01Å; A359-R376 PolarHBondContact N-O 3.34Å; A359-R376 PolarHBondContact O-N 3.16Å; L367-R376 HydrophobicContact CD1-CB 4.12Å; L367-R376 HydrophobicContact CD1-CG 3.81Å; L367-R376 HydrophobicContact CD2-CG 4.32Å; H371-R376 VanDerWaalsContact O-CD 3.27Å; H371-R376 WeakPolarHBondContact O-CD 3.39Å; H371-R376 PolarHBondContact O-NH1 3.03Å; R376-I378 HydrophobicContact CG-CD1 4.1Å; R376-I378 HydrophobicContact CG-CG1 4.16Å; R376-Q387 PolarHBondContact NH2-O 2.89Å; R376-Q387 VanDerWaalsContact NH2-O 3.12Å; R376-V388 CarbonylContact C-O 3.56Å; R376-V388 WeakPolarHBondContact CA-O 3.48Å; R376-V388 WeakPolarHBondContact CB-O 3.4Å
377	I	98.8	Very high	97.9	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.059	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	133.7	166.9	-65.4	-61.3	0	0	0	109.8	F328 V356 V358 I379 Q387 V388 L391	F328-I377 HydrophobicContact CB-CG1 4.22Å; F328-I377 HydrophobicContact CD1-CD1 3.77Å; F328-I377 HydrophobicContact CD1-CG1 3.66Å; F328-I377 HydrophobicContact CD2-CG1 4.37Å; F328-I377 HydrophobicContact CD2-CG2 4.4Å; F328-I377 HydrophobicContact CE1-CD1 3.76Å; F328-I377 HydrophobicContact CE1-CG1 4.05Å; F328-I377 HydrophobicContact CE2-CG2 4.28Å; F328-I377 HydrophobicContact CG-CD1 4.43Å; F328-I377 HydrophobicContact CG-CG1 3.83Å; F328-I377 HydrophobicContact CZ-CD1 4.44Å; F328-I377 HydrophobicContact CZ-CG2 4.42Å; V356-I377 HydrophobicContact CG1-CG2 4.41Å; V358-I377 HydrophobicContact CG2-CD1 3.91Å; I377-I379 HydrophobicContact CG2-CD1 3.81Å; I377-I379 HydrophobicContact CG2-CG1 3.57Å; I377-Q387 CarbonylContact O-C 3.59Å; I377-Q387 WeakPolarHBondContact O-CA 3.34Å; I377-Q387 VanDerWaalsContact O-CB 3.31Å; I377-Q387 WeakPolarHBondContact O-CB 3.33Å; I377-V388 PolarHBondContact N-O 3.04Å; I377-L391 HydrophobicContact CD1-CD1 4.42Å; I377-L391 HydrophobicContact CD1-CD2 3.61Å; I377-L391 HydrophobicContact CG1-CD1 3.88Å; I377-L391 HydrophobicContact CG1-CD2 3.84Å; I377-L391 HydrophobicContact CG1-CG 4.41Å
378	I	98.6	Very high	97.9	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.058	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	124	168.4	-63.5	-62.3	0	0	0	108.6	I247 W289 V356 I357 A359 R376 P380	I247-I378 HydrophobicContact CD1-CD1 3.84Å; W289-I378 HydrophobicContact CB-CG1 4.07Å; W289-I378 HydrophobicContact CB-CG2 4.33Å; W289-I378 HydrophobicContact CD2-CD1 3.41Å; W289-I378 VanDerWaalsContact CD2-CD1 3.41Å; W289-I378 HydrophobicContact CD2-CG1 3.7Å; W289-I378 HydrophobicContact CE3-CD1 3.55Å; W289-I378 HydrophobicContact CE3-CG1 3.83Å; W289-I378 HydrophobicContact CG-CD1 3.95Å; W289-I378 HydrophobicContact CG-CG1 3.81Å; W289-I378 HydrophobicContact CG-CG2 4.03Å; W289-I378 HydrophobicContact CH2-CD1 4.04Å; W289-I378 HydrophobicContact CZ2-CD1 3.92Å; W289-I378 HydrophobicContact CZ3-CD1 3.87Å; V356-I378 WeakPolarHBondContact CA-O 3.49Å; I357-I378 HydrophobicContact CB-CB 4.32Å; I357-I378 PolarHBondContact N-O 3.21Å; I357-I378 PolarHBondContact O-N 2.99Å; A359-I378 HydrophobicContact CB-CG1 3.68Å; R376-I378 HydrophobicContact CG-CD1 4.1Å; R376-I378 HydrophobicContact CG-CG1 4.16Å; I378-P380 HydrophobicContact CG2-CG 4.4Å
379	I	98.2	Very high	97.9	Very high	1 Å²	1	9.3 Å²	9.3	1%	0.005	5%	0.046	C	C	.	.			trans	-123.7	93.8	179.3	-53.6	160.5	0	0	0	106.6	L344 V356 I377 G381 S382 R386 Q387	L344-I379 HydrophobicContact CD1-CD1 3.52Å; L344-I379 HydrophobicContact CD1-CG1 3.77Å; L344-I379 HydrophobicContact CD1-CG2 4.06Å; L344-I379 HydrophobicContact CD2-CD1 4.1Å; L344-I379 HydrophobicContact CD2-CG2 4.38Å; L344-I379 HydrophobicContact CG-CD1 3.83Å; V356-I379 HydrophobicContact CG1-CG1 4.14Å; V356-I379 HydrophobicContact CG2-CG2 4.34Å; I377-I379 HydrophobicContact CG2-CD1 3.81Å; I377-I379 HydrophobicContact CG2-CG1 3.57Å; I379-G381 PolarHBondContact O-N 3.42Å; I379-S382 WeakPolarHBondContact CG2-OG 3.08Å; I379-S382 WeakPolarHBondContact O-CB 3.28Å; I379-S382 PolarHBondContact O-N 2.85Å; I379-S382 VanDerWaalsContact O-N 3.11Å; I379-R386 HydrophobicContact CD1-CB 3.65Å; I379-R386 WeakPolarHBondContact CD1-O 3.3Å; I379-Q387 HydrophobicContact CB-CG 4.06Å; I379-Q387 HydrophobicContact CD1-CG 4.34Å; I379-Q387 HydrophobicContact CG1-CG 4.29Å; I379-Q387 VanDerWaalsContact N-OE1 3.08Å; I379-Q387 PolarHBondContact O-NE2 3.31Å
380	P	95.2	Very high	97.9	Very high	0 Å²	0	6.5 Å²	6.5	0%	0	4%	0.036	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.6	135.8	-177.1	-27.3	35.8	0	0	0	112.3	L243 R354 E355 I378 S382 W515	L243-P380 HydrophobicContact CD1-CG 3.93Å; L243-P380 HydrophobicContact CD2-CG 3.74Å; R354-P380 PolarHBondContact NE-O 2.8Å; R354-P380 PolarHBondContact NH2-O 3.45Å; R354-P380 WeakPolarHBondContact O-CD 3.43Å; E355-P380 WeakPolarHBondContact O-CD 3.32Å; E355-P380 WeakPolarHBondContact O-CG 3.48Å; I378-P380 HydrophobicContact CG2-CG 4.4Å; P380-S382 VanDerWaalsContact C-N 3.26Å; P380-S382 PolarHBondContact O-N 3.19Å; P380-W515 HydrophobicContact CB-CB 3.98Å; P380-W515 HydrophobicContact CB-CD2 3.28Å; P380-W515 HydrophobicContact CB-CE3 3.42Å; P380-W515 VanDerWaalsContact CB-CE3 3.42Å; P380-W515 HydrophobicContact CB-CG 3.52Å; P380-W515 HydrophobicContact CB-CH2 4.48Å; P380-W515 HydrophobicContact CB-CZ2 4.36Å; P380-W515 HydrophobicContact CB-CZ3 4.01Å; P380-W515 HydrophobicContact CG-CD2 4.42Å; P380-W515 HydrophobicContact CG-CG 4.45Å; P380-W515 WeakPolarHBondContact O-CZ3 3.21Å
381	G	92.1	Very high	97.9	Very high	0 Å²	0	6.1 Å²	6.1	0%	0	3%	0.033	C	C	.	.	T	Hydrogen-bonded Turn	trans	77.1	-0.1	-179.9	0	0	0	0	0	115.7	I379 G463 G464	I379-G381 PolarHBondContact O-N 3.42Å; G381-G463 CarbonylContact O-C 3.57Å; G381-G463 WeakPolarHBondContact O-CA 3.33Å; G381-G464 PolarHBondContact O-N 3.07Å; G381-G464 VanDerWaalsContact O-N 3.15Å
382	S	96.9	Very high	97.9	Very high	0 Å²	0	6.2 Å²	6.2	0%	0	4%	0.036	C	C	.	.	B	Isolated β-bridge	trans	-102.4	157.8	178.9	-63.5	0	0	0	0	113.7	R354 I379 P380 Q387 L431	R354-S382 PolarHBondContact NH2-OG 3.12Å; I379-S382 WeakPolarHBondContact CG2-OG 3.08Å; I379-S382 WeakPolarHBondContact O-CB 3.28Å; I379-S382 PolarHBondContact O-N 2.85Å; I379-S382 VanDerWaalsContact O-N 3.11Å; P380-S382 VanDerWaalsContact C-N 3.26Å; P380-S382 PolarHBondContact O-N 3.19Å; S382-Q387 PolarHBondContact O-NE2 2.76Å; S382-L431 CarbonylContact C-O 3.39Å; S382-L431 WeakPolarHBondContact CA-O 3.46Å; S382-L431 WeakPolarHBondContact CB-O 3.27Å; S382-L431 WeakPolarHBondContact OG-CD1 3.33Å; S382-L431 WeakPolarHBondContact OG-CG 3.45Å
383	I	98.1	Very high	97.9	Very high	0 Å²	0	9.3 Å²	9.3	0%	0	5%	0.051	C	C	.	.	B	Isolated β-bridge	trans	-59.7	148.2	173.8	67.3	165.5	0	0	0	111.4	V248 A250 A385 R386 Y410 I430 L431 Y433 L561	V248-I383 CarbonylContact O-C 3.55Å; V248-I383 WeakPolarHBondContact O-CA 3.42Å; A250-I383 HydrophobicContact CB-CB 4.17Å; A250-I383 HydrophobicContact CB-CD1 3.75Å; A250-I383 HydrophobicContact CB-CG2 4.12Å; I383-A385 HydrophobicContact CD1-CB 3.87Å; I383-A385 HydrophobicContact CG1-CB 4.26Å; I383-A385 PolarHBondContact O-N 2.74Å; I383-A385 VanDerWaalsContact O-N 3.09Å; I383-R386 HydrophobicContact CG1-CG 3.93Å; I383-R386 PolarHBondContact O-N 3.09Å; I383-R386 VanDerWaalsContact O-N 3.15Å; I383-Y410 HydrophobicContact CD1-CD1 4.21Å; I383-Y410 HydrophobicContact CD1-CG 4.36Å; I383-I430 HydrophobicContact CD1-CB 3.86Å; I383-I430 HydrophobicContact CD1-CG2 3.76Å; I383-I430 VanDerWaalsContact CD1-O 3.3Å; I383-I430 WeakPolarHBondContact CD1-O 3.35Å; I383-I430 HydrophobicContact CG1-CG2 4.31Å; I383-I430 HydrophobicContact CG2-CG2 3.75Å; I383-L431 PolarHBondContact N-O 3.12Å; I383-Y433 HydrophobicContact CG2-CD2 3.95Å; I383-L561 HydrophobicContact CG2-CD2 4.36Å
384	G	97.7	Very high	97.9	Very high	19 Å²	19	6.9 Å²	6.9	20%	0.196	4%	0.04	C	C	.	.	G	3₁₀ helix	trans	-59.1	-25	-177.7	0	0	0	0	0	114.5	V248 R386 Q387	V248-G384 PolarHBondContact O-N 2.79Å; G384-R386 PolarHBondContact O-N 3.42Å; G384-Q387 PolarHBondContact O-N 2.92Å
385	A	97.4	Very high	97.9	Very high	7 Å²	7	7.8 Å²	7.8	6%	0.058	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-64.1	-21	179	0	0	0	0	0	114	F340 I383 Y410	F340-A385 WeakPolarHBondContact CZ-O 3.34Å; I383-A385 HydrophobicContact CD1-CB 3.87Å; I383-A385 HydrophobicContact CG1-CB 4.26Å; I383-A385 PolarHBondContact O-N 2.74Å; I383-A385 VanDerWaalsContact O-N 3.09Å; A385-Y410 HydrophobicContact CB-CD1 3.79Å; A385-Y410 HydrophobicContact CB-CD2 3.54Å; A385-Y410 HydrophobicContact CB-CE1 3.75Å; A385-Y410 HydrophobicContact CB-CE2 3.51Å; A385-Y410 HydrophobicContact CB-CG 3.68Å
386	R	97.9	Very high	97.9	Very high	3 Å²	3	7.8 Å²	7.8	1%	0.011	5%	0.046	C	C	.	.	G	3₁₀ helix	trans	-88.4	-14	176.1	-48.5	-51.5	169.9	-154.2	-3.1	112.5	S342 I379 I383 G384 V388 W405 Y410 I430 L431	S342-R386 WeakPolarHBondContact OG-CD 3.23Å; S342-R386 PolarHBondContact OG-NH1 3.37Å; I379-R386 HydrophobicContact CD1-CB 3.65Å; I379-R386 WeakPolarHBondContact CD1-O 3.3Å; I383-R386 HydrophobicContact CG1-CG 3.93Å; I383-R386 PolarHBondContact O-N 3.09Å; I383-R386 VanDerWaalsContact O-N 3.15Å; G384-R386 PolarHBondContact O-N 3.42Å; R386-V388 PolarHBondContact O-N 3.36Å; R386-W405 PolarHBondContact NH1-O 3.1Å; R386-Y410 PolarHBondContact NH2-O 3.33Å; R386-I430 PolarHBondContact NE-O 2.85Å; R386-I430 PolarHBondContact NH2-O 3.41Å; R386-I430 VanDerWaalsContact NH2-O 3.09Å; R386-L431 HydrophobicContact CG-CD1 4.12Å
387	Q	98.4	Very high	97.9	Very high	2 Å²	2	7.8 Å²	7.8	1%	0.009	5%	0.048	C	C	.	.	S	Bend	trans	-97.2	64.9	-171.5	-59.6	-166	63	0	0	110.4	R376 I377 I379 S382 G384 K389	R376-Q387 PolarHBondContact NH2-O 2.89Å; R376-Q387 VanDerWaalsContact NH2-O 3.12Å; I377-Q387 CarbonylContact O-C 3.59Å; I377-Q387 WeakPolarHBondContact O-CA 3.34Å; I377-Q387 VanDerWaalsContact O-CB 3.31Å; I377-Q387 WeakPolarHBondContact O-CB 3.33Å; I379-Q387 HydrophobicContact CB-CG 4.06Å; I379-Q387 HydrophobicContact CD1-CG 4.34Å; I379-Q387 HydrophobicContact CG1-CG 4.29Å; I379-Q387 VanDerWaalsContact N-OE1 3.08Å; I379-Q387 PolarHBondContact O-NE2 3.31Å; S382-Q387 PolarHBondContact O-NE2 2.76Å; G384-Q387 PolarHBondContact O-N 2.92Å; Q387-K389 PolarHBondContact O-N 3.39Å
388	V	98.7	Very high	97.8	Very high	0 Å²	0	10.5 Å²	10.5	0%	0	6%	0.064	C	C	.	.			trans	-51.7	130.2	-173	176	0	0	0	0	111.4	F328 F340 R376 I377 R386 L391	F328-V388 HydrophobicContact CB-CB 3.99Å; F328-V388 HydrophobicContact CB-CG1 4.44Å; F328-V388 HydrophobicContact CB-CG2 3.76Å; F340-V388 HydrophobicContact CD1-CG1 4.37Å; F340-V388 HydrophobicContact CD1-CG2 4.2Å; F340-V388 HydrophobicContact CE1-CG2 4.02Å; R376-V388 CarbonylContact C-O 3.56Å; R376-V388 WeakPolarHBondContact CA-O 3.48Å; R376-V388 WeakPolarHBondContact CB-O 3.4Å; I377-V388 PolarHBondContact N-O 3.04Å; R386-V388 PolarHBondContact O-N 3.36Å; V388-L391 HydrophobicContact CG1-CD1 4.36Å
389	K	98.9	Very high	97.7	Very high	20 Å²	20	14.9 Å²	14.9	9%	0.087	9%	0.088	C	C	.	.	S	Bend	trans	-96.3	161	178	-65.2	-173.3	-54.8	178	0	109.8	R196 N197 D370 Q387 L391	R196-K389 PolarHBondContact O-NZ 3.31Å; N197-K389 PolarHBondContact OD1-NZ 2.77Å; D370-K389 WeakPolarHBondContact O-CD 3.25Å; D370-K389 PolarHBondContact O-NZ 2.87Å; Q387-K389 PolarHBondContact O-N 3.39Å; K389-L391 PolarHBondContact O-N 3.31Å
390	W	98.7	Very high	97.6	Very high	3 Å²	3	17 Å²	17	1%	0.011	10%	0.098	C	C	.	.	S	Bend	trans	52.7	45.2	178.7	-41.8	-76.6	0	0	0	110.7	V201 P202 G330 L331 D332 R369 L375 G392	V201-W390 HydrophobicContact CB-CZ2 4.28Å; V201-W390 HydrophobicContact CG1-CZ2 3.93Å; V201-W390 HydrophobicContact CG2-CZ2 4.02Å; P202-W390 HydrophobicContact CB-CG 4.47Å; P202-W390 HydrophobicContact CG-CB 4.06Å; P202-W390 HydrophobicContact CG-CD2 4.04Å; P202-W390 HydrophobicContact CG-CE3 4.44Å; P202-W390 HydrophobicContact CG-CG 3.85Å; G330-W390 CarbonylContact C-O 3.49Å; G330-W390 WeakPolarHBondContact CA-O 3.46Å; L331-W390 HydrophobicContact CB-CB 4.1Å; L331-W390 VanDerWaalsContact CG-O 3.27Å; L331-W390 WeakPolarHBondContact CG-O 3.47Å; L331-W390 PolarHBondContact N-O 3.09Å; D332-W390 HydrophobicContact CB-CE3 3.85Å; D332-W390 HydrophobicContact CB-CZ3 3.91Å; D332-W390 VanDerWaalsContact CG-CE3 3.46Å; D332-W390 VanDerWaalsContact CG-CZ3 3.47Å; D332-W390 WeakPolarHBondContact OD2-CZ3 3.23Å; R369-W390 PolarHBondContact O-NE1 2.88Å; L375-W390 CarbonylContact O-C 3.54Å; L375-W390 WeakPolarHBondContact O-CA 3.18Å; L375-W390 PolarHBondContact O-N 3.48Å; W390-G392 PolarHBondContact O-N 2.94Å; W390-G392 VanDerWaalsContact O-N 3.11Å
391	L	98.8	Very high	97.6	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-56.5	117.6	-170.1	-177.9	67.4	0	0	0	110	Y209 L211 F328 V358 L375 I377 V388 K389 I394	Y209-L391 WeakPolarHBondContact CE2-O 3.19Å; Y209-L391 PolarHBondContact OH-O 3.11Å; L211-L391 HydrophobicContact CD1-CD2 3.71Å; L211-L391 HydrophobicContact CD1-CG 3.68Å; F328-L391 HydrophobicContact CB-CD1 3.91Å; F328-L391 HydrophobicContact CD1-CD1 4.42Å; V358-L391 HydrophobicContact CG1-CD2 4Å; L375-L391 HydrophobicContact CB-CB 4.22Å; L375-L391 PolarHBondContact O-N 2.89Å; I377-L391 HydrophobicContact CD1-CD1 4.42Å; I377-L391 HydrophobicContact CD1-CD2 3.61Å; I377-L391 HydrophobicContact CG1-CD1 3.88Å; I377-L391 HydrophobicContact CG1-CD2 3.84Å; I377-L391 HydrophobicContact CG1-CG 4.41Å; V388-L391 HydrophobicContact CG1-CD1 4.36Å; K389-L391 PolarHBondContact O-N 3.31Å; L391-I394 HydrophobicContact CD1-CG1 4.34Å; L391-I394 HydrophobicContact CD2-CD1 4.04Å; L391-I394 HydrophobicContact CD2-CG1 4.05Å; L391-I394 HydrophobicContact CG-CG1 4.47Å
392	G	98.4	Very high	97.6	Very high	10 Å²	10	22.6 Å²	22.6	10%	0.103	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	-37.4	177	0	0	0	0	0	112.4	E212 D329 W390	E212-G392 PolarHBondContact N-O 3.03Å; D329-G392 PolarHBondContact O-N 2.88Å; W390-G392 PolarHBondContact O-N 2.94Å; W390-G392 VanDerWaalsContact O-N 3.11Å
393	Q	98.4	Very high	97.4	Very high	65 Å²	65	23.3 Å²	23.3	30%	0.304	13%	0.129	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	141.2	-172.2	-170.3	171.5	8.7	0	0	112.9	E212 D214 F328 D329	E212-Q393 HydrophobicContact CB-CB 4.46Å; E212-Q393 HydrophobicContact CB-CG 4.23Å; E212-Q393 CarbonylContact O-C 3.54Å; E212-Q393 VanDerWaalsContact O-CA 3.31Å; E212-Q393 WeakPolarHBondContact O-CA 3.36Å; D214-Q393 PolarHBondContact OD2-NE2 3.15Å; F328-Q393 WeakPolarHBondContact CA-O 3.34Å; D329-Q393 HydrophobicContact CB-CB 4.38Å; D329-Q393 PolarHBondContact N-O 3.36Å; D329-Q393 PolarHBondContact O-N 2.78Å; D329-Q393 VanDerWaalsContact O-N 3.16Å
394	I	98.7	Very high	96.9	Very high	0 Å²	0	25.2 Å²	25.2	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	118.2	167.5	-56.3	178.4	0	0	0	108.5	L211 E212 I213 D214 L294 L297 I326 R327 F328 V358 L391	L211-I394 HydrophobicContact CD1-CD1 4.39Å; L211-I394 HydrophobicContact CD1-CG1 4.18Å; L211-I394 HydrophobicContact CD2-CD1 4.14Å; E212-I394 PolarHBondContact O-N 3.48Å; I213-I394 VanDerWaalsContact CA-O 3.28Å; I213-I394 WeakPolarHBondContact CA-O 3.27Å; I213-I394 HydrophobicContact CG1-CB 4.28Å; I213-I394 HydrophobicContact CG2-CB 4.37Å; D214-I394 PolarHBondContact N-O 2.76Å; L294-I394 HydrophobicContact CD1-CD1 4Å; L297-I394 HydrophobicContact CD2-CD1 4.38Å; I326-I394 HydrophobicContact CG2-CG2 3.51Å; R327-I394 WeakPolarHBondContact O-CA 3.34Å; F328-I394 HydrophobicContact CD1-CG1 4.2Å; F328-I394 HydrophobicContact CD1-CG2 4.37Å; F328-I394 HydrophobicContact CE1-CG2 4.31Å; V358-I394 HydrophobicContact CG2-CD1 4.32Å; L391-I394 HydrophobicContact CD1-CG1 4.34Å; L391-I394 HydrophobicContact CD2-CD1 4.04Å; L391-I394 HydrophobicContact CD2-CG1 4.05Å; L391-I394 HydrophobicContact CG-CG1 4.47Å
395	T	98.7	Very high	96.7	Very high	22 Å²	22	24.9 Å²	24.9	14%	0.135	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	124.6	179	-58.1	0	0	0	0	111.2	D214 R327 S397	D214-T395 WeakPolarHBondContact O-CA 3.36Å; D214-T395 WeakPolarHBondContact OD1-CA 3.31Å; D214-T395 WeakPolarHBondContact OD1-CB 3.36Å; D214-T395 VanDerWaalsContact OD1-CG2 3.24Å; D214-T395 WeakPolarHBondContact OD1-CG2 3.42Å; D214-T395 PolarHBondContact OD1-OG1 2.87Å; R327-T395 PolarHBondContact N-O 3.05Å; R327-T395 PolarHBondContact O-N 3.14Å; T395-S397 PolarHBondContact O-N 2.86Å
396	L	98.7	Very high	96.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	107.2	172.9	-63.5	75.5	0	0	0	107.8	I213 D214 S215 I218 L225 L298 L302 L318 V323 I326	I213-L396 HydrophobicContact CG2-CD1 3.68Å; D214-L396 WeakPolarHBondContact O-CD1 3.43Å; D214-L396 PolarHBondContact O-N 3.23Å; S215-L396 WeakPolarHBondContact CB-O 3.48Å; S215-L396 PolarHBondContact OG-O 3.41Å; I218-L396 HydrophobicContact CG1-CD2 4.43Å; L225-L396 HydrophobicContact CD2-CD1 4.02Å; L225-L396 HydrophobicContact CD2-CD2 4.29Å; L298-L396 HydrophobicContact CD2-CD1 4.07Å; L298-L396 HydrophobicContact CD2-CD2 4.29Å; L302-L396 HydrophobicContact CD1-CD2 3.81Å; L318-L396 HydrophobicContact CD1-CD2 4.07Å; L318-L396 HydrophobicContact CD2-CD2 3.5Å; L318-L396 VanDerWaalsContact CD2-CD2 3.5Å; L318-L396 HydrophobicContact CG-CD2 4.46Å; V323-L396 HydrophobicContact CG1-CB 4.05Å; V323-L396 HydrophobicContact CG2-CB 4.16Å; I326-L396 HydrophobicContact CD1-CB 4.37Å; I326-L396 HydrophobicContact CD1-CG 3.88Å
397	S	98.2	Very high	96.1	Very high	12 Å²	12	27.7 Å²	27.7	8%	0.084	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	155.8	-163.7	-169	0	0	0	0	114	V323 R324 H325 R327 T395 D399	V323-S397 CarbonylContact C-O 3.49Å; V323-S397 WeakPolarHBondContact CA-O 3.47Å; R324-S397 PolarHBondContact N-O 2.88Å; H325-S397 PolarHBondContact N-O 3.26Å; H325-S397 PolarHBondContact O-N 2.88Å; H325-S397 VanDerWaalsContact O-O 3.12Å; R327-S397 VanDerWaalsContact NE-CB 3.29Å; R327-S397 PolarHBondContact NE-OG 2.62Å; R327-S397 VanDerWaalsContact NE-OG 3.07Å; R327-S397 PolarHBondContact NH2-OG 2.83Å; R327-S397 VanDerWaalsContact NH2-OG 3.09Å; T395-S397 PolarHBondContact O-N 2.86Å; S397-D399 VanDerWaalsContact C-N 3.31Å; S397-D399 WeakPolarHBondContact CB-O 3.28Å; S397-D399 PolarHBondContact OG-N 3.46Å; S397-D399 PolarHBondContact OG-O 2.9Å
398	T	97.9	Very high	95.5	Very high	57 Å²	57	28.6 Å²	28.6	35%	0.35	15%	0.151	S	C	.	.	S	Bend	trans	-70.4	-24.8	170.6	46.3	0	0	0	0	113.1	V217 G322 R324	V217-T398 HydrophobicContact CG1-CG2 3.94Å; G322-T398 WeakPolarHBondContact O-CG2 3.47Å; R324-T398 WeakPolarHBondContact CB-O 3.38Å
399	D	95.8	Very high	95	Very high	91 Å²	91	29 Å²	29	49%	0.487	15%	0.153	S	C	.	.	S	Bend	trans	-133.1	161.9	-172.2	-49.5	-87.3	0	0	0	111.2	H325 R327 S397	H325-D399 WeakPolarHBondContact CB-O 3.22Å; R327-D399 PolarHBondContact NE-O 3.11Å; R327-D399 PolarHBondContact NH2-O 2.73Å; S397-D399 VanDerWaalsContact C-N 3.31Å; S397-D399 WeakPolarHBondContact CB-O 3.28Å; S397-D399 PolarHBondContact OG-N 3.46Å; S397-D399 PolarHBondContact OG-O 2.9Å
400	E	96	Very high	94.7	Very high	47 Å²	47	28.4 Å²	28.4	22%	0.22	15%	0.151	C	C	.	.			trans	-60.2	165.5	173.7	67.1	172.6	-179.4	0	0	112.9	R327 S343 E402 Q406	R327-E400 PolarHBondContact NE-O 3.21Å; R327-E400 VanDerWaalsContact NE-O 3.16Å; R327-E400 PolarHBondContact NH2-O 3.42Å; S343-E400 WeakPolarHBondContact OG-CA 3.23Å; S343-E400 WeakPolarHBondContact OG-CB 3.33Å; E400-E402 PolarHBondContact O-N 2.85Å; E400-Q406 HydrophobicContact CB-CG 4.24Å; E400-Q406 HydrophobicContact CG-CG 4.28Å; E400-Q406 PolarHBondContact OE2-NE2 2.78Å
401	S	95.9	Very high	94.5	Very high	3 Å²	3	28.4 Å²	28.4	2%	0.021	15%	0.151	C	C	.	.			trans	-57.3	138.8	177.1	175.5	0	0	0	0	111.5	S342 S343 S403 Q406 K407	S342-S401 WeakPolarHBondContact O-CB 3.23Å; S343-S401 PolarHBondContact OG-N 3.14Å; S343-S401 VanDerWaalsContact OG-N 3.07Å; S401-S403 PolarHBondContact O-N 3.26Å; S401-S403 VanDerWaalsContact OG-CB 3.22Å; S401-S403 WeakPolarHBondContact OG-CB 3.45Å; S401-S403 PolarHBondContact OG-N 2.93Å; S401-Q406 WeakPolarHBondContact O-CG 3.44Å; S401-K407 WeakPolarHBondContact O-CE 3.33Å
402	E	92.3	Very high	94.1	Very high	113 Å²	113	32 Å²	32	53%	0.528	17%	0.165	S	C	.	.			trans	-75.6	-9.3	175.8	-62.4	-56.1	130.2	0	0	112.9	R327 E400 F404 K407	R327-E402 IonicContact NH2-OE1 2.92Å; E400-E402 PolarHBondContact O-N 2.85Å; E402-F404 PolarHBondContact O-N 3Å; E402-K407 IonicContact OE1-NZ 3.49Å; E402-K407 PolarHBondContact OE1-NZ 3.25Å; E402-K407 IonicContact OE2-NZ 2.77Å; E402-K407 PolarHBondContact OE2-NZ 3.14Å
403	S	92	Very high	93.6	Very high	15 Å²	15	31.8 Å²	31.8	11%	0.105	16%	0.161	C	C	.	.	S	Bend	trans	-49.6	137.1	177.2	161.4	0	0	0	0	112.5	G341 S401 W405 Q406 K407	G341-S403 PolarHBondContact N-OG 3.49Å; G341-S403 WeakPolarHBondContact O-CB 3.47Å; G341-S403 PolarHBondContact O-OG 2.99Å; S401-S403 PolarHBondContact O-N 3.26Å; S401-S403 VanDerWaalsContact OG-CB 3.22Å; S401-S403 WeakPolarHBondContact OG-CB 3.45Å; S401-S403 PolarHBondContact OG-N 2.93Å; S403-W405 PolarHBondContact O-N 3.1Å; S403-W405 VanDerWaalsContact OG-CE3 3.31Å; S403-W405 PolarHBondContact OG-N 3.44Å; S403-W405 VanDerWaalsContact OG-N 3.11Å; S403-Q406 WeakPolarHBondContact O-CB 3.36Å; S403-Q406 PolarHBondContact O-N 2.99Å; S403-K407 PolarHBondContact O-N 3.08Å
404	F	88.4	Confident	93	Very high	41 Å²	41	32.3 Å²	32.3	18%	0.18	17%	0.166	C	C	.	.	H	α-helix	trans	-52.2	-38.5	171.6	171.6	-99.1	0	0	0	111.9	P100 G101 E402 Q406 K407 G408 D409	P100-F404 VanDerWaalsContact O-CZ 3.27Å; P100-F404 WeakPolarHBondContact O-CZ 3.34Å; G101-F404 VanDerWaalsContact CA-CZ 3.45Å; G101-F404 WeakPolarHBondContact O-CD2 3.49Å; G101-F404 WeakPolarHBondContact O-CE2 3.26Å; E402-F404 PolarHBondContact O-N 3Å; F404-Q406 PolarHBondContact O-N 3.31Å; F404-K407 PolarHBondContact O-N 3.38Å; F404-G408 CarbonylContact O-C 3.51Å; F404-G408 VanDerWaalsContact O-CA 3.28Å; F404-G408 WeakPolarHBondContact O-CA 3.25Å; F404-G408 PolarHBondContact O-N 3.32Å; F404-D409 HydrophobicContact CE1-CB 3.87Å; F404-D409 HydrophobicContact CZ-CB 4.13Å; F404-D409 PolarHBondContact O-N 3.37Å
405	W	91.7	Very high	92.1	Very high	12 Å²	12	33.8 Å²	33.8	5%	0.045	18%	0.176	C	C	.	.	H	α-helix	trans	-73	-12.8	-179.6	-57.2	-73.4	0	0	0	113.5	H198 L199 A339 F340 R386 S403 Y410	H198-W405 HydrophobicContact CB-CZ2 4.06Å; H198-W405 AromaticContact CD2-CD1 3.65Å; H198-W405 AromaticContact CD2-CE2 3.88Å; H198-W405 AromaticContact CD2-NE1 3.12Å; H198-W405 PolarHBondContact CD2-NE1 3.03Å; H198-W405 AromaticContact CG-NE1 3.79Å; H198-W405 AromaticContact NE2-CD1 3.51Å; H198-W405 AromaticContact NE2-NE1 3.53Å; L199-W405 HydrophobicContact CD1-CH2 3.99Å; A339-W405 VanDerWaalsContact O-CZ3 3.31Å; A339-W405 WeakPolarHBondContact O-CZ3 3.3Å; F340-W405 HydrophobicContact CB-CE3 4.21Å; F340-W405 HydrophobicContact CB-CH2 4.47Å; F340-W405 HydrophobicContact CB-CZ3 4.06Å; F340-W405 HydrophobicContact CD2-CB 4.29Å; F340-W405 AromaticContact CD2-CD2 3.37Å; F340-W405 HydrophobicContact CD2-CD2 3.37Å; F340-W405 AromaticContact CD2-CE2 3.79Å; F340-W405 AromaticContact CD2-CE3 3.51Å; F340-W405 HydrophobicContact CD2-CE3 3.51Å; F340-W405 AromaticContact CD2-CG 3.75Å; F340-W405 HydrophobicContact CD2-CG 3.75Å; F340-W405 HydrophobicContact CD2-CH2 4.36Å; F340-W405 HydrophobicContact CD2-CZ2 4.24Å; F340-W405 HydrophobicContact CD2-CZ3 4.06Å; F340-W405 HydrophobicContact CE2-CB 3.71Å; F340-W405 AromaticContact CE2-CD1 3.94Å; F340-W405 AromaticContact CE2-CD2 3.66Å; F340-W405 HydrophobicContact CE2-CD2 3.66Å; F340-W405 HydrophobicContact CE2-CE3 4.16Å; F340-W405 AromaticContact CE2-CG 3.46Å; F340-W405 HydrophobicContact CE2-CG 3.46Å; F340-W405 VanDerWaalsContact CE2-CG 3.46Å; F340-W405 HydrophobicContact CG-CD2 4.42Å; F340-W405 HydrophobicContact CG-CE3 4.15Å; F340-W405 HydrophobicContact CG-CZ3 4.48Å; F340-W405 HydrophobicContact CZ-CB 4.34Å; R386-W405 PolarHBondContact NH1-O 3.1Å; S403-W405 PolarHBondContact O-N 3.1Å; S403-W405 VanDerWaalsContact OG-CE3 3.31Å; S403-W405 PolarHBondContact OG-N 3.44Å; S403-W405 VanDerWaalsContact OG-N 3.11Å; W405-Y410 HydrophobicContact CB-CD2 4.31Å; W405-Y410 HydrophobicContact CB-CE2 4.17Å; W405-Y410 WeakPolarHBondContact O-CD2 3.47Å
406	Q	93.7	Very high	91.2	Very high	5 Å²	5	37.9 Å²	37.9	2%	0.023	19%	0.194	C	C	.	.	H	α-helix	trans	-91.1	-50	169.9	-176.5	69.5	25.7	0	0	111.2	S342 S343 E400 S401 S403 F404	S342-Q406 PolarHBondContact OG-OE1 2.93Å; S343-Q406 PolarHBondContact OG-NE2 3.01Å; E400-Q406 HydrophobicContact CB-CG 4.24Å; E400-Q406 HydrophobicContact CG-CG 4.28Å; E400-Q406 PolarHBondContact OE2-NE2 2.78Å; S401-Q406 WeakPolarHBondContact O-CG 3.44Å; S403-Q406 WeakPolarHBondContact O-CB 3.36Å; S403-Q406 PolarHBondContact O-N 2.99Å; F404-Q406 PolarHBondContact O-N 3.31Å
407	K	90.5	Very high	90.1	Very high	63 Å²	63	43.9 Å²	43.9	27%	0.274	24%	0.237	S	C	.	.	H	α-helix	trans	-91.5	-36	-170	-67.9	-167.3	173	-176.8	0	114.7	S401 E402 S403 F404 K411	S401-K407 WeakPolarHBondContact O-CE 3.33Å; E402-K407 IonicContact OE1-NZ 3.49Å; E402-K407 PolarHBondContact OE1-NZ 3.25Å; E402-K407 IonicContact OE2-NZ 2.77Å; E402-K407 PolarHBondContact OE2-NZ 3.14Å; S403-K407 PolarHBondContact O-N 3.08Å; F404-K407 PolarHBondContact O-N 3.38Å; K407-K411 VanDerWaalsContact O-CE 3.22Å; K407-K411 WeakPolarHBondContact O-CE 3.39Å; K407-K411 PolarHBondContact O-NZ 3.41Å
408	G	84.4	Confident	88.9	Confident	21 Å²	21	47 Å²	47	22%	0.216	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	-15.1	-171.2	0	0	0	0	0	115.5	F404 L424	F404-G408 CarbonylContact O-C 3.51Å; F404-G408 VanDerWaalsContact O-CA 3.28Å; F404-G408 WeakPolarHBondContact O-CA 3.25Å; F404-G408 PolarHBondContact O-N 3.32Å; G408-L424 WeakPolarHBondContact O-CD1 3.28Å
409	D	88.5	Confident	87.5	Confident	8 Å²	8	46.1 Å²	46.1	4%	0.043	27%	0.272	C	S	.	.	S	Bend	trans	-131	177.4	175.1	-154.4	-5	0	0	0	111.6	F404 K411 R558	F404-D409 HydrophobicContact CE1-CB 3.87Å; F404-D409 HydrophobicContact CZ-CB 4.13Å; F404-D409 PolarHBondContact O-N 3.37Å; D409-K411 VanDerWaalsContact C-N 3.28Å; D409-K411 PolarHBondContact O-N 2.86Å; D409-R558 IonicContact OD1-CZ 3.83Å; D409-R558 IonicContact OD1-NE 2.62Å; D409-R558 PolarHBondContact OD1-NE 3.31Å; D409-R558 IonicContact OD1-NH2 3.53Å; D409-R558 PolarHBondContact OD1-NH2 2.85Å; D409-R558 IonicContact OD2-CZ 3.22Å; D409-R558 IonicContact OD2-NE 3.1Å; D409-R558 IonicContact OD2-NH2 2.88Å; D409-R558 PolarHBondContact OD2-NH2 2.92Å
410	Y	93.9	Very high	86.2	Confident	9 Å²	9	49.6 Å²	49.6	4%	0.035	28%	0.283	C	S	.	.	S	Bend	trans	55	44.4	179.7	-57.6	-70.2	0	0	0	112.7	R196 H198 A250 I383 A385 R386 W405 I430 L560	R196-Y410 PolarHBondContact NE-OH 2.81Å; H198-Y410 PolarHBondContact CE1-OH 2.85Å; H198-Y410 AromaticContact NE2-CE2 3.92Å; H198-Y410 AromaticContact NE2-CZ 3.79Å; H198-Y410 PolarHBondContact NE2-OH 2.6Å; A250-Y410 HydrophobicContact CB-CD1 3.74Å; A250-Y410 HydrophobicContact CB-CE1 4.12Å; I383-Y410 HydrophobicContact CD1-CD1 4.21Å; I383-Y410 HydrophobicContact CD1-CG 4.36Å; A385-Y410 HydrophobicContact CB-CD1 3.79Å; A385-Y410 HydrophobicContact CB-CD2 3.54Å; A385-Y410 HydrophobicContact CB-CE1 3.75Å; A385-Y410 HydrophobicContact CB-CE2 3.51Å; A385-Y410 HydrophobicContact CB-CG 3.68Å; R386-Y410 PolarHBondContact NH2-O 3.33Å; W405-Y410 HydrophobicContact CB-CD2 4.31Å; W405-Y410 HydrophobicContact CB-CE2 4.17Å; W405-Y410 WeakPolarHBondContact O-CD2 3.47Å; Y410-I430 WeakPolarHBondContact O-CB 3.27Å; Y410-I430 VanDerWaalsContact O-CG1 3.24Å; Y410-I430 WeakPolarHBondContact O-CG1 3.5Å; Y410-I430 PolarHBondContact O-N 3.48Å; Y410-L560 HydrophobicContact CD1-CD2 4.35Å
411	K	92.6	Very high	85	Confident	3 Å²	3	50.7 Å²	50.7	1%	0.013	29%	0.293	C	S	.	.			trans	-124.4	147.5	173.1	-71	175.2	171.1	-169.5	0	109.1	K407 D409 L424 L427	K407-K411 VanDerWaalsContact O-CE 3.22Å; K407-K411 WeakPolarHBondContact O-CE 3.39Å; K407-K411 PolarHBondContact O-NZ 3.41Å; D409-K411 VanDerWaalsContact C-N 3.28Å; D409-K411 PolarHBondContact O-N 2.86Å; K411-L424 HydrophobicContact CB-CD2 3.77Å; K411-L424 HydrophobicContact CD-CB 4.11Å; K411-L424 HydrophobicContact CD-CD2 4.24Å; K411-L424 WeakPolarHBondContact CD-O 3.48Å; K411-L424 PolarHBondContact NZ-O 3.39Å; K411-L427 HydrophobicContact CD-CB 4.15Å; K411-L427 WeakPolarHBondContact CE-O 3.18Å; K411-L427 PolarHBondContact NZ-O 3.18Å
412	Y	90.7	Very high	84	Confident	76 Å²	76	52.8 Å²	52.8	30%	0.298	31%	0.307	S	S	.	.			trans	-96.5	110.2	-175.2	-172.7	-91.5	0	0	0	110.3	L414 T554 N556 L561	Y412-L414 HydrophobicContact CE1-CD2 3.64Å; Y412-L414 HydrophobicContact CE1-CG 3.93Å; Y412-T554 WeakPolarHBondContact OH-CA 3.16Å; Y412-T554 WeakPolarHBondContact OH-CB 3.46Å; Y412-T554 PolarHBondContact OH-O 3.36Å; Y412-N556 HydrophobicContact CD2-CB 4.18Å; Y412-N556 HydrophobicContact CE2-CB 4.01Å; Y412-N556 WeakPolarHBondContact CE2-ND2 3.47Å; Y412-L561 HydrophobicContact CD2-CB 4.46Å; Y412-L561 HydrophobicContact CD2-CD1 3.98Å; Y412-L561 HydrophobicContact CD2-CG 4.49Å
413	V	88	Confident	83.3	Confident	4 Å²	4	53 Å²	53	2%	0.024	31%	0.311	C	S	.	.			trans	-131.1	115.9	-175.7	177.4	0	0	0	0	111	V421 P422 L424 L427 N556 I557	V413-V421 HydrophobicContact CG1-CG1 4.12Å; V413-P422 HydrophobicContact CG1-CB 4.25Å; V413-P422 HydrophobicContact CG1-CG 3.95Å; V413-L424 HydrophobicContact CB-CD2 4.46Å; V413-L424 HydrophobicContact CG2-CD2 3.41Å; V413-L424 VanDerWaalsContact CG2-CD2 3.41Å; V413-L424 HydrophobicContact CG2-CG 4.47Å; V413-L427 HydrophobicContact CG2-CD1 3.31Å; V413-N556 CarbonylContact O-C 3.5Å; V413-N556 WeakPolarHBondContact O-CA 3.37Å; V413-N556 WeakPolarHBondContact O-CB 3.32Å; V413-I557 HydrophobicContact CB-CD1 4.17Å; V413-I557 HydrophobicContact CB-CG1 3.89Å; V413-I557 HydrophobicContact CG1-CD1 4.18Å; V413-I557 HydrophobicContact CG1-CG1 4.12Å; V413-I557 PolarHBondContact O-N 3.25Å
414	L	87.3	Confident	82.7	Confident	76 Å²	76	54.1 Å²	54.1	40%	0.398	32%	0.316	S	S	.	.	P	Polyproline II helix	trans	-78.8	144.6	173.9	-59.4	177	0	0	0	110.1	Y412 M416 L555 N556	Y412-L414 HydrophobicContact CE1-CD2 3.64Å; Y412-L414 HydrophobicContact CE1-CG 3.93Å; L414-M416 PolarHBondContact O-N 3.22Å; L414-L555 WeakPolarHBondContact CD2-O 3.38Å; L414-N556 HydrophobicContact CD2-CB 4.41Å
415	P	79.4	Confident	82	Confident	32 Å²	32	59.3 Å²	59.3	21%	0.208	34%	0.338	C	S	.	.	P	Polyproline II helix	trans	-59.6	130.4	167.6	-17.6	29	0	0	0	110.7	Y273 L555 I557	Y273-P415 HydrophobicContact CD1-CB 4.22Å; Y273-P415 HydrophobicContact CD1-CG 4.25Å; Y273-P415 HydrophobicContact CD2-CB 3.74Å; Y273-P415 HydrophobicContact CD2-CG 3.27Å; Y273-P415 HydrophobicContact CE1-CB 3.95Å; Y273-P415 HydrophobicContact CE1-CG 4.43Å; Y273-P415 HydrophobicContact CE2-CB 3.4Å; Y273-P415 HydrophobicContact CE2-CG 3.47Å; Y273-P415 VanDerWaalsContact CE2-CG 3.47Å; Y273-P415 HydrophobicContact CG-CB 4.14Å; Y273-P415 HydrophobicContact CG-CG 3.71Å; P415-L555 WeakPolarHBondContact CD-O 3.33Å; P415-I557 HydrophobicContact CG-CG2 4.13Å
416	M	79.7	Confident	81.4	Confident	107 Å²	107	62.1 Å²	62.1	53%	0.527	37%	0.372	S	S	.	.	P	Polyproline II helix	trans	-93.1	158.8	175.9	-58.3	-66.9	-77.3	0	0	111	L414 G418 G419 K420 P422	L414-M416 PolarHBondContact O-N 3.22Å; M416-G418 PolarHBondContact O-N 2.92Å; M416-G419 PolarHBondContact O-N 2.92Å; M416-K420 WeakPolarHBondContact CB-O 3.45Å; M416-K420 PolarHBondContact N-O 2.91Å; M416-P422 HydrophobicContact CG-CG 3.58Å; M416-P422 HydrophobicContact SD-CG 4.29Å
417	S	75.7	Confident	81.2	Confident	127 Å²	127	64.8 Å²	64.8	89%	0.888	39%	0.386	S	S	*	.	G	3₁₀ helix	trans	-51.6	134.9	172.6	-174.1	0	0	0	0	111.1
418	G	72.2	Confident	81.3	Confident	76 Å²	76	67.1 Å²	67.1	78%	0.784	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	80.6	9.3	-174.4	0	0	0	0	0	115.1	M416 K420	M416-G418 PolarHBondContact O-N 2.92Å; G418-K420 VanDerWaalsContact C-N 3.28Å; G418-K420 PolarHBondContact O-N 3.34Å
419	G	68.1	Low	81.8	Confident	39 Å²	39	67.2 Å²	67.2	40%	0.402	41%	0.406	S	S	.	.	G	3₁₀ helix	trans	78.4	5.9	173.5	0	0	0	0	0	114.9	M416 V421	M416-G419 PolarHBondContact O-N 2.92Å; G419-V421 PolarHBondContact O-N 2.78Å
420	K	70	Confident	82.2	Confident	164 Å²	164	67.4 Å²	67.4	71%	0.713	41%	0.407	S	S	*	.	P	Polyproline II helix	trans	-71.1	131.3	178.2	-68.3	-173.6	178.1	-176.3	0	110.7	M416 G418 P422	M416-K420 WeakPolarHBondContact CB-O 3.45Å; M416-K420 PolarHBondContact N-O 2.91Å; G418-K420 VanDerWaalsContact C-N 3.28Å; G418-K420 PolarHBondContact O-N 3.34Å; K420-P422 WeakPolarHBondContact O-CD 3.47Å
421	V	70.3	Confident	82.3	Confident	70 Å²	70	68.6 Å²	68.6	42%	0.424	41%	0.414	S	S	.	.	P	Polyproline II helix	trans	-90.6	121.3	169.8	177	0	0	0	0	108.5	V413 G419 I557	V413-V421 HydrophobicContact CG1-CG1 4.12Å; G419-V421 PolarHBondContact O-N 2.78Å; V421-I557 HydrophobicContact CG1-CD1 3.49Å; V421-I557 VanDerWaalsContact CG1-CD1 3.49Å; V421-I557 HydrophobicContact CG2-CD1 4.39Å; V421-I557 HydrophobicContact CG2-CG2 4.2Å
422	P	73.7	Confident	82.4	Confident	48 Å²	48	70.7 Å²	70.7	31%	0.312	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-55.8	145.8	171.2	-26.7	32.9	0	0	0	112.7	V413 M416 K420 L424	V413-P422 HydrophobicContact CG1-CB 4.25Å; V413-P422 HydrophobicContact CG1-CG 3.95Å; M416-P422 HydrophobicContact CG-CG 3.58Å; M416-P422 HydrophobicContact SD-CG 4.29Å; K420-P422 WeakPolarHBondContact O-CD 3.47Å; P422-L424 PolarHBondContact O-N 3.06Å
423	D	77.8	Confident	82.7	Confident	116 Å²	116	67 Å²	67	62%	0.62	41%	0.41	S	S	*	.	P	Polyproline II helix	trans	-59.8	128.6	172.1	-176.5	8.8	0	0	0	110.7	K425	D423-K425 VanDerWaalsContact C-N 3.31Å; D423-K425 WeakPolarHBondContact OD1-CB 3.49Å; D423-K425 WeakPolarHBondContact OD1-CG 3.34Å; D423-K425 PolarHBondContact OD1-N 3.29Å
424	L	80.6	Confident	83.1	Confident	40 Å²	40	68.6 Å²	68.6	21%	0.209	42%	0.42	C	S	.	.	G	3₁₀ helix	trans	-73.7	-24.1	178.5	-66.9	158	0	0	0	111.5	G408 K411 V413 P422 G426 L427	G408-L424 WeakPolarHBondContact O-CD1 3.28Å; K411-L424 HydrophobicContact CB-CD2 3.77Å; K411-L424 HydrophobicContact CD-CB 4.11Å; K411-L424 HydrophobicContact CD-CD2 4.24Å; K411-L424 WeakPolarHBondContact CD-O 3.48Å; K411-L424 PolarHBondContact NZ-O 3.39Å; V413-L424 HydrophobicContact CB-CD2 4.46Å; V413-L424 HydrophobicContact CG2-CD2 3.41Å; V413-L424 VanDerWaalsContact CG2-CD2 3.41Å; V413-L424 HydrophobicContact CG2-CG 4.47Å; P422-L424 PolarHBondContact O-N 3.06Å; L424-G426 PolarHBondContact O-N 3.18Å; L424-L427 PolarHBondContact O-N 3.33Å; L424-L427 VanDerWaalsContact O-N 3.09Å
425	K	73.6	Confident	83.7	Confident	149 Å²	149	65 Å²	65	65%	0.648	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-65.3	-1.7	-167.4	-69.5	178.8	177.9	175.6	0	115.7	D103 D423	D103-K425 IonicContact OD2-NZ 2.73Å; D103-K425 PolarHBondContact OD2-NZ 2.86Å; D423-K425 VanDerWaalsContact C-N 3.31Å; D423-K425 WeakPolarHBondContact OD1-CB 3.49Å; D423-K425 WeakPolarHBondContact OD1-CG 3.34Å; D423-K425 PolarHBondContact OD1-N 3.29Å
426	G	78.9	Confident	84.5	Confident	72 Å²	72	63.5 Å²	63.5	74%	0.742	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-123.4	-3.3	172.3	0	0	0	0	0	115.8	L424	L424-G426 PolarHBondContact O-N 3.18Å
427	L	89.3	Confident	85.4	Confident	61 Å²	61	58.4 Å²	58.4	32%	0.319	37%	0.367	S	S	.	.	S	Bend	trans	-83.2	144.6	-176.9	-64.6	175.1	0	0	0	111.4	K411 V413 L424 A429	K411-L427 HydrophobicContact CD-CB 4.15Å; K411-L427 WeakPolarHBondContact CE-O 3.18Å; K411-L427 PolarHBondContact NZ-O 3.18Å; V413-L427 HydrophobicContact CG2-CD1 3.31Å; L424-L427 PolarHBondContact O-N 3.33Å; L424-L427 VanDerWaalsContact O-N 3.09Å; L427-A429 PolarHBondContact O-N 3.15Å
428	P	91.9	Very high	86.5	Confident	111 Å²	111	52.4 Å²	52.4	72%	0.721	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-64.4	138	175	27.5	-34	0	0	0	110.6	I430	P428-I430 PolarHBondContact O-N 2.9Å
429	A	95	Very high	87.8	Confident	23 Å²	23	48.8 Å²	48.8	19%	0.19	29%	0.288	C	S	.	.	P	Polyproline II helix	trans	-59.6	132.4	169.6	0	0	0	0	0	110.3	L427 L431	L427-A429 PolarHBondContact O-N 3.15Å; A429-L431 PolarHBondContact O-N 3.08Å
430	I	96.9	Very high	89.1	Confident	13 Å²	13	47 Å²	47	7%	0.067	27%	0.269	C	S	.	.	P	Polyproline II helix	trans	-59.2	128.5	175.5	-65.1	164.7	0	0	0	108.5	I383 R386 Y410 P428 L560 L561	I383-I430 HydrophobicContact CD1-CB 3.86Å; I383-I430 HydrophobicContact CD1-CG2 3.76Å; I383-I430 VanDerWaalsContact CD1-O 3.3Å; I383-I430 WeakPolarHBondContact CD1-O 3.35Å; I383-I430 HydrophobicContact CG1-CG2 4.31Å; I383-I430 HydrophobicContact CG2-CG2 3.75Å; R386-I430 PolarHBondContact NE-O 2.85Å; R386-I430 PolarHBondContact NH2-O 3.41Å; R386-I430 VanDerWaalsContact NH2-O 3.09Å; Y410-I430 WeakPolarHBondContact O-CB 3.27Å; Y410-I430 VanDerWaalsContact O-CG1 3.24Å; Y410-I430 WeakPolarHBondContact O-CG1 3.5Å; Y410-I430 PolarHBondContact O-N 3.48Å; P428-I430 PolarHBondContact O-N 2.9Å; I430-L560 HydrophobicContact CD1-CB 4.2Å; I430-L560 HydrophobicContact CD1-CD1 3.81Å; I430-L561 HydrophobicContact CD1-CD1 3.88Å; I430-L561 HydrophobicContact CD1-CD2 4.46Å; I430-L561 HydrophobicContact CD1-CG 4Å; I430-L561 HydrophobicContact CG1-CD1 4.12Å; I430-L561 HydrophobicContact CG2-CD1 4.01Å; I430-L561 HydrophobicContact CG2-CD2 3.75Å; I430-L561 HydrophobicContact CG2-CG 4.27Å
431	L	96.3	Very high	90.4	Very high	34 Å²	34	43.2 Å²	43.2	18%	0.178	25%	0.252	C	S	.	.			trans	-112.6	-71.7	176	-177.2	70.6	0	0	0	110.9	L344 L348 S382 I383 R386 A429	L344-L431 HydrophobicContact CD2-CD1 3.38Å; L348-L431 HydrophobicContact CD1-CD2 3.3Å; S382-L431 CarbonylContact C-O 3.39Å; S382-L431 WeakPolarHBondContact CA-O 3.46Å; S382-L431 WeakPolarHBondContact CB-O 3.27Å; S382-L431 WeakPolarHBondContact OG-CD1 3.33Å; S382-L431 WeakPolarHBondContact OG-CG 3.45Å; I383-L431 PolarHBondContact N-O 3.12Å; R386-L431 HydrophobicContact CG-CD1 4.12Å; A429-L431 PolarHBondContact O-N 3.08Å
432	D	96.1	Very high	91.6	Very high	46 Å²	46	40.2 Å²	40.2	25%	0.246	23%	0.234	C	C	.	.	B	Isolated β-bridge	trans	-86.8	138.7	-176	-67.1	-8.6	0	0	0	111	R354 G464 R466	R354-D432 IonicContact CZ-OD1 3.9Å; R354-D432 IonicContact NH1-OD1 3.69Å; R354-D432 IonicContact NH1-OD2 3.68Å; R354-D432 IonicContact NH2-OD1 2.81Å; R354-D432 PolarHBondContact NH2-OD1 3.46Å; D432-G464 WeakPolarHBondContact OD2-CA 3.2Å; D432-G464 PolarHBondContact OD2-N 2.08Å; D432-R466 IonicContact OD2-NH1 3.72Å
433	Y	95.8	Very high	92.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-74.3	139.6	170.7	-151	-91.8	0	0	0	109.5	V248 C249 N252 I383 Q436 G463 R466 L561 S562	V248-Y433 HydrophobicContact CB-CD2 4.35Å; V248-Y433 HydrophobicContact CG1-CD1 4.39Å; V248-Y433 HydrophobicContact CG1-CD2 3.55Å; V248-Y433 HydrophobicContact CG1-CE2 4.34Å; V248-Y433 HydrophobicContact CG1-CG 3.59Å; V248-Y433 HydrophobicContact CG2-CD1 4.4Å; V248-Y433 HydrophobicContact CG2-CD2 3.82Å; V248-Y433 HydrophobicContact CG2-CE1 4.38Å; V248-Y433 HydrophobicContact CG2-CE2 3.74Å; V248-Y433 HydrophobicContact CG2-CG 4.17Å; C249-Y433 WeakPolarHBondContact O-CE2 3.49Å; N252-Y433 PolarHBondContact O-OH 3.43Å; I383-Y433 HydrophobicContact CG2-CD2 3.95Å; Y433-Q436 HydrophobicContact CD1-CB 4.35Å; Y433-Q436 HydrophobicContact CD1-CG 3.93Å; Y433-Q436 HydrophobicContact CE1-CB 3.93Å; Y433-Q436 HydrophobicContact CE1-CG 3.72Å; Y433-G463 WeakPolarHBondContact O-CA 3.28Å; Y433-G463 PolarHBondContact O-N 2.95Å; Y433-R466 PolarHBondContact O-NH2 3.26Å; Y433-L561 HydrophobicContact CD2-CD2 3.64Å; Y433-L561 HydrophobicContact CE2-CD2 3.78Å; Y433-L561 HydrophobicContact CG-CD2 4.3Å; Y433-S562 PolarHBondContact OH-N 3.43Å; Y433-S562 PolarHBondContact OH-O 3.41Å
434	P	97.2	Very high	93.4	Very high	36 Å²	36	38.8 Å²	38.8	23%	0.234	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-66.8	169.2	173.3	30.5	-36.7	0	0	0	111.2	Q436 L561 N563	P434-Q436 PolarHBondContact O-N 3.08Å; P434-L561 HydrophobicContact CG-CB 4.11Å; P434-N563 HydrophobicContact CG-CB 4.09Å
435	V	98.2	Very high	94.1	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.012	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-58.2	136.5	171.4	64.7	0	0	0	0	110.2	F461 I468 A539 D541 N545 Q547 N563	V435-F461 CarbonylContact C-O 3.52Å; V435-F461 WeakPolarHBondContact CA-O 3.41Å; V435-I468 HydrophobicContact CG2-CD1 3.9Å; V435-A539 HydrophobicContact CG2-CB 3.88Å; V435-D541 HydrophobicContact CB-CB 4.22Å; V435-D541 HydrophobicContact CG2-CB 4.1Å; V435-N545 HydrophobicContact CG1-CB 3.92Å; V435-Q547 HydrophobicContact CG1-CG 4.24Å; V435-Q547 WeakPolarHBondContact O-CG 3.4Å; V435-N563 WeakPolarHBondContact O-CB 3.29Å; V435-N563 PolarHBondContact O-ND2 3.46Å; V435-N563 VanDerWaalsContact O-ND2 3.11Å
436	Q	98.1	Very high	95.2	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	156.2	-179.2	75.1	94.7	4.5	0	0	111.4	Y433 P434 A460 F461 N563	Y433-Q436 HydrophobicContact CD1-CB 4.35Å; Y433-Q436 HydrophobicContact CD1-CG 3.93Å; Y433-Q436 HydrophobicContact CE1-CB 3.93Å; Y433-Q436 HydrophobicContact CE1-CG 3.72Å; P434-Q436 PolarHBondContact O-N 3.08Å; Q436-A460 CarbonylContact O-C 3.55Å; Q436-A460 VanDerWaalsContact O-CA 3.22Å; Q436-A460 WeakPolarHBondContact O-CA 3.28Å; Q436-F461 HydrophobicContact CG-CB 4.38Å; Q436-F461 PolarHBondContact N-O 2.86Å; Q436-F461 PolarHBondContact O-N 2.84Å; Q436-N563 HydrophobicContact CB-CB 4.06Å
437	S	98.5	Very high	96	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	154.2	172.7	63.1	0	0	0	0	111.6	R253 Y459 C537 Q547	R253-S437 PolarHBondContact NH1-O 2.87Å; S437-Y459 VanDerWaalsContact CA-O 3.32Å; S437-Y459 WeakPolarHBondContact CA-O 3.21Å; S437-C537 PolarHBondContact OG-SG 3.36Å; S437-Q547 PolarHBondContact OG-OE1 3.29Å
438	V	98.5	Very high	96.3	Very high	0 Å²	0	34.4 Å²	34.4	0%	0	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	142.6	180	165.3	0	0	0	0	110.6	L179 R253 E281 G458 Y459 W520 H566	L179-V438 HydrophobicContact CD1-CG1 3.9Å; L179-V438 HydrophobicContact CD2-CG1 4.47Å; R253-V438 VanDerWaalsContact CD-CG2 3.49Å; R253-V438 HydrophobicContact CG-CG2 4.32Å; E281-V438 HydrophobicContact CB-CG1 3.7Å; E281-V438 HydrophobicContact CB-CG2 4.11Å; E281-V438 HydrophobicContact CG-CG1 3.84Å; E281-V438 HydrophobicContact CG-CG2 4.21Å; V438-G458 WeakPolarHBondContact O-CA 3.28Å; V438-Y459 HydrophobicContact CB-CD1 4.48Å; V438-Y459 HydrophobicContact CB-CD2 4.39Å; V438-Y459 HydrophobicContact CB-CE1 3.9Å; V438-Y459 HydrophobicContact CB-CE2 3.63Å; V438-Y459 VanDerWaalsContact CB-CZ 3.43Å; V438-Y459 WeakPolarHBondContact CB-OH 3.17Å; V438-Y459 HydrophobicContact CG1-CE1 4.08Å; V438-Y459 HydrophobicContact CG2-CE1 4.48Å; V438-Y459 HydrophobicContact CG2-CE2 3.78Å; V438-Y459 WeakPolarHBondContact CG2-OH 3.13Å; V438-Y459 PolarHBondContact N-O 2.91Å; V438-Y459 PolarHBondContact O-N 3.21Å; V438-Y459 VanDerWaalsContact O-N 3.14Å; V438-W520 WeakPolarHBondContact O-CZ2 3.42Å; V438-H566 HydrophobicContact CG2-CB 4.29Å
439	I	98.2	Very high	96.4	Very high	1 Å²	1	36 Å²	36	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	117.4	169.8	-45.4	177.7	0	0	0	108.2	L456 W520 F535 C537 H566 I568	I439-L456 HydrophobicContact CD1-CD2 4.29Å; I439-L456 HydrophobicContact CG2-CB 4.3Å; I439-L456 HydrophobicContact CG2-CD2 3.97Å; I439-W520 HydrophobicContact CB-CH2 4.17Å; I439-W520 HydrophobicContact CB-CZ2 4.46Å; I439-W520 HydrophobicContact CG1-CH2 3.87Å; I439-W520 HydrophobicContact CG1-CZ2 4.13Å; I439-W520 HydrophobicContact CG2-CH2 4.09Å; I439-F535 HydrophobicContact CD1-CB 3.94Å; I439-C537 HydrophobicContact CD1-CB 4.18Å; I439-C537 HydrophobicContact CG1-CB 3.82Å; I439-H566 PolarHBondContact N-ND1 2.89Å; I439-H566 VanDerWaalsContact N-ND1 3.11Å; I439-H566 PolarHBondContact O-CE1 3Å; I439-H566 VanDerWaalsContact O-CE1 3.31Å; I439-I568 HydrophobicContact CB-CD1 4.01Å; I439-I568 HydrophobicContact CB-CG2 4.4Å; I439-I568 HydrophobicContact CD1-CD1 4.07Å; I439-I568 HydrophobicContact CD1-CG1 3.94Å; I439-I568 HydrophobicContact CG2-CD1 3.49Å; I439-I568 VanDerWaalsContact CG2-CD1 3.49Å; I439-I568 HydrophobicContact CG2-CG1 4.48Å
440	C	97.1	Very high	96.4	Very high	1 Å²	1	35.1 Å²	35.1	1%	0.007	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	-37.8	-178.6	-61.5	0	0	0	0	112.7	L179 S457 Y459	L179-C440 HydrophobicContact CD1-CB 3.99Å; L179-C440 WeakPolarHBondContact CD1-SG 3.32Å; L179-C440 HydrophobicContact CG-CB 4.1Å; C440-S457 PolarHBondContact N-O 3.32Å; C440-Y459 VanDerWaalsContact SG-CD1 3.54Å
441	K	96.4	Very high	96.2	Very high	84 Å²	84	39.2 Å²	39.2	37%	0.365	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	141	175.6	-64.4	-178.1	179.8	171.3	0	109.8	P180 L456 S457	P180-K441 WeakPolarHBondContact O-CE 3.4Å; P180-K441 PolarHBondContact O-NZ 3.41Å; K441-L456 CarbonylContact O-C 3.31Å; K441-L456 VanDerWaalsContact O-CA 3.27Å; K441-L456 WeakPolarHBondContact O-CA 3.45Å; K441-S457 PolarHBondContact N-O 3.37Å; K441-S457 PolarHBondContact O-N 3.02Å
442	P	96.3	Very high	96	Very high	7 Å²	7	38.5 Å²	38.5	5%	0.045	22%	0.219	C	C	.	.	S	Bend	cis	-62.1	164.4	-11.9	28.6	-36.7	0	0	0	112.7	Q446 L448 I568 I570	P442-Q446 HydrophobicContact CB-CB 4.31Å; P442-L448 HydrophobicContact CB-CD1 4.04Å; P442-L448 HydrophobicContact CG-CD1 4.05Å; P442-I568 HydrophobicContact CG-CD1 4.16Å; P442-I568 WeakPolarHBondContact O-CD1 3.05Å; P442-I570 HydrophobicContact CB-CD1 3.7Å; P442-I570 HydrophobicContact CB-CG1 4.42Å; P442-I570 HydrophobicContact CG-CD1 3.42Å; P442-I570 VanDerWaalsContact CG-CD1 3.42Å; P442-I570 HydrophobicContact CG-CG1 3.63Å; P442-I570 HydrophobicContact CG-CG2 4.47Å
443	S	94	Very high	96	Very high	46 Å²	46	37.8 Å²	37.8	32%	0.322	22%	0.218	S	C	.	.	P	Polyproline II helix	trans	-77.4	150.4	175.8	-60.7	0	0	0	0	111.1	G445 Q446 I570	S443-G445 PolarHBondContact O-N 3.36Å; S443-Q446 WeakPolarHBondContact O-CB 3.41Å; S443-Q446 PolarHBondContact O-N 2.78Å; S443-I570 WeakPolarHBondContact O-CD1 3.43Å
444	D	95.1	Very high	96	Very high	88 Å²	88	38.1 Å²	38.1	47%	0.471	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.2	131.8	176	-172.7	32.7	0	0	0	111.5	Q446 I568 N569	D444-Q446 VanDerWaalsContact C-N 3.28Å; D444-Q446 PolarHBondContact O-N 3.39Å; D444-I568 HydrophobicContact CB-CB 4.11Å; D444-I568 HydrophobicContact CB-CG2 4.01Å; D444-I568 WeakPolarHBondContact OD1-CA 3.46Å; D444-N569 PolarHBondContact OD1-N 3.01Å
445	G	95.1	Very high	96	Very high	42 Å²	42	40.3 Å²	40.3	43%	0.433	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	-1.8	-176	0	0	0	0	0	115.6	S443 N569	S443-G445 PolarHBondContact O-N 3.36Å; G445-N569 VanDerWaalsContact CA-O 3.28Å; G445-N569 WeakPolarHBondContact CA-O 3.38Å; G445-N569 PolarHBondContact N-O 2.81Å
446	Q	95.5	Very high	96	Very high	80 Å²	80	40.2 Å²	40.2	37%	0.374	24%	0.235	S	C	.	.			trans	-62.4	139.3	178.6	-173.7	174.4	0.3	0	0	111	P442 S443 D444 L448 I570 K571	P442-Q446 HydrophobicContact CB-CB 4.31Å; S443-Q446 WeakPolarHBondContact O-CB 3.41Å; S443-Q446 PolarHBondContact O-N 2.78Å; D444-Q446 VanDerWaalsContact C-N 3.28Å; D444-Q446 PolarHBondContact O-N 3.39Å; Q446-L448 HydrophobicContact CG-CD2 3.87Å; Q446-L448 HydrophobicContact CG-CG 4.45Å; Q446-I570 HydrophobicContact CB-CD1 4.22Å; Q446-K571 PolarHBondContact O-N 2.88Å
447	T	97.2	Very high	96	Very high	68 Å²	68	41.2 Å²	41.2	42%	0.417	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	128.5	171.6	-55.3	0	0	0	0	109.5	K571 D573	T447-K571 CarbonylContact C-O 3.57Å; T447-K571 VanDerWaalsContact CA-O 3.32Å; T447-K571 WeakPolarHBondContact CA-O 3.4Å; T447-K571 HydrophobicContact CG2-CB 4.21Å; T447-D573 WeakPolarHBondContact CG2-OD1 3.38Å
448	L	95.4	Very high	95.9	Very high	40 Å²	40	41.3 Å²	41.3	21%	0.209	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	158.1	-179.4	-59.2	-178.5	0	0	0	110.6	P442 Q446 V454 I570 K571 F572 D573	P442-L448 HydrophobicContact CB-CD1 4.04Å; P442-L448 HydrophobicContact CG-CD1 4.05Å; Q446-L448 HydrophobicContact CG-CD2 3.87Å; Q446-L448 HydrophobicContact CG-CG 4.45Å; L448-V454 HydrophobicContact CD1-CG2 3.73Å; L448-I570 HydrophobicContact CD1-CG2 3.78Å; L448-I570 HydrophobicContact CG-CG2 3.98Å; L448-K571 PolarHBondContact N-O 3.14Å; L448-F572 HydrophobicContact CB-CD1 4.12Å; L448-F572 HydrophobicContact CB-CE1 4.08Å; L448-F572 HydrophobicContact CD1-CE1 4.29Å; L448-F572 CarbonylContact O-C 3.56Å; L448-F572 VanDerWaalsContact O-CA 3.28Å; L448-F572 WeakPolarHBondContact O-CA 3.32Å; L448-D573 PolarHBondContact O-N 3.29Å
449	K	93.9	Very high	95.9	Very high	145 Å²	145	41.3 Å²	41.3	63%	0.63	24%	0.243	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-73.8	131.4	167.1	-175	179.1	-179.6	178.9	0	109.3	T451	K449-T451 HydrophobicContact CG-CG2 4.47Å; K449-T451 PolarHBondContact O-N 3.19Å
450	N	93.7	Very high	95.9	Very high	4 Å²	4	41.2 Å²	41.2	2%	0.021	24%	0.243	C	C	.	.			trans	-72.7	110.1	172.4	-163.9	-28.4	0	0	0	110.8	G452 P527 K528 I530 F572 D573	N450-G452 PolarHBondContact OD1-N 2.9Å; N450-P527 PolarHBondContact ND2-O 3.29Å; N450-K528 VanDerWaalsContact ND2-C 3.28Å; N450-K528 PolarHBondContact ND2-O 3.42Å; N450-I530 PolarHBondContact ND2-O 3.36Å; N450-F572 HydrophobicContact CB-CB 4.18Å; N450-F572 HydrophobicContact CB-CD1 4.31Å; N450-D573 PolarHBondContact N-O 2.94Å
451	T	92.8	Very high	95.9	Very high	99 Å²	99	41.2 Å²	41.2	61%	0.607	24%	0.243	S	C	*	.			trans	-105.7	8.7	174.7	51.2	0	0	0	0	113	K449 S453	K449-T451 HydrophobicContact CG-CG2 4.47Å; K449-T451 PolarHBondContact O-N 3.19Å; T451-S453 VanDerWaalsContact C-N 3.27Å; T451-S453 PolarHBondContact OG1-O 3.08Å
452	G	93.9	Very high	95.9	Very high	20 Å²	20	37.3 Å²	37.3	21%	0.206	23%	0.226	C	C	.	.	S	Bend	trans	83.8	-6.9	-173.2	0	0	0	0	0	114.6	N450 P525 I526	N450-G452 PolarHBondContact OD1-N 2.9Å; G452-P525 WeakPolarHBondContact O-CA 3.1Å; G452-I526 CarbonylContact C-O 3.52Å; G452-I526 PolarHBondContact O-N 2.88Å
453	S	95.3	Very high	95.9	Very high	31 Å²	31	37 Å²	37	22%	0.217	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	159.8	169.8	67.1	0	0	0	0	110.3	T451 E523 I524	T451-S453 VanDerWaalsContact C-N 3.27Å; T451-S453 PolarHBondContact OG1-O 3.08Å; S453-E523 WeakPolarHBondContact CB-OE1 3.38Å; S453-E523 PolarHBondContact OG-OE1 3.42Å; S453-I524 CarbonylContact C-O 3.53Å; S453-I524 VanDerWaalsContact CA-O 3.25Å; S453-I524 WeakPolarHBondContact CA-O 3.28Å
454	V	96.5	Very high	95.9	Very high	6 Å²	6	36 Å²	36	4%	0.036	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	135.1	172.3	59.9	0	0	0	0	109.9	L448 L456 I524 I526 F535 F572	L448-V454 HydrophobicContact CD1-CG2 3.73Å; V454-L456 HydrophobicContact CG1-CD1 3.87Å; V454-L456 HydrophobicContact CG2-CD1 4.48Å; V454-I524 HydrophobicContact CG1-CB 4.3Å; V454-I524 PolarHBondContact N-O 2.99Å; V454-I524 PolarHBondContact O-N 3.44Å; V454-I526 HydrophobicContact CB-CD1 4.38Å; V454-I526 HydrophobicContact CG1-CD1 4.46Å; V454-I526 HydrophobicContact CG1-CG2 4.02Å; V454-F535 HydrophobicContact CG1-CE1 3.88Å; V454-F535 HydrophobicContact CG1-CE2 4.16Å; V454-F535 HydrophobicContact CG1-CZ 3.4Å; V454-F535 VanDerWaalsContact CG1-CZ 3.4Å; V454-F572 HydrophobicContact CB-CE1 4.29Å; V454-F572 HydrophobicContact CB-CZ 4.24Å; V454-F572 HydrophobicContact CG1-CZ 4.35Å; V454-F572 HydrophobicContact CG2-CE1 4.44Å; V454-F572 HydrophobicContact CG2-CZ 4.37Å
455	S	97.1	Very high	95.7	Very high	82 Å²	82	31.9 Å²	31.9	57%	0.573	20%	0.199	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	127.3	173.1	-173.8	0	0	0	0	109.8	V522	S455-V522 WeakPolarHBondContact CA-O 3.16Å
456	L	97.8	Very high	95.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	146.3	172.7	-56	94.6	0	0	0	109.8	I439 K441 V454 V473 W520 T521 V522 I524 F535 I568	I439-L456 HydrophobicContact CD1-CD2 4.29Å; I439-L456 HydrophobicContact CG2-CB 4.3Å; I439-L456 HydrophobicContact CG2-CD2 3.97Å; K441-L456 CarbonylContact O-C 3.31Å; K441-L456 VanDerWaalsContact O-CA 3.27Å; K441-L456 WeakPolarHBondContact O-CA 3.45Å; V454-L456 HydrophobicContact CG1-CD1 3.87Å; V454-L456 HydrophobicContact CG2-CD1 4.48Å; L456-V473 HydrophobicContact CD2-CG1 4.31Å; L456-W520 HydrophobicContact CB-CZ3 4.18Å; L456-T521 CarbonylContact O-C 3.56Å; L456-T521 WeakPolarHBondContact O-CA 3.45Å; L456-V522 HydrophobicContact CB-CG1 3.93Å; L456-V522 HydrophobicContact CD1-CG1 4.12Å; L456-V522 PolarHBondContact N-O 3.02Å; L456-V522 PolarHBondContact O-N 2.99Å; L456-I524 HydrophobicContact CD1-CB 4.25Å; L456-I524 HydrophobicContact CD1-CD1 3.73Å; L456-I524 HydrophobicContact CD1-CG1 3.94Å; L456-F535 HydrophobicContact CD1-CD1 4.15Å; L456-F535 HydrophobicContact CD1-CE1 4.12Å; L456-F535 HydrophobicContact CD2-CB 3.75Å; L456-F535 HydrophobicContact CD2-CD1 3.79Å; L456-F535 HydrophobicContact CD2-CD2 4.06Å; L456-F535 HydrophobicContact CD2-CE1 4.43Å; L456-F535 HydrophobicContact CD2-CG 3.59Å; L456-I568 HydrophobicContact CD2-CD1 4.34Å
457	S	97.2	Very high	95.5	Very high	22 Å²	22	28.6 Å²	28.6	15%	0.154	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	154.5	174.4	62.4	0	0	0	0	111.2	C440 K441 W520	C440-S457 PolarHBondContact N-O 3.32Å; K441-S457 PolarHBondContact N-O 3.37Å; K441-S457 PolarHBondContact O-N 3.02Å; S457-W520 CarbonylContact C-O 3.54Å; S457-W520 VanDerWaalsContact CA-O 3.23Å; S457-W520 WeakPolarHBondContact CA-O 3.3Å; S457-W520 WeakPolarHBondContact CB-O 3.4Å
458	G	97.6	Very high	95.4	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-170.8	-166.7	-177.7	0	0	0	0	0	114	V438 L519 W520	V438-G458 WeakPolarHBondContact O-CA 3.28Å; G458-L519 WeakPolarHBondContact O-CA 3.42Å; G458-W520 VanDerWaalsContact C-NE1 3.32Å; G458-W520 VanDerWaalsContact CA-CE2 3.47Å; G458-W520 PolarHBondContact N-O 3.17Å; G458-W520 PolarHBondContact O-N 2.96Å
459	Y	97.4	Very high	95.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	159.3	174.5	67.6	-110	0	0	0	110.5	L179 I182 N252 E281 I284 S437 V438 C440 W517 T518 W520	L179-Y459 HydrophobicContact CD1-CE1 4.13Å; I182-Y459 HydrophobicContact CD1-CD1 3.76Å; I182-Y459 HydrophobicContact CD1-CE1 3.66Å; I182-Y459 HydrophobicContact CG2-CD1 3.79Å; I182-Y459 HydrophobicContact CG2-CG 4.46Å; N252-Y459 PolarHBondContact ND2-OH 3.07Å; E281-Y459 PolarHBondContact O-OH 3.2Å; I284-Y459 HydrophobicContact CD1-CD2 4.45Å; I284-Y459 HydrophobicContact CD1-CE2 4.3Å; I284-Y459 HydrophobicContact CG2-CE1 3.83Å; I284-Y459 HydrophobicContact CG2-CE2 4.39Å; S437-Y459 VanDerWaalsContact CA-O 3.32Å; S437-Y459 WeakPolarHBondContact CA-O 3.21Å; V438-Y459 HydrophobicContact CB-CD1 4.48Å; V438-Y459 HydrophobicContact CB-CD2 4.39Å; V438-Y459 HydrophobicContact CB-CE1 3.9Å; V438-Y459 HydrophobicContact CB-CE2 3.63Å; V438-Y459 VanDerWaalsContact CB-CZ 3.43Å; V438-Y459 WeakPolarHBondContact CB-OH 3.17Å; V438-Y459 HydrophobicContact CG1-CE1 4.08Å; V438-Y459 HydrophobicContact CG2-CE1 4.48Å; V438-Y459 HydrophobicContact CG2-CE2 3.78Å; V438-Y459 WeakPolarHBondContact CG2-OH 3.13Å; V438-Y459 PolarHBondContact N-O 2.91Å; V438-Y459 PolarHBondContact O-N 3.21Å; V438-Y459 VanDerWaalsContact O-N 3.14Å; C440-Y459 VanDerWaalsContact SG-CD1 3.54Å; Y459-W517 HydrophobicContact CD1-CE3 4.36Å; Y459-W517 HydrophobicContact CD1-CZ3 4.39Å; Y459-W517 HydrophobicContact CG-CE3 4.1Å; Y459-T518 CarbonylContact C-O 3.41Å; Y459-T518 WeakPolarHBondContact CA-O 3.39Å; Y459-W520 VanDerWaalsContact C-CD1 3.44Å; Y459-W520 PolarHBondContact O-NE1 3.49Å
460	A	98	Very high	95.4	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	148	166.8	0	0	0	0	0	109.8	Q436 I468 V471 W517 T518 A539	Q436-A460 CarbonylContact O-C 3.55Å; Q436-A460 VanDerWaalsContact O-CA 3.22Å; Q436-A460 WeakPolarHBondContact O-CA 3.28Å; A460-I468 HydrophobicContact CB-CB 4.43Å; A460-I468 HydrophobicContact CB-CD1 4.12Å; A460-I468 HydrophobicContact CB-CG1 3.81Å; A460-I468 HydrophobicContact CB-CG2 3.93Å; A460-V471 HydrophobicContact CB-CG2 3.67Å; A460-W517 CarbonylContact O-C 2.8Å; A460-W517 WeakPolarHBondContact O-CA 3.26Å; A460-W517 WeakPolarHBondContact O-CB 3.18Å; A460-T518 PolarHBondContact N-O 3.1Å; A460-T518 PolarHBondContact O-N 3.36Å; A460-A539 HydrophobicContact CB-CB 3.95Å
461	F	97.1	Very high	95.6	Very high	1 Å²	1	18.8 Å²	18.8	0%	0.004	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	147.3	-178.1	179.1	-107.1	0	0	0	111	T246 V248 I284 V435 Q436 W517	T246-F461 HydrophobicContact CG2-CD2 4.14Å; T246-F461 HydrophobicContact CG2-CE2 4.21Å; T246-F461 HydrophobicContact CG2-CG 4.37Å; T246-F461 HydrophobicContact CG2-CZ 4.5Å; V248-F461 HydrophobicContact CG1-CD1 4.15Å; V248-F461 HydrophobicContact CG1-CE1 3.73Å; I284-F461 HydrophobicContact CD1-CB 4.28Å; V435-F461 CarbonylContact C-O 3.52Å; V435-F461 WeakPolarHBondContact CA-O 3.41Å; Q436-F461 HydrophobicContact CG-CB 4.38Å; Q436-F461 PolarHBondContact N-O 2.86Å; Q436-F461 PolarHBondContact O-N 2.84Å; F461-W517 HydrophobicContact CB-CB 4.39Å; F461-W517 HydrophobicContact CD2-CB 4.49Å
462	S	97.5	Very high	95.8	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.014	12%	0.115	C	C	.	.			trans	-137.9	139.9	167.4	-167.3	0	0	0	0	108.5	R466 D541	S462-R466 PolarHBondContact OG-NE 3.05Å; S462-R466 PolarHBondContact OG-NH2 2.93Å; S462-D541 PolarHBondContact OG-OD2 2.9Å
463	G	96.4	Very high	96.1	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.105	C	C	.	.	S	Bend	trans	-70.1	-178	178.1	0	0	0	0	0	113.4	G381 Y433 G465 R466	G381-G463 CarbonylContact O-C 3.57Å; G381-G463 WeakPolarHBondContact O-CA 3.33Å; Y433-G463 WeakPolarHBondContact O-CA 3.28Å; Y433-G463 PolarHBondContact O-N 2.95Å; G463-G465 PolarHBondContact O-N 3.37Å; G463-R466 PolarHBondContact O-N 3Å; G463-R466 PolarHBondContact O-NH1 2.73Å; G463-R466 VanDerWaalsContact O-NH1 3.15Å; G463-R466 PolarHBondContact O-NH2 3.11Å
464	G	93.7	Very high	96.2	Very high	24 Å²	24	17.1 Å²	17.1	25%	0.247	10%	0.095	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	12.8	175.2	0	0	0	0	0	115.7	G381 D432 R466	G381-G464 PolarHBondContact O-N 3.07Å; G381-G464 VanDerWaalsContact O-N 3.15Å; D432-G464 WeakPolarHBondContact OD2-CA 3.2Å; D432-G464 PolarHBondContact OD2-N 2.08Å; G464-R466 VanDerWaalsContact C-N 3.34Å
465	G	91.9	Very high	96.3	Very high	3 Å²	3	18.3 Å²	18.3	3%	0.031	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	80.7	13.9	177.5	0	0	0	0	0	114	G463 V512 K513 Q514 W515	G463-G465 PolarHBondContact O-N 3.37Å; G465-V512 CarbonylContact O-C 3.43Å; G465-V512 VanDerWaalsContact O-C 3.31Å; G465-K513 PolarHBondContact O-N 2.94Å; G465-Q514 PolarHBondContact O-N 3.24Å; G465-W515 VanDerWaalsContact CA-CE3 3.46Å
466	R	93	Very high	96.2	Very high	52 Å²	52	16.3 Å²	16.3	20%	0.196	9%	0.086	C	C	.	.	P	Polyproline II helix	trans	-76.9	121.1	176.4	-61.6	-179.6	-60.7	-78.5	-7.5	109.6	D432 Y433 S462 G463 G464 D541 S542	D432-R466 IonicContact OD2-NH1 3.72Å; Y433-R466 PolarHBondContact O-NH2 3.26Å; S462-R466 PolarHBondContact OG-NE 3.05Å; S462-R466 PolarHBondContact OG-NH2 2.93Å; G463-R466 PolarHBondContact O-N 3Å; G463-R466 PolarHBondContact O-NH1 2.73Å; G463-R466 VanDerWaalsContact O-NH1 3.15Å; G463-R466 PolarHBondContact O-NH2 3.11Å; G464-R466 VanDerWaalsContact C-N 3.34Å; R466-D541 HydrophobicContact CB-CB 4.09Å; R466-D541 WeakPolarHBondContact CD-OD2 3.34Å; R466-D541 IonicContact CZ-OD2 3.52Å; R466-D541 IonicContact NE-OD2 2.64Å; R466-D541 PolarHBondContact NE-OD2 3.17Å; R466-S542 WeakPolarHBondContact CA-OG 3.09Å
467	G	92.4	Very high	95.9	Very high	1 Å²	1	17.3 Å²	17.3	1%	0.01	10%	0.097	C	C	.	.	P	Polyproline II helix	trans	-77.3	150.3	-179.5	0	0	0	0	0	113	I469 R510 Q514 D541 S542	G467-I469 PolarHBondContact O-N 2.93Å; G467-R510 WeakPolarHBondContact CA-O 3.37Å; G467-R510 PolarHBondContact N-O 2.91Å; G467-R510 VanDerWaalsContact N-O 3.12Å; G467-Q514 VanDerWaalsContact CA-CB 3.47Å; G467-Q514 VanDerWaalsContact CA-CG 3.48Å; G467-D541 CarbonylContact O-C 3.58Å; G467-D541 VanDerWaalsContact O-C 3.3Å; G467-D541 WeakPolarHBondContact O-CA 3.09Å; G467-S542 PolarHBondContact N-OG 3.13Å; G467-S542 PolarHBondContact O-N 3.16Å
468	I	94.6	Very high	95.8	Very high	3 Å²	3	17.1 Å²	17.1	2%	0.015	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	119.1	171.3	-57.4	-56	0	0	0	109	V435 A460 V471 L486 R510 T518 A539	V435-I468 HydrophobicContact CG2-CD1 3.9Å; A460-I468 HydrophobicContact CB-CB 4.43Å; A460-I468 HydrophobicContact CB-CD1 4.12Å; A460-I468 HydrophobicContact CB-CG1 3.81Å; A460-I468 HydrophobicContact CB-CG2 3.93Å; I468-V471 HydrophobicContact CG2-CG2 3.62Å; I468-L486 HydrophobicContact CG2-CD1 4.42Å; I468-R510 VanDerWaalsContact O-CD 3.22Å; I468-R510 WeakPolarHBondContact O-CD 3.24Å; I468-R510 PolarHBondContact O-NH1 2.6Å; I468-T518 HydrophobicContact CB-CG2 4.4Å; I468-A539 HydrophobicContact CD1-CB 4.42Å; I468-A539 HydrophobicContact CG2-CB 4.37Å
469	I	93.5	Very high	95.7	Very high	38 Å²	38	26.6 Å²	26.6	20%	0.195	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	-20	-179.2	62.8	170.8	0	0	0	113.1	G467 L507 R510 V540 D541 Y544	G467-I469 PolarHBondContact O-N 2.93Å; I469-L507 HydrophobicContact CB-CD2 4.32Å; I469-R510 HydrophobicContact CG2-CB 4.41Å; I469-V540 HydrophobicContact CD1-CG1 4.01Å; I469-V540 HydrophobicContact CG1-CB 4.13Å; I469-V540 HydrophobicContact CG1-CG1 4.04Å; I469-V540 WeakPolarHBondContact CG1-O 3.23Å; I469-V540 PolarHBondContact N-O 3.39Å; I469-D541 WeakPolarHBondContact CD1-O 3.48Å; I469-D541 WeakPolarHBondContact CG1-O 3.42Å; I469-Y544 HydrophobicContact CD1-CD1 4.1Å; I469-Y544 HydrophobicContact CD1-CE1 3.8Å; I469-Y544 HydrophobicContact CD1-CE2 4.42Å
470	S	95.4	Very high	95.7	Very high	10 Å²	10	29 Å²	29	7%	0.07	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	141.7	179	173.2	0	0	0	0	109.8	E483 A539 V540	S470-E483 WeakPolarHBondContact CA-OE1 3.38Å; S470-E483 WeakPolarHBondContact CB-OE1 3.33Å; S470-E483 VanDerWaalsContact OG-CD 3.24Å; S470-E483 PolarHBondContact OG-OE1 2.71Å; S470-E483 PolarHBondContact OG-OE2 2.84Å; S470-E483 VanDerWaalsContact OG-OE2 3.13Å; S470-A539 WeakPolarHBondContact O-CA 3.43Å; S470-V540 PolarHBondContact N-O 2.96Å; S470-V540 PolarHBondContact O-N 2.86Å
471	V	98.2	Very high	95.7	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	127.3	163.9	178.3	0	0	0	0	106.7	A460 I468 E483 A484 L486 W520 A539	A460-V471 HydrophobicContact CB-CG2 3.67Å; I468-V471 HydrophobicContact CG2-CG2 3.62Å; V471-E483 PolarHBondContact N-OE1 3.32Å; V471-A484 HydrophobicContact CB-CB 4.11Å; V471-A484 HydrophobicContact CG1-CB 4.29Å; V471-A484 WeakPolarHBondContact O-CB 3.37Å; V471-A484 PolarHBondContact O-N 3.33Å; V471-L486 HydrophobicContact CB-CD2 3.85Å; V471-L486 HydrophobicContact CG2-CD2 3.62Å; V471-W520 HydrophobicContact CB-CB 4.41Å; V471-W520 HydrophobicContact CB-CG 4.16Å; V471-W520 HydrophobicContact CG1-CD2 3.83Å; V471-W520 HydrophobicContact CG1-CE3 4.49Å; V471-W520 HydrophobicContact CG1-CG 3.83Å; V471-W520 HydrophobicContact CG1-CZ2 4.48Å; V471-W520 HydrophobicContact CG2-CB 4.43Å; V471-W520 HydrophobicContact CG2-CG 4.17Å; V471-A539 HydrophobicContact CG2-CB 4.05Å
472	R	98.5	Very high	95.7	Very high	114 Å²	114	36.5 Å²	36.5	43%	0.43	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	142.4	179.9	-65.4	179	-173.4	162.4	6.3	110	W481 Y482 E483 C537 S538	R472-W481 HydrophobicContact CB-CB 4.14Å; R472-W481 HydrophobicContact CB-CD2 4.06Å; R472-W481 HydrophobicContact CB-CE3 3.49Å; R472-W481 VanDerWaalsContact CB-CE3 3.49Å; R472-W481 HydrophobicContact CB-CG 4.36Å; R472-W481 HydrophobicContact CB-CZ3 4.23Å; R472-Y482 WeakPolarHBondContact CA-O 3.34Å; R472-E483 VanDerWaalsContact CG-OE2 3.27Å; R472-E483 WeakPolarHBondContact CG-OE2 3.28Å; R472-E483 IonicContact NE-OE2 2.6Å; R472-E483 PolarHBondContact NE-OE2 3.13Å; R472-E483 VanDerWaalsContact NE-OE2 3.1Å; R472-C537 CarbonylContact O-C 3.49Å; R472-C537 VanDerWaalsContact O-CA 3.28Å; R472-C537 WeakPolarHBondContact O-CA 3.38Å; R472-S538 PolarHBondContact N-O 2.81Å; R472-S538 PolarHBondContact O-N 2.88Å
473	V	98.7	Very high	95.8	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	134.9	176.8	-173.5	0	0	0	0	109.1	L456 Y482 W520 V522 I524 F535 V536 C537	L456-V473 HydrophobicContact CD2-CG1 4.31Å; V473-Y482 PolarHBondContact N-O 3.07Å; V473-Y482 PolarHBondContact O-N 3.47Å; V473-W520 HydrophobicContact CG2-CE3 4.41Å; V473-W520 HydrophobicContact CG2-CH2 3.97Å; V473-W520 HydrophobicContact CG2-CZ3 3.81Å; V473-V522 HydrophobicContact CB-CG1 3.97Å; V473-V522 HydrophobicContact CG1-CG1 4.36Å; V473-V522 HydrophobicContact CG2-CG1 3.72Å; V473-I524 HydrophobicContact CB-CD1 3.88Å; V473-I524 HydrophobicContact CG1-CD1 3.5Å; V473-I524 VanDerWaalsContact CG1-CD1 3.5Å; V473-F535 HydrophobicContact CG1-CD1 4.44Å; V473-V536 CarbonylContact C-O 3.54Å; V473-V536 VanDerWaalsContact CA-O 3.26Å; V473-V536 WeakPolarHBondContact CA-O 3.27Å; V473-V536 WeakPolarHBondContact CG1-O 3.21Å; V473-C537 HydrophobicContact CG2-CB 4.03Å
474	S	98.5	Very high	95.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	144.6	177.5	168	0	0	0	0	109.6	D476 G478 S480 F535 V536	S474-D476 PolarHBondContact OG-N 2.92Å; S474-D476 PolarHBondContact OG-OD1 2.89Å; S474-G478 VanDerWaalsContact OG-CA 3.29Å; S474-G478 WeakPolarHBondContact OG-CA 2.99Å; S474-G478 PolarHBondContact OG-N 2.82Å; S474-S480 WeakPolarHBondContact CA-O 3.47Å; S474-S480 WeakPolarHBondContact CB-O 3.17Å; S474-S480 PolarHBondContact OG-O 2.81Å; S474-F535 CarbonylContact O-C 3.02Å; S474-F535 VanDerWaalsContact O-CA 3.27Å; S474-F535 WeakPolarHBondContact O-CA 3.34Å; S474-V536 PolarHBondContact N-O 2.92Å; S474-V536 PolarHBondContact O-N 3.02Å
475	S	97.4	Very high	95.9	Very high	31 Å²	31	44.8 Å²	44.8	22%	0.217	21%	0.211	C	C	.	.	S	Bend	trans	-110.1	11.6	174.6	61.2	0	0	0	0	112.5	V533 E534	S475-V533 WeakPolarHBondContact O-CG1 3.49Å; S475-E534 CarbonylContact C-O 3.53Å
476	D	94.9	Very high	95.9	Very high	40 Å²	40	46.1 Å²	46.1	21%	0.214	22%	0.218	C	C	.	.	S	Bend	trans	-136.9	28.3	-173.1	69.6	1.3	0	0	0	112.7	S474 G478 R479 S480	S474-D476 PolarHBondContact OG-N 2.92Å; S474-D476 PolarHBondContact OG-OD1 2.89Å; D476-G478 VanDerWaalsContact C-N 3.34Å; D476-R479 PolarHBondContact O-NE 2.88Å; D476-R479 PolarHBondContact O-NH1 3.13Å; D476-R479 VanDerWaalsContact O-NH1 3.16Å; D476-R479 PolarHBondContact O-NH2 3.24Å; D476-R479 VanDerWaalsContact O-NH2 3.14Å; D476-R479 WeakPolarHBondContact OD1-CA 3.47Å; D476-R479 PolarHBondContact OD1-N 2.8Å; D476-S480 VanDerWaalsContact CG-OG 3.3Å; D476-S480 PolarHBondContact OD1-N 3.28Å; D476-S480 WeakPolarHBondContact OD2-CB 3.45Å; D476-S480 PolarHBondContact OD2-N 2.9Å; D476-S480 PolarHBondContact OD2-OG 3.37Å
477	G	91.3	Very high	95.6	Very high	22 Å²	22	44.4 Å²	44.4	23%	0.227	21%	0.214	C	C	.	.	S	Bend	trans	74.1	20.9	178.3	0	0	0	0	0	114.2
478	G	95.1	Very high	94.7	Very high	17 Å²	17	45.2 Å²	45.2	18%	0.175	22%	0.219	C	C	.	.	S	Bend	trans	96.6	13.3	176.7	0	0	0	0	0	115.4	S474 D476 W481	S474-G478 VanDerWaalsContact OG-CA 3.29Å; S474-G478 WeakPolarHBondContact OG-CA 2.99Å; S474-G478 PolarHBondContact OG-N 2.82Å; D476-G478 VanDerWaalsContact C-N 3.34Å; G478-W481 PolarHBondContact O-NE1 2.81Å
479	R	95.8	Very high	93.4	Very high	201 Å²	201	45.5 Å²	45.5	76%	0.758	22%	0.221	S	C	*	.	S	Bend	trans	-80.8	-38.2	178.4	-64.5	-175.4	-70.8	-93	2.7	112.2	D476	D476-R479 PolarHBondContact O-NE 2.88Å; D476-R479 PolarHBondContact O-NH1 3.13Å; D476-R479 VanDerWaalsContact O-NH1 3.16Å; D476-R479 PolarHBondContact O-NH2 3.24Å; D476-R479 VanDerWaalsContact O-NH2 3.14Å; D476-R479 WeakPolarHBondContact OD1-CA 3.47Å; D476-R479 PolarHBondContact OD1-N 2.8Å
480	S	97.1	Very high	91.7	Very high	51 Å²	51	44.9 Å²	44.9	36%	0.357	22%	0.22	S	C	.	.	S	Bend	trans	-131.2	155.6	174	67.6	0	0	0	0	110.8	S474 D476	S474-S480 WeakPolarHBondContact CA-O 3.47Å; S474-S480 WeakPolarHBondContact CB-O 3.17Å; S474-S480 PolarHBondContact OG-O 2.81Å; D476-S480 VanDerWaalsContact CG-OG 3.3Å; D476-S480 PolarHBondContact OD1-N 3.28Å; D476-S480 WeakPolarHBondContact OD2-CB 3.45Å; D476-S480 PolarHBondContact OD2-N 2.9Å; D476-S480 PolarHBondContact OD2-OG 3.37Å
481	W	98.2	Very high	89.5	Confident	82 Å²	82	46.1 Å²	46.1	31%	0.311	23%	0.228	S	C	.	.			trans	-137.1	139.4	-167.1	-62.8	90.7	0	0	0	111.8	R472 G478 V536 W565	R472-W481 HydrophobicContact CB-CB 4.14Å; R472-W481 HydrophobicContact CB-CD2 4.06Å; R472-W481 HydrophobicContact CB-CE3 3.49Å; R472-W481 VanDerWaalsContact CB-CE3 3.49Å; R472-W481 HydrophobicContact CB-CG 4.36Å; R472-W481 HydrophobicContact CB-CZ3 4.23Å; G478-W481 PolarHBondContact O-NE1 2.81Å; W481-V536 HydrophobicContact CH2-CG2 4.02Å; W481-V536 HydrophobicContact CZ3-CG2 4.18Å; W481-W565 HydrophobicContact CH2-CD2 4.01Å; W481-W565 AromaticContact CH2-CE3 3.89Å; W481-W565 HydrophobicContact CH2-CE3 3.89Å; W481-W565 HydrophobicContact CH2-CH2 4.07Å; W481-W565 HydrophobicContact CH2-CZ2 4.17Å; W481-W565 AromaticContact CH2-CZ3 3.93Å; W481-W565 HydrophobicContact CH2-CZ3 3.93Å; W481-W565 HydrophobicContact CZ2-CE3 4.26Å; W481-W565 AromaticContact CZ2-CH2 3.67Å; W481-W565 HydrophobicContact CZ2-CH2 3.67Å; W481-W565 AromaticContact CZ2-CZ2 4Å; W481-W565 HydrophobicContact CZ2-CZ2 4Å; W481-W565 AromaticContact CZ2-CZ3 3.81Å; W481-W565 HydrophobicContact CZ2-CZ3 3.81Å
482	Y	98.4	Very high	86.9	Confident	76 Å²	76	50.3 Å²	50.3	30%	0.298	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.7	168.6	-60.3	-91.9	0	0	0	108.6	R472 V473 I524 P525	R472-Y482 WeakPolarHBondContact CA-O 3.34Å; V473-Y482 PolarHBondContact N-O 3.07Å; V473-Y482 PolarHBondContact O-N 3.47Å; Y482-I524 HydrophobicContact CD2-CB 4.48Å; Y482-I524 HydrophobicContact CD2-CD1 3.91Å; Y482-I524 HydrophobicContact CD2-CG1 3.92Å; Y482-I524 HydrophobicContact CD2-CG2 3.9Å; Y482-I524 HydrophobicContact CE2-CG1 4.5Å; Y482-I524 HydrophobicContact CE2-CG2 3.59Å; Y482-I524 HydrophobicContact CG-CD1 4.37Å; Y482-I524 HydrophobicContact CG-CG1 4.02Å; Y482-P525 HydrophobicContact CE1-CG 3.92Å
483	E	98.1	Very high	84.1	Confident	100 Å²	100	47.3 Å²	47.3	47%	0.467	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	128.9	176.9	-168.1	70.4	-147.2	0	0	109.6	S470 V471 R472	S470-E483 WeakPolarHBondContact CA-OE1 3.38Å; S470-E483 WeakPolarHBondContact CB-OE1 3.33Å; S470-E483 VanDerWaalsContact OG-CD 3.24Å; S470-E483 PolarHBondContact OG-OE1 2.71Å; S470-E483 PolarHBondContact OG-OE2 2.84Å; S470-E483 VanDerWaalsContact OG-OE2 3.13Å; V471-E483 PolarHBondContact N-OE1 3.32Å; R472-E483 VanDerWaalsContact CG-OE2 3.27Å; R472-E483 WeakPolarHBondContact CG-OE2 3.28Å; R472-E483 IonicContact NE-OE2 2.6Å; R472-E483 PolarHBondContact NE-OE2 3.13Å; R472-E483 VanDerWaalsContact NE-OE2 3.1Å
484	A	97.6	Very high	81.4	Confident	8 Å²	8	51.3 Å²	51.3	7%	0.066	30%	0.296	C	S	.	.	P	Polyproline II helix	trans	-83.4	148.3	179.8	0	0	0	0	0	111.7	V471 L486 W520 T521 V522	V471-A484 HydrophobicContact CB-CB 4.11Å; V471-A484 HydrophobicContact CG1-CB 4.29Å; V471-A484 WeakPolarHBondContact O-CB 3.37Å; V471-A484 PolarHBondContact O-N 3.33Å; A484-L486 PolarHBondContact O-N 2.95Å; A484-W520 HydrophobicContact CB-CB 4.1Å; A484-W520 HydrophobicContact CB-CD2 4.47Å; A484-W520 HydrophobicContact CB-CE3 4.06Å; A484-T521 CarbonylContact C-O 3.39Å; A484-T521 WeakPolarHBondContact CA-O 3.33Å; A484-T521 WeakPolarHBondContact CB-O 3.42Å; A484-V522 HydrophobicContact CB-CB 4.05Å
485	K	94.7	Very high	78.8	Confident	91 Å²	91	56.8 Å²	56.8	40%	0.396	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	122.3	166.1	-176.5	179.8	179.3	-178.2	0	108.9	M501 D502 W520 T521	K485-M501 WeakPolarHBondContact CE-O 3.44Å; K485-D502 IonicContact NZ-OD1 3.42Å; K485-D502 PolarHBondContact NZ-OD1 3.42Å; K485-W520 CarbonylContact O-C 3.58Å; K485-W520 VanDerWaalsContact O-CA 3.26Å; K485-W520 WeakPolarHBondContact O-CA 3.45Å; K485-T521 PolarHBondContact N-O 3.2Å; K485-T521 PolarHBondContact O-N 3.37Å
486	L	92.4	Very high	75.9	Confident	32 Å²	32	58.1 Å²	58.1	17%	0.168	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	138.4	178.5	-53.3	-175.5	0	0	0	110.7	I468 V471 A484 T518 W520	I468-L486 HydrophobicContact CG2-CD1 4.42Å; V471-L486 HydrophobicContact CB-CD2 3.85Å; V471-L486 HydrophobicContact CG2-CD2 3.62Å; A484-L486 PolarHBondContact O-N 2.95Å; L486-T518 HydrophobicContact CB-CG2 3.75Å; L486-T518 HydrophobicContact CD1-CG2 4.35Å; L486-T518 HydrophobicContact CD2-CG2 4.06Å; L486-T518 HydrophobicContact CG-CG2 4.26Å; L486-W520 HydrophobicContact CD2-CB 3.84Å
487	S	86.4	Confident	73.3	Confident	16 Å²	16	62.5 Å²	62.5	11%	0.112	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-59.5	154.6	166.7	70.5	0	0	0	0	110.4	M501 R510 L519	S487-M501 WeakPolarHBondContact CA-SD 3.25Å; S487-M501 WeakPolarHBondContact CB-SD 3.39Å; S487-R510 PolarHBondContact O-NH2 3.17Å; S487-L519 WeakPolarHBondContact CB-O 3.4Å; S487-L519 PolarHBondContact N-O 2.97Å; S487-L519 PolarHBondContact OG-N 2.81Å; S487-L519 PolarHBondContact OG-O 3Å
488	P	74.6	Confident	70.7	Confident	18 Å²	18	63.4 Å²	63.4	12%	0.117	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-47.2	149.5	174.6	-27.7	31.8	0	0	0	113.3	S490 D500 N503 Y505	P488-S490 PolarHBondContact O-N 3.21Å; P488-D500 WeakPolarHBondContact CD-O 3.38Å; P488-D500 WeakPolarHBondContact CG-O 3.15Å; P488-N503 HydrophobicContact CG-CB 4.37Å; P488-Y505 HydrophobicContact CB-CD2 4.26Å
489	A	66.6	Low	68.2	Low	8 Å²	8	68.3 Å²	68.3	7%	0.066	38%	0.383	C	S	.	.	P	Polyproline II helix	trans	-54.1	140.6	167.6	0	0	0	0	0	109	N509 R510 Q514	A489-N509 HydrophobicContact CB-CB 4.37Å; A489-R510 HydrophobicContact CB-CG 4.11Å; A489-Q514 VanDerWaalsContact CB-OE1 3.31Å
490	S	58.8	Low	65.5	Low	25 Å²	25	62.7 Å²	62.7	18%	0.175	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-57.7	127.9	176.7	-67.1	0	0	0	0	108.4	P488 A516	P488-S490 PolarHBondContact O-N 3.21Å; S490-A516 WeakPolarHBondContact OG-CB 3.44Å
491	P	48.4	Very low	63.1	Low	36 Å²	36	63.1 Å²	63.1	23%	0.234	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-59.8	141.6	-177.2	21.2	-29.7	0	0	0	109.1	A493 Q495	P491-A493 PolarHBondContact O-N 3.32Å; P491-Q495 WeakPolarHBondContact CB-O 3.32Å
492	P	43.4	Very low	60.4	Low	89 Å²	89	64.1 Å²	64.1	58%	0.578	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-53.2	134.8	161.2	-16.2	28.2	0	0	0	107.5	G494 Q495	P492-G494 PolarHBondContact O-N 2.96Å; P492-Q495 PolarHBondContact O-N 2.94Å
493	A	40.6	Very low	57.8	Low	51 Å²	51	63.5 Å²	63.5	42%	0.421	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-50.7	112.1	175	0	0	0	0	0	110.1	S242 L243 P491	S242-A493 WeakPolarHBondContact O-CB 3.27Å; L243-A493 HydrophobicContact CB-CB 4.38Å; P491-A493 PolarHBondContact O-N 3.32Å
494	G	40.1	Very low	55.2	Low	83 Å²	83	66.9 Å²	66.9	86%	0.856	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	130.4	-15.3	-178.4	0	0	0	0	0	115.7	P492	P492-G494 PolarHBondContact O-N 2.96Å
495	Q	43.9	Very low	53	Low	115 Å²	115	69.8 Å²	69.8	54%	0.537	40%	0.403	S	S	.	.	S	Bend	trans	-104.8	122.9	166.3	-73.2	175	6.3	0	0	107.8	P491 P492	P491-Q495 WeakPolarHBondContact CB-O 3.32Å; P492-Q495 PolarHBondContact O-N 2.94Å
496	G	37	Very low	50.8	Low	60 Å²	60	68.3 Å²	68.3	62%	0.619	40%	0.404	S	S	*	.			trans	-47.3	154.2	-171.4	0	0	0	0	0	113.8	V498	G496-V498 WeakPolarHBondContact O-CG2 3.19Å; G496-V498 PolarHBondContact O-N 2.91Å
497	Y	40.2	Very low	49.1	Very low	131 Å²	131	72.6 Å²	72.6	51%	0.514	43%	0.427	S	S	.	.			trans	-53.5	102	-176.7	-52.6	-84.9	0	0	0	111.1	E288 T499	E288-Y497 VanDerWaalsContact CD-OH 3.27Å; E288-Y497 PolarHBondContact OE1-OH 3.35Å; E288-Y497 PolarHBondContact OE2-OH 3.03Å; Y497-T499 PolarHBondContact O-N 3.04Å
498	V	36.5	Very low	47.7	Very low	42 Å²	42	79.9 Å²	79.9	26%	0.255	46%	0.456	S	S	.	.			trans	-88.8	96.7	169	-179.1	0	0	0	0	106.7	G496 D500 N503 Y505	G496-V498 WeakPolarHBondContact O-CG2 3.19Å; G496-V498 PolarHBondContact O-N 2.91Å; V498-D500 VanDerWaalsContact C-N 3.33Å; V498-D500 HydrophobicContact CG1-CB 4.41Å; V498-N503 HydrophobicContact CG1-CB 3.64Å; V498-N503 WeakPolarHBondContact CG1-ND2 3.46Å; V498-Y505 HydrophobicContact CB-CE2 4.25Å; V498-Y505 HydrophobicContact CG1-CE2 4.16Å; V498-Y505 HydrophobicContact CG2-CE2 4.11Å
499	T	43.8	Very low	47.3	Very low	119 Å²	119	82.6 Å²	82.6	73%	0.73	47%	0.47	S	S	*	.			trans	-90.6	2.6	176.3	55.5	0	0	0	0	113.1	Y497 M501	Y497-T499 PolarHBondContact O-N 3.04Å; T499-M501 PolarHBondContact O-N 2.81Å
500	D	38.2	Very low	47.5	Very low	84 Å²	84	82.8 Å²	82.8	45%	0.449	47%	0.469	S	S	.	.			trans	-79.4	114.2	-175.4	-173.2	1.7	0	0	0	111.6	P488 V498 D502 N503	P488-D500 WeakPolarHBondContact CD-O 3.38Å; P488-D500 WeakPolarHBondContact CG-O 3.15Å; V498-D500 VanDerWaalsContact C-N 3.33Å; V498-D500 HydrophobicContact CG1-CB 4.41Å; D500-D502 PolarHBondContact O-N 2.54Å; D500-D502 VanDerWaalsContact O-N 3.08Å; D500-D502 WeakPolarHBondContact OD1-CB 3.29Å; D500-D502 PolarHBondContact OD1-N 3.33Å; D500-N503 HydrophobicContact CB-CB 4.41Å; D500-N503 PolarHBondContact O-N 2.89Å; D500-N503 VanDerWaalsContact O-N 3.08Å
501	M	46.3	Very low	48.3	Very low	60 Å²	60	84.7 Å²	84.7	30%	0.296	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-17.1	173.3	-73.4	-70.2	-65.2	0	0	113.2	K485 S487 T499 T521	K485-M501 WeakPolarHBondContact CE-O 3.44Å; S487-M501 WeakPolarHBondContact CA-SD 3.25Å; S487-M501 WeakPolarHBondContact CB-SD 3.39Å; T499-M501 PolarHBondContact O-N 2.81Å; M501-T521 HydrophobicContact CE-CG2 4.43Å
502	D	43	Very low	49.8	Very low	103 Å²	103	87.6 Å²	87.6	55%	0.551	50%	0.499	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.8	-5.6	179.5	-64.8	-30.7	0	0	0	113.7	K485 D500 H504	K485-D502 IonicContact NZ-OD1 3.42Å; K485-D502 PolarHBondContact NZ-OD1 3.42Å; D500-D502 PolarHBondContact O-N 2.54Å; D500-D502 VanDerWaalsContact O-N 3.08Å; D500-D502 WeakPolarHBondContact OD1-CB 3.29Å; D500-D502 PolarHBondContact OD1-N 3.33Å; D502-H504 PolarHBondContact O-N 3.12Å; D502-H504 VanDerWaalsContact O-N 3.15Å; D502-H504 PolarHBondContact O-ND1 3.2Å
503	N	43.6	Very low	51.9	Low	62 Å²	62	86.5 Å²	86.5	33%	0.332	49%	0.485	S	S	.	.			trans	-77.2	107.5	178.6	-160.3	-8.7	0	0	0	111.9	P488 V498 D500 Y505	P488-N503 HydrophobicContact CG-CB 4.37Å; V498-N503 HydrophobicContact CG1-CB 3.64Å; V498-N503 WeakPolarHBondContact CG1-ND2 3.46Å; D500-N503 HydrophobicContact CB-CB 4.41Å; D500-N503 PolarHBondContact O-N 2.89Å; D500-N503 VanDerWaalsContact O-N 3.08Å; N503-Y505 VanDerWaalsContact C-N 3.27Å; N503-Y505 WeakPolarHBondContact ND2-CE2 3.08Å; N503-Y505 PolarHBondContact O-N 3.2Å
504	H	44.2	Very low	54.3	Low	171 Å²	171	84.7 Å²	84.7	79%	0.792	47%	0.468	S	S	*	.			trans	-74.6	72.1	179.1	-73	19	0	0	0	111.9	D502 S506	D502-H504 PolarHBondContact O-N 3.12Å; D502-H504 VanDerWaalsContact O-N 3.15Å; D502-H504 PolarHBondContact O-ND1 3.2Å; H504-S506 PolarHBondContact O-N 2.97Å
505	Y	49.7	Very low	56.8	Low	70 Å²	70	81.5 Å²	81.5	28%	0.275	43%	0.43	S	S	.	.			trans	-70.1	114.3	158.7	-75.7	-69.7	0	0	0	109	P488 V498 N503 N509	P488-Y505 HydrophobicContact CB-CD2 4.26Å; V498-Y505 HydrophobicContact CB-CE2 4.25Å; V498-Y505 HydrophobicContact CG1-CE2 4.16Å; V498-Y505 HydrophobicContact CG2-CE2 4.11Å; N503-Y505 VanDerWaalsContact C-N 3.27Å; N503-Y505 WeakPolarHBondContact ND2-CE2 3.08Å; N503-Y505 PolarHBondContact O-N 3.2Å; Y505-N509 WeakPolarHBondContact CD1-ND2 3.41Å
506	S	48.5	Very low	59.1	Low	60 Å²	60	76.2 Å²	76.2	42%	0.42	41%	0.406	S	S	.	.			trans	-53.6	152.7	-176.3	71.6	0	0	0	0	112.4	H504 K508 N509	H504-S506 PolarHBondContact O-N 2.97Å; S506-K508 PolarHBondContact O-N 2.84Å; S506-K508 WeakPolarHBondContact OG-CB 3.33Å; S506-N509 PolarHBondContact O-N 2.96Å
507	L	57.4	Low	61.9	Low	121 Å²	121	73.8 Å²	73.8	63%	0.634	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-44.8	-26.1	171.1	-74.6	165.6	0	0	0	113.3	I469 N509 R510	I469-L507 HydrophobicContact CB-CD2 4.32Å; L507-N509 PolarHBondContact O-N 3.19Å; L507-R510 PolarHBondContact O-N 3.35Å; L507-R510 VanDerWaalsContact O-N 3.07Å
508	K	56.5	Low	64.5	Low	170 Å²	170	67.7 Å²	67.7	74%	0.739	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-55.4	-33.8	175.5	-60.5	-176	174.6	-178.7	0	113	S506 R510 S511	S506-K508 PolarHBondContact O-N 2.84Å; S506-K508 WeakPolarHBondContact OG-CB 3.33Å; K508-R510 VanDerWaalsContact C-N 3.29Å; K508-R510 PolarHBondContact O-N 2.94Å; K508-S511 PolarHBondContact O-OG 3.43Å
509	N	65.8	Low	67.2	Low	74 Å²	74	66.3 Å²	66.3	40%	0.396	35%	0.346	S	S	.	.	G	3₁₀ helix	trans	-80.3	-8.4	-178.3	-68.9	-2.1	0	0	0	113.4	A489 Y505 S506 L507 Q514	A489-N509 HydrophobicContact CB-CB 4.37Å; Y505-N509 WeakPolarHBondContact CD1-ND2 3.41Å; S506-N509 PolarHBondContact O-N 2.96Å; L507-N509 PolarHBondContact O-N 3.19Å; N509-Q514 PolarHBondContact O-NE2 2.7Å
510	R	72.8	Confident	69.7	Low	13 Å²	13	60.7 Å²	60.7	5%	0.049	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-92.9	3.6	178.5	-67.2	171.2	172	-71.6	-9	113.4	G467 I468 I469 S487 A489 L507 K508 T518 S542	G467-R510 WeakPolarHBondContact CA-O 3.37Å; G467-R510 PolarHBondContact N-O 2.91Å; G467-R510 VanDerWaalsContact N-O 3.12Å; I468-R510 VanDerWaalsContact O-CD 3.22Å; I468-R510 WeakPolarHBondContact O-CD 3.24Å; I468-R510 PolarHBondContact O-NH1 2.6Å; I469-R510 HydrophobicContact CG2-CB 4.41Å; S487-R510 PolarHBondContact O-NH2 3.17Å; A489-R510 HydrophobicContact CB-CG 4.11Å; L507-R510 PolarHBondContact O-N 3.35Å; L507-R510 VanDerWaalsContact O-N 3.07Å; K508-R510 VanDerWaalsContact C-N 3.29Å; K508-R510 PolarHBondContact O-N 2.94Å; R510-T518 PolarHBondContact NH1-OG1 3.1Å; R510-S542 WeakPolarHBondContact O-CB 3.4Å
511	S	74.4	Confident	72.5	Confident	64 Å²	64	59.2 Å²	59.2	45%	0.448	31%	0.305	S	S	.	.	S	Bend	trans	-71.7	-42.8	-172.1	51.2	0	0	0	0	112.9	K508 S542	K508-S511 PolarHBondContact O-OG 3.43Å; S511-S542 PolarHBondContact O-OG 3.32Å; S511-S542 VanDerWaalsContact O-OG 3.08Å
512	V	80.7	Confident	75	Confident	97 Å²	97	57 Å²	57	59%	0.588	30%	0.295	S	S	*	.	S	Bend	trans	-142.5	160.6	-173.8	-61.9	0	0	0	0	111.6	G465 Q514	G465-V512 CarbonylContact O-C 3.43Å; G465-V512 VanDerWaalsContact O-C 3.31Å; V512-Q514 PolarHBondContact O-N 2.88Å; V512-Q514 VanDerWaalsContact O-N 3.17Å; V512-Q514 PolarHBondContact O-NE2 3.42Å
513	K	86.2	Confident	77.6	Confident	67 Å²	67	58.4 Å²	58.4	29%	0.291	30%	0.298	S	S	.	.			trans	54.5	32.2	174.7	-62	-174.9	159.5	-169.9	0	114.9	Q353 E355 G465 W515	Q353-K513 WeakPolarHBondContact O-CE 3.36Å; E355-K513 IonicContact OE2-NZ 3.73Å; G465-K513 PolarHBondContact O-N 2.94Å; K513-W515 VanDerWaalsContact C-N 3.32Å; K513-W515 HydrophobicContact CB-CZ2 4.12Å; K513-W515 HydrophobicContact CG-CZ2 3.86Å; K513-W515 PolarHBondContact O-N 3.15Å; K513-W515 VanDerWaalsContact O-N 3.1Å
514	Q	90.9	Very high	80.2	Confident	13 Å²	13	55.4 Å²	55.4	6%	0.061	28%	0.282	C	S	.	.			trans	-84.8	80	173.2	-64.3	-56.8	-66.2	0	0	109.6	G465 G467 A489 N509 V512	G465-Q514 PolarHBondContact O-N 3.24Å; G467-Q514 VanDerWaalsContact CA-CB 3.47Å; G467-Q514 VanDerWaalsContact CA-CG 3.48Å; A489-Q514 VanDerWaalsContact CB-OE1 3.31Å; N509-Q514 PolarHBondContact O-NE2 2.7Å; V512-Q514 PolarHBondContact O-N 2.88Å; V512-Q514 VanDerWaalsContact O-N 3.17Å; V512-Q514 PolarHBondContact O-NE2 3.42Å
515	W	92.8	Very high	82.6	Confident	16 Å²	16	50.8 Å²	50.8	6%	0.061	27%	0.267	C	S	.	.			trans	-81.7	-16.5	-172.7	-57.6	136.5	0	0	0	114.8	V244 S245 T246 Q353 E355 P380 G465 K513	V244-W515 WeakPolarHBondContact O-CB 3.24Å; S245-W515 WeakPolarHBondContact CA-O 3.35Å; S245-W515 PolarHBondContact OG-O 3.29Å; T246-W515 PolarHBondContact N-O 2.61Å; Q353-W515 WeakPolarHBondContact O-CZ2 3.46Å; E355-W515 PolarHBondContact OE2-NE1 3.13Å; P380-W515 HydrophobicContact CB-CB 3.98Å; P380-W515 HydrophobicContact CB-CD2 3.28Å; P380-W515 HydrophobicContact CB-CE3 3.42Å; P380-W515 VanDerWaalsContact CB-CE3 3.42Å; P380-W515 HydrophobicContact CB-CG 3.52Å; P380-W515 HydrophobicContact CB-CH2 4.48Å; P380-W515 HydrophobicContact CB-CZ2 4.36Å; P380-W515 HydrophobicContact CB-CZ3 4.01Å; P380-W515 HydrophobicContact CG-CD2 4.42Å; P380-W515 HydrophobicContact CG-CG 4.45Å; P380-W515 WeakPolarHBondContact O-CZ3 3.21Å; G465-W515 VanDerWaalsContact CA-CE3 3.46Å; K513-W515 VanDerWaalsContact C-N 3.32Å; K513-W515 HydrophobicContact CB-CZ2 4.12Å; K513-W515 HydrophobicContact CG-CZ2 3.86Å; K513-W515 PolarHBondContact O-N 3.15Å; K513-W515 VanDerWaalsContact O-N 3.1Å
516	A	93.7	Very high	84.8	Confident	4 Å²	4	48 Å²	48	3%	0.033	26%	0.257	C	S	.	.	S	Bend	trans	-108.8	157.8	177	0	0	0	0	0	111.9	V244 T246 T286 S490	V244-A516 HydrophobicContact CG1-CB 3.78Å; T246-A516 VanDerWaalsContact OG1-CA 3.28Å; T246-A516 WeakPolarHBondContact OG1-CA 3.04Å; T286-A516 HydrophobicContact CG2-CB 3.78Å; S490-A516 WeakPolarHBondContact OG-CB 3.44Å
517	W	94.9	Very high	86.9	Confident	8 Å²	8	48.5 Å²	48.5	3%	0.03	26%	0.259	C	S	.	.			trans	-56.4	159.7	174.5	59.3	10.7	0	0	0	112	I182 N185 P186 T246 I284 T286 Y459 A460 F461 L519	I182-W517 HydrophobicContact CB-CH2 4.06Å; I182-W517 HydrophobicContact CB-CZ3 4.35Å; I182-W517 HydrophobicContact CD1-CH2 4.38Å; I182-W517 HydrophobicContact CD1-CZ3 4.04Å; I182-W517 HydrophobicContact CG1-CH2 3.94Å; I182-W517 HydrophobicContact CG1-CZ3 4.1Å; I182-W517 HydrophobicContact CG2-CE3 4.09Å; I182-W517 HydrophobicContact CG2-CH2 3.3Å; I182-W517 HydrophobicContact CG2-CZ2 3.87Å; I182-W517 HydrophobicContact CG2-CZ3 3.42Å; I182-W517 VanDerWaalsContact CG2-CZ3 3.42Å; N185-W517 WeakPolarHBondContact O-CZ2 2.93Å; P186-W517 PolarHBondContact O-NE1 3.34Å; T246-W517 PolarHBondContact OG1-N 2.98Å; I284-W517 HydrophobicContact CD1-CE3 4.43Å; I284-W517 HydrophobicContact CG1-CE3 4.34Å; I284-W517 HydrophobicContact CG2-CZ3 4.46Å; T286-W517 VanDerWaalsContact OG1-CD1 3.3Å; T286-W517 PolarHBondContact OG1-NE1 2.83Å; T286-W517 VanDerWaalsContact OG1-NE1 3.1Å; Y459-W517 HydrophobicContact CD1-CE3 4.36Å; Y459-W517 HydrophobicContact CD1-CZ3 4.39Å; Y459-W517 HydrophobicContact CG-CE3 4.1Å; A460-W517 CarbonylContact O-C 2.8Å; A460-W517 WeakPolarHBondContact O-CA 3.26Å; A460-W517 WeakPolarHBondContact O-CB 3.18Å; F461-W517 HydrophobicContact CB-CB 4.39Å; F461-W517 HydrophobicContact CD2-CB 4.49Å; W517-L519 HydrophobicContact CD2-CD2 4.2Å; W517-L519 HydrophobicContact CG-CD2 4.42Å
518	T	94	Very high	88.4	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.018	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	119.8	166.3	-65.6	0	0	0	0	107.4	Y459 A460 I468 L486 R510	Y459-T518 CarbonylContact C-O 3.41Å; Y459-T518 WeakPolarHBondContact CA-O 3.39Å; A460-T518 PolarHBondContact N-O 3.1Å; A460-T518 PolarHBondContact O-N 3.36Å; I468-T518 HydrophobicContact CB-CG2 4.4Å; L486-T518 HydrophobicContact CB-CG2 3.75Å; L486-T518 HydrophobicContact CD1-CG2 4.35Å; L486-T518 HydrophobicContact CD2-CG2 4.06Å; L486-T518 HydrophobicContact CG-CG2 4.26Å; R510-T518 PolarHBondContact NH1-OG1 3.1Å
519	L	94.8	Very high	90.1	Very high	13 Å²	13	48.9 Å²	48.9	7%	0.068	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	150.8	169.4	-59.2	-176.3	0	0	0	108.8	I182 P186 G458 S487 W517	I182-L519 HydrophobicContact CG2-CD2 3.98Å; P186-L519 HydrophobicContact CB-CD1 4.06Å; P186-L519 HydrophobicContact CG-CD1 3.89Å; G458-L519 WeakPolarHBondContact O-CA 3.42Å; S487-L519 WeakPolarHBondContact CB-O 3.4Å; S487-L519 PolarHBondContact N-O 2.97Å; S487-L519 PolarHBondContact OG-N 2.81Å; S487-L519 PolarHBondContact OG-O 3Å; W517-L519 HydrophobicContact CD2-CD2 4.2Å; W517-L519 HydrophobicContact CG-CD2 4.42Å
520	W	95.7	Very high	91.4	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.008	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	154.6	-179.1	59.4	-99.2	0	0	0	111.6	V438 I439 L456 S457 G458 Y459 V471 V473 A484 K485 L486 V522 C537	V438-W520 WeakPolarHBondContact O-CZ2 3.42Å; I439-W520 HydrophobicContact CB-CH2 4.17Å; I439-W520 HydrophobicContact CB-CZ2 4.46Å; I439-W520 HydrophobicContact CG1-CH2 3.87Å; I439-W520 HydrophobicContact CG1-CZ2 4.13Å; I439-W520 HydrophobicContact CG2-CH2 4.09Å; L456-W520 HydrophobicContact CB-CZ3 4.18Å; S457-W520 CarbonylContact C-O 3.54Å; S457-W520 VanDerWaalsContact CA-O 3.23Å; S457-W520 WeakPolarHBondContact CA-O 3.3Å; S457-W520 WeakPolarHBondContact CB-O 3.4Å; G458-W520 VanDerWaalsContact C-NE1 3.32Å; G458-W520 VanDerWaalsContact CA-CE2 3.47Å; G458-W520 PolarHBondContact N-O 3.17Å; G458-W520 PolarHBondContact O-N 2.96Å; Y459-W520 VanDerWaalsContact C-CD1 3.44Å; Y459-W520 PolarHBondContact O-NE1 3.49Å; V471-W520 HydrophobicContact CB-CB 4.41Å; V471-W520 HydrophobicContact CB-CG 4.16Å; V471-W520 HydrophobicContact CG1-CD2 3.83Å; V471-W520 HydrophobicContact CG1-CE3 4.49Å; V471-W520 HydrophobicContact CG1-CG 3.83Å; V471-W520 HydrophobicContact CG1-CZ2 4.48Å; V471-W520 HydrophobicContact CG2-CB 4.43Å; V471-W520 HydrophobicContact CG2-CG 4.17Å; V473-W520 HydrophobicContact CG2-CE3 4.41Å; V473-W520 HydrophobicContact CG2-CH2 3.97Å; V473-W520 HydrophobicContact CG2-CZ3 3.81Å; A484-W520 HydrophobicContact CB-CB 4.1Å; A484-W520 HydrophobicContact CB-CD2 4.47Å; A484-W520 HydrophobicContact CB-CE3 4.06Å; K485-W520 CarbonylContact O-C 3.58Å; K485-W520 VanDerWaalsContact O-CA 3.26Å; K485-W520 WeakPolarHBondContact O-CA 3.45Å; L486-W520 HydrophobicContact CD2-CB 3.84Å; W520-V522 HydrophobicContact CZ3-CG1 4.13Å; W520-C537 HydrophobicContact CH2-CB 4.39Å; W520-C537 HydrophobicContact CZ2-CB 4.11Å
521	T	97	Very high	92.4	Very high	52 Å²	52	55.9 Å²	55.9	32%	0.319	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	146.9	176.8	56.9	0	0	0	0	109.9	L456 A484 K485 M501	L456-T521 CarbonylContact O-C 3.56Å; L456-T521 WeakPolarHBondContact O-CA 3.45Å; A484-T521 CarbonylContact C-O 3.39Å; A484-T521 WeakPolarHBondContact CA-O 3.33Å; A484-T521 WeakPolarHBondContact CB-O 3.42Å; K485-T521 PolarHBondContact N-O 3.2Å; K485-T521 PolarHBondContact O-N 3.37Å; M501-T521 HydrophobicContact CE-CG2 4.43Å
522	V	97.8	Very high	93.5	Very high	14 Å²	14	57.9 Å²	57.9	9%	0.085	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	145.7	173.9	66.4	0	0	0	0	109.4	S455 L456 V473 A484 W520 I524	S455-V522 WeakPolarHBondContact CA-O 3.16Å; L456-V522 HydrophobicContact CB-CG1 3.93Å; L456-V522 HydrophobicContact CD1-CG1 4.12Å; L456-V522 PolarHBondContact N-O 3.02Å; L456-V522 PolarHBondContact O-N 2.99Å; V473-V522 HydrophobicContact CB-CG1 3.97Å; V473-V522 HydrophobicContact CG1-CG1 4.36Å; V473-V522 HydrophobicContact CG2-CG1 3.72Å; A484-V522 HydrophobicContact CB-CB 4.05Å; W520-V522 HydrophobicContact CZ3-CG1 4.13Å; V522-I524 HydrophobicContact CG1-CD1 4.18Å; V522-I524 HydrophobicContact CG1-CG1 4.13Å; V522-I524 HydrophobicContact CG2-CG1 4Å
523	E	97.9	Very high	94.3	Very high	132 Å²	132	53.7 Å²	53.7	62%	0.617	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	123.1	168.5	-172.6	174.5	179.8	0	0	108.5	S453	S453-E523 WeakPolarHBondContact CB-OE1 3.38Å; S453-E523 PolarHBondContact OG-OE1 3.42Å
524	I	97.5	Very high	94.8	Very high	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	122.7	-176.3	-62.5	-176.2	0	0	0	109.3	S453 V454 L456 V473 Y482 V522 I526 F535	S453-I524 CarbonylContact C-O 3.53Å; S453-I524 VanDerWaalsContact CA-O 3.25Å; S453-I524 WeakPolarHBondContact CA-O 3.28Å; V454-I524 HydrophobicContact CG1-CB 4.3Å; V454-I524 PolarHBondContact N-O 2.99Å; V454-I524 PolarHBondContact O-N 3.44Å; L456-I524 HydrophobicContact CD1-CB 4.25Å; L456-I524 HydrophobicContact CD1-CD1 3.73Å; L456-I524 HydrophobicContact CD1-CG1 3.94Å; V473-I524 HydrophobicContact CB-CD1 3.88Å; V473-I524 HydrophobicContact CG1-CD1 3.5Å; V473-I524 VanDerWaalsContact CG1-CD1 3.5Å; Y482-I524 HydrophobicContact CD2-CB 4.48Å; Y482-I524 HydrophobicContact CD2-CD1 3.91Å; Y482-I524 HydrophobicContact CD2-CG1 3.92Å; Y482-I524 HydrophobicContact CD2-CG2 3.9Å; Y482-I524 HydrophobicContact CE2-CG1 4.5Å; Y482-I524 HydrophobicContact CE2-CG2 3.59Å; Y482-I524 HydrophobicContact CG-CD1 4.37Å; Y482-I524 HydrophobicContact CG-CG1 4.02Å; V522-I524 HydrophobicContact CG1-CD1 4.18Å; V522-I524 HydrophobicContact CG1-CG1 4.13Å; V522-I524 HydrophobicContact CG2-CG1 4Å; I524-I526 HydrophobicContact CG2-CG2 4.46Å; I524-F535 HydrophobicContact CB-CE1 4.36Å; I524-F535 HydrophobicContact CD1-CD1 4Å; I524-F535 HydrophobicContact CD1-CE1 4.01Å; I524-F535 HydrophobicContact CG2-CE1 4.15Å
525	P	96.5	Very high	95.2	Very high	73 Å²	73	52.9 Å²	52.9	47%	0.474	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.3	138	171.6	28.9	-33.5	0	0	0	110.4	G452 Y482	G452-P525 WeakPolarHBondContact O-CA 3.1Å; Y482-P525 HydrophobicContact CE1-CG 3.92Å
526	I	94.8	Very high	95.4	Very high	12 Å²	12	52.1 Å²	52.1	6%	0.062	26%	0.257	C	S	.	.			trans	-130.9	146.4	178.4	57.8	174.1	0	0	0	110.2	G452 V454 I524 I530 F535 F572	G452-I526 CarbonylContact C-O 3.52Å; G452-I526 PolarHBondContact O-N 2.88Å; V454-I526 HydrophobicContact CB-CD1 4.38Å; V454-I526 HydrophobicContact CG1-CD1 4.46Å; V454-I526 HydrophobicContact CG1-CG2 4.02Å; I524-I526 HydrophobicContact CG2-CG2 4.46Å; I526-I530 HydrophobicContact CB-CG2 4.13Å; I526-I530 HydrophobicContact CD1-CG2 4.2Å; I526-I530 HydrophobicContact CG1-CG2 4.48Å; I526-F535 HydrophobicContact CG2-CZ 4.18Å; I526-F572 HydrophobicContact CD1-CD1 3.68Å; I526-F572 HydrophobicContact CD1-CD2 4.35Å; I526-F572 HydrophobicContact CD1-CE1 3.22Å; I526-F572 HydrophobicContact CD1-CE2 3.97Å; I526-F572 HydrophobicContact CD1-CG 4.22Å; I526-F572 HydrophobicContact CD1-CZ 3.38Å
527	P	93.3	Very high	95.7	Very high	71 Å²	71	52 Å²	52	46%	0.461	26%	0.256	S	S	.	.			trans	-58.7	140	174.4	-22	32.8	0	0	0	111.3	N450 D529 I530	N450-P527 PolarHBondContact ND2-O 3.29Å; P527-D529 VanDerWaalsContact CB-OD1 3.29Å; P527-D529 WeakPolarHBondContact CB-OD1 3.48Å; P527-D529 PolarHBondContact O-N 3.21Å; P527-I530 HydrophobicContact CB-CB 4.26Å; P527-I530 HydrophobicContact CG-CD1 4.18Å; P527-I530 WeakPolarHBondContact O-CB 3.48Å; P527-I530 VanDerWaalsContact O-CG2 3.23Å; P527-I530 WeakPolarHBondContact O-CG2 3.32Å; P527-I530 PolarHBondContact O-N 3.05Å; P527-I530 VanDerWaalsContact O-N 3.12Å
528	K	89.4	Confident	95.8	Very high	164 Å²	164	52.3 Å²	52.3	71%	0.713	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22.8	-176.9	-68.2	-174.2	178	-176.9	0	113.9	N450	N450-K528 VanDerWaalsContact ND2-C 3.28Å; N450-K528 PolarHBondContact ND2-O 3.42Å
529	D	91	Very high	96.1	Very high	135 Å²	135	52.1 Å²	52.1	72%	0.722	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.9	-3.7	179.6	63.1	-42.7	0	0	0	113.2	P527 R531	P527-D529 VanDerWaalsContact CB-OD1 3.29Å; P527-D529 WeakPolarHBondContact CB-OD1 3.48Å; P527-D529 PolarHBondContact O-N 3.21Å; D529-R531 PolarHBondContact O-N 3.12Å
530	I	93.5	Very high	96.2	Very high	51 Å²	51	52.4 Å²	52.4	26%	0.262	26%	0.26	S	S	.	.			trans	-65.8	136.8	178.6	-149.7	151.2	0	0	0	110.1	N450 I526 P527 V533 F572	N450-I530 PolarHBondContact ND2-O 3.36Å; I526-I530 HydrophobicContact CB-CG2 4.13Å; I526-I530 HydrophobicContact CD1-CG2 4.2Å; I526-I530 HydrophobicContact CG1-CG2 4.48Å; P527-I530 HydrophobicContact CB-CB 4.26Å; P527-I530 HydrophobicContact CG-CD1 4.18Å; P527-I530 WeakPolarHBondContact O-CB 3.48Å; P527-I530 VanDerWaalsContact O-CG2 3.23Å; P527-I530 WeakPolarHBondContact O-CG2 3.32Å; P527-I530 PolarHBondContact O-N 3.05Å; P527-I530 VanDerWaalsContact O-N 3.12Å; I530-V533 HydrophobicContact CB-CG2 4.48Å; I530-V533 HydrophobicContact CD1-CG2 3.43Å; I530-V533 VanDerWaalsContact CD1-CG2 3.43Å; I530-V533 HydrophobicContact CG1-CG2 3.72Å; I530-V533 HydrophobicContact CG2-CG2 3.9Å; I530-F572 HydrophobicContact CG2-CD2 3.95Å; I530-F572 HydrophobicContact CG2-CE2 4.42Å; I530-F572 HydrophobicContact CG2-CG 4.36Å; I530-F572 WeakPolarHBondContact O-CB 3.42Å
531	R	94.4	Very high	96.2	Very high	183 Å²	183	52.3 Å²	52.3	69%	0.691	26%	0.26	S	S	*	.			trans	-106.4	-25.2	-179.8	-65.3	-172.9	178	-170.4	-2.1	113.3	D529 K571 F572	D529-R531 PolarHBondContact O-N 3.12Å; R531-K571 CarbonylContact O-C 3.55Å; R531-K571 WeakPolarHBondContact O-CA 3.42Å; R531-F572 PolarHBondContact O-N 3.05Å
532	E	96.4	Very high	96.1	Very high	106 Å²	106	51.4 Å²	51.4	50%	0.495	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154	139.8	-178	-172.8	165.1	-149.3	0	0	109.7	I570	E532-I570 CarbonylContact C-O 3.51Å; E532-I570 VanDerWaalsContact CA-O 3.27Å; E532-I570 WeakPolarHBondContact CA-O 3.38Å
533	V	97.1	Very high	95.9	Very high	8 Å²	8	54.2 Å²	54.2	5%	0.048	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	130.8	177.6	-177	0	0	0	0	109.2	S475 I530 F535 I570 F572	S475-V533 WeakPolarHBondContact O-CG1 3.49Å; I530-V533 HydrophobicContact CB-CG2 4.48Å; I530-V533 HydrophobicContact CD1-CG2 3.43Å; I530-V533 VanDerWaalsContact CD1-CG2 3.43Å; I530-V533 HydrophobicContact CG1-CG2 3.72Å; I530-V533 HydrophobicContact CG2-CG2 3.9Å; V533-F535 HydrophobicContact CB-CD2 4.26Å; V533-F535 HydrophobicContact CB-CE2 3.6Å; V533-F535 HydrophobicContact CB-CZ 3.81Å; V533-F535 HydrophobicContact CG1-CD1 4.22Å; V533-F535 HydrophobicContact CG1-CD2 4Å; V533-F535 HydrophobicContact CG1-CE1 3.81Å; V533-F535 HydrophobicContact CG1-CE2 3.56Å; V533-F535 HydrophobicContact CG1-CG 4.3Å; V533-F535 HydrophobicContact CG1-CZ 3.42Å; V533-F535 VanDerWaalsContact CG1-CZ 3.42Å; V533-F535 HydrophobicContact CG2-CZ 4.42Å; V533-I570 PolarHBondContact N-O 2.97Å; V533-I570 PolarHBondContact O-N 2.91Å; V533-F572 HydrophobicContact CB-CE2 4Å; V533-F572 HydrophobicContact CG2-CD2 4.2Å; V533-F572 HydrophobicContact CG2-CE2 3.69Å
534	E	97.8	Very high	95.9	Very high	64 Å²	64	56.6 Å²	56.6	30%	0.299	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	120	163.3	-175.2	-173.1	80.7	0	0	108.4	S475 V536 R567 I568	S475-E534 CarbonylContact C-O 3.53Å; E534-V536 HydrophobicContact CG-CG1 4.12Å; E534-R567 HydrophobicContact CG-CB 4.49Å; E534-R567 IonicContact OE1-NH1 3.42Å; E534-R567 PolarHBondContact OE1-NH1 2.84Å; E534-R567 IonicContact OE2-NH1 2.59Å; E534-I568 WeakPolarHBondContact CA-O 3.42Å
535	F	98.5	Very high	95.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	136.3	169.6	-65.6	-82.6	0	0	0	110.4	I439 V454 L456 V473 S474 I524 I526 V533 R567 I568 I570 F572	I439-F535 HydrophobicContact CD1-CB 3.94Å; V454-F535 HydrophobicContact CG1-CE1 3.88Å; V454-F535 HydrophobicContact CG1-CE2 4.16Å; V454-F535 HydrophobicContact CG1-CZ 3.4Å; V454-F535 VanDerWaalsContact CG1-CZ 3.4Å; L456-F535 HydrophobicContact CD1-CD1 4.15Å; L456-F535 HydrophobicContact CD1-CE1 4.12Å; L456-F535 HydrophobicContact CD2-CB 3.75Å; L456-F535 HydrophobicContact CD2-CD1 3.79Å; L456-F535 HydrophobicContact CD2-CD2 4.06Å; L456-F535 HydrophobicContact CD2-CE1 4.43Å; L456-F535 HydrophobicContact CD2-CG 3.59Å; V473-F535 HydrophobicContact CG1-CD1 4.44Å; S474-F535 CarbonylContact O-C 3.02Å; S474-F535 VanDerWaalsContact O-CA 3.27Å; S474-F535 WeakPolarHBondContact O-CA 3.34Å; I524-F535 HydrophobicContact CB-CE1 4.36Å; I524-F535 HydrophobicContact CD1-CD1 4Å; I524-F535 HydrophobicContact CD1-CE1 4.01Å; I524-F535 HydrophobicContact CG2-CE1 4.15Å; I526-F535 HydrophobicContact CG2-CZ 4.18Å; V533-F535 HydrophobicContact CB-CD2 4.26Å; V533-F535 HydrophobicContact CB-CE2 3.6Å; V533-F535 HydrophobicContact CB-CZ 3.81Å; V533-F535 HydrophobicContact CG1-CD1 4.22Å; V533-F535 HydrophobicContact CG1-CD2 4Å; V533-F535 HydrophobicContact CG1-CE1 3.81Å; V533-F535 HydrophobicContact CG1-CE2 3.56Å; V533-F535 HydrophobicContact CG1-CG 4.3Å; V533-F535 HydrophobicContact CG1-CZ 3.42Å; V533-F535 VanDerWaalsContact CG1-CZ 3.42Å; V533-F535 HydrophobicContact CG2-CZ 4.42Å; F535-R567 WeakPolarHBondContact O-CA 3.49Å; F535-I568 HydrophobicContact CB-CG1 3.94Å; F535-I568 PolarHBondContact N-O 2.88Å; F535-I568 PolarHBondContact O-N 2.87Å; F535-I570 HydrophobicContact CD2-CB 4.24Å; F535-I570 HydrophobicContact CD2-CG1 3.9Å; F535-I570 HydrophobicContact CE2-CB 4.04Å; F535-I570 HydrophobicContact CE2-CG1 4.11Å; F535-F572 HydrophobicContact CE2-CE2 4.34Å; F535-F572 HydrophobicContact CE2-CZ 4.24Å; F535-F572 HydrophobicContact CZ-CZ 4.43Å
536	V	98.4	Very high	95.9	Very high	0 Å²	0	61.1 Å²	61.1	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	143.7	174	-53.8	0	0	0	0	111.4	V473 S474 W481 E534 W565 H566 R567	V473-V536 CarbonylContact C-O 3.54Å; V473-V536 VanDerWaalsContact CA-O 3.26Å; V473-V536 WeakPolarHBondContact CA-O 3.27Å; V473-V536 WeakPolarHBondContact CG1-O 3.21Å; S474-V536 PolarHBondContact N-O 2.92Å; S474-V536 PolarHBondContact O-N 3.02Å; W481-V536 HydrophobicContact CH2-CG2 4.02Å; W481-V536 HydrophobicContact CZ3-CG2 4.18Å; E534-V536 HydrophobicContact CG-CG1 4.12Å; V536-W565 HydrophobicContact CG2-CE3 4.21Å; V536-H566 WeakPolarHBondContact CA-O 3.37Å; V536-R567 HydrophobicContact CB-CG 4.48Å; V536-R567 HydrophobicContact CG1-CB 4.04Å; V536-R567 HydrophobicContact CG1-CG 3.63Å
537	C	98.7	Very high	96.1	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	148.5	174.6	75.4	0	0	0	0	113.2	S437 I439 R472 V473 W520 W565 H566	S437-C537 PolarHBondContact OG-SG 3.36Å; I439-C537 HydrophobicContact CD1-CB 4.18Å; I439-C537 HydrophobicContact CG1-CB 3.82Å; R472-C537 CarbonylContact O-C 3.49Å; R472-C537 VanDerWaalsContact O-CA 3.28Å; R472-C537 WeakPolarHBondContact O-CA 3.38Å; V473-C537 HydrophobicContact CG2-CB 4.03Å; W520-C537 HydrophobicContact CH2-CB 4.39Å; W520-C537 HydrophobicContact CZ2-CB 4.11Å; C537-W565 WeakPolarHBondContact O-CA 3.27Å; C537-H566 PolarHBondContact N-O 2.94Å; C537-H566 VanDerWaalsContact N-O 3.11Å
538	S	98.6	Very high	96.2	Very high	15 Å²	15	58.9 Å²	58.9	11%	0.105	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	135.5	177.2	-175.2	0	0	0	0	110.7	R472 W565	R472-S538 PolarHBondContact N-O 2.81Å; R472-S538 PolarHBondContact O-N 2.88Å; S538-W565 PolarHBondContact OG-NE1 3.19Å
539	A	98.5	Very high	96.5	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	155.2	178.2	0	0	0	0	0	112.6	V435 A460 I468 S470 V471	V435-A539 HydrophobicContact CG2-CB 3.88Å; A460-A539 HydrophobicContact CB-CB 3.95Å; I468-A539 HydrophobicContact CD1-CB 4.42Å; I468-A539 HydrophobicContact CG2-CB 4.37Å; S470-A539 WeakPolarHBondContact O-CA 3.43Å; V471-A539 HydrophobicContact CG2-CB 4.05Å
540	V	97.7	Very high	96.6	Very high	18 Å²	18	51.7 Å²	51.7	11%	0.109	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	132.5	172.6	-171.2	0	0	0	0	109	I469 S470 Y544 N545 T546	I469-V540 HydrophobicContact CD1-CG1 4.01Å; I469-V540 HydrophobicContact CG1-CB 4.13Å; I469-V540 HydrophobicContact CG1-CG1 4.04Å; I469-V540 WeakPolarHBondContact CG1-O 3.23Å; I469-V540 PolarHBondContact N-O 3.39Å; S470-V540 PolarHBondContact N-O 2.96Å; S470-V540 PolarHBondContact O-N 2.86Å; V540-Y544 HydrophobicContact CG1-CD1 4.16Å; V540-N545 WeakPolarHBondContact CA-O 3.13Å; V540-T546 HydrophobicContact CG1-CG2 4.49Å; V540-T546 HydrophobicContact CG2-CG2 4.21Å
541	D	96.3	Very high	96.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	175.7	176.4	78	12.8	0	0	0	113.4	V435 S462 R466 G467 I469 S543 Y544 N545	V435-D541 HydrophobicContact CB-CB 4.22Å; V435-D541 HydrophobicContact CG2-CB 4.1Å; S462-D541 PolarHBondContact OG-OD2 2.9Å; R466-D541 HydrophobicContact CB-CB 4.09Å; R466-D541 WeakPolarHBondContact CD-OD2 3.34Å; R466-D541 IonicContact CZ-OD2 3.52Å; R466-D541 IonicContact NE-OD2 2.64Å; R466-D541 PolarHBondContact NE-OD2 3.17Å; G467-D541 CarbonylContact O-C 3.58Å; G467-D541 VanDerWaalsContact O-C 3.3Å; G467-D541 WeakPolarHBondContact O-CA 3.09Å; I469-D541 WeakPolarHBondContact CD1-O 3.48Å; I469-D541 WeakPolarHBondContact CG1-O 3.42Å; D541-S543 PolarHBondContact O-N 3.34Å; D541-S543 VanDerWaalsContact O-N 3.14Å; D541-S543 WeakPolarHBondContact OD1-CA 3.29Å; D541-S543 WeakPolarHBondContact OD1-CB 3.29Å; D541-S543 PolarHBondContact OD1-N 3.14Å; D541-Y544 WeakPolarHBondContact O-CA 3.47Å; D541-Y544 PolarHBondContact O-N 2.87Å; D541-Y544 PolarHBondContact OD1-N 2.9Å; D541-N545 PolarHBondContact N-O 2.72Å; D541-N545 WeakPolarHBondContact OD1-CB 3.48Å; D541-N545 PolarHBondContact OD1-N 2.63Å; D541-N545 PolarHBondContact OD1-ND2 3.48Å; D541-N545 PolarHBondContact OD2-ND2 2.83Å
542	S	93.7	Very high	96.1	Very high	34 Å²	34	43.8 Å²	43.8	24%	0.238	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-11.6	-177.5	61.2	0	0	0	0	114.4	R466 G467 R510 S511	R466-S542 WeakPolarHBondContact CA-OG 3.09Å; G467-S542 PolarHBondContact N-OG 3.13Å; G467-S542 PolarHBondContact O-N 3.16Å; R510-S542 WeakPolarHBondContact O-CB 3.4Å; S511-S542 PolarHBondContact O-OG 3.32Å; S511-S542 VanDerWaalsContact O-OG 3.08Å
543	S	95	Very high	95.6	Very high	73 Å²	73	41.9 Å²	41.9	51%	0.51	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.4	10.7	170.4	-173.3	0	0	0	0	112.2	D541 N545	D541-S543 PolarHBondContact O-N 3.34Å; D541-S543 VanDerWaalsContact O-N 3.14Å; D541-S543 WeakPolarHBondContact OD1-CA 3.29Å; D541-S543 WeakPolarHBondContact OD1-CB 3.29Å; D541-S543 PolarHBondContact OD1-N 3.14Å; S543-N545 PolarHBondContact O-N 3.18Å
544	Y	96.2	Very high	95.3	Very high	182 Å²	182	42.4 Å²	42.4	71%	0.714	24%	0.242	S	C	*	.			trans	58	23.3	-175.7	-68.1	-91.7	0	0	0	114.4	I469 V540 D541	I469-Y544 HydrophobicContact CD1-CD1 4.1Å; I469-Y544 HydrophobicContact CD1-CE1 3.8Å; I469-Y544 HydrophobicContact CD1-CE2 4.42Å; V540-Y544 HydrophobicContact CG1-CD1 4.16Å; D541-Y544 WeakPolarHBondContact O-CA 3.47Å; D541-Y544 PolarHBondContact O-N 2.87Å; D541-Y544 PolarHBondContact OD1-N 2.9Å
545	N	97.7	Very high	95	Very high	75 Å²	75	40.1 Å²	40.1	40%	0.401	23%	0.232	S	C	.	.			trans	-66.2	147.4	166.9	-64.1	-63.1	0	0	0	109.3	V435 V540 D541 S543	V435-N545 HydrophobicContact CG1-CB 3.92Å; V540-N545 WeakPolarHBondContact CA-O 3.13Å; D541-N545 PolarHBondContact N-O 2.72Å; D541-N545 WeakPolarHBondContact OD1-CB 3.48Å; D541-N545 PolarHBondContact OD1-N 2.63Å; D541-N545 PolarHBondContact OD1-ND2 3.48Å; D541-N545 PolarHBondContact OD2-ND2 2.83Å; S543-N545 PolarHBondContact O-N 3.18Å
546	T	97.6	Very high	94.7	Very high	92 Å²	92	40.1 Å²	40.1	56%	0.564	23%	0.232	S	C	*	.	B	Isolated β-bridge	trans	-127.6	167	-180	61.7	0	0	0	0	111.2	V540	V540-T546 HydrophobicContact CG1-CG2 4.49Å; V540-T546 HydrophobicContact CG2-CG2 4.21Å
547	Q	98.1	Very high	94.1	Very high	5 Å²	5	41.1 Å²	41.1	2%	0.023	24%	0.237	C	C	.	.			trans	-89.5	139.9	173.9	-70.4	-179.8	-103.6	0	0	111.4	V435 S437 N563 C564 W565	V435-Q547 HydrophobicContact CG1-CG 4.24Å; V435-Q547 WeakPolarHBondContact O-CG 3.4Å; S437-Q547 PolarHBondContact OG-OE1 3.29Å; Q547-N563 VanDerWaalsContact CB-O 3.23Å; Q547-N563 WeakPolarHBondContact CB-O 3.19Å; Q547-N563 WeakPolarHBondContact CG-O 3.41Å; Q547-N563 PolarHBondContact NE2-O 2.96Å; Q547-C564 PolarHBondContact NE2-O 3.47Å; Q547-W565 PolarHBondContact O-NE1 3.12Å
548	P	96.8	Very high	93.5	Very high	31 Å²	31	42.8 Å²	42.8	20%	0.201	24%	0.243	C	C	.	.			trans	-68.4	148.6	173.2	28.5	-32.9	0	0	0	111.2	S550 A553 T554 C564 W565	P548-S550 VanDerWaalsContact C-N 3.32Å; P548-S550 PolarHBondContact O-N 2.59Å; P548-A553 HydrophobicContact CB-CB 4.26Å; P548-T554 HydrophobicContact CG-CG2 3.81Å; P548-C564 HydrophobicContact CG-CB 4.23Å; P548-C564 CarbonylContact O-C 3.53Å; P548-C564 WeakPolarHBondContact O-CA 3.36Å; P548-W565 VanDerWaalsContact O-CD1 3.24Å; P548-W565 PolarHBondContact O-N 2.94Å
549	E	95.4	Very high	93.2	Very high	110 Å²	110	42.1 Å²	42.1	51%	0.514	24%	0.238	S	C	.	.	S	Bend	trans	-62.5	-38.5	-179	172.9	174.8	176.3	0	0	113.3	W565 R567	E549-W565 HydrophobicContact CB-CD2 4.15Å; E549-W565 HydrophobicContact CB-CE3 4.08Å; E549-W565 HydrophobicContact CB-CH2 3.83Å; E549-W565 HydrophobicContact CB-CZ2 3.92Å; E549-W565 HydrophobicContact CB-CZ3 3.92Å; E549-W565 HydrophobicContact CG-CD2 4.31Å; E549-W565 HydrophobicContact CG-CE3 3.76Å; E549-W565 HydrophobicContact CG-CH2 3.91Å; E549-W565 HydrophobicContact CG-CZ2 4.46Å; E549-W565 HydrophobicContact CG-CZ3 3.53Å; E549-R567 PolarHBondContact O-NH2 3.5Å
550	S	92.8	Very high	93.1	Very high	39 Å²	39	42.1 Å²	42.1	27%	0.273	24%	0.238	S	C	.	.	S	Bend	trans	-136.5	158.9	-179.1	76.8	0	0	0	0	110.7	P548 S552	P548-S550 VanDerWaalsContact C-N 3.32Å; P548-S550 PolarHBondContact O-N 2.59Å; S550-S552 PolarHBondContact O-N 3.31Å; S550-S552 VanDerWaalsContact O-N 3.17Å; S550-S552 WeakPolarHBondContact OG-CB 3.3Å; S550-S552 PolarHBondContact OG-N 2.94Å; S550-S552 PolarHBondContact OG-OG 3.42Å
551	C	91.8	Very high	93	Very high	3 Å²	3	42.3 Å²	42.3	2%	0.02	24%	0.239	C	C	.	.	G	3₁₀ helix	trans	-73.1	-0.5	179.8	-80	0	0	0	0	112.9	Y260 A553 T554 L555 C564	Y260-C551 HydrophobicContact CD1-CB 4.36Å; Y260-C551 HydrophobicContact CG-CB 4.16Å; C551-A553 VanDerWaalsContact C-N 3.31Å; C551-A553 PolarHBondContact O-N 3.45Å; C551-T554 CarbonylContact O-C 3.42Å; C551-T554 PolarHBondContact O-N 3.44Å; C551-L555 WeakPolarHBondContact O-CB 2.98Å; C551-L555 PolarHBondContact O-N 3.01Å; C551-C564 HydrophobicContact CB-CB 4.07Å; C551-C564 WeakPolarHBondContact CB-SG 3.11Å; C551-C564 PolarHBondContact N-SG 3.18Å; C551-C564 VanDerWaalsContact N-SG 3.37Å; C551-C564 WeakPolarHBondContact SG-CB 3.32Å; C551-C564 CovalentContact SG-SG 2.08Å; C551-C564 PolarHBondContact SG-SG 3.42Å
552	S	86.2	Confident	93	Very high	64 Å²	64	42.3 Å²	42.3	45%	0.448	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-59.2	-41.4	174.5	75.2	0	0	0	0	112.6	Y260 S550 T554	Y260-S552 WeakPolarHBondContact OH-CB 3.42Å; S550-S552 PolarHBondContact O-N 3.31Å; S550-S552 VanDerWaalsContact O-N 3.17Å; S550-S552 WeakPolarHBondContact OG-CB 3.3Å; S550-S552 PolarHBondContact OG-N 2.94Å; S550-S552 PolarHBondContact OG-OG 3.42Å; S552-T554 PolarHBondContact O-N 3.22Å
553	A	85.2	Confident	93.1	Very high	67 Å²	67	41.2 Å²	41.2	55%	0.554	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-73.4	-17.7	-178.4	0	0	0	0	0	112.7	P548 C551	P548-A553 HydrophobicContact CB-CB 4.26Å; C551-A553 VanDerWaalsContact C-N 3.31Å; C551-A553 PolarHBondContact O-N 3.45Å
554	T	91.1	Very high	93.2	Very high	18 Å²	18	38.2 Å²	38.2	11%	0.11	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-125	8.2	-173.8	56	0	0	0	0	115.1	M257 Y412 P548 C551 S552 N556	M257-T554 WeakPolarHBondContact CE-O 3.48Å; Y412-T554 WeakPolarHBondContact OH-CA 3.16Å; Y412-T554 WeakPolarHBondContact OH-CB 3.46Å; Y412-T554 PolarHBondContact OH-O 3.36Å; P548-T554 HydrophobicContact CG-CG2 3.81Å; C551-T554 CarbonylContact O-C 3.42Å; C551-T554 PolarHBondContact O-N 3.44Å; S552-T554 PolarHBondContact O-N 3.22Å; T554-N556 PolarHBondContact O-N 3.46Å; T554-N556 PolarHBondContact O-ND2 3.5Å
555	L	90.9	Very high	93.3	Very high	17 Å²	17	31.3 Å²	31.3	9%	0.089	18%	0.182	C	C	.	.			trans	-60.8	111.7	-179.9	178.2	61.4	0	0	0	110	M257 D261 Y273 V274 L414 P415 C551	M257-L555 HydrophobicContact CG-CD1 3.59Å; M257-L555 HydrophobicContact SD-CD1 3.97Å; D261-L555 HydrophobicContact CB-CD1 3.76Å; D261-L555 HydrophobicContact CB-CD2 4.46Å; Y273-L555 HydrophobicContact CD2-CD2 4.44Å; V274-L555 HydrophobicContact CG2-CD1 3.67Å; L414-L555 WeakPolarHBondContact CD2-O 3.38Å; P415-L555 WeakPolarHBondContact CD-O 3.33Å; C551-L555 WeakPolarHBondContact O-CB 2.98Å; C551-L555 PolarHBondContact O-N 3.01Å
556	N	91.2	Very high	93.3	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.164	C	C	.	.			trans	-125.2	153.3	178.7	65.7	89.7	0	0	0	110.7	Y412 V413 L414 T554 R558 G559 L560	Y412-N556 HydrophobicContact CD2-CB 4.18Å; Y412-N556 HydrophobicContact CE2-CB 4.01Å; Y412-N556 WeakPolarHBondContact CE2-ND2 3.47Å; V413-N556 CarbonylContact O-C 3.5Å; V413-N556 WeakPolarHBondContact O-CA 3.37Å; V413-N556 WeakPolarHBondContact O-CB 3.32Å; L414-N556 HydrophobicContact CD2-CB 4.41Å; T554-N556 PolarHBondContact O-N 3.46Å; T554-N556 PolarHBondContact O-ND2 3.5Å; N556-R558 PolarHBondContact O-N 3.45Å; N556-R558 PolarHBondContact OD1-N 3.08Å; N556-G559 PolarHBondContact O-N 2.71Å; N556-G559 PolarHBondContact OD1-N 3Å; N556-G559 VanDerWaalsContact OD1-N 3.08Å; N556-L560 PolarHBondContact ND2-N 3.37Å; N556-L560 PolarHBondContact ND2-O 3.48Å; N556-L560 PolarHBondContact OD1-N 3.35Å
557	I	85.9	Confident	93.3	Very high	20 Å²	20	27.2 Å²	27.2	10%	0.103	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	-18.7	-169.9	57.9	150	0	0	0	114.6	V274 K275 V413 P415 V421	V274-I557 WeakPolarHBondContact CA-O 3.49Å; K275-I557 PolarHBondContact N-O 3.4Å; K275-I557 VanDerWaalsContact N-O 3.08Å; V413-I557 HydrophobicContact CB-CD1 4.17Å; V413-I557 HydrophobicContact CB-CG1 3.89Å; V413-I557 HydrophobicContact CG1-CD1 4.18Å; V413-I557 HydrophobicContact CG1-CG1 4.12Å; V413-I557 PolarHBondContact O-N 3.25Å; P415-I557 HydrophobicContact CG-CG2 4.13Å; V421-I557 HydrophobicContact CG1-CD1 3.49Å; V421-I557 VanDerWaalsContact CG1-CD1 3.49Å; V421-I557 HydrophobicContact CG2-CD1 4.39Å; V421-I557 HydrophobicContact CG2-CG2 4.2Å
558	R	87.8	Confident	93.2	Very high	36 Å²	36	27 Å²	27	14%	0.136	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-0.6	179.6	-65.2	-64.4	-68.3	153.4	-9.2	113.2	R254 K275 D409 N556 L560	R254-R558 PolarHBondContact NE-O 2.94Å; R254-R558 PolarHBondContact NH2-O 2.76Å; R254-R558 VanDerWaalsContact NH2-O 3.09Å; K275-R558 CarbonylContact O-C 3.57Å; K275-R558 PolarHBondContact O-NH1 2.97Å; D409-R558 IonicContact OD1-CZ 3.83Å; D409-R558 IonicContact OD1-NE 2.62Å; D409-R558 PolarHBondContact OD1-NE 3.31Å; D409-R558 IonicContact OD1-NH2 3.53Å; D409-R558 PolarHBondContact OD1-NH2 2.85Å; D409-R558 IonicContact OD2-CZ 3.22Å; D409-R558 IonicContact OD2-NE 3.1Å; D409-R558 IonicContact OD2-NH2 2.88Å; D409-R558 PolarHBondContact OD2-NH2 2.92Å; N556-R558 PolarHBondContact O-N 3.45Å; N556-R558 PolarHBondContact OD1-N 3.08Å; R558-L560 HydrophobicContact CB-CD1 3.63Å; R558-L560 HydrophobicContact CB-CD2 4.4Å; R558-L560 HydrophobicContact CB-CG 3.58Å; R558-L560 HydrophobicContact CG-CD1 4.36Å; R558-L560 PolarHBondContact O-N 2.78Å
559	G	91.7	Very high	93.3	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.156	C	C	.	.			trans	59.4	34.9	-177.9	0	0	0	0	0	113.5	R254 M257 N556	R254-G559 PolarHBondContact NE-O 3.22Å; M257-G559 VanDerWaalsContact SD-CA 3.58Å; N556-G559 PolarHBondContact O-N 2.71Å; N556-G559 PolarHBondContact OD1-N 3Å; N556-G559 VanDerWaalsContact OD1-N 3.08Å
560	L	95.1	Very high	93.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	13%	0.132	C	C	.	.			trans	-92.7	160.4	-177	-58.4	173.4	0	0	0	111.2	A250 Y410 I430 N556 R558 S562	A250-L560 HydrophobicContact CB-CD2 3.86Å; A250-L560 CarbonylContact O-C 3.55Å; A250-L560 VanDerWaalsContact O-CA 3.23Å; A250-L560 WeakPolarHBondContact O-CA 3.16Å; Y410-L560 HydrophobicContact CD1-CD2 4.35Å; I430-L560 HydrophobicContact CD1-CB 4.2Å; I430-L560 HydrophobicContact CD1-CD1 3.81Å; N556-L560 PolarHBondContact ND2-N 3.37Å; N556-L560 PolarHBondContact ND2-O 3.48Å; N556-L560 PolarHBondContact OD1-N 3.35Å; R558-L560 HydrophobicContact CB-CD1 3.63Å; R558-L560 HydrophobicContact CB-CD2 4.4Å; R558-L560 HydrophobicContact CB-CG 3.58Å; R558-L560 HydrophobicContact CG-CD1 4.36Å; R558-L560 PolarHBondContact O-N 2.78Å; L560-S562 PolarHBondContact O-N 2.96Å; L560-S562 VanDerWaalsContact O-N 3.15Å
561	L	96.5	Very high	93.6	Very high	22 Å²	22	26.3 Å²	26.3	12%	0.115	14%	0.14	C	C	.	.	S	Bend	trans	51.9	37.6	175.1	-53.6	-179	0	0	0	112.9	A250 I383 Y412 I430 Y433 P434 N563	A250-L561 PolarHBondContact O-N 3.04Å; I383-L561 HydrophobicContact CG2-CD2 4.36Å; Y412-L561 HydrophobicContact CD2-CB 4.46Å; Y412-L561 HydrophobicContact CD2-CD1 3.98Å; Y412-L561 HydrophobicContact CD2-CG 4.49Å; I430-L561 HydrophobicContact CD1-CD1 3.88Å; I430-L561 HydrophobicContact CD1-CD2 4.46Å; I430-L561 HydrophobicContact CD1-CG 4Å; I430-L561 HydrophobicContact CG1-CD1 4.12Å; I430-L561 HydrophobicContact CG2-CD1 4.01Å; I430-L561 HydrophobicContact CG2-CD2 3.75Å; I430-L561 HydrophobicContact CG2-CG 4.27Å; Y433-L561 HydrophobicContact CD2-CD2 3.64Å; Y433-L561 HydrophobicContact CE2-CD2 3.78Å; Y433-L561 HydrophobicContact CG-CD2 4.3Å; P434-L561 HydrophobicContact CG-CB 4.11Å; L561-N563 PolarHBondContact O-N 3.39Å; L561-N563 PolarHBondContact O-OD1 3.37Å
562	S	95.9	Very high	93.8	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.			trans	-65.4	109.3	177.7	-175.8	0	0	0	0	109.1	N252 R253 Y433 L560	N252-S562 WeakPolarHBondContact O-CB 3.22Å; R253-S562 WeakPolarHBondContact O-CB 3.43Å; R253-S562 PolarHBondContact O-OG 2.89Å; Y433-S562 PolarHBondContact OH-N 3.43Å; Y433-S562 PolarHBondContact OH-O 3.41Å; L560-S562 PolarHBondContact O-N 2.96Å; L560-S562 VanDerWaalsContact O-N 3.15Å
563	N	97.1	Very high	93.9	Very high	11 Å²	11	28.4 Å²	28.4	6%	0.059	15%	0.145	C	C	.	.			trans	-137.7	16	-175.1	78.7	-33.8	0	0	0	113.1	P434 V435 Q436 Q547 L561	P434-N563 HydrophobicContact CG-CB 4.09Å; V435-N563 WeakPolarHBondContact O-CB 3.29Å; V435-N563 PolarHBondContact O-ND2 3.46Å; V435-N563 VanDerWaalsContact O-ND2 3.11Å; Q436-N563 HydrophobicContact CB-CB 4.06Å; Q547-N563 VanDerWaalsContact CB-O 3.23Å; Q547-N563 WeakPolarHBondContact CB-O 3.19Å; Q547-N563 WeakPolarHBondContact CG-O 3.41Å; Q547-N563 PolarHBondContact NE2-O 2.96Å; L561-N563 PolarHBondContact O-N 3.39Å; L561-N563 PolarHBondContact O-OD1 3.37Å
564	C	96.6	Very high	93.1	Very high	11 Å²	11	29.4 Å²	29.4	7%	0.074	15%	0.148	C	C	.	.	S	Bend	trans	-62	160.9	172.3	69.7	0	0	0	0	111.2	R253 Q547 P548 C551 H566	R253-C564 PolarHBondContact NH1-O 3.04Å; R253-C564 PolarHBondContact NH2-O 3.27Å; Q547-C564 PolarHBondContact NE2-O 3.47Å; P548-C564 HydrophobicContact CG-CB 4.23Å; P548-C564 CarbonylContact O-C 3.53Å; P548-C564 WeakPolarHBondContact O-CA 3.36Å; C551-C564 HydrophobicContact CB-CB 4.07Å; C551-C564 WeakPolarHBondContact CB-SG 3.11Å; C551-C564 PolarHBondContact N-SG 3.18Å; C551-C564 VanDerWaalsContact N-SG 3.37Å; C551-C564 WeakPolarHBondContact SG-CB 3.32Å; C551-C564 CovalentContact SG-SG 2.08Å; C551-C564 PolarHBondContact SG-SG 3.42Å; C564-H566 PolarHBondContact O-N 3.2Å; C564-H566 VanDerWaalsContact O-N 3.13Å
565	W	97.9	Very high	91.6	Very high	36 Å²	36	31.2 Å²	31.2	14%	0.136	16%	0.162	C	C	.	.	P	Polyproline II helix	trans	-51.3	125.4	179.5	-61.5	-7.5	0	0	0	109.9	W481 V536 C537 S538 Q547 P548 E549 R567	W481-W565 HydrophobicContact CH2-CD2 4.01Å; W481-W565 AromaticContact CH2-CE3 3.89Å; W481-W565 HydrophobicContact CH2-CE3 3.89Å; W481-W565 HydrophobicContact CH2-CH2 4.07Å; W481-W565 HydrophobicContact CH2-CZ2 4.17Å; W481-W565 AromaticContact CH2-CZ3 3.93Å; W481-W565 HydrophobicContact CH2-CZ3 3.93Å; W481-W565 HydrophobicContact CZ2-CE3 4.26Å; W481-W565 AromaticContact CZ2-CH2 3.67Å; W481-W565 HydrophobicContact CZ2-CH2 3.67Å; W481-W565 AromaticContact CZ2-CZ2 4Å; W481-W565 HydrophobicContact CZ2-CZ2 4Å; W481-W565 AromaticContact CZ2-CZ3 3.81Å; W481-W565 HydrophobicContact CZ2-CZ3 3.81Å; V536-W565 HydrophobicContact CG2-CE3 4.21Å; C537-W565 WeakPolarHBondContact O-CA 3.27Å; S538-W565 PolarHBondContact OG-NE1 3.19Å; Q547-W565 PolarHBondContact O-NE1 3.12Å; P548-W565 VanDerWaalsContact O-CD1 3.24Å; P548-W565 PolarHBondContact O-N 2.94Å; E549-W565 HydrophobicContact CB-CD2 4.15Å; E549-W565 HydrophobicContact CB-CE3 4.08Å; E549-W565 HydrophobicContact CB-CH2 3.83Å; E549-W565 HydrophobicContact CB-CZ2 3.92Å; E549-W565 HydrophobicContact CB-CZ3 3.92Å; E549-W565 HydrophobicContact CG-CD2 4.31Å; E549-W565 HydrophobicContact CG-CE3 3.76Å; E549-W565 HydrophobicContact CG-CH2 3.91Å; E549-W565 HydrophobicContact CG-CZ2 4.46Å; E549-W565 HydrophobicContact CG-CZ3 3.53Å; W565-R567 WeakPolarHBondContact O-CG 3.45Å
566	H	97.8	Very high	89.5	Confident	5 Å²	5	37.5 Å²	37.5	2%	0.023	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	136.5	176.6	-178.6	-110.6	0	0	0	108.8	D256 E281 V438 I439 V536 C537 C564 I568	D256-H566 IonicContact OD2-CD2 3.19Å; E281-H566 IonicContact OE1-NE2 2.94Å; V438-H566 HydrophobicContact CG2-CB 4.29Å; I439-H566 PolarHBondContact N-ND1 2.89Å; I439-H566 VanDerWaalsContact N-ND1 3.11Å; I439-H566 PolarHBondContact O-CE1 3Å; I439-H566 VanDerWaalsContact O-CE1 3.31Å; V536-H566 WeakPolarHBondContact CA-O 3.37Å; C537-H566 PolarHBondContact N-O 2.94Å; C537-H566 VanDerWaalsContact N-O 3.11Å; C564-H566 PolarHBondContact O-N 3.2Å; C564-H566 VanDerWaalsContact O-N 3.13Å; H566-I568 WeakPolarHBondContact CE1-CG2 3.38Å
567	R	97.1	Very high	89.5	Confident	76 Å²	76	39.4 Å²	39.4	29%	0.287	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	133.4	-174	-45.9	-166.8	172.6	-116.6	-2.9	109.8	E534 F535 V536 E549 W565	E534-R567 HydrophobicContact CG-CB 4.49Å; E534-R567 IonicContact OE1-NH1 3.42Å; E534-R567 PolarHBondContact OE1-NH1 2.84Å; E534-R567 IonicContact OE2-NH1 2.59Å; F535-R567 WeakPolarHBondContact O-CA 3.49Å; V536-R567 HydrophobicContact CB-CG 4.48Å; V536-R567 HydrophobicContact CG1-CB 4.04Å; V536-R567 HydrophobicContact CG1-CG 3.63Å; E549-R567 PolarHBondContact O-NH2 3.5Å; W565-R567 WeakPolarHBondContact O-CG 3.45Å
568	I	97.1	Very high	89.6	Confident	2 Å²	2	40.4 Å²	40.4	1%	0.01	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.1	171.6	67.5	176	0	0	0	109.9	I439 P442 D444 L456 E534 F535 H566 I570	I439-I568 HydrophobicContact CB-CD1 4.01Å; I439-I568 HydrophobicContact CB-CG2 4.4Å; I439-I568 HydrophobicContact CD1-CD1 4.07Å; I439-I568 HydrophobicContact CD1-CG1 3.94Å; I439-I568 HydrophobicContact CG2-CD1 3.49Å; I439-I568 VanDerWaalsContact CG2-CD1 3.49Å; I439-I568 HydrophobicContact CG2-CG1 4.48Å; P442-I568 HydrophobicContact CG-CD1 4.16Å; P442-I568 WeakPolarHBondContact O-CD1 3.05Å; D444-I568 HydrophobicContact CB-CB 4.11Å; D444-I568 HydrophobicContact CB-CG2 4.01Å; D444-I568 WeakPolarHBondContact OD1-CA 3.46Å; L456-I568 HydrophobicContact CD2-CD1 4.34Å; E534-I568 WeakPolarHBondContact CA-O 3.42Å; F535-I568 HydrophobicContact CB-CG1 3.94Å; F535-I568 PolarHBondContact N-O 2.88Å; F535-I568 PolarHBondContact O-N 2.87Å; H566-I568 WeakPolarHBondContact CE1-CG2 3.38Å; I568-I570 HydrophobicContact CD1-CD1 3.99Å; I568-I570 HydrophobicContact CD1-CG1 4.01Å; I568-I570 HydrophobicContact CG1-CD1 4.39Å; I568-I570 HydrophobicContact CG1-CG1 4.18Å
569	N	97.3	Very high	89.7	Confident	61 Å²	61	40.7 Å²	40.7	33%	0.326	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	121.5	174.4	-64.4	-76.6	0	0	0	109.2	D444 G445	D444-N569 PolarHBondContact OD1-N 3.01Å; G445-N569 VanDerWaalsContact CA-O 3.28Å; G445-N569 WeakPolarHBondContact CA-O 3.38Å; G445-N569 PolarHBondContact N-O 2.81Å
570	I	97.6	Very high	89.6	Confident	0 Å²	0	43.1 Å²	43.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	131.1	-178.8	-59.5	-58.1	0	0	0	109.4	P442 S443 Q446 L448 E532 V533 F535 I568 F572	P442-I570 HydrophobicContact CB-CD1 3.7Å; P442-I570 HydrophobicContact CB-CG1 4.42Å; P442-I570 HydrophobicContact CG-CD1 3.42Å; P442-I570 VanDerWaalsContact CG-CD1 3.42Å; P442-I570 HydrophobicContact CG-CG1 3.63Å; P442-I570 HydrophobicContact CG-CG2 4.47Å; S443-I570 WeakPolarHBondContact O-CD1 3.43Å; Q446-I570 HydrophobicContact CB-CD1 4.22Å; L448-I570 HydrophobicContact CD1-CG2 3.78Å; L448-I570 HydrophobicContact CG-CG2 3.98Å; E532-I570 CarbonylContact C-O 3.51Å; E532-I570 VanDerWaalsContact CA-O 3.27Å; E532-I570 WeakPolarHBondContact CA-O 3.38Å; V533-I570 PolarHBondContact N-O 2.97Å; V533-I570 PolarHBondContact O-N 2.91Å; F535-I570 HydrophobicContact CD2-CB 4.24Å; F535-I570 HydrophobicContact CD2-CG1 3.9Å; F535-I570 HydrophobicContact CE2-CB 4.04Å; F535-I570 HydrophobicContact CE2-CG1 4.11Å; I568-I570 HydrophobicContact CD1-CD1 3.99Å; I568-I570 HydrophobicContact CD1-CG1 4.01Å; I568-I570 HydrophobicContact CG1-CD1 4.39Å; I568-I570 HydrophobicContact CG1-CG1 4.18Å; I570-F572 HydrophobicContact CB-CE2 4.16Å; I570-F572 HydrophobicContact CB-CZ 4.3Å; I570-F572 HydrophobicContact CG2-CD2 4.43Å; I570-F572 HydrophobicContact CG2-CE1 4.11Å; I570-F572 HydrophobicContact CG2-CE2 3.77Å; I570-F572 HydrophobicContact CG2-CZ 3.6Å
571	K	97.2	Very high	89.3	Confident	104 Å²	104	45.8 Å²	45.8	45%	0.452	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	147.4	176.2	-64.6	178.7	-176.5	176.5	0	110	Q446 T447 L448 R531	Q446-K571 PolarHBondContact O-N 2.88Å; T447-K571 CarbonylContact C-O 3.57Å; T447-K571 VanDerWaalsContact CA-O 3.32Å; T447-K571 WeakPolarHBondContact CA-O 3.4Å; T447-K571 HydrophobicContact CG2-CB 4.21Å; L448-K571 PolarHBondContact N-O 3.14Å; R531-K571 CarbonylContact O-C 3.55Å; R531-K571 WeakPolarHBondContact O-CA 3.42Å
572	F	95.8	Very high	88.8	Confident	8 Å²	8	47.3 Å²	47.3	4%	0.035	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	121.8	-179.4	-67.7	-80.7	0	0	0	110.1	L448 N450 V454 I526 I530 R531 V533 F535 I570	L448-F572 HydrophobicContact CB-CD1 4.12Å; L448-F572 HydrophobicContact CB-CE1 4.08Å; L448-F572 HydrophobicContact CD1-CE1 4.29Å; L448-F572 CarbonylContact O-C 3.56Å; L448-F572 VanDerWaalsContact O-CA 3.28Å; L448-F572 WeakPolarHBondContact O-CA 3.32Å; N450-F572 HydrophobicContact CB-CB 4.18Å; N450-F572 HydrophobicContact CB-CD1 4.31Å; V454-F572 HydrophobicContact CB-CE1 4.29Å; V454-F572 HydrophobicContact CB-CZ 4.24Å; V454-F572 HydrophobicContact CG1-CZ 4.35Å; V454-F572 HydrophobicContact CG2-CE1 4.44Å; V454-F572 HydrophobicContact CG2-CZ 4.37Å; I526-F572 HydrophobicContact CD1-CD1 3.68Å; I526-F572 HydrophobicContact CD1-CD2 4.35Å; I526-F572 HydrophobicContact CD1-CE1 3.22Å; I526-F572 HydrophobicContact CD1-CE2 3.97Å; I526-F572 HydrophobicContact CD1-CG 4.22Å; I526-F572 HydrophobicContact CD1-CZ 3.38Å; I530-F572 HydrophobicContact CG2-CD2 3.95Å; I530-F572 HydrophobicContact CG2-CE2 4.42Å; I530-F572 HydrophobicContact CG2-CG 4.36Å; I530-F572 WeakPolarHBondContact O-CB 3.42Å; R531-F572 PolarHBondContact O-N 3.05Å; V533-F572 HydrophobicContact CB-CE2 4Å; V533-F572 HydrophobicContact CG2-CD2 4.2Å; V533-F572 HydrophobicContact CG2-CE2 3.69Å; F535-F572 HydrophobicContact CE2-CE2 4.34Å; F535-F572 HydrophobicContact CE2-CZ 4.24Å; F535-F572 HydrophobicContact CZ-CZ 4.43Å; I570-F572 HydrophobicContact CB-CE2 4.16Å; I570-F572 HydrophobicContact CB-CZ 4.3Å; I570-F572 HydrophobicContact CG2-CD2 4.43Å; I570-F572 HydrophobicContact CG2-CE1 4.11Å; I570-F572 HydrophobicContact CG2-CE2 3.77Å; I570-F572 HydrophobicContact CG2-CZ 3.6Å
573	D	88.2	Confident	88.3	Confident	102 Å²	102	50.7 Å²	50.7	55%	0.545	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	135.7	169.3	-72.9	-26.5	0	0	0	109.2	T447 L448 N450 S575	T447-D573 WeakPolarHBondContact CG2-OD1 3.38Å; L448-D573 PolarHBondContact O-N 3.29Å; N450-D573 PolarHBondContact N-O 2.94Å; D573-S575 PolarHBondContact O-N 3.06Å; D573-S575 VanDerWaalsContact O-N 3.1Å
574	S	68.5	Low	87.6	Confident	88 Å²	88	53.8 Å²	53.8	62%	0.615	34%	0.342	S	S	*	.			trans	-62.3	113.7	171.2	-42.2	0	0	0	0	107.7	G576	S574-G576 PolarHBondContact O-N 3.34Å; S574-G576 VanDerWaalsContact O-N 3.1Å
575	S	60.8	Low	86.9	Confident	56 Å²	56	57.3 Å²	57.3	39%	0.392	36%	0.364	S	S	.	.			trans	-63.7	112.4	160.7	52.5	0	0	0	0	106.6	D573	D573-S575 PolarHBondContact O-N 3.06Å; D573-S575 VanDerWaalsContact O-N 3.1Å
576	G	47.3	Very low	85.9	Confident	150 Å²	150	59.3 Å²	59.3	100%	1.546	39%	0.385	S	S	*	.			trans	-55.1	0	178.9	0	0	0	0	0	114.1	S574	S574-G576 PolarHBondContact O-N 3.34Å; S574-G576 VanDerWaalsContact O-N 3.1Å

Retrieved 576 of 576 residues in 987.1 ms (Link to these results)

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