A0A087XRV5_POEFO Loading...

Angiopoietin-like 7

AlphaFold DB , UniProt , Accession A0A087XRV5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 339 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.7	Very low	34.4	Very low	241 Å²	241	158.7 Å²	158.7	100%	1.187	86%	0.86	S	S	*	*				0	95.7	0	-98.5	-174	-102.2	0	0	108.4
2	T	32.9	Very low	34.5	Very low	149 Å²	149	151.2 Å²	151.2	91%	0.914	85%	0.846	S	S	*	*			trans	-173.4	120	153.5	15.5	0	0	0	0	106.8
3	K	31.7	Very low	34.5	Very low	209 Å²	209	150.6 Å²	150.6	91%	0.909	85%	0.848	S	S	*	*			trans	-82.5	136.8	-173.8	-68.6	173.6	173.7	178.1	0	109.5
4	I	37.3	Very low	34.3	Very low	156 Å²	156	148.6 Å²	148.6	80%	0.8	84%	0.842	S	S	*	*			trans	-106.8	115.8	167	-63.4	174.5	0	0	0	107.4	L6	I4-L6 HydrophobicContact CG2-CD1 4.39Å
5	N	31.7	Very low	34.2	Very low	153 Å²	153	150.1 Å²	150.1	82%	0.818	85%	0.845	S	S	*	*			trans	-78.1	124.5	173.5	-95.6	-26.4	0	0	0	109.3
6	L	33.9	Very low	34.2	Very low	150 Å²	150	151 Å²	151	79%	0.785	85%	0.846	S	S	*	*			trans	-102.1	112.3	164.7	-110.4	81.7	0	0	0	108.8	I4	I4-L6 HydrophobicContact CG2-CD1 4.39Å
7	S	32.7	Very low	34.7	Very low	113 Å²	113	151.5 Å²	151.5	79%	0.79	85%	0.845	S	S	*	*			trans	-93.4	109.8	171.6	-46.9	0	0	0	0	108.9
8	I	34.6	Very low	34.7	Very low	152 Å²	152	153.1 Å²	153.1	78%	0.779	85%	0.851	S	S	*	*			trans	-88.6	124.8	172.7	-64.3	169.3	0	0	0	107.7
9	L	34.4	Very low	34.8	Very low	167 Å²	167	149.1 Å²	149.1	87%	0.874	85%	0.847	S	S	*	*			trans	-112.7	108.2	170.5	-102.4	147.8	0	0	0	109
10	A	35.7	Very low	34.7	Very low	85 Å²	85	149.3 Å²	149.3	70%	0.702	85%	0.852	S	S	*	*			trans	-86.6	137.7	172.2	0	0	0	0	0	110
11	L	34.5	Very low	34.7	Very low	171 Å²	171	146 Å²	146	90%	0.895	85%	0.851	S	S	*	*			trans	-137	102.7	161	-89.8	161.7	0	0	0	108
12	G	35.6	Very low	34.5	Very low	68 Å²	68	138.8 Å²	138.8	70%	0.701	83%	0.83	S	S	*	*			trans	-85.4	151.9	166.5	0	0	0	0	0	110.7
13	V	34.7	Very low	34.8	Very low	144 Å²	144	139.9 Å²	139.9	87%	0.873	83%	0.825	S	S	*	*			trans	-136.6	120	160.2	179.2	0	0	0	0	108.6
14	T	32.5	Very low	35	Very low	123 Å²	123	136.5 Å²	136.5	76%	0.755	82%	0.817	S	S	*	*			trans	-76.6	134.5	-176.7	-34.7	0	0	0	0	110.9
15	L	32.5	Very low	36.2	Very low	170 Å²	170	133.8 Å²	133.8	89%	0.89	81%	0.809	S	S	*	*			trans	-91.7	127.3	167.8	-118.9	88	0	0	0	109.4
16	L	34.6	Very low	36.4	Very low	165 Å²	165	136.1 Å²	136.1	86%	0.864	81%	0.812	S	S	*	*			trans	-131.6	130.5	167.5	-98.1	160.1	0	0	0	110.6
17	L	42.1	Very low	36.5	Very low	159 Å²	159	138.1 Å²	138.1	83%	0.832	81%	0.814	S	S	*	*			trans	-82	149.9	-176	-69.9	131.3	0	0	0	112.9
18	L	35	Very low	36.7	Very low	181 Å²	181	143.5 Å²	143.5	95%	0.948	82%	0.817	S	S	*	*			trans	-152.6	131.6	144.3	-69	176.4	0	0	0	106
19	G	36.1	Very low	37.9	Very low	76 Å²	76	141.7 Å²	141.7	78%	0.784	82%	0.815	S	S	*	*			cis	114	94	35.8	0	0	0	0	0	107.5
20	T	32.7	Very low	38.2	Very low	153 Å²	153	138 Å²	138	94%	0.939	81%	0.808	S	S	*	*			trans	-105.6	117.5	178.8	43.8	0	0	0	0	111.4
21	G	35.3	Very low	39	Very low	81 Å²	81	139.8 Å²	139.8	84%	0.835	81%	0.813	S	S	*	*			trans	-95	150.6	166.4	0	0	0	0	0	111.9
22	A	34.6	Very low	39.1	Very low	90 Å²	90	137.4 Å²	137.4	74%	0.744	81%	0.811	S	S	*	*			trans	-86.2	152.9	-169.1	0	0	0	0	0	115.5
23	Q	39.2	Very low	39.9	Very low	171 Å²	171	143.8 Å²	143.8	80%	0.799	82%	0.819	S	S	*	*			trans	49.9	145.4	142.9	-67.2	-178.4	3.8	0	0	119.2
24	N	34.7	Very low	40.8	Very low	139 Å²	139	142.6 Å²	142.6	74%	0.743	82%	0.815	S	S	*	*			cis	-168.9	-173.8	28.8	-124.1	-8.8	0	0	0	109.1
25	P	62.4	Low	41.5	Very low	98 Å²	98	141 Å²	141	64%	0.636	81%	0.806	S	S	*	*			trans	-118.4	165	-138.1	41.2	-27.9	0	0	0	116.2
26	K	36.9	Very low	42.3	Very low	202 Å²	202	142.3 Å²	142.3	88%	0.878	81%	0.805	S	S	*	*				171	135.4	121.7	-93.7	169.3	-177.6	177.9	0	114.2
27	K	36.8	Very low	43.2	Very low	193 Å²	193	139.4 Å²	139.4	84%	0.839	79%	0.794	S	S	*	*			trans	-21.7	155.2	156.2	-72.3	171.6	176.3	177	0	116.3
28	R	35.6	Very low	43.7	Very low	226 Å²	226	138 Å²	138	85%	0.853	78%	0.783	S	S	*	*			cis	174.6	179.8	-7.6	-119.6	-171.2	-174	-178.5	1.6	103.6
29	P	60.2	Low	44.7	Very low	114 Å²	114	133.5 Å²	133.5	74%	0.74	77%	0.766	S	S	*	*				-120.7	-177.5	-52.5	31.9	-10.3	0	0	0	109.1
30	A	40.8	Very low	46.1	Very low	88 Å²	88	133.8 Å²	133.8	73%	0.727	76%	0.755	S	S	*	*				177.2	179.4	61.3	0	0	0	0	0	108.1
31	P	52.8	Low	48	Very low	123 Å²	123	131.3 Å²	131.3	80%	0.799	74%	0.735	S	S	*	*				-128.2	161.1	-111.5	30.8	-9.7	0	0	0	114.2
32	S	36.8	Very low	50	Low	121 Å²	121	133 Å²	133	85%	0.846	72%	0.721	S	S	*	*			trans	-155.7	139.1	142.4	54.3	0	0	0	0	111
33	K	51.5	Low	52.1	Low	202 Å²	202	131.9 Å²	131.9	88%	0.878	71%	0.705	S	S	*	*			trans	-53	152.1	-173.6	-72.3	172.3	174.6	174.4	0	113
34	P	52.7	Low	54.1	Low	120 Å²	120	132.3 Å²	132.3	78%	0.779	70%	0.7	S	S	*	*				-149.7	-156.5	80.1	35	-11.7	0	0	0	112.8
35	P	49.1	Very low	56.4	Low	88 Å²	88	128.6 Å²	128.6	57%	0.571	69%	0.685	S	S	*	*				-109.2	139.6	-73.3	33.1	-19.4	0	0	0	111.7	V37	P35-V37 VanDerWaalsContact C-N 3.35Å; P35-V37 PolarHBondContact O-N 2.88Å
36	K	49.2	Very low	57.5	Low	198 Å²	198	128.6 Å²	128.6	86%	0.861	68%	0.679	S	S	*	*	S	Bend	trans	-85.9	4.7	178.3	-85.9	-173.2	175.2	-176.1	0	115
37	V	52.8	Low	59.7	Low	105 Å²	105	126 Å²	126	64%	0.636	67%	0.668	S	S	*	*	S	Bend	trans	-103.7	-28.8	-168.9	-174.3	0	0	0	0	113.2	P35	P35-V37 VanDerWaalsContact C-N 3.35Å; P35-V37 PolarHBondContact O-N 2.88Å
38	Q	53.3	Low	62.2	Low	130 Å²	130	121.5 Å²	121.5	61%	0.607	66%	0.656	S	S	*	*	H	α-helix	trans	-81.6	-33.6	-171.1	-158.2	147.1	2.2	0	0	114.6	C40 E42	Q38-C40 VanDerWaalsContact C-N 3.33Å; Q38-C40 PolarHBondContact O-N 3.36Å; Q38-E42 PolarHBondContact O-N 3.47Å
39	C	55.8	Low	64.8	Low	86 Å²	86	115.7 Å²	115.7	58%	0.581	64%	0.638	S	S	*	*	H	α-helix	trans	-70.9	-28.8	179.8	-169.6	0	0	0	0	112.7	V43	C39-V43 VanDerWaalsContact O-CB 3.31Å; C39-V43 WeakPolarHBondContact O-CB 3.45Å; C39-V43 WeakPolarHBondContact O-CG2 3.46Å; C39-V43 PolarHBondContact O-N 3.38Å; C39-V43 VanDerWaalsContact O-N 3.14Å
40	C	64.1	Low	66.2	Low	82 Å²	82	114.4 Å²	114.4	55%	0.554	63%	0.629	S	S	*	*	H	α-helix	trans	-71.9	-38.5	180	-70.3	0	0	0	0	112.4	Q38 R44	Q38-C40 VanDerWaalsContact C-N 3.33Å; Q38-C40 PolarHBondContact O-N 3.36Å; C40-R44 VanDerWaalsContact O-CB 3.24Å; C40-R44 WeakPolarHBondContact O-CB 3.4Å; C40-R44 PolarHBondContact O-N 3.36Å
41	D	74.1	Confident	68.5	Low	100 Å²	100	113.1 Å²	113.1	54%	0.535	62%	0.618	S	S	.	*	H	α-helix	trans	-75.9	-38	-178.2	-68.7	-28.4	0	0	0	111.8	R44 S45	D41-R44 PolarHBondContact O-N 3.23Å; D41-S45 WeakPolarHBondContact O-CB 3.25Å; D41-S45 PolarHBondContact O-N 3.09Å
42	E	76.6	Confident	70.3	Confident	116 Å²	116	112.6 Å²	112.6	54%	0.542	61%	0.608	S	S	.	*	H	α-helix	trans	-65.3	-44.5	173.4	-73.2	177	-174	0	0	112.1	Q38 R44 S45 L46	Q38-E42 PolarHBondContact O-N 3.47Å; E42-R44 VanDerWaalsContact C-N 3.3Å; E42-R44 PolarHBondContact O-N 3.43Å; E42-S45 PolarHBondContact O-N 3.48Å; E42-L46 WeakPolarHBondContact O-CB 3.34Å; E42-L46 WeakPolarHBondContact O-CG 3.48Å; E42-L46 PolarHBondContact O-N 3.4Å
43	V	78.6	Confident	72.9	Confident	67 Å²	67	112.4 Å²	112.4	41%	0.406	60%	0.597	S	S	.	*	H	α-helix	trans	-64.6	-36	175.5	170.7	0	0	0	0	111.2	C39 K47	C39-V43 VanDerWaalsContact O-CB 3.31Å; C39-V43 WeakPolarHBondContact O-CB 3.45Å; C39-V43 WeakPolarHBondContact O-CG2 3.46Å; C39-V43 PolarHBondContact O-N 3.38Å; C39-V43 VanDerWaalsContact O-N 3.14Å; V43-K47 WeakPolarHBondContact O-CB 3.47Å; V43-K47 VanDerWaalsContact O-CG 3.31Å; V43-K47 WeakPolarHBondContact O-CG 3.4Å; V43-K47 PolarHBondContact O-N 2.82Å
44	R	80.4	Confident	74.8	Confident	180 Å²	180	106.1 Å²	106.1	68%	0.679	58%	0.576	S	S	*	*	H	α-helix	trans	-67.4	-43.6	174.6	-170.8	177.2	-173.2	169.1	1.7	111.4	C40 D41 E42 K47 V48	C40-R44 VanDerWaalsContact O-CB 3.24Å; C40-R44 WeakPolarHBondContact O-CB 3.4Å; C40-R44 PolarHBondContact O-N 3.36Å; D41-R44 PolarHBondContact O-N 3.23Å; E42-R44 VanDerWaalsContact C-N 3.3Å; E42-R44 PolarHBondContact O-N 3.43Å; R44-K47 PolarHBondContact O-N 3.07Å; R44-V48 WeakPolarHBondContact O-CG2 3.39Å; R44-V48 PolarHBondContact O-N 3.38Å; R44-V48 VanDerWaalsContact O-N 3.07Å
45	S	84	Confident	76.8	Confident	61 Å²	61	103.2 Å²	103.2	43%	0.427	56%	0.558	S	S	.	*	H	α-helix	trans	-61	-46.8	175.4	-175.9	0	0	0	0	111.6	D41 E42 K47 V48 Q49	D41-S45 WeakPolarHBondContact O-CB 3.25Å; D41-S45 PolarHBondContact O-N 3.09Å; E42-S45 PolarHBondContact O-N 3.48Å; S45-K47 PolarHBondContact O-N 3.21Å; S45-V48 WeakPolarHBondContact O-CB 3.48Å; S45-V48 PolarHBondContact O-N 2.92Å; S45-V48 VanDerWaalsContact O-N 3.15Å; S45-Q49 WeakPolarHBondContact O-CG 3.42Å; S45-Q49 PolarHBondContact O-N 2.97Å
46	L	84.4	Confident	78.9	Confident	98 Å²	98	104 Å²	104	51%	0.513	56%	0.557	S	S	.	*	H	α-helix	trans	-61.4	-40.6	175.8	-77.1	166.6	0	0	0	112.1	E42 V48 Q49 V50	E42-L46 WeakPolarHBondContact O-CB 3.34Å; E42-L46 WeakPolarHBondContact O-CG 3.48Å; E42-L46 PolarHBondContact O-N 3.4Å; L46-V48 VanDerWaalsContact C-N 3.32Å; L46-V48 PolarHBondContact O-N 2.76Å; L46-Q49 PolarHBondContact O-N 3.1Å; L46-V50 WeakPolarHBondContact O-CB 3.15Å; L46-V50 VanDerWaalsContact O-CG2 3.29Å; L46-V50 WeakPolarHBondContact O-CG2 3.45Å; L46-V50 PolarHBondContact O-N 3.45Å
47	K	84.5	Confident	81	Confident	148 Å²	148	100.5 Å²	100.5	64%	0.643	55%	0.547	S	S	*	.	H	α-helix	trans	-61.2	-40.2	174.2	-80.1	-179.6	179	-172.8	0	112.4	V43 R44 S45 A51	V43-K47 WeakPolarHBondContact O-CB 3.47Å; V43-K47 VanDerWaalsContact O-CG 3.31Å; V43-K47 WeakPolarHBondContact O-CG 3.4Å; V43-K47 PolarHBondContact O-N 2.82Å; R44-K47 PolarHBondContact O-N 3.07Å; S45-K47 PolarHBondContact O-N 3.21Å; K47-A51 WeakPolarHBondContact O-CB 3.3Å; K47-A51 PolarHBondContact O-N 3.39Å
48	V	89.3	Confident	83	Confident	98 Å²	98	100.4 Å²	100.4	59%	0.594	54%	0.54	S	S	*	.	H	α-helix	trans	-65.9	-42.9	175.5	173.8	0	0	0	0	110.6	R44 S45 L46 A51 N52	R44-V48 WeakPolarHBondContact O-CG2 3.39Å; R44-V48 PolarHBondContact O-N 3.38Å; R44-V48 VanDerWaalsContact O-N 3.07Å; S45-V48 WeakPolarHBondContact O-CB 3.48Å; S45-V48 PolarHBondContact O-N 2.92Å; S45-V48 VanDerWaalsContact O-N 3.15Å; L46-V48 VanDerWaalsContact C-N 3.32Å; L46-V48 PolarHBondContact O-N 2.76Å; V48-A51 PolarHBondContact O-N 3Å; V48-N52 WeakPolarHBondContact O-CB 3.48Å; V48-N52 PolarHBondContact O-N 3.29Å
49	Q	89.1	Confident	84.9	Confident	104 Å²	104	99.8 Å²	99.8	49%	0.486	54%	0.537	S	S	.	.	H	α-helix	trans	-62.5	-44.5	176.4	-71.5	179.3	-1.8	0	0	112.3	S45 L46 N52 L53	S45-Q49 WeakPolarHBondContact O-CG 3.42Å; S45-Q49 PolarHBondContact O-N 2.97Å; L46-Q49 PolarHBondContact O-N 3.1Å; Q49-N52 PolarHBondContact O-N 2.94Å; Q49-L53 WeakPolarHBondContact O-CB 3.36Å; Q49-L53 PolarHBondContact O-N 2.88Å
50	V	89.5	Confident	86.7	Confident	88 Å²	88	100.9 Å²	100.9	53%	0.533	54%	0.537	S	S	.	.	H	α-helix	trans	-62.9	-43.3	176.8	170.2	0	0	0	0	110.9	L46 N52 L53 T54	L46-V50 WeakPolarHBondContact O-CB 3.15Å; L46-V50 VanDerWaalsContact O-CG2 3.29Å; L46-V50 WeakPolarHBondContact O-CG2 3.45Å; L46-V50 PolarHBondContact O-N 3.45Å; V50-N52 VanDerWaalsContact C-N 3.34Å; V50-N52 PolarHBondContact O-N 3.4Å; V50-L53 PolarHBondContact O-N 3.45Å; V50-T54 WeakPolarHBondContact O-CB 3.44Å; V50-T54 PolarHBondContact O-N 3.26Å; V50-T54 PolarHBondContact O-OG1 2.79Å
51	A	88.9	Confident	88.1	Confident	61 Å²	61	98.6 Å²	98.6	50%	0.504	53%	0.527	S	S	.	.	H	α-helix	trans	-61	-42.4	174.9	0	0	0	0	0	112.1	K47 V48 T54 S55	K47-A51 WeakPolarHBondContact O-CB 3.3Å; K47-A51 PolarHBondContact O-N 3.39Å; V48-A51 PolarHBondContact O-N 3Å; A51-T54 PolarHBondContact O-N 3.39Å; A51-S55 WeakPolarHBondContact O-CB 3.26Å; A51-S55 PolarHBondContact O-N 3.25Å
52	N	91.9	Very high	89.1	Confident	112 Å²	112	101.5 Å²	101.5	60%	0.599	53%	0.53	S	S	*	.	H	α-helix	trans	-66.2	-44.1	177.8	-162.6	28.5	0	0	0	112	V48 Q49 V50 T54 S55 L56	V48-N52 WeakPolarHBondContact O-CB 3.48Å; V48-N52 PolarHBondContact O-N 3.29Å; Q49-N52 PolarHBondContact O-N 2.94Å; V50-N52 VanDerWaalsContact C-N 3.34Å; V50-N52 PolarHBondContact O-N 3.4Å; N52-T54 VanDerWaalsContact C-N 3.32Å; N52-T54 PolarHBondContact O-N 3.19Å; N52-S55 PolarHBondContact O-N 2.92Å; N52-L56 WeakPolarHBondContact O-CB 3.5Å; N52-L56 PolarHBondContact O-N 2.82Å
53	L	91.7	Very high	89.9	Confident	117 Å²	117	102.2 Å²	102.2	61%	0.613	53%	0.531	S	S	*	.	H	α-helix	trans	-61.4	-39.1	174	-91.4	148.9	0	0	0	112.2	Q49 V50 L56 L57	Q49-L53 WeakPolarHBondContact O-CB 3.36Å; Q49-L53 PolarHBondContact O-N 2.88Å; V50-L53 PolarHBondContact O-N 3.45Å; L53-L56 PolarHBondContact O-N 2.85Å; L53-L57 WeakPolarHBondContact O-CB 3.31Å; L53-L57 PolarHBondContact O-N 3.12Å
54	T	90.8	Very high	90.7	Very high	70 Å²	70	105.3 Å²	105.3	43%	0.429	54%	0.542	S	S	.	.	H	α-helix	trans	-67	-44.1	178.4	-53	0	0	0	0	110.3	V50 A51 N52 L56 L57 E58	V50-T54 WeakPolarHBondContact O-CB 3.44Å; V50-T54 PolarHBondContact O-N 3.26Å; V50-T54 PolarHBondContact O-OG1 2.79Å; A51-T54 PolarHBondContact O-N 3.39Å; N52-T54 VanDerWaalsContact C-N 3.32Å; N52-T54 PolarHBondContact O-N 3.19Å; T54-L56 PolarHBondContact O-N 2.85Å; T54-L57 PolarHBondContact O-N 3.43Å; T54-E58 PolarHBondContact O-N 2.66Å
55	S	93.8	Very high	91.3	Very high	59 Å²	59	103.3 Å²	103.3	41%	0.413	54%	0.538	S	S	.	.	H	α-helix	trans	-60.3	-43.9	173.8	-169.5	0	0	0	0	111.9	A51 N52 L57 E58 E59	A51-S55 WeakPolarHBondContact O-CB 3.26Å; A51-S55 PolarHBondContact O-N 3.25Å; N52-S55 PolarHBondContact O-N 2.92Å; S55-L57 VanDerWaalsContact C-N 3.33Å; S55-L57 PolarHBondContact O-N 3.23Å; S55-E58 PolarHBondContact O-N 3.18Å; S55-E59 PolarHBondContact O-N 3.47Å
56	L	94.7	Very high	91.8	Very high	104 Å²	104	104.1 Å²	104.1	55%	0.545	54%	0.541	S	S	.	.	H	α-helix	trans	-64.4	-38.5	178.7	-156.4	96.9	0	0	0	111.8	N52 L53 T54 E59 L60	N52-L56 WeakPolarHBondContact O-CB 3.5Å; N52-L56 PolarHBondContact O-N 2.82Å; L53-L56 PolarHBondContact O-N 2.85Å; T54-L56 PolarHBondContact O-N 2.85Å; L56-E59 PolarHBondContact O-N 3.23Å; L56-L60 WeakPolarHBondContact O-CB 3.15Å; L56-L60 PolarHBondContact O-N 3.22Å
57	L	92.8	Very high	92.3	Very high	124 Å²	124	103.3 Å²	103.3	65%	0.649	54%	0.536	S	S	*	.	H	α-helix	trans	-66.7	-40.3	177.6	-170.5	70	0	0	0	111.4	L53 T54 S55 L60 G61	L53-L57 WeakPolarHBondContact O-CB 3.31Å; L53-L57 PolarHBondContact O-N 3.12Å; T54-L57 PolarHBondContact O-N 3.43Å; S55-L57 VanDerWaalsContact C-N 3.33Å; S55-L57 PolarHBondContact O-N 3.23Å; L57-L60 PolarHBondContact O-N 2.78Å; L57-G61 PolarHBondContact O-N 3.33Å
58	E	93.8	Very high	92.7	Very high	103 Å²	103	101.4 Å²	101.4	48%	0.481	53%	0.531	S	S	.	.	H	α-helix	trans	-63.9	-43.6	174	-75.4	-172.8	-167.4	0	0	112.1	T54 S55 G61 R62	T54-E58 PolarHBondContact O-N 2.66Å; S55-E58 PolarHBondContact O-N 3.18Å; E58-G61 PolarHBondContact O-N 3.02Å; E58-R62 WeakPolarHBondContact O-CG 3.45Å; E58-R62 PolarHBondContact O-N 3.45Å; E58-R62 IonicContact OE2-NH2 2.98Å; E58-R62 PolarHBondContact OE2-NH2 3.18Å
59	E	94.9	Very high	92.8	Very high	117 Å²	117	102.5 Å²	102.5	55%	0.547	53%	0.531	S	S	.	.	H	α-helix	trans	-62.4	-44.8	175.7	-76.4	-172.9	167.3	0	0	111.8	S55 L56 G61 R62 K63	S55-E59 PolarHBondContact O-N 3.47Å; L56-E59 PolarHBondContact O-N 3.23Å; E59-G61 VanDerWaalsContact C-N 3.32Å; E59-G61 PolarHBondContact O-N 3.23Å; E59-R62 PolarHBondContact O-N 3.34Å; E59-K63 WeakPolarHBondContact O-CB 3.48Å; E59-K63 PolarHBondContact O-N 3.07Å
60	L	93.7	Very high	93.1	Very high	110 Å²	110	100.8 Å²	100.8	58%	0.576	53%	0.525	S	S	*	.	H	α-helix	trans	-63.9	-39.6	177.4	-163.1	72.8	0	0	0	111.2	L56 L57 K63 Q64	L56-L60 WeakPolarHBondContact O-CB 3.15Å; L56-L60 PolarHBondContact O-N 3.22Å; L57-L60 PolarHBondContact O-N 2.78Å; L60-K63 PolarHBondContact O-N 3.24Å; L60-Q64 WeakPolarHBondContact O-CB 3.37Å; L60-Q64 PolarHBondContact O-N 3.14Å
61	G	93.3	Very high	93.4	Very high	34 Å²	34	99.9 Å²	99.9	35%	0.351	52%	0.52	S	S	.	.	H	α-helix	trans	-64.2	-42	175.1	0	0	0	0	0	112.9	L57 E58 E59 K63 Q64 K65	L57-G61 PolarHBondContact O-N 3.33Å; E58-G61 PolarHBondContact O-N 3.02Å; E59-G61 VanDerWaalsContact C-N 3.32Å; E59-G61 PolarHBondContact O-N 3.23Å; G61-K63 VanDerWaalsContact C-N 3.35Å; G61-Q64 PolarHBondContact O-N 2.94Å; G61-K65 WeakPolarHBondContact O-CB 3.33Å; G61-K65 PolarHBondContact O-N 3.22Å
62	R	93.8	Very high	93.8	Very high	160 Å²	160	100.3 Å²	100.3	60%	0.604	52%	0.516	S	S	*	.	H	α-helix	trans	-63.8	-40.4	173.6	-72.9	-178.8	-168.8	136.6	13.4	111.7	E58 E59 K65 T66	E58-R62 WeakPolarHBondContact O-CG 3.45Å; E58-R62 PolarHBondContact O-N 3.45Å; E58-R62 IonicContact OE2-NH2 2.98Å; E58-R62 PolarHBondContact OE2-NH2 3.18Å; E59-R62 PolarHBondContact O-N 3.34Å; R62-K65 PolarHBondContact O-N 3.28Å; R62-T66 PolarHBondContact O-N 2.87Å; R62-T66 VanDerWaalsContact O-N 3.12Å; R62-T66 PolarHBondContact O-OG1 2.59Å
63	K	94.1	Very high	93.9	Very high	131 Å²	131	102.2 Å²	102.2	57%	0.57	52%	0.515	S	S	*	.	H	α-helix	trans	-65.4	-47.7	176.4	-170.1	175	180	-179.5	0	111.4	E59 L60 G61 K65 T66 D67	E59-K63 WeakPolarHBondContact O-CB 3.48Å; E59-K63 PolarHBondContact O-N 3.07Å; L60-K63 PolarHBondContact O-N 3.24Å; G61-K63 VanDerWaalsContact C-N 3.35Å; K63-K65 VanDerWaalsContact C-N 3.29Å; K63-K65 PolarHBondContact O-N 2.8Å; K63-T66 WeakPolarHBondContact O-CB 3.21Å; K63-T66 PolarHBondContact O-N 3.44Å; K63-T66 VanDerWaalsContact O-N 3.1Å; K63-D67 PolarHBondContact O-N 2.03Å
64	Q	94.4	Very high	94.1	Very high	132 Å²	132	101.9 Å²	101.9	62%	0.617	51%	0.511	S	S	*	.	H	α-helix	trans	-57.6	-40.8	176.6	-174.6	179.3	14	0	0	112	L60 G61 D67 M68	L60-Q64 WeakPolarHBondContact O-CB 3.37Å; L60-Q64 PolarHBondContact O-N 3.14Å; G61-Q64 PolarHBondContact O-N 2.94Å; Q64-D67 PolarHBondContact O-N 3.29Å; Q64-M68 VanDerWaalsContact O-CB 3.28Å; Q64-M68 WeakPolarHBondContact O-CB 3.32Å; Q64-M68 PolarHBondContact O-N 3.4Å
65	K	93.4	Very high	94.3	Very high	138 Å²	138	103.3 Å²	103.3	60%	0.6	52%	0.515	S	S	*	.	H	α-helix	trans	-64	-42.7	176.3	-172.4	174.9	-178.4	177.1	0	112	G61 R62 K63 M69	G61-K65 WeakPolarHBondContact O-CB 3.33Å; G61-K65 PolarHBondContact O-N 3.22Å; R62-K65 PolarHBondContact O-N 3.28Å; K63-K65 VanDerWaalsContact C-N 3.29Å; K63-K65 PolarHBondContact O-N 2.8Å; K65-M69 WeakPolarHBondContact O-CG 3.37Å; K65-M69 PolarHBondContact O-N 2.85Å
66	T	94.5	Very high	94.2	Very high	79 Å²	79	106.7 Å²	106.7	49%	0.485	53%	0.525	S	S	.	.	H	α-helix	trans	-64.6	-45.8	176.5	-54.1	0	0	0	0	111.3	R62 K63 M68 M69 N70	R62-T66 PolarHBondContact O-N 2.87Å; R62-T66 VanDerWaalsContact O-N 3.12Å; R62-T66 PolarHBondContact O-OG1 2.59Å; K63-T66 WeakPolarHBondContact O-CB 3.21Å; K63-T66 PolarHBondContact O-N 3.44Å; K63-T66 VanDerWaalsContact O-N 3.1Å; T66-M68 PolarHBondContact O-N 2.82Å; T66-M69 PolarHBondContact O-N 2.87Å; T66-N70 PolarHBondContact O-N 2.81Å; T66-N70 PolarHBondContact O-ND2 2.7Å
67	D	94.5	Very high	94.3	Very high	80 Å²	80	106.3 Å²	106.3	43%	0.428	52%	0.521	S	S	.	.	H	α-helix	trans	-63.7	-41.7	178.7	-69.2	-17.8	0	0	0	111.2	K63 Q64 M69 N70 V71	K63-D67 PolarHBondContact O-N 2.03Å; Q64-D67 PolarHBondContact O-N 3.29Å; D67-M69 PolarHBondContact O-N 2.87Å; D67-N70 WeakPolarHBondContact O-CB 3.23Å; D67-N70 PolarHBondContact O-N 3.15Å; D67-V71 WeakPolarHBondContact O-CG2 3.22Å; D67-V71 PolarHBondContact O-N 3.08Å
68	M	92.9	Very high	94.4	Very high	109 Å²	109	105.5 Å²	105.5	54%	0.537	52%	0.517	S	S	.	.	H	α-helix	trans	-60	-45.3	174	-174.9	65.2	72.5	0	0	111.8	Q64 T66 N70 V71 V72	Q64-M68 VanDerWaalsContact O-CB 3.28Å; Q64-M68 WeakPolarHBondContact O-CB 3.32Å; Q64-M68 PolarHBondContact O-N 3.4Å; T66-M68 PolarHBondContact O-N 2.82Å; M68-N70 VanDerWaalsContact C-N 3.29Å; M68-N70 PolarHBondContact O-N 3.17Å; M68-V71 PolarHBondContact O-N 3.36Å; M68-V72 HydrophobicContact CG-CG2 4.5Å; M68-V72 WeakPolarHBondContact O-CG2 3.12Å; M68-V72 PolarHBondContact O-N 2.95Å
69	M	93.3	Very high	94.3	Very high	121 Å²	121	104.9 Å²	104.9	60%	0.596	52%	0.517	S	S	*	.	H	α-helix	trans	-62	-37	176.3	-76.3	-179.4	169	0	0	112.2	K65 T66 D67 R73	K65-M69 WeakPolarHBondContact O-CG 3.37Å; K65-M69 PolarHBondContact O-N 2.85Å; T66-M69 PolarHBondContact O-N 2.87Å; D67-M69 PolarHBondContact O-N 2.87Å; M69-R73 WeakPolarHBondContact O-CB 3.25Å; M69-R73 PolarHBondContact O-N 2.97Å
70	N	95.4	Very high	94.3	Very high	67 Å²	67	104.7 Å²	104.7	36%	0.358	51%	0.514	S	S	.	.	H	α-helix	trans	-66	-42.6	175.6	-74.5	-35.9	0	0	0	112.2	T66 D67 M68 R73 Q74	T66-N70 PolarHBondContact O-N 2.81Å; T66-N70 PolarHBondContact O-ND2 2.7Å; D67-N70 WeakPolarHBondContact O-CB 3.23Å; D67-N70 PolarHBondContact O-N 3.15Å; M68-N70 VanDerWaalsContact C-N 3.29Å; M68-N70 PolarHBondContact O-N 3.17Å; N70-R73 PolarHBondContact O-N 3.5Å; N70-Q74 WeakPolarHBondContact O-CG 3.41Å; N70-Q74 PolarHBondContact O-N 2.94Å
71	V	95.8	Very high	94.3	Very high	69 Å²	69	104.2 Å²	104.2	42%	0.418	51%	0.509	S	S	.	.	H	α-helix	trans	-65.6	-45.8	176.9	172.9	0	0	0	0	111	D67 M68 R73 Q74 I75	D67-V71 WeakPolarHBondContact O-CG2 3.22Å; D67-V71 PolarHBondContact O-N 3.08Å; M68-V71 PolarHBondContact O-N 3.36Å; V71-R73 VanDerWaalsContact C-N 3.29Å; V71-R73 PolarHBondContact O-N 3.47Å; V71-Q74 WeakPolarHBondContact O-CB 3.34Å; V71-Q74 PolarHBondContact O-N 2.95Å; V71-Q74 VanDerWaalsContact O-N 3.08Å; V71-I75 HydrophobicContact CG1-CD1 3.88Å; V71-I75 HydrophobicContact CG1-CG1 4.37Å; V71-I75 WeakPolarHBondContact O-CG1 3.2Å; V71-I75 PolarHBondContact O-N 2.93Å
72	V	95.8	Very high	94.2	Very high	71 Å²	71	106.7 Å²	106.7	43%	0.43	51%	0.514	S	S	.	.	H	α-helix	trans	-59.1	-42.6	177.4	171	0	0	0	0	110.9	M68 Q74 I75 M76	M68-V72 HydrophobicContact CG-CG2 4.5Å; M68-V72 WeakPolarHBondContact O-CG2 3.12Å; M68-V72 PolarHBondContact O-N 2.95Å; V72-Q74 VanDerWaalsContact C-N 3.33Å; V72-Q74 PolarHBondContact O-N 3.22Å; V72-I75 PolarHBondContact O-N 2.74Å; V72-M76 HydrophobicContact CG1-SD 4.31Å; V72-M76 WeakPolarHBondContact O-CG 3.21Å; V72-M76 PolarHBondContact O-N 2.93Å
73	R	95.5	Very high	94	Very high	151 Å²	151	104.6 Å²	104.6	57%	0.57	51%	0.511	S	S	*	.	H	α-helix	trans	-62.1	-39.5	175.5	-176.2	-179.6	58.3	77.4	2.2	112.4	M69 N70 V71 E77	M69-R73 WeakPolarHBondContact O-CB 3.25Å; M69-R73 PolarHBondContact O-N 2.97Å; N70-R73 PolarHBondContact O-N 3.5Å; V71-R73 VanDerWaalsContact C-N 3.29Å; V71-R73 PolarHBondContact O-N 3.47Å; R73-E77 PolarHBondContact O-N 3.43Å; R73-E77 VanDerWaalsContact O-N 3.14Å
74	Q	95.3	Very high	94	Very high	111 Å²	111	104 Å²	104	52%	0.519	51%	0.51	S	S	.	.	H	α-helix	trans	-66	-40.9	175	-74.8	176.4	-12.4	0	0	112	N70 V71 V72 E77 L78	N70-Q74 WeakPolarHBondContact O-CG 3.41Å; N70-Q74 PolarHBondContact O-N 2.94Å; V71-Q74 WeakPolarHBondContact O-CB 3.34Å; V71-Q74 PolarHBondContact O-N 2.95Å; V71-Q74 VanDerWaalsContact O-N 3.08Å; V72-Q74 VanDerWaalsContact C-N 3.33Å; V72-Q74 PolarHBondContact O-N 3.22Å; Q74-E77 PolarHBondContact O-N 3.19Å; Q74-L78 WeakPolarHBondContact O-CG 3.44Å; Q74-L78 PolarHBondContact O-N 2.85Å
75	I	94.9	Very high	93.9	Very high	100 Å²	100	102.2 Å²	102.2	51%	0.513	50%	0.504	S	S	.	.	H	α-helix	trans	-61.6	-45.5	176.4	-68.7	169.5	0	0	0	110.3	V71 V72 E77 L78 D79	V71-I75 HydrophobicContact CG1-CD1 3.88Å; V71-I75 HydrophobicContact CG1-CG1 4.37Å; V71-I75 WeakPolarHBondContact O-CG1 3.2Å; V71-I75 PolarHBondContact O-N 2.93Å; V72-I75 PolarHBondContact O-N 2.74Å; I75-E77 VanDerWaalsContact C-N 3.3Å; I75-E77 PolarHBondContact O-N 3.33Å; I75-L78 PolarHBondContact O-N 2.86Å; I75-D79 VanDerWaalsContact O-CB 3.31Å; I75-D79 WeakPolarHBondContact O-CB 3.36Å; I75-D79 PolarHBondContact O-N 2.69Å
76	M	92.3	Very high	93.7	Very high	130 Å²	130	100.4 Å²	100.4	64%	0.64	50%	0.498	S	S	*	.	H	α-helix	trans	-62.2	-36.5	177.6	-69.9	179.1	71.4	0	0	112.7	V72 K80	V72-M76 HydrophobicContact CG1-SD 4.31Å; V72-M76 WeakPolarHBondContact O-CG 3.21Å; V72-M76 PolarHBondContact O-N 2.93Å; M76-K80 WeakPolarHBondContact O-CB 3.26Å; M76-K80 PolarHBondContact O-N 2.96Å; M76-K80 VanDerWaalsContact O-N 3.09Å
77	E	96.2	Very high	93.4	Very high	95 Å²	95	98.6 Å²	98.6	44%	0.444	50%	0.495	S	S	.	.	H	α-helix	trans	-70.6	-39.1	176.2	-166.6	64.9	-150.2	0	0	111.6	R73 Q74 I75 K80 Q81	R73-E77 PolarHBondContact O-N 3.43Å; R73-E77 VanDerWaalsContact O-N 3.14Å; Q74-E77 PolarHBondContact O-N 3.19Å; I75-E77 VanDerWaalsContact C-N 3.3Å; I75-E77 PolarHBondContact O-N 3.33Å; E77-K80 PolarHBondContact O-N 3.46Å; E77-Q81 WeakPolarHBondContact O-CG 3.03Å; E77-Q81 PolarHBondContact O-N 3.44Å
78	L	94.6	Very high	93.3	Very high	108 Å²	108	103.1 Å²	103.1	57%	0.565	51%	0.506	S	S	*	.	H	α-helix	trans	-65	-43.5	174.8	-76.1	169.3	0	0	0	111.8	Q74 I75 K80 Q81 D82	Q74-L78 WeakPolarHBondContact O-CG 3.44Å; Q74-L78 PolarHBondContact O-N 2.85Å; I75-L78 PolarHBondContact O-N 2.86Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 2.75Å; L78-Q81 CarbonylContact O-C 3.59Å; L78-Q81 WeakPolarHBondContact O-CB 3.46Å; L78-Q81 PolarHBondContact O-N 3.09Å; L78-Q81 VanDerWaalsContact O-N 3.1Å; L78-D82 WeakPolarHBondContact O-CB 3.45Å; L78-D82 PolarHBondContact O-N 3.06Å
79	D	92	Very high	93.1	Very high	90 Å²	90	101.3 Å²	101.3	48%	0.481	50%	0.501	S	S	.	.	H	α-helix	trans	-60.6	-42.9	177.1	-173.8	75.6	0	0	0	111.5	I75 Q81 D82 H83	I75-D79 VanDerWaalsContact O-CB 3.31Å; I75-D79 WeakPolarHBondContact O-CB 3.36Å; I75-D79 PolarHBondContact O-N 2.69Å; D79-Q81 VanDerWaalsContact C-N 3.33Å; D79-Q81 PolarHBondContact O-N 2.91Å; D79-D82 PolarHBondContact O-N 2.94Å; D79-H83 PolarHBondContact O-N 3.22Å
80	K	94.8	Very high	92.9	Very high	112 Å²	112	99.7 Å²	99.7	49%	0.487	50%	0.498	S	S	.	.	H	α-helix	trans	-61.1	-41.1	172.4	-178	-174.3	173.6	-166.6	0	112.2	M76 E77 L78 Q84	M76-K80 WeakPolarHBondContact O-CB 3.26Å; M76-K80 PolarHBondContact O-N 2.96Å; M76-K80 VanDerWaalsContact O-N 3.09Å; E77-K80 PolarHBondContact O-N 3.46Å; L78-K80 VanDerWaalsContact C-N 3.33Å; L78-K80 PolarHBondContact O-N 2.75Å; K80-Q84 WeakPolarHBondContact O-CG 3.44Å; K80-Q84 PolarHBondContact O-N 2.95Å; K80-Q84 VanDerWaalsContact O-N 3.11Å
81	Q	94.4	Very high	92.6	Very high	101 Å²	101	101.3 Å²	101.3	47%	0.472	50%	0.503	S	S	.	.	H	α-helix	trans	-67.2	-38.2	176.5	-74.3	176.9	-2.6	0	0	111.9	E77 L78 D79 Q84 L85	E77-Q81 WeakPolarHBondContact O-CG 3.03Å; E77-Q81 PolarHBondContact O-N 3.44Å; L78-Q81 CarbonylContact O-C 3.59Å; L78-Q81 WeakPolarHBondContact O-CB 3.46Å; L78-Q81 PolarHBondContact O-N 3.09Å; L78-Q81 VanDerWaalsContact O-N 3.1Å; D79-Q81 VanDerWaalsContact C-N 3.33Å; D79-Q81 PolarHBondContact O-N 2.91Å; Q81-Q84 PolarHBondContact O-N 3.35Å; Q81-L85 WeakPolarHBondContact O-CB 3.44Å; Q81-L85 PolarHBondContact O-N 2.84Å
82	D	89.9	Confident	92.1	Very high	86 Å²	86	100.8 Å²	100.8	46%	0.46	51%	0.506	S	S	.	.	H	α-helix	trans	-62.9	-50.2	177.9	-161.7	53.8	0	0	0	110.7	L78 D79 Q84 L85 E86	L78-D82 WeakPolarHBondContact O-CB 3.45Å; L78-D82 PolarHBondContact O-N 3.06Å; D79-D82 PolarHBondContact O-N 2.94Å; D82-Q84 VanDerWaalsContact C-N 3.3Å; D82-Q84 PolarHBondContact O-N 3.11Å; D82-L85 CarbonylContact O-C 3.42Å; D82-L85 WeakPolarHBondContact O-CA 3.26Å; D82-L85 WeakPolarHBondContact O-CB 3.46Å; D82-L85 PolarHBondContact O-N 3.41Å; D82-E86 WeakPolarHBondContact O-CG 3.5Å; D82-E86 PolarHBondContact O-N 3.33Å
83	H	90.5	Very high	91.5	Very high	116 Å²	116	103.3 Å²	103.3	54%	0.537	51%	0.513	S	S	.	.	H	α-helix	trans	-60.3	-36.8	174.3	-85.1	-32.8	0	0	0	113.6	D79 L85 E86 G87	D79-H83 PolarHBondContact O-N 3.22Å; H83-L85 VanDerWaalsContact C-N 3.32Å; H83-E86 IonicContact CE1-OE2 2.99Å; H83-E86 IonicContact ND1-OE2 3.33Å; H83-E86 PolarHBondContact ND1-OE2 2.68Å; H83-G87 PolarHBondContact O-N 2.89Å
84	Q	92.8	Very high	90.8	Very high	117 Å²	117	99.9 Å²	99.9	55%	0.547	51%	0.512	S	S	.	.	H	α-helix	trans	-65.5	-37.2	173	-77.6	-177.1	-16.9	0	0	112	K80 Q81 D82 R88	K80-Q84 WeakPolarHBondContact O-CG 3.44Å; K80-Q84 PolarHBondContact O-N 2.95Å; K80-Q84 VanDerWaalsContact O-N 3.11Å; Q81-Q84 PolarHBondContact O-N 3.35Å; D82-Q84 VanDerWaalsContact C-N 3.3Å; D82-Q84 PolarHBondContact O-N 3.11Å; Q84-R88 VanDerWaalsContact O-CG 3.31Å; Q84-R88 WeakPolarHBondContact O-CG 3.32Å; Q84-R88 PolarHBondContact O-N 2.98Å
85	L	92.9	Very high	90.3	Very high	96 Å²	96	99.8 Å²	99.8	50%	0.503	51%	0.51	S	S	.	.	H	α-helix	trans	-69.3	-44.7	178	-166.5	69.2	0	0	0	111	Q81 D82 H83 G87 R88 V89	Q81-L85 WeakPolarHBondContact O-CB 3.44Å; Q81-L85 PolarHBondContact O-N 2.84Å; D82-L85 CarbonylContact O-C 3.42Å; D82-L85 WeakPolarHBondContact O-CA 3.26Å; D82-L85 WeakPolarHBondContact O-CB 3.46Å; D82-L85 PolarHBondContact O-N 3.41Å; H83-L85 VanDerWaalsContact C-N 3.32Å; L85-G87 VanDerWaalsContact C-N 3.33Å; L85-G87 PolarHBondContact O-N 2.95Å; L85-R88 WeakPolarHBondContact O-CB 3.46Å; L85-R88 PolarHBondContact O-N 3.24Å; L85-R88 VanDerWaalsContact O-N 3.13Å; L85-V89 WeakPolarHBondContact O-CG2 3.38Å; L85-V89 PolarHBondContact O-N 3.07Å
86	E	89.6	Confident	89.5	Confident	99 Å²	99	101.2 Å²	101.2	46%	0.463	51%	0.51	S	S	.	.	H	α-helix	trans	-57.2	-44.6	174.9	-72	-176.3	141.7	0	0	112	D82 H83 R88 V89 T90	D82-E86 WeakPolarHBondContact O-CG 3.5Å; D82-E86 PolarHBondContact O-N 3.33Å; H83-E86 IonicContact CE1-OE2 2.99Å; H83-E86 IonicContact ND1-OE2 3.33Å; H83-E86 PolarHBondContact ND1-OE2 2.68Å; E86-R88 VanDerWaalsContact C-N 3.32Å; E86-R88 PolarHBondContact O-N 3.36Å; E86-V89 PolarHBondContact O-N 3.42Å; E86-T90 WeakPolarHBondContact O-CB 3.3Å; E86-T90 PolarHBondContact O-N 3.45Å; E86-T90 PolarHBondContact O-OG1 3.01Å
87	G	88.5	Confident	88.7	Confident	41 Å²	41	96.4 Å²	96.4	42%	0.423	49%	0.489	S	S	.	.	H	α-helix	trans	-60.3	-41.8	175.6	0	0	0	0	0	112.5	H83 L85 T90 E91	H83-G87 PolarHBondContact O-N 2.89Å; L85-G87 VanDerWaalsContact C-N 3.33Å; L85-G87 PolarHBondContact O-N 2.95Å; G87-T90 PolarHBondContact O-N 2.8Å; G87-E91 WeakPolarHBondContact O-CB 3.24Å; G87-E91 PolarHBondContact O-N 3.22Å
88	R	91.6	Very high	87.8	Confident	176 Å²	176	96.3 Å²	96.3	66%	0.664	49%	0.489	S	S	*	.	H	α-helix	trans	-68.4	-36.8	176.6	-71.4	174.7	66.2	-166.7	-0.7	112.8	Q84 L85 E86 A92	Q84-R88 VanDerWaalsContact O-CG 3.31Å; Q84-R88 WeakPolarHBondContact O-CG 3.32Å; Q84-R88 PolarHBondContact O-N 2.98Å; L85-R88 WeakPolarHBondContact O-CB 3.46Å; L85-R88 PolarHBondContact O-N 3.24Å; L85-R88 VanDerWaalsContact O-N 3.13Å; E86-R88 VanDerWaalsContact C-N 3.32Å; E86-R88 PolarHBondContact O-N 3.36Å; R88-A92 VanDerWaalsContact O-CB 3.31Å; R88-A92 WeakPolarHBondContact O-CB 3.42Å; R88-A92 PolarHBondContact O-N 3.26Å
89	V	89.4	Confident	86.9	Confident	70 Å²	70	96 Å²	96	42%	0.424	49%	0.486	S	S	.	.	H	α-helix	trans	-64.4	-48.2	174.9	170	0	0	0	0	109.6	L85 E86 E91 A92 E93	L85-V89 WeakPolarHBondContact O-CG2 3.38Å; L85-V89 PolarHBondContact O-N 3.07Å; E86-V89 PolarHBondContact O-N 3.42Å; V89-E91 VanDerWaalsContact C-N 3.31Å; V89-E91 PolarHBondContact O-N 3.07Å; V89-A92 CarbonylContact O-C 3.56Å; V89-A92 WeakPolarHBondContact O-CB 3.36Å; V89-A92 PolarHBondContact O-N 3.07Å; V89-A92 VanDerWaalsContact O-N 3.1Å; V89-E93 HydrophobicContact CG1-CG 4.3Å; V89-E93 WeakPolarHBondContact O-CB 3.38Å; V89-E93 WeakPolarHBondContact O-CG 3.22Å; V89-E93 PolarHBondContact O-N 3.42Å
90	T	88.1	Confident	85.8	Confident	87 Å²	87	93.9 Å²	93.9	53%	0.534	48%	0.475	S	S	.	.	H	α-helix	trans	-59.1	-42.3	177.8	-52.8	0	0	0	0	111.6	E86 G87 E93 S94	E86-T90 WeakPolarHBondContact O-CB 3.3Å; E86-T90 PolarHBondContact O-N 3.45Å; E86-T90 PolarHBondContact O-OG1 3.01Å; G87-T90 PolarHBondContact O-N 2.8Å; T90-E93 PolarHBondContact O-N 3.21Å; T90-S94 WeakPolarHBondContact O-CB 3.25Å; T90-S94 PolarHBondContact O-N 2.86Å
91	E	90.5	Very high	84.6	Confident	101 Å²	101	91.5 Å²	91.5	47%	0.472	47%	0.468	S	S	.	.	H	α-helix	trans	-65.3	-41.6	175.6	-169	-172.3	162	0	0	112	G87 V89 S94 K95	G87-E91 WeakPolarHBondContact O-CB 3.24Å; G87-E91 PolarHBondContact O-N 3.22Å; V89-E91 VanDerWaalsContact C-N 3.31Å; V89-E91 PolarHBondContact O-N 3.07Å; E91-S94 PolarHBondContact O-N 3.45Å; E91-K95 HydrophobicContact CG-CD 4.31Å; E91-K95 WeakPolarHBondContact O-CB 3.34Å; E91-K95 WeakPolarHBondContact O-CG 3.48Å; E91-K95 PolarHBondContact O-N 3.38Å; E91-K95 VanDerWaalsContact OE1-CE 3.31Å; E91-K95 WeakPolarHBondContact OE1-CE 3.43Å; E91-K95 IonicContact OE1-NZ 2.71Å; E91-K95 PolarHBondContact OE1-NZ 2.96Å
92	A	85.4	Confident	83.6	Confident	58 Å²	58	93.9 Å²	93.9	48%	0.479	47%	0.472	S	S	.	.	H	α-helix	trans	-65.4	-41.1	176.9	0	0	0	0	0	111.9	R88 V89 K95 Y96	R88-A92 VanDerWaalsContact O-CB 3.31Å; R88-A92 WeakPolarHBondContact O-CB 3.42Å; R88-A92 PolarHBondContact O-N 3.26Å; V89-A92 CarbonylContact O-C 3.56Å; V89-A92 WeakPolarHBondContact O-CB 3.36Å; V89-A92 PolarHBondContact O-N 3.07Å; V89-A92 VanDerWaalsContact O-N 3.1Å; A92-K95 PolarHBondContact O-N 3.44Å; A92-Y96 VanDerWaalsContact O-CB 3.23Å; A92-Y96 WeakPolarHBondContact O-CB 3.42Å; A92-Y96 PolarHBondContact O-N 3.25Å
93	E	81.8	Confident	82.5	Confident	125 Å²	125	92.8 Å²	92.8	58%	0.584	47%	0.469	S	S	*	.	H	α-helix	trans	-62.6	-43.2	174.5	-73.8	179.4	162.2	0	0	111.4	V89 T90 Y96 S97	V89-E93 HydrophobicContact CG1-CG 4.3Å; V89-E93 WeakPolarHBondContact O-CB 3.38Å; V89-E93 WeakPolarHBondContact O-CG 3.22Å; V89-E93 PolarHBondContact O-N 3.42Å; T90-E93 PolarHBondContact O-N 3.21Å; E93-Y96 PolarHBondContact O-N 2.95Å; E93-S97 WeakPolarHBondContact O-CB 3.44Å; E93-S97 PolarHBondContact O-N 2.88Å
94	S	81.9	Confident	81.3	Confident	78 Å²	78	91.2 Å²	91.2	55%	0.545	46%	0.462	S	S	.	.	H	α-helix	trans	-61.9	-47.5	175.2	-177.3	0	0	0	0	111.9	T90 E91 Y96 S97 E98	T90-S94 WeakPolarHBondContact O-CB 3.25Å; T90-S94 PolarHBondContact O-N 2.86Å; E91-S94 PolarHBondContact O-N 3.45Å; S94-Y96 PolarHBondContact O-N 2.92Å; S94-S97 WeakPolarHBondContact O-CB 3.3Å; S94-S97 PolarHBondContact O-N 3.48Å; S94-E98 PolarHBondContact O-N 3.22Å
95	K	84.6	Confident	80.1	Confident	109 Å²	109	90 Å²	90	47%	0.474	46%	0.458	S	S	.	.	H	α-helix	trans	-63.7	-39.6	176.4	-76.7	173.2	171.8	170.3	0	112.3	E91 A92 E98 I99	E91-K95 HydrophobicContact CG-CD 4.31Å; E91-K95 WeakPolarHBondContact O-CB 3.34Å; E91-K95 WeakPolarHBondContact O-CG 3.48Å; E91-K95 PolarHBondContact O-N 3.38Å; E91-K95 VanDerWaalsContact OE1-CE 3.31Å; E91-K95 WeakPolarHBondContact OE1-CE 3.43Å; E91-K95 IonicContact OE1-NZ 2.71Å; E91-K95 PolarHBondContact OE1-NZ 2.96Å; A92-K95 PolarHBondContact O-N 3.44Å; K95-E98 PolarHBondContact O-N 2.85Å; K95-I99 WeakPolarHBondContact O-CB 3.24Å; K95-I99 VanDerWaalsContact O-CG1 3.27Å; K95-I99 WeakPolarHBondContact O-CG1 3Å; K95-I99 PolarHBondContact O-N 2.81Å
96	Y	77.9	Confident	78.5	Confident	130 Å²	130	91.4 Å²	91.4	51%	0.51	46%	0.464	S	S	.	.	H	α-helix	trans	-64.4	-41.2	175.5	-178	-102.9	0	0	0	111.4	A92 E93 S94 I99 N100 L238	A92-Y96 VanDerWaalsContact O-CB 3.23Å; A92-Y96 WeakPolarHBondContact O-CB 3.42Å; A92-Y96 PolarHBondContact O-N 3.25Å; E93-Y96 PolarHBondContact O-N 2.95Å; S94-Y96 PolarHBondContact O-N 2.92Å; Y96-I99 PolarHBondContact O-N 2.82Å; Y96-N100 WeakPolarHBondContact CE1-ND2 3.29Å; Y96-N100 WeakPolarHBondContact O-CB 3.33Å; Y96-N100 PolarHBondContact O-N 2.75Å; Y96-N100 PolarHBondContact OH-ND2 2.99Å; Y96-L238 HydrophobicContact CE1-CD1 4.19Å
97	S	74.7	Confident	77.1	Confident	29 Å²	29	90.7 Å²	90.7	20%	0.203	46%	0.46	C	S	.	.	H	α-helix	trans	-61.1	-44.9	172.8	-175.6	0	0	0	0	111.7	E93 S94 I99 N100 N101	E93-S97 WeakPolarHBondContact O-CB 3.44Å; E93-S97 PolarHBondContact O-N 2.88Å; S94-S97 WeakPolarHBondContact O-CB 3.3Å; S94-S97 PolarHBondContact O-N 3.48Å; S97-I99 PolarHBondContact O-N 2.98Å; S97-N100 PolarHBondContact O-N 3.01Å; S97-N101 WeakPolarHBondContact O-CB 3.36Å; S97-N101 PolarHBondContact O-N 3.15Å; S97-N101 PolarHBondContact O-ND2 2.66Å
98	E	78.1	Confident	75.5	Confident	94 Å²	94	93 Å²	93	44%	0.439	46%	0.463	S	S	.	.	H	α-helix	trans	-62.1	-44	176.4	-168.1	-175.5	171.1	0	0	112.2	S94 K95 N101 R102	S94-E98 PolarHBondContact O-N 3.22Å; K95-E98 PolarHBondContact O-N 2.85Å; E98-N101 PolarHBondContact O-N 2.71Å; E98-R102 WeakPolarHBondContact O-CB 3.27Å; E98-R102 VanDerWaalsContact O-CG 3.3Å; E98-R102 WeakPolarHBondContact O-CG 3.35Å; E98-R102 PolarHBondContact O-N 2.66Å; E98-R102 IonicContact OE1-CZ 3.39Å; E98-R102 IonicContact OE1-NE 3.42Å; E98-R102 PolarHBondContact OE1-NE 2.9Å; E98-R102 IonicContact OE1-NH2 2.68Å; E98-R102 PolarHBondContact OE1-NH2 3.34Å
99	I	75.1	Confident	74.1	Confident	100 Å²	100	90.2 Å²	90.2	51%	0.513	46%	0.457	S	S	.	.	H	α-helix	trans	-62.7	-45.4	176.3	-70.4	166.3	0	0	0	110.5	K95 Y96 S97 R102 V103	K95-I99 WeakPolarHBondContact O-CB 3.24Å; K95-I99 VanDerWaalsContact O-CG1 3.27Å; K95-I99 WeakPolarHBondContact O-CG1 3Å; K95-I99 PolarHBondContact O-N 2.81Å; Y96-I99 PolarHBondContact O-N 2.82Å; S97-I99 PolarHBondContact O-N 2.98Å; I99-R102 WeakPolarHBondContact O-CB 3.4Å; I99-R102 PolarHBondContact O-N 2.87Å; I99-V103 HydrophobicContact CG2-CG2 4.47Å; I99-V103 WeakPolarHBondContact O-CG2 3.29Å; I99-V103 PolarHBondContact O-N 2.97Å
100	N	68.3	Low	72.3	Confident	47 Å²	47	91.3 Å²	91.3	25%	0.251	46%	0.464	S	S	.	.	H	α-helix	trans	-66.1	-40.2	179	-82.7	-2.5	0	0	0	112.4	Y96 S97 R102 V103 E104	Y96-N100 WeakPolarHBondContact CE1-ND2 3.29Å; Y96-N100 WeakPolarHBondContact O-CB 3.33Å; Y96-N100 PolarHBondContact O-N 2.75Å; Y96-N100 PolarHBondContact OH-ND2 2.99Å; S97-N100 PolarHBondContact O-N 3.01Å; N100-R102 VanDerWaalsContact C-N 3.28Å; N100-R102 PolarHBondContact O-N 2.85Å; N100-V103 PolarHBondContact O-N 2.98Å; N100-V103 VanDerWaalsContact O-N 3.17Å; N100-E104 WeakPolarHBondContact O-CB 3.33Å; N100-E104 PolarHBondContact O-N 2.84Å
101	N	70.3	Confident	70.3	Confident	61 Å²	61	91 Å²	91	33%	0.326	46%	0.459	S	S	.	.	H	α-helix	trans	-62.7	-37.6	173.6	-68.3	-23.4	0	0	0	111.1	S97 E98 E104 I105	S97-N101 WeakPolarHBondContact O-CB 3.36Å; S97-N101 PolarHBondContact O-N 3.15Å; S97-N101 PolarHBondContact O-ND2 2.66Å; E98-N101 PolarHBondContact O-N 2.71Å; N101-E104 PolarHBondContact O-N 3.22Å; N101-I105 WeakPolarHBondContact O-CB 3.43Å; N101-I105 WeakPolarHBondContact O-CG1 3.45Å; N101-I105 PolarHBondContact O-N 3.47Å
102	R	73	Confident	68.6	Low	151 Å²	151	94.3 Å²	94.3	57%	0.57	47%	0.474	S	S	*	.	H	α-helix	trans	-67.3	-38.6	173.3	-73.2	176.4	-174.1	-154.8	4.7	112.1	E98 I99 N100 E104 I105 M106	E98-R102 WeakPolarHBondContact O-CB 3.27Å; E98-R102 VanDerWaalsContact O-CG 3.3Å; E98-R102 WeakPolarHBondContact O-CG 3.35Å; E98-R102 PolarHBondContact O-N 2.66Å; E98-R102 IonicContact OE1-CZ 3.39Å; E98-R102 IonicContact OE1-NE 3.42Å; E98-R102 PolarHBondContact OE1-NE 2.9Å; E98-R102 IonicContact OE1-NH2 2.68Å; E98-R102 PolarHBondContact OE1-NH2 3.34Å; I99-R102 WeakPolarHBondContact O-CB 3.4Å; I99-R102 PolarHBondContact O-N 2.87Å; N100-R102 VanDerWaalsContact C-N 3.28Å; N100-R102 PolarHBondContact O-N 2.85Å; R102-E104 VanDerWaalsContact C-N 3.34Å; R102-I105 PolarHBondContact O-N 2.73Å; R102-M106 WeakPolarHBondContact O-CB 3.47Å; R102-M106 PolarHBondContact O-N 2.87Å
103	V	68.4	Low	66.9	Low	64 Å²	64	96.7 Å²	96.7	39%	0.388	49%	0.487	S	S	.	.	H	α-helix	trans	-63.3	-42.7	173.5	170.3	0	0	0	0	110.2	I99 N100 M106 Q107	I99-V103 HydrophobicContact CG2-CG2 4.47Å; I99-V103 WeakPolarHBondContact O-CG2 3.29Å; I99-V103 PolarHBondContact O-N 2.97Å; N100-V103 PolarHBondContact O-N 2.98Å; N100-V103 VanDerWaalsContact O-N 3.17Å; V103-M106 PolarHBondContact O-N 2.87Å; V103-Q107 HydrophobicContact CG1-CG 4.41Å; V103-Q107 VanDerWaalsContact O-CB 3.31Å; V103-Q107 WeakPolarHBondContact O-CB 3.41Å; V103-Q107 VanDerWaalsContact O-CG 3.26Å; V103-Q107 WeakPolarHBondContact O-CG 3.5Å; V103-Q107 PolarHBondContact O-N 3.22Å
104	E	65.3	Low	65	Low	82 Å²	82	93.8 Å²	93.8	38%	0.383	49%	0.485	S	S	.	.	H	α-helix	trans	-65.4	-42.2	177	-165.5	167	-154.9	0	0	111.1	N100 N101 R102 Q107 L108	N100-E104 WeakPolarHBondContact O-CB 3.33Å; N100-E104 PolarHBondContact O-N 2.84Å; N101-E104 PolarHBondContact O-N 3.22Å; R102-E104 VanDerWaalsContact C-N 3.34Å; E104-Q107 WeakPolarHBondContact O-CB 3.05Å; E104-Q107 PolarHBondContact O-N 3.32Å; E104-L108 WeakPolarHBondContact O-CB 3.31Å; E104-L108 WeakPolarHBondContact O-CG 3.29Å; E104-L108 PolarHBondContact O-N 3.35Å
105	I	66.8	Low	63	Low	93 Å²	93	96.1 Å²	96.1	48%	0.477	50%	0.496	S	S	.	.	H	α-helix	trans	-65	-40.1	173.3	-68.8	165.6	0	0	0	111.6	N101 R102 Q107 L108 Q109	N101-I105 WeakPolarHBondContact O-CB 3.43Å; N101-I105 WeakPolarHBondContact O-CG1 3.45Å; N101-I105 PolarHBondContact O-N 3.47Å; R102-I105 PolarHBondContact O-N 2.73Å; I105-Q107 VanDerWaalsContact C-N 3.32Å; I105-L108 PolarHBondContact O-N 3.47Å; I105-Q109 WeakPolarHBondContact O-CB 3.48Å; I105-Q109 VanDerWaalsContact O-CG 3.3Å; I105-Q109 WeakPolarHBondContact O-CG 3.27Å; I105-Q109 PolarHBondContact O-N 3.25Å
106	M	59	Low	61.1	Low	125 Å²	125	100.6 Å²	100.6	62%	0.616	52%	0.518	S	S	*	.	H	α-helix	trans	-69.5	-32.2	177.8	-168	178.5	-64.5	0	0	111.6	R102 V103 T110	R102-M106 WeakPolarHBondContact O-CB 3.47Å; R102-M106 PolarHBondContact O-N 2.87Å; V103-M106 PolarHBondContact O-N 2.87Å; M106-T110 PolarHBondContact O-N 2.89Å; M106-T110 VanDerWaalsContact O-N 3.07Å; M106-T110 PolarHBondContact O-OG1 2.86Å
107	Q	60.3	Low	59.1	Low	83 Å²	83	99.4 Å²	99.4	39%	0.388	53%	0.525	S	S	.	.	H	α-helix	trans	-68.5	-43.6	168.7	-77.6	175.7	-15	0	0	111	V103 E104 I105 Q109 T110 L111	V103-Q107 HydrophobicContact CG1-CG 4.41Å; V103-Q107 VanDerWaalsContact O-CB 3.31Å; V103-Q107 WeakPolarHBondContact O-CB 3.41Å; V103-Q107 VanDerWaalsContact O-CG 3.26Å; V103-Q107 WeakPolarHBondContact O-CG 3.5Å; V103-Q107 PolarHBondContact O-N 3.22Å; E104-Q107 WeakPolarHBondContact O-CB 3.05Å; E104-Q107 PolarHBondContact O-N 3.32Å; I105-Q107 VanDerWaalsContact C-N 3.32Å; Q107-Q109 VanDerWaalsContact C-N 3.31Å; Q107-Q109 PolarHBondContact O-N 2.84Å; Q107-T110 VanDerWaalsContact CA-OG1 3.25Å; Q107-T110 WeakPolarHBondContact CA-OG1 3.45Å; Q107-T110 PolarHBondContact O-N 3.36Å; Q107-T110 PolarHBondContact O-OG1 2.9Å; Q107-L111 WeakPolarHBondContact O-CB 3.35Å; Q107-L111 WeakPolarHBondContact O-CD1 3.27Å; Q107-L111 WeakPolarHBondContact O-CG 3.4Å; Q107-L111 PolarHBondContact O-N 3.07Å
108	L	55.4	Low	57.7	Low	91 Å²	91	103.9 Å²	103.9	48%	0.476	56%	0.556	S	S	.	*	H	α-helix	trans	-62.6	-36.1	175	-71.8	169.4	0	0	0	112.4	E104 I105 L111 Q112	E104-L108 WeakPolarHBondContact O-CB 3.31Å; E104-L108 WeakPolarHBondContact O-CG 3.29Å; E104-L108 PolarHBondContact O-N 3.35Å; I105-L108 PolarHBondContact O-N 3.47Å; L108-L111 HydrophobicContact CD2-CD1 4.09Å; L108-L111 WeakPolarHBondContact O-CB 3.23Å; L108-L111 PolarHBondContact O-N 3.43Å; L108-Q112 WeakPolarHBondContact O-CG 3.46Å; L108-Q112 PolarHBondContact O-N 3.05Å; L108-Q112 VanDerWaalsContact O-N 3.09Å
109	Q	61.3	Low	56.1	Low	117 Å²	117	104.7 Å²	104.7	55%	0.547	57%	0.572	S	S	.	*	H	α-helix	trans	-71.3	-35.2	175	-73.9	173.9	-17	0	0	112.6	I105 Q107 Q112	I105-Q109 WeakPolarHBondContact O-CB 3.48Å; I105-Q109 VanDerWaalsContact O-CG 3.3Å; I105-Q109 WeakPolarHBondContact O-CG 3.27Å; I105-Q109 PolarHBondContact O-N 3.25Å; Q107-Q109 VanDerWaalsContact C-N 3.31Å; Q107-Q109 PolarHBondContact O-N 2.84Å; Q109-Q112 PolarHBondContact O-N 3.37Å
110	T	52.2	Low	54.9	Low	92 Å²	92	104.1 Å²	104.1	56%	0.564	57%	0.57	S	S	*	*	H	α-helix	trans	-72.2	-31.3	171.7	38.7	0	0	0	0	112.1	M106 Q107 S113 A114	M106-T110 PolarHBondContact O-N 2.89Å; M106-T110 VanDerWaalsContact O-N 3.07Å; M106-T110 PolarHBondContact O-OG1 2.86Å; Q107-T110 VanDerWaalsContact CA-OG1 3.25Å; Q107-T110 WeakPolarHBondContact CA-OG1 3.45Å; Q107-T110 PolarHBondContact O-N 3.36Å; Q107-T110 PolarHBondContact O-OG1 2.9Å; T110-S113 PolarHBondContact O-N 3.3Å; T110-A114 PolarHBondContact O-N 3.22Å
111	L	46.1	Very low	54.6	Low	81 Å²	81	105.5 Å²	105.5	42%	0.424	59%	0.588	S	S	.	*	H	α-helix	trans	-66.2	-31.6	171.9	-72.6	163.9	0	0	0	113.2	Q107 L108 S113 A114	Q107-L111 WeakPolarHBondContact O-CB 3.35Å; Q107-L111 WeakPolarHBondContact O-CD1 3.27Å; Q107-L111 WeakPolarHBondContact O-CG 3.4Å; Q107-L111 PolarHBondContact O-N 3.07Å; L108-L111 HydrophobicContact CD2-CD1 4.09Å; L108-L111 WeakPolarHBondContact O-CB 3.23Å; L108-L111 PolarHBondContact O-N 3.43Å; L111-S113 PolarHBondContact O-N 2.8Å; L111-A114 PolarHBondContact O-N 2.97Å
112	Q	54.3	Low	54.7	Low	170 Å²	170	103.8 Å²	103.8	79%	0.794	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.5	-17.2	174	-75.1	179.2	-8.3	0	0	113.8	L108 Q109	L108-Q112 WeakPolarHBondContact O-CG 3.46Å; L108-Q112 PolarHBondContact O-N 3.05Å; L108-Q112 VanDerWaalsContact O-N 3.09Å; Q109-Q112 PolarHBondContact O-N 3.37Å
113	S	51.1	Low	55.4	Low	108 Å²	108	99.4 Å²	99.4	76%	0.755	56%	0.563	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.4	-10	178.7	-58.8	0	0	0	0	113.3	T110 L111	T110-S113 PolarHBondContact O-N 3.3Å; L111-S113 PolarHBondContact O-N 2.8Å
114	A	41.5	Very low	56.6	Low	65 Å²	65	96.7 Å²	96.7	54%	0.537	55%	0.547	S	S	.	.	S	Bend	trans	-94.6	120.8	177.1	0	0	0	0	0	110.1	T110 L111 Q116	T110-A114 PolarHBondContact O-N 3.22Å; L111-A114 PolarHBondContact O-N 2.97Å; A114-Q116 PolarHBondContact O-N 3.41Å
115	T	38.7	Very low	58	Low	126 Å²	126	92.8 Å²	92.8	77%	0.773	53%	0.529	S	S	*	.			trans	-51.8	130.3	170.2	41.1	0	0	0	0	110.9	T117	T115-T117 PolarHBondContact O-N 3.16Å
116	Q	46.1	Very low	59.4	Low	204 Å²	204	88.8 Å²	88.8	95%	0.953	51%	0.509	S	S	*	.			trans	-41.9	99.1	177.5	-74.8	172.8	-4.9	0	0	112.4	A114	A114-Q116 PolarHBondContact O-N 3.41Å
117	T	34.6	Very low	61	Low	105 Å²	105	84.3 Å²	84.3	64%	0.644	49%	0.49	S	S	*	.			trans	-109.4	143.8	160.5	44.6	0	0	0	0	108.6	T115 S119	T115-T117 PolarHBondContact O-N 3.16Å; T117-S119 PolarHBondContact O-N 3.34Å
118	S	46.4	Very low	62.6	Low	123 Å²	123	80.8 Å²	80.8	86%	0.86	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	21.5	-164.8	74.2	0	0	0	0	117.1
119	S	43.4	Very low	64.4	Low	110 Å²	110	77.9 Å²	77.9	77%	0.769	46%	0.457	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-7.7	-178.3	54.7	0	0	0	0	114.2	T117	T117-S119 PolarHBondContact O-N 3.34Å
120	D	50.4	Low	65.8	Low	89 Å²	89	75.3 Å²	75.3	48%	0.476	46%	0.462	S	S	.	.			trans	-111.9	8.4	-172.8	-156.2	22	0	0	0	114	T122	D120-T122 PolarHBondContact O-N 3.06Å
121	A	63	Low	67.6	Low	76 Å²	76	76.5 Å²	76.5	63%	0.628	46%	0.459	S	S	*	.			trans	-75.8	109.8	175.5	0	0	0	0	0	109.7	Y123	A121-Y123 PolarHBondContact O-N 3.32Å
122	T	72.4	Confident	69.7	Low	24 Å²	24	77.1 Å²	77.1	15%	0.147	47%	0.471	C	S	.	.			trans	-53.3	114.7	166.2	-59.7	0	0	0	0	108.3	D120 D124	D120-T122 PolarHBondContact O-N 3.06Å; T122-D124 PolarHBondContact O-N 3.31Å
123	Y	86.1	Confident	71.4	Confident	59 Å²	59	74.8 Å²	74.8	23%	0.231	46%	0.455	C	S	.	.			trans	-86.9	112.6	-178.3	-150.8	-86.7	0	0	0	109.3	A121 L128 K131 L141 P142	A121-Y123 PolarHBondContact O-N 3.32Å; Y123-L128 HydrophobicContact CE1-CD2 3.7Å; Y123-L128 HydrophobicContact CE1-CG 4.02Å; Y123-K131 PolarHBondContact OH-NZ 2.89Å; Y123-L141 HydrophobicContact CD1-CB 4.4Å; Y123-L141 HydrophobicContact CD1-CD2 3.83Å; Y123-L141 HydrophobicContact CE1-CD2 4.38Å; Y123-L141 WeakPolarHBondContact O-CD1 3.3Å; Y123-P142 HydrophobicContact CD1-CG 3.84Å; Y123-P142 HydrophobicContact CD2-CG 4.12Å; Y123-P142 HydrophobicContact CE1-CG 4.35Å; Y123-P142 HydrophobicContact CG-CG 3.68Å
124	D	93.3	Very high	73.4	Confident	7 Å²	7	73.7 Å²	73.7	4%	0.037	44%	0.437	C	S	.	.	S	Bend	trans	-140.4	-175.3	-176.9	64.1	13.3	0	0	0	111.3	T122 A126 S127 L128 L206 P334	T122-D124 PolarHBondContact O-N 3.31Å; D124-A126 PolarHBondContact O-N 2.82Å; D124-A126 WeakPolarHBondContact OD1-CA 3.49Å; D124-A126 VanDerWaalsContact OD1-CB 3.25Å; D124-A126 WeakPolarHBondContact OD1-CB 3.27Å; D124-A126 PolarHBondContact OD1-N 3.41Å; D124-S127 PolarHBondContact N-OG 3.26Å; D124-S127 PolarHBondContact O-N 3.48Å; D124-S127 PolarHBondContact O-OG 2.82Å; D124-S127 PolarHBondContact OD1-N 3.07Å; D124-L128 PolarHBondContact O-N 2.73Å; D124-L206 HydrophobicContact CB-CD2 3.82Å; D124-P334 VanDerWaalsContact OD2-CD 3.22Å; D124-P334 WeakPolarHBondContact OD2-CD 3.31Å; D124-P334 WeakPolarHBondContact OD2-CG 3.34Å
125	C	96.2	Very high	75.9	Confident	0 Å²	0	76.8 Å²	76.8	0%	0	44%	0.443	C	S	.	.	H	α-helix	trans	-63.3	-25.6	177	-63.3	0	0	0	0	113.7	L128 Y129 C156 M158 W165 T166	C125-L128 PolarHBondContact O-N 2.92Å; C125-Y129 WeakPolarHBondContact O-CB 3.39Å; C125-Y129 PolarHBondContact O-N 2.89Å; C125-C156 HydrophobicContact CB-CB 3.61Å; C125-C156 WeakPolarHBondContact CB-SG 3.48Å; C125-C156 WeakPolarHBondContact SG-CA 3.46Å; C125-C156 WeakPolarHBondContact SG-CB 3.31Å; C125-C156 CovalentContact SG-SG 2.03Å; C125-C156 PolarHBondContact SG-SG 3.35Å; C125-M158 HydrophobicContact CB-CE 4.23Å; C125-W165 WeakPolarHBondContact CB-O 3.06Å; C125-T166 VanDerWaalsContact CB-OG1 3.26Å; C125-T166 WeakPolarHBondContact CB-OG1 3.44Å; C125-T166 PolarHBondContact N-OG1 2.87Å; C125-T166 VanDerWaalsContact N-OG1 3.15Å; C125-T166 PolarHBondContact SG-OG1 3.38Å
126	A	95.9	Very high	78.7	Confident	9 Å²	9	72.3 Å²	72.3	7%	0.074	42%	0.417	C	S	.	.	H	α-helix	trans	-70.4	-40.4	176.6	0	0	0	0	0	111.2	D124 L128 Y129 G130 G164 R333 P334 F337	D124-A126 PolarHBondContact O-N 2.82Å; D124-A126 WeakPolarHBondContact OD1-CA 3.49Å; D124-A126 VanDerWaalsContact OD1-CB 3.25Å; D124-A126 WeakPolarHBondContact OD1-CB 3.27Å; D124-A126 PolarHBondContact OD1-N 3.41Å; A126-L128 VanDerWaalsContact C-N 3.31Å; A126-L128 PolarHBondContact O-N 2.62Å; A126-Y129 WeakPolarHBondContact O-CB 3.26Å; A126-Y129 PolarHBondContact O-N 3.04Å; A126-G130 PolarHBondContact O-N 3.3Å; A126-G164 PolarHBondContact N-O 2.93Å; A126-R333 HydrophobicContact CB-CG 4.06Å; A126-P334 HydrophobicContact CB-CG 4.01Å; A126-F337 HydrophobicContact CB-CD2 3.66Å; A126-F337 HydrophobicContact CB-CE2 3.94Å
127	S	93.1	Very high	81	Confident	31 Å²	31	63.4 Å²	63.4	22%	0.217	38%	0.38	C	S	.	.	H	α-helix	trans	-61.5	-39.3	173.4	79.8	0	0	0	0	112.2	D124 K131	D124-S127 PolarHBondContact N-OG 3.26Å; D124-S127 PolarHBondContact O-N 3.48Å; D124-S127 PolarHBondContact O-OG 2.82Å; D124-S127 PolarHBondContact OD1-N 3.07Å; S127-K131 WeakPolarHBondContact O-CG 3.42Å; S127-K131 PolarHBondContact O-N 2.82Å
128	L	92.9	Very high	83.9	Confident	10 Å²	10	62.8 Å²	62.8	5%	0.052	37%	0.37	C	S	.	.	H	α-helix	trans	-67	-42	173.4	-69.7	173.9	0	0	0	111.1	Y123 D124 C125 A126 G130 K131 S132 Y133 Y139 L141 M158	Y123-L128 HydrophobicContact CE1-CD2 3.7Å; Y123-L128 HydrophobicContact CE1-CG 4.02Å; D124-L128 PolarHBondContact O-N 2.73Å; C125-L128 PolarHBondContact O-N 2.92Å; A126-L128 VanDerWaalsContact C-N 3.31Å; A126-L128 PolarHBondContact O-N 2.62Å; L128-G130 VanDerWaalsContact C-N 3.32Å; L128-G130 PolarHBondContact O-N 2.66Å; L128-K131 CarbonylContact O-C 3.51Å; L128-K131 WeakPolarHBondContact O-CA 3.3Å; L128-K131 WeakPolarHBondContact O-CB 3.4Å; L128-K131 PolarHBondContact O-N 2.78Å; L128-S132 PolarHBondContact O-N 2.95Å; L128-Y133 HydrophobicContact CB-CD2 4.38Å; L128-Y133 HydrophobicContact CD2-CD2 4.13Å; L128-Y133 HydrophobicContact CD2-CE2 4.37Å; L128-Y133 WeakPolarHBondContact O-CB 3.35Å; L128-Y133 WeakPolarHBondContact O-CD2 3.42Å; L128-Y133 PolarHBondContact O-N 2.97Å; L128-Y133 VanDerWaalsContact O-N 3.12Å; L128-Y139 HydrophobicContact CD1-CD1 3.84Å; L128-Y139 HydrophobicContact CD1-CG 3.87Å; L128-L141 HydrophobicContact CD1-CD2 3.93Å; L128-M158 HydrophobicContact CB-CE 3.92Å
129	Y	93.3	Very high	86.3	Confident	30 Å²	30	58.9 Å²	58.9	12%	0.118	34%	0.336	C	S	.	.	H	α-helix	trans	-60.8	-40.6	177.7	-167.5	-95.6	0	0	0	112.5	C125 A126 K131 S132 K134 M158 G162 F337 P339	C125-Y129 WeakPolarHBondContact O-CB 3.39Å; C125-Y129 PolarHBondContact O-N 2.89Å; A126-Y129 WeakPolarHBondContact O-CB 3.26Å; A126-Y129 PolarHBondContact O-N 3.04Å; Y129-K131 PolarHBondContact O-N 3.42Å; Y129-S132 PolarHBondContact O-N 2.79Å; Y129-S132 VanDerWaalsContact O-N 3.1Å; Y129-K134 HydrophobicContact CD1-CD 4.36Å; Y129-K134 HydrophobicContact CD2-CD 3.57Å; Y129-K134 HydrophobicContact CE1-CD 4.12Å; Y129-K134 HydrophobicContact CE2-CD 3.25Å; Y129-K134 HydrophobicContact CG-CD 4.13Å; Y129-K134 WeakPolarHBondContact O-CE 3.32Å; Y129-K134 PolarHBondContact O-NZ 3Å; Y129-M158 HydrophobicContact CD2-CB 4.12Å; Y129-M158 HydrophobicContact CD2-CG 4.42Å; Y129-M158 HydrophobicContact CD2-SD 3.76Å; Y129-M158 HydrophobicContact CE2-CB 4.24Å; Y129-M158 WeakPolarHBondContact CE2-O 3.37Å; Y129-M158 HydrophobicContact CG-SD 4.48Å; Y129-G162 WeakPolarHBondContact CE1-O 3.46Å; Y129-G162 PolarHBondContact OH-O 2.97Å; Y129-F337 AromaticContact CD1-CE2 3.84Å; Y129-F337 HydrophobicContact CD1-CE2 3.84Å; Y129-F337 AromaticContact CD1-CZ 3.44Å; Y129-F337 HydrophobicContact CD1-CZ 3.44Å; Y129-F337 VanDerWaalsContact CD1-CZ 3.44Å; Y129-F337 AromaticContact CE1-CZ 3.8Å; Y129-F337 HydrophobicContact CE1-CZ 3.8Å; Y129-F337 HydrophobicContact CG-CE2 4.43Å; Y129-F337 HydrophobicContact CG-CZ 4.14Å; Y129-P339 WeakPolarHBondContact CE1-OXT 3.24Å
130	G	90.6	Very high	88.6	Confident	63 Å²	63	59.8 Å²	59.8	65%	0.649	33%	0.327	S	S	*	.	H	α-helix	trans	-64.9	-25.8	173.2	0	0	0	0	0	113.5	A126 L128 S132	A126-G130 PolarHBondContact O-N 3.3Å; L128-G130 VanDerWaalsContact C-N 3.32Å; L128-G130 PolarHBondContact O-N 2.66Å; G130-S132 PolarHBondContact O-N 3.2Å
131	K	89.9	Confident	90.6	Very high	116 Å²	116	55.5 Å²	55.5	50%	0.504	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86	17.6	172.1	-67.2	178.4	-177.7	-175.6	0	113.5	Y123 S127 L128 Y129 Y133	Y123-K131 PolarHBondContact OH-NZ 2.89Å; S127-K131 WeakPolarHBondContact O-CG 3.42Å; S127-K131 PolarHBondContact O-N 2.82Å; L128-K131 CarbonylContact O-C 3.51Å; L128-K131 WeakPolarHBondContact O-CA 3.3Å; L128-K131 WeakPolarHBondContact O-CB 3.4Å; L128-K131 PolarHBondContact O-N 2.78Å; Y129-K131 PolarHBondContact O-N 3.42Å; K131-Y133 VanDerWaalsContact C-N 3.3Å; K131-Y133 HydrophobicContact CB-CD2 3.82Å; K131-Y133 HydrophobicContact CB-CE2 3.9Å; K131-Y133 PolarHBondContact O-N 3.19Å
132	S	90.7	Very high	91.9	Very high	95 Å²	95	54.6 Å²	54.6	66%	0.664	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.6	18.8	179	-54	0	0	0	0	115.9	L128 Y129 G130 K134	L128-S132 PolarHBondContact O-N 2.95Å; Y129-S132 PolarHBondContact O-N 2.79Å; Y129-S132 VanDerWaalsContact O-N 3.1Å; G130-S132 PolarHBondContact O-N 3.2Å; S132-K134 PolarHBondContact O-N 3.02Å
133	Y	90.1	Very high	92.6	Very high	120 Å²	120	60.8 Å²	60.8	47%	0.471	32%	0.316	S	S	.	.			trans	-80.1	98.4	165.5	-64.5	-91.8	0	0	0	109.1	L128 K131 Y139 M158	L128-Y133 HydrophobicContact CB-CD2 4.38Å; L128-Y133 HydrophobicContact CD2-CD2 4.13Å; L128-Y133 HydrophobicContact CD2-CE2 4.37Å; L128-Y133 WeakPolarHBondContact O-CB 3.35Å; L128-Y133 WeakPolarHBondContact O-CD2 3.42Å; L128-Y133 PolarHBondContact O-N 2.97Å; L128-Y133 VanDerWaalsContact O-N 3.12Å; K131-Y133 VanDerWaalsContact C-N 3.3Å; K131-Y133 HydrophobicContact CB-CD2 3.82Å; K131-Y133 HydrophobicContact CB-CE2 3.9Å; K131-Y133 PolarHBondContact O-N 3.19Å; Y133-Y139 AromaticContact CD1-CE1 3.88Å; Y133-Y139 HydrophobicContact CD1-CE1 3.88Å; Y133-Y139 HydrophobicContact CG-CE1 4.26Å; Y133-M158 WeakPolarHBondContact O-CE 3.38Å
134	K	91.8	Very high	92.5	Very high	85 Å²	85	58.8 Å²	58.8	37%	0.37	31%	0.31	S	S	.	.			trans	-109	3.4	-171.1	-57.1	-62.5	-170.8	-176.7	0	114.7	Y129 S132 M158	Y129-K134 HydrophobicContact CD1-CD 4.36Å; Y129-K134 HydrophobicContact CD2-CD 3.57Å; Y129-K134 HydrophobicContact CE1-CD 4.12Å; Y129-K134 HydrophobicContact CE2-CD 3.25Å; Y129-K134 HydrophobicContact CG-CD 4.13Å; Y129-K134 WeakPolarHBondContact O-CE 3.32Å; Y129-K134 PolarHBondContact O-NZ 3Å; S132-K134 PolarHBondContact O-N 3.02Å; K134-M158 VanDerWaalsContact C-CB 3.42Å; K134-M158 VanDerWaalsContact O-CB 3.23Å; K134-M158 WeakPolarHBondContact O-CB 3.32Å
135	I	94.9	Very high	91.9	Very high	130 Å²	130	67.4 Å²	67.4	67%	0.667	35%	0.35	S	S	*	.	S	Bend	trans	-96.6	127.3	-177.1	-60.3	175	0	0	0	109.2	Y139 M158	I135-Y139 VanDerWaalsContact O-CE2 3.26Å; I135-Y139 WeakPolarHBondContact O-CE2 3.5Å; I135-Y139 PolarHBondContact O-OH 2.99Å; I135-M158 WeakPolarHBondContact O-CG 3.35Å
136	S	96.8	Very high	91	Very high	32 Å²	32	73.5 Å²	73.5	22%	0.224	38%	0.377	C	S	.	.			trans	-65.1	135.5	173.9	-66.9	0	0	0	0	111.2	C156 M158	S136-C156 CarbonylContact C-O 3.51Å; S136-C156 VanDerWaalsContact CA-O 3.24Å; S136-C156 WeakPolarHBondContact CA-O 3.45Å; S136-M158 PolarHBondContact OG-N 2.81Å
137	G	94.9	Very high	90.3	Very high	17 Å²	17	75.9 Å²	75.9	18%	0.175	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	166.6	-171.2	-176.3	0	0	0	0	0	114.4	Y139 F155 C156	G137-Y139 WeakPolarHBondContact O-CD2 3.31Å; G137-F155 CarbonylContact O-C 3.51Å; G137-F155 WeakPolarHBondContact O-CA 3.37Å; G137-C156 PolarHBondContact N-O 2.9Å; G137-C156 PolarHBondContact O-N 3.31Å
138	E	96.4	Very high	89.7	Confident	92 Å²	92	77.4 Å²	77.4	43%	0.43	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	129	175.7	-174.9	176.4	173.3	0	0	110.4	V154 I192 R193	E138-V154 CarbonylContact C-O 3.38Å; E138-V154 WeakPolarHBondContact CA-O 3.34Å; E138-I192 HydrophobicContact CB-CG2 4.46Å; E138-I192 HydrophobicContact CG-CD1 4.38Å; E138-I192 HydrophobicContact CG-CG2 4.21Å; E138-R193 IonicContact OE2-NE 2.62Å
139	Y	95.1	Very high	89.3	Confident	41 Å²	41	77.7 Å²	77.7	16%	0.161	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	161.5	176.9	-69.9	-94.4	0	0	0	110.3	L128 Y133 I135 G137 S153 V154 C156 M158	L128-Y139 HydrophobicContact CD1-CD1 3.84Å; L128-Y139 HydrophobicContact CD1-CG 3.87Å; Y133-Y139 AromaticContact CD1-CE1 3.88Å; Y133-Y139 HydrophobicContact CD1-CE1 3.88Å; Y133-Y139 HydrophobicContact CG-CE1 4.26Å; I135-Y139 VanDerWaalsContact O-CE2 3.26Å; I135-Y139 WeakPolarHBondContact O-CE2 3.5Å; I135-Y139 PolarHBondContact O-OH 2.99Å; G137-Y139 WeakPolarHBondContact O-CD2 3.31Å; Y139-S153 CarbonylContact O-C 3.44Å; Y139-S153 WeakPolarHBondContact O-CA 3.23Å; Y139-V154 PolarHBondContact N-O 2.88Å; Y139-V154 PolarHBondContact O-N 2.84Å; Y139-C156 HydrophobicContact CD2-CB 3.51Å; Y139-C156 WeakPolarHBondContact CD2-SG 3.3Å; Y139-C156 HydrophobicContact CE2-CB 3.81Å; Y139-C156 HydrophobicContact CG-CB 4.46Å; Y139-M158 HydrophobicContact CD2-CE 4.47Å; Y139-M158 HydrophobicContact CE2-CE 4.08Å
140	K	93.2	Very high	89.1	Confident	129 Å²	129	79.9 Å²	79.9	56%	0.561	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.8	124.3	174.7	-72.4	175.2	160.7	-138.1	0	109.9	E151	K140-E151 HydrophobicContact CB-CG 4.31Å; K140-E151 VanDerWaalsContact CD-OE1 3.3Å; K140-E151 WeakPolarHBondContact CD-OE1 3.4Å; K140-E151 WeakPolarHBondContact CE-OE1 3.46Å; K140-E151 IonicContact NZ-OE1 2.74Å; K140-E151 PolarHBondContact NZ-OE1 3.48Å
141	L	91.7	Very high	89.1	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	136.3	171.6	-51	176.3	0	0	0	108	Y123 L128 E151 L152 V154 L206	Y123-L141 HydrophobicContact CD1-CB 4.4Å; Y123-L141 HydrophobicContact CD1-CD2 3.83Å; Y123-L141 HydrophobicContact CE1-CD2 4.38Å; Y123-L141 WeakPolarHBondContact O-CD1 3.3Å; L128-L141 HydrophobicContact CD1-CD2 3.93Å; L141-E151 WeakPolarHBondContact O-CA 3.5Å; L141-E151 VanDerWaalsContact O-CG 3.24Å; L141-E151 WeakPolarHBondContact O-CG 3.23Å; L141-L152 HydrophobicContact CB-CB 4.4Å; L141-L152 HydrophobicContact CD1-CD2 4.36Å; L141-L152 PolarHBondContact N-O 2.78Å; L141-L152 PolarHBondContact O-N 2.88Å; L141-V154 HydrophobicContact CD1-CB 4.38Å; L141-V154 HydrophobicContact CD1-CG1 3.58Å; L141-V154 HydrophobicContact CD1-CG2 3.86Å; L141-V154 HydrophobicContact CD2-CG2 4.12Å; L141-V154 HydrophobicContact CG-CG1 4.16Å; L141-V154 HydrophobicContact CG-CG2 3.8Å; L141-L206 HydrophobicContact CD1-CD2 4.16Å
142	P	89.9	Confident	89.3	Confident	57 Å²	57	76.5 Å²	76.5	37%	0.37	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-62.6	172.6	-177.5	29.5	-35.2	0	0	0	111.5	Y123 R205	Y123-P142 HydrophobicContact CD1-CG 3.84Å; Y123-P142 HydrophobicContact CD2-CG 4.12Å; Y123-P142 HydrophobicContact CE1-CG 4.35Å; Y123-P142 HydrophobicContact CG-CG 3.68Å; P142-R205 PolarHBondContact O-NH1 2.87Å; P142-R205 PolarHBondContact O-NH2 3.18Å
143	K	87.9	Confident	89.5	Confident	153 Å²	153	73.8 Å²	73.8	67%	0.665	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-61.8	150.1	172.3	-63.6	179.9	-179.3	179.3	0	110.8	A149 E151	K143-A149 WeakPolarHBondContact CA-O 3.32Å; K143-A149 WeakPolarHBondContact CB-O 3.39Å; K143-E151 HydrophobicContact CG-CB 4.46Å
144	D	84.1	Confident	89.9	Confident	17 Å²	17	68.1 Å²	68.1	9%	0.091	36%	0.358	C	S	.	.	B	Isolated β-bridge	trans	-102.1	103.5	169.1	-164.3	-54.4	0	0	0	107.9	F146 L147 G148 A149 R205 R208	D144-F146 VanDerWaalsContact C-N 3.28Å; D144-F146 PolarHBondContact O-N 2.76Å; D144-F146 WeakPolarHBondContact OD1-CB 3.38Å; D144-F146 PolarHBondContact OD1-N 3.2Å; D144-L147 HydrophobicContact CB-CB 4.16Å; D144-L147 PolarHBondContact OD1-N 2.72Å; D144-G148 CarbonylContact O-C 3.46Å; D144-G148 WeakPolarHBondContact O-CA 3.06Å; D144-G148 PolarHBondContact O-N 3.02Å; D144-A149 HydrophobicContact CB-CB 3.96Å; D144-A149 PolarHBondContact N-O 3.04Å; D144-A149 PolarHBondContact O-N 2.9Å; D144-R205 IonicContact OD2-NE 3.47Å; D144-R205 PolarHBondContact OD2-NE 3.42Å; D144-R208 IonicContact OD1-NH1 3.68Å; D144-R208 IonicContact OD2-CZ 3.83Å; D144-R208 IonicContact OD2-NH1 3.51Å; D144-R208 IonicContact OD2-NH2 3.84Å
145	E	80.3	Confident	90.2	Very high	189 Å²	189	66.2 Å²	66.2	88%	0.883	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-33.9	-177.4	-64.6	-171.3	168.4	0	0	111.8	G148	E145-G148 PolarHBondContact O-N 2.96Å
146	F	78.1	Confident	90.3	Very high	128 Å²	128	60 Å²	60	56%	0.561	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-45.1	179.2	178.2	-94.7	0	0	0	111.7	D144 G148	D144-F146 VanDerWaalsContact C-N 3.28Å; D144-F146 PolarHBondContact O-N 2.76Å; D144-F146 WeakPolarHBondContact OD1-CB 3.38Å; D144-F146 PolarHBondContact OD1-N 3.2Å; F146-G148 VanDerWaalsContact C-N 3.32Å
147	L	80.6	Confident	90.3	Very high	58 Å²	58	59 Å²	59	30%	0.304	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-6.9	176.9	-62.5	177	0	0	0	113.6	D144 A149 F204 R205	D144-L147 HydrophobicContact CB-CB 4.16Å; D144-L147 PolarHBondContact OD1-N 2.72Å; L147-A149 HydrophobicContact CB-CB 4.1Å; L147-A149 PolarHBondContact O-N 3.04Å; L147-F204 HydrophobicContact CD2-CE1 4.08Å; L147-R205 HydrophobicContact CD1-CB 3.6Å; L147-R205 HydrophobicContact CD1-CG 3.68Å
148	G	80.8	Confident	90.4	Very high	64 Å²	64	58.4 Å²	58.4	66%	0.66	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	22.9	-167.5	0	0	0	0	0	113.1	D144 E145 F146	D144-G148 CarbonylContact O-C 3.46Å; D144-G148 WeakPolarHBondContact O-CA 3.06Å; D144-G148 PolarHBondContact O-N 3.02Å; E145-G148 PolarHBondContact O-N 2.96Å; F146-G148 VanDerWaalsContact C-N 3.32Å
149	A	84.3	Confident	90.4	Very high	16 Å²	16	60.8 Å²	60.8	13%	0.132	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-83.6	139.1	-175	0	0	0	0	0	110.9	K143 D144 L147	K143-A149 WeakPolarHBondContact CA-O 3.32Å; K143-A149 WeakPolarHBondContact CB-O 3.39Å; D144-A149 HydrophobicContact CB-CB 3.96Å; D144-A149 PolarHBondContact N-O 3.04Å; D144-A149 PolarHBondContact O-N 2.9Å; L147-A149 HydrophobicContact CB-CB 4.1Å; L147-A149 PolarHBondContact O-N 3.04Å
150	P	88.7	Confident	90.4	Very high	75 Å²	75	60.7 Å²	60.7	49%	0.487	32%	0.318	S	S	.	.			trans	-69.8	177.5	-178.9	30.7	-36.3	0	0	0	112.6	L152 R205	P150-L152 PolarHBondContact O-N 3.29Å; P150-R205 PolarHBondContact O-NH1 3.13Å; P150-R205 VanDerWaalsContact O-NH1 3.08Å
151	E	91.6	Very high	90.4	Very high	97 Å²	97	58.9 Å²	58.9	45%	0.453	32%	0.315	S	S	.	.			trans	-57.5	137.7	166.9	-175.8	-179	92.7	0	0	108.7	K140 L141 K143	K140-E151 HydrophobicContact CB-CG 4.31Å; K140-E151 VanDerWaalsContact CD-OE1 3.3Å; K140-E151 WeakPolarHBondContact CD-OE1 3.4Å; K140-E151 WeakPolarHBondContact CE-OE1 3.46Å; K140-E151 IonicContact NZ-OE1 2.74Å; K140-E151 PolarHBondContact NZ-OE1 3.48Å; L141-E151 WeakPolarHBondContact O-CA 3.5Å; L141-E151 VanDerWaalsContact O-CG 3.24Å; L141-E151 WeakPolarHBondContact O-CG 3.23Å; K143-E151 HydrophobicContact CG-CB 4.46Å
152	L	93.4	Very high	90.6	Very high	11 Å²	11	60.1 Å²	60.1	6%	0.058	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	118.3	-174.6	-179.3	62.4	0	0	0	110	L141 P150 V154 L198 H202	L141-L152 HydrophobicContact CB-CB 4.4Å; L141-L152 HydrophobicContact CD1-CD2 4.36Å; L141-L152 PolarHBondContact N-O 2.78Å; L141-L152 PolarHBondContact O-N 2.88Å; P150-L152 PolarHBondContact O-N 3.29Å; L152-V154 HydrophobicContact CD2-CG1 3.86Å; L152-V154 HydrophobicContact CG-CG1 3.75Å; L152-L198 HydrophobicContact CD1-CD1 3.99Å; L152-L198 HydrophobicContact CD2-CD1 4.44Å; L152-L198 HydrophobicContact CD2-CD2 4.39Å; L152-L198 HydrophobicContact CG-CD1 4.44Å; L152-H202 HydrophobicContact CD1-CB 4.27Å; L152-H202 HydrophobicContact CD2-CB 3.84Å
153	S	95.3	Very high	90.9	Very high	39 Å²	39	57.4 Å²	57.4	27%	0.273	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	131.3	166.7	-69.6	0	0	0	0	109.8	Y139 I192	Y139-S153 CarbonylContact O-C 3.44Å; Y139-S153 WeakPolarHBondContact O-CA 3.23Å; S153-I192 VanDerWaalsContact C-CD1 3.49Å; S153-I192 VanDerWaalsContact O-CD1 3.31Å; S153-I192 WeakPolarHBondContact O-CD1 3.45Å
154	V	97.2	Very high	91.3	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	156.8	179.3	-61.5	0	0	0	0	110.8	E138 Y139 L141 L152 T166 L198	E138-V154 CarbonylContact C-O 3.38Å; E138-V154 WeakPolarHBondContact CA-O 3.34Å; Y139-V154 PolarHBondContact N-O 2.88Å; Y139-V154 PolarHBondContact O-N 2.84Å; L141-V154 HydrophobicContact CD1-CB 4.38Å; L141-V154 HydrophobicContact CD1-CG1 3.58Å; L141-V154 HydrophobicContact CD1-CG2 3.86Å; L141-V154 HydrophobicContact CD2-CG2 4.12Å; L141-V154 HydrophobicContact CG-CG1 4.16Å; L141-V154 HydrophobicContact CG-CG2 3.8Å; L152-V154 HydrophobicContact CD2-CG1 3.86Å; L152-V154 HydrophobicContact CG-CG1 3.75Å; V154-T166 HydrophobicContact CB-CG2 3.88Å; V154-T166 HydrophobicContact CG1-CG2 3.86Å; V154-T166 HydrophobicContact CG2-CG2 4.2Å; V154-L198 HydrophobicContact CG1-CD1 4.2Å
155	F	98	Very high	92	Very high	45 Å²	45	49.3 Å²	49.3	20%	0.197	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	121.9	162.4	-165.4	-84.4	0	0	0	108.9	G137 L167 I192	G137-F155 CarbonylContact O-C 3.51Å; G137-F155 WeakPolarHBondContact O-CA 3.37Å; F155-L167 HydrophobicContact CB-CB 4.25Å; F155-L167 HydrophobicContact CB-CD2 4.29Å; F155-L167 HydrophobicContact CD1-CD1 4.02Å; F155-L167 HydrophobicContact CD1-CD2 3.73Å; F155-L167 HydrophobicContact CD1-CG 4.39Å; F155-L167 HydrophobicContact CE1-CD2 4.45Å; F155-L167 HydrophobicContact CG-CD2 4.26Å; F155-L167 PolarHBondContact O-N 2.83Å; F155-I192 HydrophobicContact CB-CG2 3.76Å; F155-I192 HydrophobicContact CD2-CG2 4.17Å; F155-I192 HydrophobicContact CG-CG2 4.49Å
156	C	97.9	Very high	92.9	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	125.1	171.1	-60.6	0	0	0	0	110.2	C125 S136 G137 Y139 M158 W165	C125-C156 HydrophobicContact CB-CB 3.61Å; C125-C156 WeakPolarHBondContact CB-SG 3.48Å; C125-C156 WeakPolarHBondContact SG-CA 3.46Å; C125-C156 WeakPolarHBondContact SG-CB 3.31Å; C125-C156 CovalentContact SG-SG 2.03Å; C125-C156 PolarHBondContact SG-SG 3.35Å; S136-C156 CarbonylContact C-O 3.51Å; S136-C156 VanDerWaalsContact CA-O 3.24Å; S136-C156 WeakPolarHBondContact CA-O 3.45Å; G137-C156 PolarHBondContact N-O 2.9Å; G137-C156 PolarHBondContact O-N 3.31Å; Y139-C156 HydrophobicContact CD2-CB 3.51Å; Y139-C156 WeakPolarHBondContact CD2-SG 3.3Å; Y139-C156 HydrophobicContact CE2-CB 3.81Å; Y139-C156 HydrophobicContact CG-CB 4.46Å; C156-M158 HydrophobicContact CB-CE 3.36Å; C156-M158 HydrophobicContact CB-CG 4.18Å; C156-M158 HydrophobicContact CB-SD 3.8Å; C156-W165 CarbonylContact C-O 3.58Å; C156-W165 VanDerWaalsContact CA-O 3.29Å; C156-W165 WeakPolarHBondContact CA-O 3.42Å
157	D	98	Very high	93.8	Very high	11 Å²	11	34.2 Å²	34.2	6%	0.059	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	106.9	165.9	171.7	1	0	0	0	108.2	E159 T160 G163 G164 W165 L167 K331	D157-E159 PolarHBondContact OD1-N 3.1Å; D157-T160 VanDerWaalsContact CG-OG1 3.31Å; D157-T160 PolarHBondContact OD1-N 2.93Å; D157-T160 PolarHBondContact OD1-OG1 3.47Å; D157-T160 WeakPolarHBondContact OD2-CB 3.49Å; D157-T160 PolarHBondContact OD2-OG1 2.98Å; D157-G163 CarbonylContact O-C 3.58Å; D157-G163 WeakPolarHBondContact O-CA 3.25Å; D157-G164 PolarHBondContact O-N 3.33Å; D157-G164 VanDerWaalsContact O-N 3.14Å; D157-W165 HydrophobicContact CB-CB 4.09Å; D157-W165 PolarHBondContact N-O 3.4Å; D157-W165 PolarHBondContact O-N 2.96Å; D157-L167 HydrophobicContact CB-CD1 3.67Å; D157-K331 IonicContact OD2-NZ 2.85Å; D157-K331 PolarHBondContact OD2-NZ 3.33Å
158	M	97.1	Very high	94.7	Very high	5 Å²	5	31.4 Å²	31.4	3%	0.025	19%	0.19	C	C	.	.			trans	-98.6	6.6	-175.1	-57.9	-53.5	-160.6	0	0	112.6	C125 L128 Y129 Y133 K134 I135 S136 Y139 C156 G163	C125-M158 HydrophobicContact CB-CE 4.23Å; L128-M158 HydrophobicContact CB-CE 3.92Å; Y129-M158 HydrophobicContact CD2-CB 4.12Å; Y129-M158 HydrophobicContact CD2-CG 4.42Å; Y129-M158 HydrophobicContact CD2-SD 3.76Å; Y129-M158 HydrophobicContact CE2-CB 4.24Å; Y129-M158 WeakPolarHBondContact CE2-O 3.37Å; Y129-M158 HydrophobicContact CG-SD 4.48Å; Y133-M158 WeakPolarHBondContact O-CE 3.38Å; K134-M158 VanDerWaalsContact C-CB 3.42Å; K134-M158 VanDerWaalsContact O-CB 3.23Å; K134-M158 WeakPolarHBondContact O-CB 3.32Å; I135-M158 WeakPolarHBondContact O-CG 3.35Å; S136-M158 PolarHBondContact OG-N 2.81Å; Y139-M158 HydrophobicContact CD2-CE 4.47Å; Y139-M158 HydrophobicContact CE2-CE 4.08Å; C156-M158 HydrophobicContact CB-CE 3.36Å; C156-M158 HydrophobicContact CB-CG 4.18Å; C156-M158 HydrophobicContact CB-SD 3.8Å; M158-G163 WeakPolarHBondContact O-CA 3.14Å
159	E	95.4	Very high	95.5	Very high	141 Å²	141	28.4 Å²	28.4	66%	0.659	16%	0.159	S	C	*	.	S	Bend	trans	-119.3	-46.3	-171.5	-68.2	172.1	-171	0	0	111.8	D157 N161	D157-E159 PolarHBondContact OD1-N 3.1Å; E159-N161 PolarHBondContact O-N 2.82Å
160	T	94.7	Very high	96.2	Very high	39 Å²	39	28.6 Å²	28.6	24%	0.239	16%	0.156	C	C	.	.	G	3₁₀ helix	trans	-63.9	128.2	-174.4	-58	0	0	0	0	111.5	D157 G162 G163 W165 E216	D157-T160 VanDerWaalsContact CG-OG1 3.31Å; D157-T160 PolarHBondContact OD1-N 2.93Å; D157-T160 PolarHBondContact OD1-OG1 3.47Å; D157-T160 WeakPolarHBondContact OD2-CB 3.49Å; D157-T160 PolarHBondContact OD2-OG1 2.98Å; T160-G162 VanDerWaalsContact C-N 3.27Å; T160-G162 PolarHBondContact O-N 3.05Å; T160-G163 PolarHBondContact O-N 2.96Å; T160-W165 PolarHBondContact O-NE1 3.35Å; T160-E216 VanDerWaalsContact CG2-OE1 3.29Å; T160-E216 WeakPolarHBondContact CG2-OE1 3.33Å
161	N	93.9	Very high	96.7	Very high	92 Å²	92	25.4 Å²	25.4	49%	0.492	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	47.5	48.6	174.6	-161.7	-71.9	0	0	0	112.7	E159 G163 R333	E159-N161 PolarHBondContact O-N 2.82Å; N161-G163 VanDerWaalsContact C-N 3.34Å; N161-G163 PolarHBondContact O-N 2.99Å; N161-R333 PolarHBondContact O-NH1 2.99Å
162	G	94.7	Very high	96.7	Very high	25 Å²	25	25.6 Å²	25.6	26%	0.258	13%	0.134	S	C	.	.	G	3₁₀ helix	trans	80.2	6.4	179.9	0	0	0	0	0	115.6	Y129 T160	Y129-G162 WeakPolarHBondContact CE1-O 3.46Å; Y129-G162 PolarHBondContact OH-O 2.97Å; T160-G162 VanDerWaalsContact C-N 3.27Å; T160-G162 PolarHBondContact O-N 3.05Å
163	G	96.6	Very high	96.4	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.149	C	C	.	.	S	Bend	trans	73.6	-166.7	168.6	0	0	0	0	0	115.8	D157 M158 T160 N161 W165 R333	D157-G163 CarbonylContact O-C 3.58Å; D157-G163 WeakPolarHBondContact O-CA 3.25Å; M158-G163 WeakPolarHBondContact O-CA 3.14Å; T160-G163 PolarHBondContact O-N 2.96Å; N161-G163 VanDerWaalsContact C-N 3.34Å; N161-G163 PolarHBondContact O-N 2.99Å; G163-W165 VanDerWaalsContact C-N 3.26Å; G163-W165 PolarHBondContact O-N 3.47Å; G163-R333 VanDerWaalsContact O-CD 3.22Å; G163-R333 WeakPolarHBondContact O-CD 3.4Å; G163-R333 PolarHBondContact O-NH1 3.35Å
164	G	97.1	Very high	96.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.153	C	C	.	.			trans	71.3	17.4	-178.9	0	0	0	0	0	114.5	A126 D157 R333	A126-G164 PolarHBondContact N-O 2.93Å; D157-G164 PolarHBondContact O-N 3.33Å; D157-G164 VanDerWaalsContact O-N 3.14Å; G164-R333 WeakPolarHBondContact O-CG 3.43Å
165	W	98.3	Very high	95.8	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	134.3	178.9	-66.3	100.8	0	0	0	111.4	C125 C156 D157 T160 G163 T212 R214 K331 R333	C125-W165 WeakPolarHBondContact CB-O 3.06Å; C156-W165 CarbonylContact C-O 3.58Å; C156-W165 VanDerWaalsContact CA-O 3.29Å; C156-W165 WeakPolarHBondContact CA-O 3.42Å; D157-W165 HydrophobicContact CB-CB 4.09Å; D157-W165 PolarHBondContact N-O 3.4Å; D157-W165 PolarHBondContact O-N 2.96Å; T160-W165 PolarHBondContact O-NE1 3.35Å; G163-W165 VanDerWaalsContact C-N 3.26Å; G163-W165 PolarHBondContact O-N 3.47Å; W165-T212 HydrophobicContact CH2-CG2 3.87Å; W165-T212 HydrophobicContact CZ3-CG2 4.3Å; W165-R214 HydrophobicContact CE3-CB 4.27Å; W165-R214 HydrophobicContact CH2-CB 3.7Å; W165-R214 HydrophobicContact CZ2-CB 4.23Å; W165-R214 HydrophobicContact CZ3-CB 3.72Å; W165-K331 HydrophobicContact CB-CB 4.11Å; W165-K331 HydrophobicContact CB-CD 3.81Å; W165-K331 HydrophobicContact CB-CG 4.07Å; W165-K331 HydrophobicContact CD2-CD 4.29Å; W165-K331 HydrophobicContact CD2-CG 4.07Å; W165-K331 HydrophobicContact CE3-CB 4.31Å; W165-K331 HydrophobicContact CE3-CG 3.87Å; W165-K331 HydrophobicContact CG-CD 3.95Å; W165-K331 HydrophobicContact CG-CG 4.17Å; W165-R333 HydrophobicContact CD2-CB 4.02Å; W165-R333 HydrophobicContact CE3-CB 3.5Å; W165-R333 VanDerWaalsContact CE3-CB 3.5Å; W165-R333 HydrophobicContact CH2-CB 4.29Å; W165-R333 VanDerWaalsContact CZ2-CZ 3.48Å; W165-R333 HydrophobicContact CZ3-CB 3.66Å
166	T	98.5	Very high	95.7	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	117.3	170.8	-48.1	0	0	0	0	109	C125 V154 L206 K331 V332	C125-T166 VanDerWaalsContact CB-OG1 3.26Å; C125-T166 WeakPolarHBondContact CB-OG1 3.44Å; C125-T166 PolarHBondContact N-OG1 2.87Å; C125-T166 VanDerWaalsContact N-OG1 3.15Å; C125-T166 PolarHBondContact SG-OG1 3.38Å; V154-T166 HydrophobicContact CB-CG2 3.88Å; V154-T166 HydrophobicContact CG1-CG2 3.86Å; V154-T166 HydrophobicContact CG2-CG2 4.2Å; T166-L206 HydrophobicContact CG2-CD1 3.75Å; T166-K331 CarbonylContact O-C 3.6Å; T166-K331 VanDerWaalsContact O-CA 3.26Å; T166-K331 WeakPolarHBondContact O-CA 3.48Å; T166-K331 WeakPolarHBondContact O-CB 3.45Å; T166-V332 PolarHBondContact N-O 2.84Å; T166-V332 PolarHBondContact O-N 3.27Å
167	L	98.6	Very high	95.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	131.6	177.9	-83.7	62.2	0	0	0	110.9	F155 D157 F196 K331	F155-L167 HydrophobicContact CB-CB 4.25Å; F155-L167 HydrophobicContact CB-CD2 4.29Å; F155-L167 HydrophobicContact CD1-CD1 4.02Å; F155-L167 HydrophobicContact CD1-CD2 3.73Å; F155-L167 HydrophobicContact CD1-CG 4.39Å; F155-L167 HydrophobicContact CE1-CD2 4.45Å; F155-L167 HydrophobicContact CG-CD2 4.26Å; F155-L167 PolarHBondContact O-N 2.83Å; D157-L167 HydrophobicContact CB-CD1 3.67Å; L167-F196 HydrophobicContact CB-CZ 3.9Å; L167-K331 HydrophobicContact CD1-CB 3.83Å; L167-K331 HydrophobicContact CD1-CD 3.91Å; L167-K331 HydrophobicContact CG-CB 4.05Å
168	I	98.7	Very high	95.6	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	-21.4	-180	61.7	165.6	0	0	0	112.8	L198 I203 L206 L213 F232 M330 V332	I168-L198 HydrophobicContact CB-CB 4.38Å; I168-L198 HydrophobicContact CB-CD2 4.42Å; I168-L198 HydrophobicContact CG2-CD2 3.92Å; I168-L198 VanDerWaalsContact O-CB 3.32Å; I168-L198 WeakPolarHBondContact O-CB 3.48Å; I168-L198 PolarHBondContact O-N 2.72Å; I168-I203 HydrophobicContact CB-CD1 4.09Å; I168-I203 HydrophobicContact CB-CG1 3.89Å; I168-I203 HydrophobicContact CD1-CD1 4.25Å; I168-I203 HydrophobicContact CD1-CG1 4.38Å; I168-I203 HydrophobicContact CD1-CG2 4.28Å; I168-I203 HydrophobicContact CG2-CG1 3.99Å; I168-L206 HydrophobicContact CG2-CD1 4.32Å; I168-L213 HydrophobicContact CD1-CD1 4.16Å; I168-F232 HydrophobicContact CD1-CE1 4.25Å; I168-F232 HydrophobicContact CD1-CZ 4.21Å; I168-M330 HydrophobicContact CD1-CB 4.17Å; I168-M330 HydrophobicContact CG1-CB 3.75Å; I168-M330 VanDerWaalsContact CG1-O 3.3Å; I168-M330 WeakPolarHBondContact CG1-O 3.29Å; I168-M330 PolarHBondContact N-O 3.15Å; I168-V332 HydrophobicContact CD1-CG1 3.87Å; I168-V332 HydrophobicContact CG1-CG1 4.44Å; I168-V332 HydrophobicContact CG2-CG1 4.29Å; I168-V332 HydrophobicContact CG2-CG2 3.79Å
169	Q	98.8	Very high	95.6	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	143.7	176.3	-171	-98.4	44.3	0	0	110.1	F178 F196 W197 L296 N297 E329 M330	Q169-F178 HydrophobicContact CG-CE1 4.19Å; Q169-F196 WeakPolarHBondContact CA-O 3.36Å; Q169-W197 HydrophobicContact CB-CE3 3.67Å; Q169-W197 HydrophobicContact CB-CZ3 3.73Å; Q169-W197 HydrophobicContact CG-CE3 3.51Å; Q169-W197 HydrophobicContact CG-CZ3 3.76Å; Q169-L296 PolarHBondContact NE2-O 2.81Å; Q169-N297 PolarHBondContact NE2-OD1 2.82Å; Q169-E329 WeakPolarHBondContact O-CA 3.43Å; Q169-M330 HydrophobicContact CB-CB 3.9Å; Q169-M330 HydrophobicContact CB-CG 4.03Å; Q169-M330 HydrophobicContact CB-SD 4.02Å; Q169-M330 HydrophobicContact CG-SD 4.37Å; Q169-M330 PolarHBondContact N-O 3.07Å; Q169-M330 PolarHBondContact O-N 3.44Å
170	R	98.4	Very high	95.8	Very high	20 Å²	20	36.2 Å²	36.2	8%	0.075	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	132.2	171	177.5	-179.6	-80.4	160.2	-7.2	111.2	I192 G194 D195 F196 V328 E329	R170-I192 PolarHBondContact NH1-O 2.83Å; R170-G194 WeakPolarHBondContact CD-O 3.28Å; R170-D195 WeakPolarHBondContact O-CA 2.92Å; R170-D195 WeakPolarHBondContact O-CB 3.46Å; R170-F196 HydrophobicContact CB-CD1 3.79Å; R170-F196 HydrophobicContact CB-CE1 3.59Å; R170-F196 HydrophobicContact CB-CZ 4.37Å; R170-F196 PolarHBondContact N-O 3.46Å; R170-F196 PolarHBondContact O-N 2.77Å; R170-F196 VanDerWaalsContact O-N 3.09Å; R170-V328 CarbonylContact C-O 3.58Å; R170-V328 WeakPolarHBondContact CA-O 3.37Å; R170-E329 HydrophobicContact CG-CG 4.21Å; R170-E329 IonicContact CZ-OE1 3.98Å; R170-E329 VanDerWaalsContact CZ-OE1 3.28Å; R170-E329 IonicContact NE-OE1 3.28Å; R170-E329 PolarHBondContact NE-OE1 2.91Å; R170-E329 IonicContact NH2-OE1 2.81Å; R170-E329 PolarHBondContact NH2-OE1 2.79Å
171	R	97.9	Very high	95.9	Very high	8 Å²	8	36.7 Å²	36.7	3%	0.03	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	122.7	167.2	-44.7	-59.3	-60.3	-81.6	6.5	108.7	F178 L296 N297 G298 I313 R327 V328	R171-F178 VanDerWaalsContact CZ-CD2 3.45Å; R171-L296 WeakPolarHBondContact CG-O 3.23Å; R171-L296 PolarHBondContact NH1-O 2.84Å; R171-N297 VanDerWaalsContact NH1-CA 3.31Å; R171-G298 VanDerWaalsContact CZ-O 3.29Å; R171-G298 PolarHBondContact NH1-O 2.92Å; R171-G298 PolarHBondContact NH2-O 3.03Å; R171-I313 HydrophobicContact CB-CD1 3.98Å; R171-I313 HydrophobicContact CG-CD1 4.08Å; R171-R327 CarbonylContact O-C 3.56Å; R171-R327 WeakPolarHBondContact O-CA 3.35Å; R171-V328 HydrophobicContact CB-CB 4.16Å; R171-V328 HydrophobicContact CG-CB 4.11Å; R171-V328 PolarHBondContact N-O 2.85Å; R171-V328 PolarHBondContact O-N 3Å
172	K	92.3	Very high	96.2	Very high	102 Å²	102	33.3 Å²	33.3	44%	0.443	18%	0.182	S	C	.	.	S	Bend	trans	-151.5	-36.1	-178.6	174.9	168.2	174.6	176.4	0	114	D195 R327	K172-D195 PolarHBondContact N-OD1 2.91Å; K172-R327 HydrophobicContact CB-CG 4.49Å; K172-R327 VanDerWaalsContact CE-CZ 3.46Å; K172-R327 HydrophobicContact CG-CG 4.38Å
173	I	88	Confident	96.3	Very high	74 Å²	74	38.9 Å²	38.9	38%	0.379	20%	0.2	S	C	.	.	S	Bend	trans	-109.3	-35.6	-171	-44	-179.5	0	0	0	111.2	L175 D195	I173-L175 HydrophobicContact CB-CG 4.4Å; I173-L175 HydrophobicContact CG2-CD1 3.71Å; I173-L175 HydrophobicContact CG2-CG 3.72Å; I173-D195 PolarHBondContact N-OD1 2.8Å
174	G	87.8	Confident	96.4	Very high	34 Å²	34	42 Å²	42	35%	0.351	21%	0.214	S	C	.	.			trans	81.2	20.4	-179.1	0	0	0	0	0	114.6	D195 L300	G174-D195 VanDerWaalsContact CA-OD2 3.27Å; G174-D195 WeakPolarHBondContact CA-OD2 3.19Å; G174-D195 PolarHBondContact N-OD2 3.06Å; G174-L300 VanDerWaalsContact CA-CD2 3.44Å
175	L	90.3	Very high	96.5	Very high	143 Å²	143	42 Å²	42	75%	0.749	21%	0.214	S	C	*	.			trans	-91.7	-20.2	-177.4	-65.5	179.2	0	0	0	113	I173 D195	I173-L175 HydrophobicContact CB-CG 4.4Å; I173-L175 HydrophobicContact CG2-CD1 3.71Å; I173-L175 HydrophobicContact CG2-CG 3.72Å; L175-D195 PolarHBondContact N-OD2 2.83Å
176	T	95.9	Very high	96.5	Very high	31 Å²	31	44 Å²	44	19%	0.19	22%	0.223	C	C	.	.	S	Bend	trans	-96.7	125.6	176.4	-60.6	0	0	0	0	109.4	F178 F189	T176-F178 HydrophobicContact CG2-CE2 4.26Å; T176-F178 WeakPolarHBondContact O-CD2 3.45Å; T176-F189 HydrophobicContact CG2-CD2 3.89Å; T176-F189 HydrophobicContact CG2-CE2 4.28Å
177	S	96.6	Very high	96.5	Very high	62 Å²	62	47.9 Å²	47.9	43%	0.434	24%	0.244	S	C	.	.			trans	-67.8	132.7	169.8	178.5	0	0	0	0	110.1	N179 R180	S177-N179 PolarHBondContact OG-N 3Å; S177-R180 WeakPolarHBondContact O-CG 3.36Å; S177-R180 PolarHBondContact O-NE 3.39Å; S177-R180 PolarHBondContact O-NH2 2.88Å
178	F	98.3	Very high	96.5	Very high	4 Å²	4	49 Å²	49	2%	0.018	26%	0.255	C	S	.	.			trans	-100.8	-2.8	172.2	-82.6	-115.4	0	0	0	112.2	Q169 R171 T176 R180 Y185 F189 D195 W197 N297	Q169-F178 HydrophobicContact CG-CE1 4.19Å; R171-F178 VanDerWaalsContact CZ-CD2 3.45Å; T176-F178 HydrophobicContact CG2-CE2 4.26Å; T176-F178 WeakPolarHBondContact O-CD2 3.45Å; F178-R180 VanDerWaalsContact C-N 3.25Å; F178-R180 PolarHBondContact O-N 3.1Å; F178-Y185 WeakPolarHBondContact O-CE2 3.24Å; F178-Y185 PolarHBondContact O-OH 2.84Å; F178-F189 HydrophobicContact CB-CE2 4.49Å; F178-F189 HydrophobicContact CB-CZ 4.48Å; F178-F189 AromaticContact CD1-CE2 3.83Å; F178-F189 HydrophobicContact CD1-CE2 3.83Å; F178-F189 AromaticContact CD1-CZ 3.78Å; F178-F189 HydrophobicContact CD1-CZ 3.78Å; F178-F189 AromaticContact CD2-CE2 3.98Å; F178-F189 HydrophobicContact CD2-CE2 3.98Å; F178-F189 AromaticContact CE1-CE2 3.94Å; F178-F189 HydrophobicContact CE1-CE2 3.94Å; F178-F189 HydrophobicContact CE1-CZ 4.12Å; F178-F189 HydrophobicContact CE2-CE2 4.07Å; F178-F189 AromaticContact CG-CE2 3.85Å; F178-F189 HydrophobicContact CG-CE2 3.85Å; F178-F189 HydrophobicContact CG-CZ 4.07Å; F178-F189 HydrophobicContact CZ-CE2 4.06Å; F178-D195 HydrophobicContact CE2-CB 3.9Å; F178-D195 HydrophobicContact CZ-CB 4.37Å; F178-W197 HydrophobicContact CE1-CB 4.21Å; F178-N297 HydrophobicContact CB-CB 4.48Å; F178-N297 WeakPolarHBondContact CB-O 3.41Å; F178-N297 HydrophobicContact CD1-CB 3.95Å
179	N	97.6	Very high	96.5	Very high	54 Å²	54	50.2 Å²	50.2	29%	0.289	26%	0.26	S	S	.	.			trans	-76.1	83.1	167.4	-170.5	24.5	0	0	0	108.9	S177 M267 K283	S177-N179 PolarHBondContact OG-N 3Å; N179-M267 WeakPolarHBondContact O-CE 3.47Å; N179-K283 WeakPolarHBondContact CB-O 3.28Å
180	R	98.3	Very high	96.4	Very high	72 Å²	72	52.5 Å²	52.5	27%	0.272	28%	0.284	S	S	.	.			trans	-125.7	154.9	-171.3	-60.3	-61.6	-175.9	171.2	4.3	110.8	S177 F178 Q184 Y185 F189	S177-R180 WeakPolarHBondContact O-CG 3.36Å; S177-R180 PolarHBondContact O-NE 3.39Å; S177-R180 PolarHBondContact O-NH2 2.88Å; F178-R180 VanDerWaalsContact C-N 3.25Å; F178-R180 PolarHBondContact O-N 3.1Å; R180-Q184 HydrophobicContact CB-CB 3.88Å; R180-Q184 VanDerWaalsContact CD-OE1 3.28Å; R180-Y185 HydrophobicContact CB-CD2 3.85Å; R180-Y185 HydrophobicContact CB-CE2 3.66Å; R180-Y185 WeakPolarHBondContact O-CD2 3.42Å; R180-F189 HydrophobicContact CB-CD1 4.26Å; R180-F189 HydrophobicContact CB-CE1 3.91Å; R180-F189 HydrophobicContact CB-CZ 4.27Å; R180-F189 HydrophobicContact CG-CD1 3.99Å; R180-F189 HydrophobicContact CG-CD2 4.17Å; R180-F189 HydrophobicContact CG-CE1 3.78Å; R180-F189 HydrophobicContact CG-CE2 3.98Å; R180-F189 HydrophobicContact CG-CG 4.18Å; R180-F189 HydrophobicContact CG-CZ 3.78Å
181	D	98.4	Very high	96.2	Very high	50 Å²	50	54.6 Å²	54.6	27%	0.267	30%	0.301	S	S	.	.			trans	-76.8	170.6	-179.6	68.9	35.5	0	0	0	112.3	K183 Q184 Y185 M267 N268	D181-K183 VanDerWaalsContact C-N 3.29Å; D181-K183 PolarHBondContact O-N 3.07Å; D181-K183 WeakPolarHBondContact OD1-CA 3.39Å; D181-K183 WeakPolarHBondContact OD1-CB 3.41Å; D181-K183 PolarHBondContact OD1-N 3.47Å; D181-Q184 VanDerWaalsContact N-OE1 3.17Å; D181-Q184 PolarHBondContact O-N 2.95Å; D181-Q184 WeakPolarHBondContact OD1-CB 3.07Å; D181-Q184 VanDerWaalsContact OD1-CG 3.3Å; D181-Q184 WeakPolarHBondContact OD1-CG 3.39Å; D181-Q184 PolarHBondContact OD1-N 2.6Å; D181-Y185 PolarHBondContact O-N 3.49Å; D181-M267 HydrophobicContact CB-CE 4.38Å; D181-N268 WeakPolarHBondContact CA-OD1 3.46Å; D181-N268 WeakPolarHBondContact CB-OD1 3.47Å
182	W	98.6	Very high	96	Very high	20 Å²	20	55.4 Å²	55.4	8%	0.076	31%	0.306	C	S	.	.	H	α-helix	trans	-53.1	-43.5	177.6	-176	-99.6	0	0	0	113.5	Q184 Y185 K186 E237 Y241 F264 T266 N268 K269	W182-Q184 VanDerWaalsContact C-N 3.33Å; W182-Q184 PolarHBondContact O-N 3.14Å; W182-Y185 PolarHBondContact O-N 3.23Å; W182-K186 VanDerWaalsContact O-CB 3.28Å; W182-K186 WeakPolarHBondContact O-CB 3.41Å; W182-K186 PolarHBondContact O-N 3.38Å; W182-E237 HydrophobicContact CZ2-CG 4.08Å; W182-E237 PolarHBondContact NE1-OE1 2.73Å; W182-Y241 AromaticContact CE2-CE2 3.79Å; W182-Y241 AromaticContact CH2-CD2 3.48Å; W182-Y241 HydrophobicContact CH2-CD2 3.48Å; W182-Y241 VanDerWaalsContact CH2-CD2 3.48Å; W182-Y241 AromaticContact CH2-CE2 3.77Å; W182-Y241 HydrophobicContact CH2-CE2 3.77Å; W182-Y241 AromaticContact CZ2-CD2 3.52Å; W182-Y241 HydrophobicContact CZ2-CD2 3.52Å; W182-Y241 AromaticContact CZ2-CE2 3.3Å; W182-Y241 HydrophobicContact CZ2-CE2 3.3Å; W182-Y241 HydrophobicContact CZ3-CD2 4.28Å; W182-F264 HydrophobicContact CE3-CD1 4.5Å; W182-F264 HydrophobicContact CH2-CB 4.48Å; W182-F264 HydrophobicContact CZ3-CB 4.22Å; W182-F264 HydrophobicContact CZ3-CD1 4.04Å; W182-F264 VanDerWaalsContact CZ3-O 3.31Å; W182-F264 WeakPolarHBondContact CZ3-O 3.29Å; W182-T266 HydrophobicContact CE3-CG2 4.09Å; W182-T266 PolarHBondContact N-OG1 2.76Å; W182-N268 PolarHBondContact N-OD1 2.85Å; W182-K269 HydrophobicContact CB-CB 4.19Å; W182-K269 HydrophobicContact CD2-CB 4.21Å; W182-K269 HydrophobicContact CD2-CD 3.36Å; W182-K269 HydrophobicContact CD2-CG 4.37Å; W182-K269 HydrophobicContact CE3-CB 3.92Å; W182-K269 HydrophobicContact CE3-CD 3.53Å; W182-K269 HydrophobicContact CE3-CG 4.21Å; W182-K269 HydrophobicContact CG-CB 4.35Å; W182-K269 HydrophobicContact CG-CD 3.84Å; W182-K269 HydrophobicContact CH2-CD 3.96Å; W182-K269 HydrophobicContact CZ2-CD 3.83Å; W182-K269 HydrophobicContact CZ3-CD 3.82Å
183	K	98.5	Very high	95.8	Very high	143 Å²	143	60.4 Å²	60.4	62%	0.622	32%	0.322	S	S	*	.	H	α-helix	trans	-66.3	-38.6	-177.1	-179.1	178	179.2	179.2	0	111	D181 N187	D181-K183 VanDerWaalsContact C-N 3.29Å; D181-K183 PolarHBondContact O-N 3.07Å; D181-K183 WeakPolarHBondContact OD1-CA 3.39Å; D181-K183 WeakPolarHBondContact OD1-CB 3.41Å; D181-K183 PolarHBondContact OD1-N 3.47Å; K183-N187 WeakPolarHBondContact O-CB 3.49Å; K183-N187 VanDerWaalsContact O-CG 3.27Å; K183-N187 PolarHBondContact O-N 2.74Å; K183-N187 PolarHBondContact O-ND2 2.94Å
184	Q	98.6	Very high	96.1	Very high	64 Å²	64	57.4 Å²	57.4	30%	0.299	31%	0.31	S	S	.	.	H	α-helix	trans	-68.8	-43.9	175.7	-70.2	175.7	-46	0	0	111.3	R180 D181 W182 K186 N187 G188 F189	R180-Q184 HydrophobicContact CB-CB 3.88Å; R180-Q184 VanDerWaalsContact CD-OE1 3.28Å; D181-Q184 VanDerWaalsContact N-OE1 3.17Å; D181-Q184 PolarHBondContact O-N 2.95Å; D181-Q184 WeakPolarHBondContact OD1-CB 3.07Å; D181-Q184 VanDerWaalsContact OD1-CG 3.3Å; D181-Q184 WeakPolarHBondContact OD1-CG 3.39Å; D181-Q184 PolarHBondContact OD1-N 2.6Å; W182-Q184 VanDerWaalsContact C-N 3.33Å; W182-Q184 PolarHBondContact O-N 3.14Å; Q184-K186 VanDerWaalsContact C-N 3.32Å; Q184-K186 PolarHBondContact O-N 3.1Å; Q184-N187 PolarHBondContact O-N 2.91Å; Q184-G188 CarbonylContact O-C 3.58Å; Q184-G188 WeakPolarHBondContact O-CA 3.47Å; Q184-G188 PolarHBondContact O-N 3.18Å; Q184-F189 HydrophobicContact CB-CD1 4.22Å
185	Y	98.8	Very high	96.5	Very high	0 Å²	0	56 Å²	56	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-65.5	-34.3	174.7	-91.5	-76.8	0	0	0	112.9	F178 R180 D181 W182 F189 W197 G199 N200 F264 T266 G285	F178-Y185 WeakPolarHBondContact O-CE2 3.24Å; F178-Y185 PolarHBondContact O-OH 2.84Å; R180-Y185 HydrophobicContact CB-CD2 3.85Å; R180-Y185 HydrophobicContact CB-CE2 3.66Å; R180-Y185 WeakPolarHBondContact O-CD2 3.42Å; D181-Y185 PolarHBondContact O-N 3.49Å; W182-Y185 PolarHBondContact O-N 3.23Å; Y185-F189 AromaticContact CD1-CE1 3.79Å; Y185-F189 HydrophobicContact CD1-CE1 3.79Å; Y185-F189 HydrophobicContact CD1-CZ 4.33Å; Y185-F189 HydrophobicContact CD2-CE1 4.09Å; Y185-F189 AromaticContact CE1-CE1 3.7Å; Y185-F189 HydrophobicContact CE1-CE1 3.7Å; Y185-F189 AromaticContact CE1-CZ 3.76Å; Y185-F189 HydrophobicContact CE1-CZ 3.76Å; Y185-F189 HydrophobicContact CE2-CE1 4.01Å; Y185-F189 HydrophobicContact CE2-CZ 4.2Å; Y185-F189 AromaticContact CG-CE1 3.98Å; Y185-F189 HydrophobicContact CG-CE1 3.98Å; Y185-F189 AromaticContact CZ-CE1 3.8Å; Y185-F189 AromaticContact CZ-CZ 3.68Å; Y185-W197 AromaticContact CD1-CD1 3.58Å; Y185-W197 HydrophobicContact CD1-CD2 4.16Å; Y185-W197 AromaticContact CD1-CE2 3.93Å; Y185-W197 AromaticContact CD1-CG 3.95Å; Y185-W197 HydrophobicContact CD1-CG 3.95Å; Y185-W197 AromaticContact CD1-NE1 3.57Å; Y185-W197 HydrophobicContact CE1-CD2 4.11Å; Y185-W197 HydrophobicContact CE1-CG 4.03Å; Y185-W197 PolarHBondContact O-NE1 2.87Å; Y185-G199 CarbonylContact O-C 3.57Å; Y185-G199 VanDerWaalsContact O-CA 3.32Å; Y185-G199 WeakPolarHBondContact O-CA 3.44Å; Y185-N200 PolarHBondContact O-N 2.97Å; Y185-N200 PolarHBondContact O-OD1 3.08Å; Y185-F264 AromaticContact CD1-CE1 3.64Å; Y185-F264 HydrophobicContact CD1-CE1 3.64Å; Y185-F264 AromaticContact CD1-CZ 3.42Å; Y185-F264 HydrophobicContact CD1-CZ 3.42Å; Y185-F264 VanDerWaalsContact CD1-CZ 3.42Å; Y185-F264 HydrophobicContact CD2-CE1 4.3Å; Y185-F264 HydrophobicContact CE1-CE1 4.29Å; Y185-F264 AromaticContact CE1-CZ 3.8Å; Y185-F264 HydrophobicContact CE1-CZ 3.8Å; Y185-F264 AromaticContact CG-CE1 3.65Å; Y185-F264 HydrophobicContact CG-CE1 3.65Å; Y185-F264 AromaticContact CG-CZ 3.96Å; Y185-F264 HydrophobicContact CG-CZ 3.96Å; Y185-T266 HydrophobicContact CD2-CG2 3.51Å; Y185-T266 HydrophobicContact CE2-CG2 4.26Å; Y185-T266 HydrophobicContact CG-CG2 3.98Å; Y185-G285 VanDerWaalsContact CE2-CA 3.47Å; Y185-G285 VanDerWaalsContact CE2-N 3.32Å; Y185-G285 VanDerWaalsContact CZ-CA 3.46Å; Y185-G285 PolarHBondContact OH-N 3.14Å
186	K	98.4	Very high	96.9	Very high	42 Å²	42	49.4 Å²	49.4	18%	0.183	26%	0.259	C	S	.	.	H	α-helix	trans	-60.1	-54.2	171.8	169.9	174.8	-179.7	76.8	0	111.9	W182 Q184 G199 N200 D201 E237 Y241	W182-K186 VanDerWaalsContact O-CB 3.28Å; W182-K186 WeakPolarHBondContact O-CB 3.41Å; W182-K186 PolarHBondContact O-N 3.38Å; Q184-K186 VanDerWaalsContact C-N 3.32Å; Q184-K186 PolarHBondContact O-N 3.1Å; K186-G199 CarbonylContact O-C 3.46Å; K186-G199 WeakPolarHBondContact O-CA 3.33Å; K186-N200 PolarHBondContact O-N 2.6Å; K186-D201 WeakPolarHBondContact CE-OD2 3.23Å; K186-D201 WeakPolarHBondContact CG-OD2 3.38Å; K186-D201 IonicContact NZ-OD1 3.98Å; K186-D201 PolarHBondContact NZ-OD1 2.84Å; K186-D201 IonicContact NZ-OD2 2.66Å; K186-D201 PolarHBondContact NZ-OD2 3.06Å; K186-D201 PolarHBondContact O-N 2.81Å; K186-E237 VanDerWaalsContact CE-OE2 3.31Å; K186-E237 WeakPolarHBondContact CE-OE2 3.46Å; K186-E237 IonicContact NZ-OE1 2.66Å; K186-E237 IonicContact NZ-OE2 2.89Å; K186-E237 PolarHBondContact NZ-OE2 3.27Å; K186-Y241 WeakPolarHBondContact CD-OH 3.41Å; K186-Y241 VanDerWaalsContact CG-OH 3.23Å; K186-Y241 WeakPolarHBondContact CG-OH 3.28Å; K186-Y241 PolarHBondContact NZ-OH 3.32Å
187	N	97.6	Very high	97	Very high	83 Å²	83	48 Å²	48	44%	0.444	25%	0.25	S	S	.	.	H	α-helix	trans	-81.8	-23.7	-172.9	-64.6	-25.9	0	0	0	114.1	K183 Q184	K183-N187 WeakPolarHBondContact O-CB 3.49Å; K183-N187 VanDerWaalsContact O-CG 3.27Å; K183-N187 PolarHBondContact O-N 2.74Å; K183-N187 PolarHBondContact O-ND2 2.94Å; Q184-N187 PolarHBondContact O-N 2.91Å
188	G	98.3	Very high	97.1	Very high	22 Å²	22	45.6 Å²	45.6	23%	0.227	23%	0.233	C	C	.	.			trans	93.7	158.7	-170.1	0	0	0	0	0	113.2	Q184 W197 G199	Q184-G188 CarbonylContact O-C 3.58Å; Q184-G188 WeakPolarHBondContact O-CA 3.47Å; Q184-G188 PolarHBondContact O-N 3.18Å; G188-W197 CarbonylContact C-O 3.58Å; G188-W197 WeakPolarHBondContact CA-O 3.31Å; G188-G199 VanDerWaalsContact CA-CA 3.48Å
189	F	98.4	Very high	97.1	Very high	27 Å²	27	45.4 Å²	45.4	12%	0.118	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	165.4	-179.6	58.6	-96.4	0	0	0	111.9	T176 F178 R180 Q184 Y185 F196 W197	T176-F189 HydrophobicContact CG2-CD2 3.89Å; T176-F189 HydrophobicContact CG2-CE2 4.28Å; F178-F189 HydrophobicContact CB-CE2 4.49Å; F178-F189 HydrophobicContact CB-CZ 4.48Å; F178-F189 AromaticContact CD1-CE2 3.83Å; F178-F189 HydrophobicContact CD1-CE2 3.83Å; F178-F189 AromaticContact CD1-CZ 3.78Å; F178-F189 HydrophobicContact CD1-CZ 3.78Å; F178-F189 AromaticContact CD2-CE2 3.98Å; F178-F189 HydrophobicContact CD2-CE2 3.98Å; F178-F189 AromaticContact CE1-CE2 3.94Å; F178-F189 HydrophobicContact CE1-CE2 3.94Å; F178-F189 HydrophobicContact CE1-CZ 4.12Å; F178-F189 HydrophobicContact CE2-CE2 4.07Å; F178-F189 AromaticContact CG-CE2 3.85Å; F178-F189 HydrophobicContact CG-CE2 3.85Å; F178-F189 HydrophobicContact CG-CZ 4.07Å; F178-F189 HydrophobicContact CZ-CE2 4.06Å; R180-F189 HydrophobicContact CB-CD1 4.26Å; R180-F189 HydrophobicContact CB-CE1 3.91Å; R180-F189 HydrophobicContact CB-CZ 4.27Å; R180-F189 HydrophobicContact CG-CD1 3.99Å; R180-F189 HydrophobicContact CG-CD2 4.17Å; R180-F189 HydrophobicContact CG-CE1 3.78Å; R180-F189 HydrophobicContact CG-CE2 3.98Å; R180-F189 HydrophobicContact CG-CG 4.18Å; R180-F189 HydrophobicContact CG-CZ 3.78Å; Q184-F189 HydrophobicContact CB-CD1 4.22Å; Y185-F189 AromaticContact CD1-CE1 3.79Å; Y185-F189 HydrophobicContact CD1-CE1 3.79Å; Y185-F189 HydrophobicContact CD1-CZ 4.33Å; Y185-F189 HydrophobicContact CD2-CE1 4.09Å; Y185-F189 AromaticContact CE1-CE1 3.7Å; Y185-F189 HydrophobicContact CE1-CE1 3.7Å; Y185-F189 AromaticContact CE1-CZ 3.76Å; Y185-F189 HydrophobicContact CE1-CZ 3.76Å; Y185-F189 HydrophobicContact CE2-CE1 4.01Å; Y185-F189 HydrophobicContact CE2-CZ 4.2Å; Y185-F189 AromaticContact CG-CE1 3.98Å; Y185-F189 HydrophobicContact CG-CE1 3.98Å; Y185-F189 AromaticContact CZ-CE1 3.8Å; Y185-F189 AromaticContact CZ-CZ 3.68Å; F189-F196 VanDerWaalsContact O-CA 3.28Å; F189-F196 WeakPolarHBondContact O-CA 3.39Å; F189-F196 WeakPolarHBondContact O-CB 3.28Å; F189-W197 HydrophobicContact CD1-CB 4.12Å; F189-W197 HydrophobicContact CD2-CB 4.4Å; F189-W197 HydrophobicContact CE1-CB 3.65Å; F189-W197 HydrophobicContact CE1-CG 4.12Å; F189-W197 HydrophobicContact CE2-CB 3.95Å; F189-W197 HydrophobicContact CG-CB 4.48Å; F189-W197 HydrophobicContact CZ-CB 3.54Å; F189-W197 HydrophobicContact CZ-CG 4.3Å; F189-W197 PolarHBondContact N-O 2.98Å; F189-W197 PolarHBondContact O-N 2.97Å
190	G	97.1	Very high	97.2	Very high	48 Å²	48	42.9 Å²	42.9	50%	0.495	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	92.6	-155.6	-179.6	0	0	0	0	0	112.3	D195	G190-D195 WeakPolarHBondContact CA-O 3.34Å
191	S	95	Very high	97.1	Very high	63 Å²	63	41.8 Å²	41.8	44%	0.441	22%	0.218	S	C	.	.			trans	-133.4	133.7	-179.7	-179.9	0	0	0	0	110.7	R193 G194 D195 F196	S191-R193 PolarHBondContact O-N 3.44Å; S191-R193 PolarHBondContact OG-N 3.45Å; S191-G194 CarbonylContact O-C 3.56Å; S191-G194 VanDerWaalsContact O-C 3.29Å; S191-G194 WeakPolarHBondContact O-CA 3.34Å; S191-G194 PolarHBondContact O-N 2.87Å; S191-D195 PolarHBondContact N-O 3.07Å; S191-F196 WeakPolarHBondContact O-CD1 3.49Å
192	I	92.4	Very high	97.1	Very high	26 Å²	26	40.7 Å²	40.7	13%	0.133	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54	-29.7	176.9	-65	176	0	0	0	111.9	E138 S153 F155 R170	E138-I192 HydrophobicContact CB-CG2 4.46Å; E138-I192 HydrophobicContact CG-CD1 4.38Å; E138-I192 HydrophobicContact CG-CG2 4.21Å; S153-I192 VanDerWaalsContact C-CD1 3.49Å; S153-I192 VanDerWaalsContact O-CD1 3.31Å; S153-I192 WeakPolarHBondContact O-CD1 3.45Å; F155-I192 HydrophobicContact CB-CG2 3.76Å; F155-I192 HydrophobicContact CD2-CG2 4.17Å; F155-I192 HydrophobicContact CG-CG2 4.49Å; R170-I192 PolarHBondContact NH1-O 2.83Å
193	R	88.8	Confident	97	Very high	207 Å²	207	39.8 Å²	39.8	78%	0.781	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-84.5	-12.2	177.2	-61.6	-176.8	-175.7	175.4	-0.7	114.2	E138 S191	E138-R193 IonicContact OE2-NE 2.62Å; S191-R193 PolarHBondContact O-N 3.44Å; S191-R193 PolarHBondContact OG-N 3.45Å
194	G	93.5	Very high	96.9	Very high	11 Å²	11	34.6 Å²	34.6	11%	0.113	19%	0.185	C	C	.	.	S	Bend	trans	-125.4	-137	-177.5	0	0	0	0	0	111.5	R170 S191	R170-G194 WeakPolarHBondContact CD-O 3.28Å; S191-G194 CarbonylContact O-C 3.56Å; S191-G194 VanDerWaalsContact O-C 3.29Å; S191-G194 WeakPolarHBondContact O-CA 3.34Å; S191-G194 PolarHBondContact O-N 2.87Å
195	D	97.4	Very high	96.7	Very high	3 Å²	3	31.8 Å²	31.8	2%	0.016	17%	0.172	C	C	.	.	S	Bend	trans	-86.3	136.7	171.9	-48.2	-42.4	0	0	0	109.6	R170 K172 I173 G174 L175 F178 G190 S191	R170-D195 WeakPolarHBondContact O-CA 2.92Å; R170-D195 WeakPolarHBondContact O-CB 3.46Å; K172-D195 PolarHBondContact N-OD1 2.91Å; I173-D195 PolarHBondContact N-OD1 2.8Å; G174-D195 VanDerWaalsContact CA-OD2 3.27Å; G174-D195 WeakPolarHBondContact CA-OD2 3.19Å; G174-D195 PolarHBondContact N-OD2 3.06Å; L175-D195 PolarHBondContact N-OD2 2.83Å; F178-D195 HydrophobicContact CE2-CB 3.9Å; F178-D195 HydrophobicContact CZ-CB 4.37Å; G190-D195 WeakPolarHBondContact CA-O 3.34Å; S191-D195 PolarHBondContact N-O 3.07Å
196	F	98.4	Very high	96.5	Very high	5 Å²	5	32 Å²	32	2%	0.022	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.5	160.3	178.4	72	-87.1	0	0	0	113.3	L167 Q169 R170 F189 S191 L198	L167-F196 HydrophobicContact CB-CZ 3.9Å; Q169-F196 WeakPolarHBondContact CA-O 3.36Å; R170-F196 HydrophobicContact CB-CD1 3.79Å; R170-F196 HydrophobicContact CB-CE1 3.59Å; R170-F196 HydrophobicContact CB-CZ 4.37Å; R170-F196 PolarHBondContact N-O 3.46Å; R170-F196 PolarHBondContact O-N 2.77Å; R170-F196 VanDerWaalsContact O-N 3.09Å; F189-F196 VanDerWaalsContact O-CA 3.28Å; F189-F196 WeakPolarHBondContact O-CA 3.39Å; F189-F196 WeakPolarHBondContact O-CB 3.28Å; S191-F196 WeakPolarHBondContact O-CD1 3.49Å; F196-L198 HydrophobicContact CE2-CB 4.35Å
197	W	98.8	Very high	96.3	Very high	2 Å²	2	30 Å²	30	1%	0.008	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.6	161.8	-178.9	-104.3	0	0	0	107.6	Q169 F178 Y185 G188 F189 G199 N200 I203 F264 W287 M330	Q169-W197 HydrophobicContact CB-CE3 3.67Å; Q169-W197 HydrophobicContact CB-CZ3 3.73Å; Q169-W197 HydrophobicContact CG-CE3 3.51Å; Q169-W197 HydrophobicContact CG-CZ3 3.76Å; F178-W197 HydrophobicContact CE1-CB 4.21Å; Y185-W197 AromaticContact CD1-CD1 3.58Å; Y185-W197 HydrophobicContact CD1-CD2 4.16Å; Y185-W197 AromaticContact CD1-CE2 3.93Å; Y185-W197 AromaticContact CD1-CG 3.95Å; Y185-W197 HydrophobicContact CD1-CG 3.95Å; Y185-W197 AromaticContact CD1-NE1 3.57Å; Y185-W197 HydrophobicContact CE1-CD2 4.11Å; Y185-W197 HydrophobicContact CE1-CG 4.03Å; Y185-W197 PolarHBondContact O-NE1 2.87Å; G188-W197 CarbonylContact C-O 3.58Å; G188-W197 WeakPolarHBondContact CA-O 3.31Å; F189-W197 HydrophobicContact CD1-CB 4.12Å; F189-W197 HydrophobicContact CD2-CB 4.4Å; F189-W197 HydrophobicContact CE1-CB 3.65Å; F189-W197 HydrophobicContact CE1-CG 4.12Å; F189-W197 HydrophobicContact CE2-CB 3.95Å; F189-W197 HydrophobicContact CG-CB 4.48Å; F189-W197 HydrophobicContact CZ-CB 3.54Å; F189-W197 HydrophobicContact CZ-CG 4.3Å; F189-W197 PolarHBondContact N-O 2.98Å; F189-W197 PolarHBondContact O-N 2.97Å; W197-G199 VanDerWaalsContact CD1-N 3.32Å; W197-G199 PolarHBondContact O-N 3.09Å; W197-N200 VanDerWaalsContact CE2-OD1 3.29Å; W197-N200 VanDerWaalsContact CZ2-OD1 3.24Å; W197-N200 WeakPolarHBondContact CZ2-OD1 3.43Å; W197-N200 PolarHBondContact NE1-OD1 2.86Å; W197-I203 HydrophobicContact CD2-CD1 4.39Å; W197-I203 HydrophobicContact CH2-CD1 3.81Å; W197-I203 HydrophobicContact CZ2-CD1 3.31Å; W197-F264 HydrophobicContact CH2-CE2 4.41Å; W197-F264 HydrophobicContact CZ2-CE2 4.06Å; W197-F264 HydrophobicContact CZ2-CZ 4.24Å; W197-W287 AromaticContact CH2-CH2 3.8Å; W197-W287 HydrophobicContact CH2-CH2 3.8Å; W197-W287 HydrophobicContact CH2-CZ3 4.13Å; W197-W287 HydrophobicContact CZ2-CH2 4.31Å; W197-M330 HydrophobicContact CZ3-SD 4.37Å
198	L	98.5	Very high	95.9	Very high	12 Å²	12	29 Å²	29	6%	0.063	15%	0.154	C	C	.	.			trans	-64.3	-32.1	-172.9	-174.9	66.4	0	0	0	112.4	L152 V154 I168 F196 H202 I203 L206	L152-L198 HydrophobicContact CD1-CD1 3.99Å; L152-L198 HydrophobicContact CD2-CD1 4.44Å; L152-L198 HydrophobicContact CD2-CD2 4.39Å; L152-L198 HydrophobicContact CG-CD1 4.44Å; V154-L198 HydrophobicContact CG1-CD1 4.2Å; I168-L198 HydrophobicContact CB-CB 4.38Å; I168-L198 HydrophobicContact CB-CD2 4.42Å; I168-L198 HydrophobicContact CG2-CD2 3.92Å; I168-L198 VanDerWaalsContact O-CB 3.32Å; I168-L198 WeakPolarHBondContact O-CB 3.48Å; I168-L198 PolarHBondContact O-N 2.72Å; F196-L198 HydrophobicContact CE2-CB 4.35Å; L198-H202 HydrophobicContact CD2-CB 4.11Å; L198-H202 HydrophobicContact CG-CB 3.87Å; L198-H202 PolarHBondContact O-CD2 3.31Å; L198-H202 VanDerWaalsContact O-CD2 3.26Å; L198-I203 HydrophobicContact CB-CG1 4.45Å; L198-L206 HydrophobicContact CD2-CD1 3.6Å
199	G	98.5	Very high	95.4	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	17%	0.167	C	C	.	.			trans	115.6	133.8	-176.1	0	0	0	0	0	111.6	Y185 K186 G188 W197 D201 H202 I203	Y185-G199 CarbonylContact O-C 3.57Å; Y185-G199 VanDerWaalsContact O-CA 3.32Å; Y185-G199 WeakPolarHBondContact O-CA 3.44Å; K186-G199 CarbonylContact O-C 3.46Å; K186-G199 WeakPolarHBondContact O-CA 3.33Å; G188-G199 VanDerWaalsContact CA-CA 3.48Å; W197-G199 VanDerWaalsContact CD1-N 3.32Å; W197-G199 PolarHBondContact O-N 3.09Å; G199-D201 VanDerWaalsContact C-N 3.31Å; G199-D201 PolarHBondContact O-N 2.81Å; G199-H202 WeakPolarHBondContact O-CB 3.33Å; G199-H202 PolarHBondContact O-N 2.72Å; G199-H202 VanDerWaalsContact O-N 3.07Å; G199-I203 WeakPolarHBondContact O-CG1 3.15Å; G199-I203 PolarHBondContact O-N 3.23Å
200	N	98.7	Very high	94.9	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-63.8	-35.8	-175.1	-63.5	-9.3	0	0	0	112.1	Y185 K186 W197 H202 I203 F204 Y241 F264	Y185-N200 PolarHBondContact O-N 2.97Å; Y185-N200 PolarHBondContact O-OD1 3.08Å; K186-N200 PolarHBondContact O-N 2.6Å; W197-N200 VanDerWaalsContact CE2-OD1 3.29Å; W197-N200 VanDerWaalsContact CZ2-OD1 3.24Å; W197-N200 WeakPolarHBondContact CZ2-OD1 3.43Å; W197-N200 PolarHBondContact NE1-OD1 2.86Å; N200-H202 VanDerWaalsContact C-N 3.29Å; N200-H202 PolarHBondContact O-N 3.47Å; N200-I203 PolarHBondContact O-N 2.91Å; N200-F204 WeakPolarHBondContact O-CB 3.33Å; N200-F204 PolarHBondContact O-N 2.9Å; N200-Y241 HydrophobicContact CB-CD1 3.49Å; N200-Y241 VanDerWaalsContact CB-CD1 3.49Å; N200-Y241 HydrophobicContact CB-CD2 3.66Å; N200-Y241 HydrophobicContact CB-CE1 3.52Å; N200-Y241 HydrophobicContact CB-CE2 3.68Å; N200-Y241 HydrophobicContact CB-CG 3.56Å; N200-Y241 VanDerWaalsContact ND2-CD2 3.28Å; N200-Y241 WeakPolarHBondContact ND2-CD2 3.31Å; N200-F264 WeakPolarHBondContact ND2-CD1 3.31Å
201	D	97.1	Very high	94.8	Very high	49 Å²	49	32.4 Å²	32.4	26%	0.262	16%	0.157	S	C	.	.	H	α-helix	trans	-62.2	-39.3	173.9	-79.9	-10.5	0	0	0	111.4	K186 G199 R205 Y241	K186-D201 WeakPolarHBondContact CE-OD2 3.23Å; K186-D201 WeakPolarHBondContact CG-OD2 3.38Å; K186-D201 IonicContact NZ-OD1 3.98Å; K186-D201 PolarHBondContact NZ-OD1 2.84Å; K186-D201 IonicContact NZ-OD2 2.66Å; K186-D201 PolarHBondContact NZ-OD2 3.06Å; K186-D201 PolarHBondContact O-N 2.81Å; G199-D201 VanDerWaalsContact C-N 3.31Å; G199-D201 PolarHBondContact O-N 2.81Å; D201-R205 WeakPolarHBondContact O-CB 3.24Å; D201-R205 PolarHBondContact O-N 3.26Å; D201-Y241 WeakPolarHBondContact OD1-CE1 3.36Å; D201-Y241 PolarHBondContact OD1-OH 3.46Å
202	H	97.1	Very high	95	Very high	28 Å²	28	30.2 Å²	30.2	13%	0.13	14%	0.141	C	C	.	.	H	α-helix	trans	-73.5	-35.8	179.4	-63.9	-47.1	0	0	0	112.1	L152 L198 G199 N200 R205 L206	L152-H202 HydrophobicContact CD1-CB 4.27Å; L152-H202 HydrophobicContact CD2-CB 3.84Å; L198-H202 HydrophobicContact CD2-CB 4.11Å; L198-H202 HydrophobicContact CG-CB 3.87Å; L198-H202 PolarHBondContact O-CD2 3.31Å; L198-H202 VanDerWaalsContact O-CD2 3.26Å; G199-H202 WeakPolarHBondContact O-CB 3.33Å; G199-H202 PolarHBondContact O-N 2.72Å; G199-H202 VanDerWaalsContact O-N 3.07Å; N200-H202 VanDerWaalsContact C-N 3.29Å; N200-H202 PolarHBondContact O-N 3.47Å; H202-R205 WeakPolarHBondContact O-CB 3.15Å; H202-R205 PolarHBondContact O-N 2.76Å; H202-L206 VanDerWaalsContact O-CG 3.29Å; H202-L206 WeakPolarHBondContact O-CG 3.38Å; H202-L206 PolarHBondContact O-N 3.42Å
203	I	98.1	Very high	95.3	Very high	0 Å²	0	29 Å²	29	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.1	-43.3	173.7	-63.2	165.5	0	0	0	110.4	I168 W197 L198 G199 N200 R205 L206 T207 F232 V234	I168-I203 HydrophobicContact CB-CD1 4.09Å; I168-I203 HydrophobicContact CB-CG1 3.89Å; I168-I203 HydrophobicContact CD1-CD1 4.25Å; I168-I203 HydrophobicContact CD1-CG1 4.38Å; I168-I203 HydrophobicContact CD1-CG2 4.28Å; I168-I203 HydrophobicContact CG2-CG1 3.99Å; W197-I203 HydrophobicContact CD2-CD1 4.39Å; W197-I203 HydrophobicContact CH2-CD1 3.81Å; W197-I203 HydrophobicContact CZ2-CD1 3.31Å; L198-I203 HydrophobicContact CB-CG1 4.45Å; G199-I203 WeakPolarHBondContact O-CG1 3.15Å; G199-I203 PolarHBondContact O-N 3.23Å; N200-I203 PolarHBondContact O-N 2.91Å; I203-R205 VanDerWaalsContact C-N 3.35Å; I203-R205 PolarHBondContact O-N 3.24Å; I203-L206 PolarHBondContact O-N 3.07Å; I203-T207 HydrophobicContact CG2-CG2 4.46Å; I203-T207 WeakPolarHBondContact O-CB 3.24Å; I203-T207 WeakPolarHBondContact O-CG2 3.37Å; I203-T207 PolarHBondContact O-N 2.96Å; I203-T207 PolarHBondContact O-OG1 3.32Å; I203-F232 HydrophobicContact CG2-CE1 4.13Å; I203-F232 HydrophobicContact CG2-CZ 4.26Å; I203-V234 HydrophobicContact CG2-CB 4.14Å; I203-V234 HydrophobicContact CG2-CG2 3.68Å
204	F	96	Very high	95.8	Very high	35 Å²	35	20 Å²	20	15%	0.154	10%	0.101	C	C	.	.	H	α-helix	trans	-55.3	-50.4	172	167.9	-115.5	0	0	0	110.8	L147 N200 L206 T207 R208 V234 N236	L147-F204 HydrophobicContact CD2-CE1 4.08Å; N200-F204 WeakPolarHBondContact O-CB 3.33Å; N200-F204 PolarHBondContact O-N 2.9Å; F204-L206 VanDerWaalsContact C-N 3.29Å; F204-L206 PolarHBondContact O-N 2.85Å; F204-T207 CarbonylContact O-C 3.56Å; F204-T207 PolarHBondContact O-N 2.91Å; F204-R208 HydrophobicContact CE2-CG 4.31Å; F204-R208 HydrophobicContact CZ-CG 4.29Å; F204-R208 WeakPolarHBondContact O-CG 3.27Å; F204-R208 PolarHBondContact O-N 2.79Å; F204-R208 VanDerWaalsContact O-N 3.07Å; F204-V234 VanDerWaalsContact CD2-O 3.27Å; F204-V234 WeakPolarHBondContact CD2-O 3.44Å; F204-N236 HydrophobicContact CD1-CB 4.2Å; F204-N236 HydrophobicContact CD2-CB 4.26Å; F204-N236 HydrophobicContact CE1-CB 3.9Å; F204-N236 HydrophobicContact CE2-CB 3.96Å; F204-N236 HydrophobicContact CG-CB 4.37Å; F204-N236 HydrophobicContact CZ-CB 3.77Å
205	R	93.8	Very high	96	Very high	4 Å²	4	19.5 Å²	19.5	2%	0.015	10%	0.096	C	C	.	.	H	α-helix	trans	-51.6	-45.8	175.8	170.9	178.6	177.9	-171.4	-1.8	112.7	P142 D144 L147 P150 D201 H202 I203 T207	P142-R205 PolarHBondContact O-NH1 2.87Å; P142-R205 PolarHBondContact O-NH2 3.18Å; D144-R205 IonicContact OD2-NE 3.47Å; D144-R205 PolarHBondContact OD2-NE 3.42Å; L147-R205 HydrophobicContact CD1-CB 3.6Å; L147-R205 HydrophobicContact CD1-CG 3.68Å; P150-R205 PolarHBondContact O-NH1 3.13Å; P150-R205 VanDerWaalsContact O-NH1 3.08Å; D201-R205 WeakPolarHBondContact O-CB 3.24Å; D201-R205 PolarHBondContact O-N 3.26Å; H202-R205 WeakPolarHBondContact O-CB 3.15Å; H202-R205 PolarHBondContact O-N 2.76Å; I203-R205 VanDerWaalsContact C-N 3.35Å; I203-R205 PolarHBondContact O-N 3.24Å; R205-T207 VanDerWaalsContact C-N 3.28Å; R205-T207 PolarHBondContact O-N 2.91Å
206	L	94.8	Very high	96.1	Very high	4 Å²	4	21.6 Å²	21.6	2%	0.021	11%	0.106	C	C	.	.	H	α-helix	trans	-75.6	-14.4	-178.5	-67.9	169.9	0	0	0	113.7	D124 L141 T166 I168 L198 H202 I203 F204 S211 V332	D124-L206 HydrophobicContact CB-CD2 3.82Å; L141-L206 HydrophobicContact CD1-CD2 4.16Å; T166-L206 HydrophobicContact CG2-CD1 3.75Å; I168-L206 HydrophobicContact CG2-CD1 4.32Å; L198-L206 HydrophobicContact CD2-CD1 3.6Å; H202-L206 VanDerWaalsContact O-CG 3.29Å; H202-L206 WeakPolarHBondContact O-CG 3.38Å; H202-L206 PolarHBondContact O-N 3.42Å; I203-L206 PolarHBondContact O-N 3.07Å; F204-L206 VanDerWaalsContact C-N 3.29Å; F204-L206 PolarHBondContact O-N 2.85Å; L206-S211 PolarHBondContact O-OG 2.88Å; L206-V332 HydrophobicContact CB-CG2 4.3Å; L206-V332 HydrophobicContact CD1-CG2 4.44Å
207	T	94.7	Very high	96.1	Very high	2 Å²	2	21.5 Å²	21.5	1%	0.012	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	-124.6	19.7	-172.3	62.8	0	0	0	0	113.8	I203 F204 R205 Q209 F232 V234 V332	I203-T207 HydrophobicContact CG2-CG2 4.46Å; I203-T207 WeakPolarHBondContact O-CB 3.24Å; I203-T207 WeakPolarHBondContact O-CG2 3.37Å; I203-T207 PolarHBondContact O-N 2.96Å; I203-T207 PolarHBondContact O-OG1 3.32Å; F204-T207 CarbonylContact O-C 3.56Å; F204-T207 PolarHBondContact O-N 2.91Å; R205-T207 VanDerWaalsContact C-N 3.28Å; R205-T207 PolarHBondContact O-N 2.91Å; T207-Q209 CarbonylContact C-O 3.6Å; T207-Q209 PolarHBondContact O-N 3.09Å; T207-F232 HydrophobicContact CG2-CD1 3.69Å; T207-F232 HydrophobicContact CG2-CE1 3.68Å; T207-V234 PolarHBondContact OG1-N 3.49Å; T207-V332 HydrophobicContact CG2-CG1 4.36Å
208	R	89.8	Confident	96.1	Very high	60 Å²	60	23.1 Å²	23.1	23%	0.226	11%	0.113	C	C	.	.	S	Bend	trans	-60.5	-31.6	169.3	-62.3	-172.6	-54.4	-170.6	9.4	112.4	D144 F204	D144-R208 IonicContact OD1-NH1 3.68Å; D144-R208 IonicContact OD2-CZ 3.83Å; D144-R208 IonicContact OD2-NH1 3.51Å; D144-R208 IonicContact OD2-NH2 3.84Å; F204-R208 HydrophobicContact CE2-CG 4.31Å; F204-R208 HydrophobicContact CZ-CG 4.29Å; F204-R208 WeakPolarHBondContact O-CG 3.27Å; F204-R208 PolarHBondContact O-N 2.79Å; F204-R208 VanDerWaalsContact O-N 3.07Å
209	Q	85.8	Confident	96.1	Very high	105 Å²	105	22.8 Å²	22.8	49%	0.491	11%	0.111	S	C	.	.	S	Bend	trans	-99.4	151.9	170	-63.7	-63	-20.3	0	0	109	T207 S211	T207-Q209 CarbonylContact C-O 3.6Å; T207-Q209 PolarHBondContact O-N 3.09Å; Q209-S211 PolarHBondContact O-N 3.09Å; Q209-S211 VanDerWaalsContact O-N 3.09Å; Q209-S211 PolarHBondContact O-OG 2.89Å
210	P	89	Confident	96	Very high	61 Å²	61	25.5 Å²	25.5	40%	0.396	12%	0.122	S	C	.	.			trans	-51.8	119.6	175.8	-27.5	35.6	0	0	0	111.7	F231 A335	P210-F231 HydrophobicContact CB-CD2 4.06Å; P210-F231 HydrophobicContact CB-CE2 3.99Å; P210-F231 HydrophobicContact CG-CE2 4.13Å; P210-A335 HydrophobicContact CB-CB 4.34Å; P210-A335 VanDerWaalsContact O-CB 3.25Å; P210-A335 WeakPolarHBondContact O-CB 3.13Å; P210-A335 PolarHBondContact O-N 3.14Å
211	S	95.4	Very high	96	Very high	3 Å²	3	31.4 Å²	31.4	2%	0.021	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	155.6	-179.6	-73.9	0	0	0	0	110.6	L206 Q209 F231 F232 R333	L206-S211 PolarHBondContact O-OG 2.88Å; Q209-S211 PolarHBondContact O-N 3.09Å; Q209-S211 VanDerWaalsContact O-N 3.09Å; Q209-S211 PolarHBondContact O-OG 2.89Å; S211-F231 CarbonylContact O-C 3.46Å; S211-F231 WeakPolarHBondContact O-CA 3.35Å; S211-F232 PolarHBondContact N-O 2.96Å; S211-F232 PolarHBondContact O-N 3.38Å; S211-R333 CarbonylContact C-O 3.55Å; S211-R333 WeakPolarHBondContact CA-O 3.39Å; S211-R333 WeakPolarHBondContact CB-O 3.37Å
212	T	98.2	Very high	96	Very high	17 Å²	17	30.9 Å²	30.9	10%	0.104	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	133.2	165.1	-57.1	0	0	0	0	108.6	W165 E228 Y229 V332 R333	W165-T212 HydrophobicContact CH2-CG2 3.87Å; W165-T212 HydrophobicContact CZ3-CG2 4.3Å; T212-E228 HydrophobicContact CG2-CG 3.68Å; T212-Y229 VanDerWaalsContact CA-O 3.3Å; T212-Y229 WeakPolarHBondContact CA-O 3.36Å; T212-Y229 WeakPolarHBondContact CG2-O 3.48Å; T212-V332 VanDerWaalsContact O-CA 3.27Å; T212-V332 WeakPolarHBondContact O-CA 3.49Å; T212-R333 PolarHBondContact N-O 3.17Å; T212-R333 PolarHBondContact O-N 3.43Å; T212-R333 VanDerWaalsContact O-N 3.11Å
213	L	98.8	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131	169	171	70.3	0	0	0	109.1	I168 I215 E228 Y229 F232 L256 M330 V332	I168-L213 HydrophobicContact CD1-CD1 4.16Å; L213-I215 HydrophobicContact CD1-CG1 4.36Å; L213-I215 HydrophobicContact CD2-CD1 4.03Å; L213-I215 HydrophobicContact CD2-CG1 4.07Å; L213-I215 HydrophobicContact CG-CG1 4.04Å; L213-E228 CarbonylContact O-C 3.47Å; L213-E228 VanDerWaalsContact O-CA 3.27Å; L213-E228 WeakPolarHBondContact O-CA 3.43Å; L213-E228 WeakPolarHBondContact O-CG 3.27Å; L213-Y229 HydrophobicContact CD2-CD2 4.01Å; L213-Y229 HydrophobicContact CG-CD2 4.41Å; L213-Y229 PolarHBondContact N-O 3.24Å; L213-Y229 PolarHBondContact O-N 3.26Å; L213-F232 HydrophobicContact CB-CB 3.56Å; L213-F232 HydrophobicContact CB-CD1 3.99Å; L213-F232 HydrophobicContact CB-CD2 3.89Å; L213-F232 HydrophobicContact CB-CG 3.56Å; L213-F232 HydrophobicContact CD1-CE1 4.47Å; L213-F232 HydrophobicContact CD1-CZ 4.45Å; L213-F232 HydrophobicContact CD2-CD2 3.64Å; L213-F232 HydrophobicContact CD2-CE2 3.74Å; L213-F232 HydrophobicContact CD2-CG 4.21Å; L213-F232 HydrophobicContact CD2-CZ 4.41Å; L213-F232 HydrophobicContact CG-CD2 4.27Å; L213-F232 HydrophobicContact CG-CG 4.36Å; L213-L256 HydrophobicContact CD2-CD2 3.87Å; L213-M330 HydrophobicContact CD1-CB 4.26Å; L213-M330 HydrophobicContact CD1-CE 4.11Å; L213-M330 HydrophobicContact CD2-CE 4.16Å; L213-V332 HydrophobicContact CD1-CG1 3.98Å
214	R	98.7	Very high	96	Very high	20 Å²	20	39.9 Å²	39.9	8%	0.075	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	130.4	169.1	-178.6	175.5	178.9	76.1	9.9	109.8	W165 E216 E228 K331	W165-R214 HydrophobicContact CE3-CB 4.27Å; W165-R214 HydrophobicContact CH2-CB 3.7Å; W165-R214 HydrophobicContact CZ2-CB 4.23Å; W165-R214 HydrophobicContact CZ3-CB 3.72Å; R214-E216 HydrophobicContact CG-CG 4.24Å; R214-E216 IonicContact CZ-OE1 2.72Å; R214-E216 VanDerWaalsContact CZ-OE1 3.3Å; R214-E216 IonicContact NE-OE1 3.88Å; R214-E216 PolarHBondContact NE-OE1 3.46Å; R214-E216 IonicContact NH2-OE1 3.65Å; R214-E216 PolarHBondContact NH2-OE1 2.92Å; R214-E228 HydrophobicContact CB-CG 4.34Å; R214-E228 IonicContact CZ-OE2 2.89Å; R214-E228 IonicContact NH1-OE2 2.73Å; R214-E228 PolarHBondContact NH1-OE2 2.79Å; R214-K331 HydrophobicContact CB-CG 4.08Å; R214-K331 PolarHBondContact N-O 3.43Å; R214-K331 PolarHBondContact O-N 2.97Å
215	I	98.8	Very high	96.2	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	123	176.3	-51.5	178.6	0	0	0	107.7	L213 L217 Y226 A227 Y229 L256 L296 W315 V328 E329 M330	L213-I215 HydrophobicContact CD1-CG1 4.36Å; L213-I215 HydrophobicContact CD2-CD1 4.03Å; L213-I215 HydrophobicContact CD2-CG1 4.07Å; L213-I215 HydrophobicContact CG-CG1 4.04Å; I215-L217 HydrophobicContact CG2-CD2 3.6Å; I215-L217 HydrophobicContact CG2-CG 4.25Å; I215-Y226 CarbonylContact O-C 3.56Å; I215-Y226 WeakPolarHBondContact O-CA 3.43Å; I215-Y226 WeakPolarHBondContact O-CB 3.31Å; I215-A227 HydrophobicContact CB-CB 4.43Å; I215-A227 PolarHBondContact N-O 2.75Å; I215-A227 PolarHBondContact O-N 3.29Å; I215-Y229 HydrophobicContact CD1-CE2 4.16Å; I215-L256 HydrophobicContact CD1-CD2 4.12Å; I215-L296 HydrophobicContact CD1-CD1 4.1Å; I215-L296 HydrophobicContact CG2-CD1 3.77Å; I215-W315 HydrophobicContact CD1-CH2 3.96Å; I215-W315 HydrophobicContact CD1-CZ3 3.97Å; I215-V328 HydrophobicContact CG2-CG1 4.31Å; I215-E329 CarbonylContact C-O 3.57Å; I215-E329 WeakPolarHBondContact CA-O 3.46Å; I215-M330 HydrophobicContact CD1-CE 4.27Å; I215-M330 HydrophobicContact CG1-CE 4.47Å; I215-M330 HydrophobicContact CG1-CG 4.26Å; I215-M330 HydrophobicContact CG2-CG 4.33Å
216	E	98.6	Very high	96.4	Very high	47 Å²	47	46.1 Å²	46.1	22%	0.22	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	133.5	176	-61.8	-169.1	147.5	0	0	109.9	T160 R214 V328 E329 K331	T160-E216 VanDerWaalsContact CG2-OE1 3.29Å; T160-E216 WeakPolarHBondContact CG2-OE1 3.33Å; R214-E216 HydrophobicContact CG-CG 4.24Å; R214-E216 IonicContact CZ-OE1 2.72Å; R214-E216 VanDerWaalsContact CZ-OE1 3.3Å; R214-E216 IonicContact NE-OE1 3.88Å; R214-E216 PolarHBondContact NE-OE1 3.46Å; R214-E216 IonicContact NH2-OE1 3.65Å; R214-E216 PolarHBondContact NH2-OE1 2.92Å; E216-V328 CarbonylContact O-C 3.51Å; E216-V328 VanDerWaalsContact O-CA 3.27Å; E216-V328 WeakPolarHBondContact O-CA 3.39Å; E216-E329 PolarHBondContact N-O 3.25Å; E216-E329 PolarHBondContact O-N 2.94Å; E216-K331 VanDerWaalsContact CD-NZ 3.27Å; E216-K331 IonicContact OE1-NZ 3.3Å; E216-K331 WeakPolarHBondContact OE2-CE 3.39Å; E216-K331 IonicContact OE2-NZ 3.87Å; E216-K331 PolarHBondContact OE2-NZ 2.84Å
217	L	98.8	Very high	96.6	Very high	3 Å²	3	45.9 Å²	45.9	2%	0.016	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137	-171.6	-50.2	174.5	0	0	0	108.9	I215 T224 R225 A252 L296 W315 W318 L325 V328	I215-L217 HydrophobicContact CG2-CD2 3.6Å; I215-L217 HydrophobicContact CG2-CG 4.25Å; L217-T224 CarbonylContact O-C 3.58Å; L217-T224 VanDerWaalsContact O-CA 3.23Å; L217-T224 WeakPolarHBondContact O-CA 3.41Å; L217-R225 PolarHBondContact N-O 2.86Å; L217-R225 PolarHBondContact O-N 3.18Å; L217-A252 HydrophobicContact CD1-CB 3.83Å; L217-L296 HydrophobicContact CD2-CD2 4.01Å; L217-W315 HydrophobicContact CD1-CB 4.02Å; L217-W315 HydrophobicContact CD1-CD2 3.81Å; L217-W315 HydrophobicContact CD1-CE3 4.41Å; L217-W315 HydrophobicContact CD1-CG 3.63Å; L217-W318 HydrophobicContact CB-CE3 4.23Å; L217-W318 HydrophobicContact CB-CZ3 3.77Å; L217-W318 HydrophobicContact CD1-CE3 4.28Å; L217-L325 HydrophobicContact CB-CD1 4.16Å; L217-L325 HydrophobicContact CD1-CD1 4.29Å; L217-L325 HydrophobicContact CD2-CD1 3.77Å; L217-L325 HydrophobicContact CG-CD1 4.29Å; L217-V328 HydrophobicContact CD2-CB 4.43Å; L217-V328 HydrophobicContact CD2-CG1 4.01Å; L217-V328 HydrophobicContact CD2-CG2 3.9Å
218	E	98.6	Very high	96.8	Very high	35 Å²	35	47.3 Å²	47.3	16%	0.164	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.8	172.6	-167.9	-169.6	135.6	0	0	109.2	Q223 T224 K326 R327	E218-Q223 WeakPolarHBondContact CA-O 3.16Å; E218-T224 HydrophobicContact CB-CG2 4.21Å; E218-T224 HydrophobicContact CG-CG2 3.99Å; E218-K326 WeakPolarHBondContact O-CB 3.2Å; E218-K326 PolarHBondContact O-N 3.16Å; E218-K326 WeakPolarHBondContact OE1-CE 3.44Å; E218-K326 IonicContact OE1-NZ 3.09Å; E218-K326 PolarHBondContact OE1-NZ 2.94Å; E218-R327 HydrophobicContact CB-CB 3.87Å; E218-R327 HydrophobicContact CB-CG 4.25Å; E218-R327 PolarHBondContact N-O 3.4Å; E218-R327 PolarHBondContact O-N 3.09Å; E218-R327 VanDerWaalsContact O-N 3.09Å; E218-R327 VanDerWaalsContact OE2-CD 3.24Å; E218-R327 WeakPolarHBondContact OE2-CD 3.48Å; E218-R327 IonicContact OE2-NE 2.74Å; E218-R327 IonicContact OE2-NH1 3.72Å
219	D	98.3	Very high	97.2	Very high	6 Å²	6	44.5 Å²	44.5	3%	0.032	22%	0.222	C	C	.	.			trans	-90.9	-177.3	173.4	72.5	7.6	0	0	0	112.2	E221 G222 Q223 W318 H319 Y323 K326	D219-E221 VanDerWaalsContact C-N 3.31Å; D219-E221 VanDerWaalsContact CG-OE2 3.29Å; D219-E221 PolarHBondContact OD1-N 2.9Å; D219-E221 VanDerWaalsContact OD1-N 3.16Å; D219-G222 PolarHBondContact O-N 2.87Å; D219-G222 PolarHBondContact OD1-N 3.19Å; D219-Q223 PolarHBondContact N-O 3.08Å; D219-Q223 VanDerWaalsContact N-O 3.09Å; D219-Q223 PolarHBondContact OD1-N 3.25Å; D219-Q223 WeakPolarHBondContact OD2-CB 3.35Å; D219-W318 HydrophobicContact CB-CH2 3.51Å; D219-W318 HydrophobicContact CB-CZ2 3.84Å; D219-W318 HydrophobicContact CB-CZ3 4.24Å; D219-W318 WeakPolarHBondContact OD2-CZ2 3.28Å; D219-H319 WeakPolarHBondContact CB-NE2 3.46Å; D219-H319 IonicContact OD2-CE1 3.74Å; D219-H319 IonicContact OD2-NE2 3.69Å; D219-H319 PolarHBondContact OD2-NE2 3.21Å; D219-H319 VanDerWaalsContact OD2-NE2 3.09Å; D219-Y323 HydrophobicContact CB-CE1 4.04Å; D219-Y323 WeakPolarHBondContact CB-OH 3.45Å; D219-K326 WeakPolarHBondContact O-CB 3.49Å; D219-K326 VanDerWaalsContact O-CD 3.28Å; D219-K326 WeakPolarHBondContact O-CD 3.22Å
220	W	97.4	Very high	97.7	Very high	57 Å²	57	40.8 Å²	40.8	22%	0.216	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-19.1	-176.8	-68.2	86	0	0	0	113.3	G222 L300 Y301 R302 Y303 G304 Y323 S324 K326	W220-G222 VanDerWaalsContact C-N 3.29Å; W220-L300 HydrophobicContact CZ2-CD1 4.23Å; W220-Y301 WeakPolarHBondContact CZ2-O 3.43Å; W220-R302 HydrophobicContact CH2-CB 4.02Å; W220-R302 HydrophobicContact CH2-CG 3.93Å; W220-R302 HydrophobicContact CZ2-CB 4.36Å; W220-R302 HydrophobicContact CZ2-CG 4.48Å; W220-R302 HydrophobicContact CZ3-CB 4.5Å; W220-Y303 VanDerWaalsContact CE2-N 3.33Å; W220-G304 VanDerWaalsContact NE1-N 3.12Å; W220-Y323 AromaticContact CD1-CE1 3.9Å; W220-Y323 AromaticContact CD1-CZ 3.86Å; W220-Y323 PolarHBondContact N-OH 3.43Å; W220-S324 PolarHBondContact NE1-O 3.26Å; W220-K326 HydrophobicContact CD2-CB 3.78Å; W220-K326 HydrophobicContact CD2-CD 4.23Å; W220-K326 HydrophobicContact CD2-CG 3.95Å; W220-K326 HydrophobicContact CE3-CB 4.31Å; W220-K326 HydrophobicContact CE3-CD 4.05Å; W220-K326 HydrophobicContact CE3-CG 3.95Å; W220-K326 HydrophobicContact CG-CB 4.02Å; W220-K326 HydrophobicContact CH2-CG 4.1Å; W220-K326 HydrophobicContact CZ2-CB 4.05Å; W220-K326 HydrophobicContact CZ2-CG 4.11Å; W220-K326 HydrophobicContact CZ3-CD 4.44Å; W220-K326 HydrophobicContact CZ3-CG 4.04Å
221	E	97.4	Very high	98.1	Very high	123 Å²	123	41.2 Å²	41.2	58%	0.575	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	-6.9	173.5	-62.4	69.3	-150	0	0	112.6	D219 Y323	D219-E221 VanDerWaalsContact C-N 3.31Å; D219-E221 VanDerWaalsContact CG-OE2 3.29Å; D219-E221 PolarHBondContact OD1-N 2.9Å; D219-E221 VanDerWaalsContact OD1-N 3.16Å; E221-Y323 PolarHBondContact OE2-OH 2.57Å
222	G	97.4	Very high	98.2	Very high	38 Å²	38	41 Å²	41	39%	0.392	21%	0.206	S	C	.	.			trans	83.7	10.7	178.5	0	0	0	0	0	114.1	D219 W220	D219-G222 PolarHBondContact O-N 2.87Å; D219-G222 PolarHBondContact OD1-N 3.19Å; W220-G222 VanDerWaalsContact C-N 3.29Å
223	Q	98.4	Very high	98.2	Very high	122 Å²	122	41.4 Å²	41.4	57%	0.57	21%	0.208	S	C	*	.			trans	-71.5	141.1	169.4	-59.8	-60.9	-53.7	0	0	109.4	E218 D219 W318	E218-Q223 WeakPolarHBondContact CA-O 3.16Å; D219-Q223 PolarHBondContact N-O 3.08Å; D219-Q223 VanDerWaalsContact N-O 3.09Å; D219-Q223 PolarHBondContact OD1-N 3.25Å; D219-Q223 WeakPolarHBondContact OD2-CB 3.35Å; Q223-W318 HydrophobicContact CB-CH2 4.43Å; Q223-W318 HydrophobicContact CB-CZ2 4Å; Q223-W318 WeakPolarHBondContact O-CH2 3.41Å
224	T	98.4	Very high	98.1	Very high	95 Å²	95	41.7 Å²	41.7	58%	0.583	21%	0.21	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-118.7	141.7	177.9	55.9	0	0	0	0	110.8	L217 E218	L217-T224 CarbonylContact O-C 3.58Å; L217-T224 VanDerWaalsContact O-CA 3.23Å; L217-T224 WeakPolarHBondContact O-CA 3.41Å; E218-T224 HydrophobicContact CB-CG2 4.21Å; E218-T224 HydrophobicContact CG-CG2 3.99Å
225	R	98.6	Very high	98	Very high	91 Å²	91	41.4 Å²	41.4	34%	0.343	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	162.5	173.9	-64.7	-164.3	179.4	-159.1	9.9	110.2	L217 N251 A252 W318	L217-R225 PolarHBondContact N-O 2.86Å; L217-R225 PolarHBondContact O-N 3.18Å; R225-N251 WeakPolarHBondContact CA-OD1 3.28Å; R225-N251 WeakPolarHBondContact CB-OD1 3.45Å; R225-N251 WeakPolarHBondContact CD-O 3.29Å; R225-N251 PolarHBondContact NH1-O 2.96Å; R225-A252 HydrophobicContact CB-CB 3.88Å; R225-W318 HydrophobicContact CB-CE3 4.38Å; R225-W318 HydrophobicContact CB-CZ3 4.36Å; R225-W318 HydrophobicContact CG-CD2 4.21Å; R225-W318 HydrophobicContact CG-CE3 4.37Å; R225-W318 HydrophobicContact CG-CH2 4.23Å; R225-W318 HydrophobicContact CG-CZ2 4.08Å; R225-W318 HydrophobicContact CG-CZ3 4.38Å; R225-W318 VanDerWaalsContact CZ-CD1 3.44Å
226	Y	98.8	Very high	97.8	Very high	79 Å²	79	43 Å²	43	31%	0.31	22%	0.222	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	152.6	174.2	74.9	-84	0	0	0	112.4	I215 E228 G250 N251 A252	I215-Y226 CarbonylContact O-C 3.56Å; I215-Y226 WeakPolarHBondContact O-CA 3.43Å; I215-Y226 WeakPolarHBondContact O-CB 3.31Å; Y226-E228 HydrophobicContact CD2-CB 4.25Å; Y226-E228 HydrophobicContact CE2-CB 4.36Å; Y226-G250 VanDerWaalsContact CE2-CA 3.47Å; Y226-G250 CarbonylContact O-C 3.57Å; Y226-G250 WeakPolarHBondContact O-CA 3.45Å; Y226-N251 PolarHBondContact N-OD1 2.75Å; Y226-N251 PolarHBondContact O-N 3.3Å; Y226-N251 PolarHBondContact O-OD1 2.97Å; Y226-A252 WeakPolarHBondContact O-CB 3.42Å; Y226-A252 PolarHBondContact O-N 3.11Å
227	A	98.8	Very high	97.7	Very high	0 Å²	0	43.9 Å²	43.9	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	132.9	166.8	0	0	0	0	0	107.9	I215 Y229 Y248 A252 W315	I215-A227 HydrophobicContact CB-CB 4.43Å; I215-A227 PolarHBondContact N-O 2.75Å; I215-A227 PolarHBondContact O-N 3.29Å; A227-Y229 HydrophobicContact CB-CE2 4.08Å; A227-Y248 HydrophobicContact CB-CE2 3.8Å; A227-A252 HydrophobicContact CB-CB 4.22Å; A227-W315 HydrophobicContact CB-CH2 3.93Å; A227-W315 HydrophobicContact CB-CZ2 3.61Å
228	E	98.6	Very high	97.4	Very high	31 Å²	31	48.7 Å²	48.7	15%	0.145	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	135.2	-179	-167.1	167.4	113.9	0	0	110	T212 L213 R214 Y226 Y248 S249	T212-E228 HydrophobicContact CG2-CG 3.68Å; L213-E228 CarbonylContact O-C 3.47Å; L213-E228 VanDerWaalsContact O-CA 3.27Å; L213-E228 WeakPolarHBondContact O-CA 3.43Å; L213-E228 WeakPolarHBondContact O-CG 3.27Å; R214-E228 HydrophobicContact CB-CG 4.34Å; R214-E228 IonicContact CZ-OE2 2.89Å; R214-E228 IonicContact NH1-OE2 2.73Å; R214-E228 PolarHBondContact NH1-OE2 2.79Å; Y226-E228 HydrophobicContact CD2-CB 4.25Å; Y226-E228 HydrophobicContact CE2-CB 4.36Å; E228-Y248 CarbonylContact O-C 3.56Å; E228-Y248 VanDerWaalsContact O-CA 3.3Å; E228-Y248 WeakPolarHBondContact O-CA 3.48Å; E228-S249 PolarHBondContact N-O 3.07Å; E228-S249 PolarHBondContact O-N 3.24Å
229	Y	98.6	Very high	97.2	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.008	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	111.6	-179.1	-60.6	-91.2	0	0	0	107.8	T212 L213 I215 A227 F231 I245 A246 Y248 D254 L256	T212-Y229 VanDerWaalsContact CA-O 3.3Å; T212-Y229 WeakPolarHBondContact CA-O 3.36Å; T212-Y229 WeakPolarHBondContact CG2-O 3.48Å; L213-Y229 HydrophobicContact CD2-CD2 4.01Å; L213-Y229 HydrophobicContact CG-CD2 4.41Å; L213-Y229 PolarHBondContact N-O 3.24Å; L213-Y229 PolarHBondContact O-N 3.26Å; I215-Y229 HydrophobicContact CD1-CE2 4.16Å; A227-Y229 HydrophobicContact CB-CE2 4.08Å; Y229-F231 PolarHBondContact O-N 3.05Å; Y229-F231 VanDerWaalsContact O-N 3.15Å; Y229-I245 HydrophobicContact CD1-CB 3.92Å; Y229-I245 HydrophobicContact CD1-CD1 3.93Å; Y229-I245 HydrophobicContact CD1-CG1 4.46Å; Y229-I245 HydrophobicContact CD1-CG2 4.32Å; Y229-I245 HydrophobicContact CE1-CD1 3.69Å; Y229-I245 HydrophobicContact CG-CB 4.31Å; Y229-I245 HydrophobicContact CG-CG2 4.26Å; Y229-A246 CarbonylContact C-O 3.48Å; Y229-Y248 HydrophobicContact CD1-CD2 4.37Å; Y229-Y248 AromaticContact CE1-CD2 3.69Å; Y229-Y248 HydrophobicContact CE1-CD2 3.69Å; Y229-Y248 HydrophobicContact CE1-CG 4.25Å; Y229-Y248 HydrophobicContact CE2-CD2 4.37Å; Y229-Y248 AromaticContact CZ-CD2 3.67Å; Y229-D254 WeakPolarHBondContact CE1-OD1 3.5Å; Y229-D254 PolarHBondContact OH-OD1 2.06Å; Y229-L256 HydrophobicContact CD2-CD2 4.32Å; Y229-L256 HydrophobicContact CE1-CB 4.28Å; Y229-L256 HydrophobicContact CE2-CB 4Å; Y229-L256 HydrophobicContact CE2-CD2 3.88Å; Y229-L256 WeakPolarHBondContact OH-CB 3.49Å; Y229-L256 PolarHBondContact OH-N 2.87Å
230	G	97.1	Very high	97.2	Very high	26 Å²	26	50.3 Å²	50.3	27%	0.268	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.6	-14.8	-178.7	0	0	0	0	0	114.1	A246 N247	G230-A246 PolarHBondContact N-O 3.47Å; G230-N247 PolarHBondContact N-O 3.06Å
231	F	97	Very high	97.2	Very high	70 Å²	70	47.6 Å²	47.6	31%	0.307	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	126.4	168.9	-176.8	-88.6	0	0	0	109.2	P210 S211 Y229 T233 F244 I245 A246	P210-F231 HydrophobicContact CB-CD2 4.06Å; P210-F231 HydrophobicContact CB-CE2 3.99Å; P210-F231 HydrophobicContact CG-CE2 4.13Å; S211-F231 CarbonylContact O-C 3.46Å; S211-F231 WeakPolarHBondContact O-CA 3.35Å; Y229-F231 PolarHBondContact O-N 3.05Å; Y229-F231 VanDerWaalsContact O-N 3.15Å; F231-T233 HydrophobicContact CE1-CG2 4.08Å; F231-T233 HydrophobicContact CE2-CG2 4.29Å; F231-T233 HydrophobicContact CZ-CG2 3.78Å; F231-F244 HydrophobicContact CE1-CB 3.98Å; F231-I245 CarbonylContact O-C 3.39Å; F231-I245 VanDerWaalsContact O-CA 3.23Å; F231-I245 WeakPolarHBondContact O-CA 3.48Å; F231-A246 HydrophobicContact CB-CB 3.99Å; F231-A246 PolarHBondContact N-O 3.1Å; F231-A246 PolarHBondContact O-N 2.96Å
232	F	98.1	Very high	97.3	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.6	122.1	176	172.4	-105.6	0	0	0	109.1	I168 I203 T207 S211 L213 V234 L243 F244 I245 W287 V332	I168-F232 HydrophobicContact CD1-CE1 4.25Å; I168-F232 HydrophobicContact CD1-CZ 4.21Å; I203-F232 HydrophobicContact CG2-CE1 4.13Å; I203-F232 HydrophobicContact CG2-CZ 4.26Å; T207-F232 HydrophobicContact CG2-CD1 3.69Å; T207-F232 HydrophobicContact CG2-CE1 3.68Å; S211-F232 PolarHBondContact N-O 2.96Å; S211-F232 PolarHBondContact O-N 3.38Å; L213-F232 HydrophobicContact CB-CB 3.56Å; L213-F232 HydrophobicContact CB-CD1 3.99Å; L213-F232 HydrophobicContact CB-CD2 3.89Å; L213-F232 HydrophobicContact CB-CG 3.56Å; L213-F232 HydrophobicContact CD1-CE1 4.47Å; L213-F232 HydrophobicContact CD1-CZ 4.45Å; L213-F232 HydrophobicContact CD2-CD2 3.64Å; L213-F232 HydrophobicContact CD2-CE2 3.74Å; L213-F232 HydrophobicContact CD2-CG 4.21Å; L213-F232 HydrophobicContact CD2-CZ 4.41Å; L213-F232 HydrophobicContact CG-CD2 4.27Å; L213-F232 HydrophobicContact CG-CG 4.36Å; F232-V234 HydrophobicContact CE1-CG2 3.99Å; F232-V234 HydrophobicContact CE2-CG2 4.02Å; F232-V234 HydrophobicContact CZ-CG2 3.49Å; F232-V234 VanDerWaalsContact CZ-CG2 3.49Å; F232-L243 HydrophobicContact CD2-CD1 3.68Å; F232-L243 HydrophobicContact CE2-CD1 3.33Å; F232-L243 HydrophobicContact CZ-CD1 4.42Å; F232-F244 WeakPolarHBondContact CA-O 3.37Å; F232-I245 HydrophobicContact CB-CG2 4.48Å; F232-I245 HydrophobicContact CD2-CG2 3.71Å; F232-W287 HydrophobicContact CZ-CH2 4.43Å; F232-V332 HydrophobicContact CD1-CG1 3.68Å; F232-V332 HydrophobicContact CE1-CG1 3.58Å
233	T	96.9	Very high	97.3	Very high	25 Å²	25	42.5 Å²	42.5	15%	0.153	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	149.9	169.1	65.3	0	0	0	0	110.1	F231 F244	F231-T233 HydrophobicContact CE1-CG2 4.08Å; F231-T233 HydrophobicContact CE2-CG2 4.29Å; F231-T233 HydrophobicContact CZ-CG2 3.78Å; T233-F244 PolarHBondContact N-O 3.42Å; T233-F244 PolarHBondContact O-N 3.11Å
234	V	97.5	Very high	97.3	Very high	5 Å²	5	40.4 Å²	40.4	3%	0.03	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	135.2	174.2	176.5	0	0	0	0	107.2	I203 F204 T207 F232 Y241 K242 W287	I203-V234 HydrophobicContact CG2-CB 4.14Å; I203-V234 HydrophobicContact CG2-CG2 3.68Å; F204-V234 VanDerWaalsContact CD2-O 3.27Å; F204-V234 WeakPolarHBondContact CD2-O 3.44Å; T207-V234 PolarHBondContact OG1-N 3.49Å; F232-V234 HydrophobicContact CE1-CG2 3.99Å; F232-V234 HydrophobicContact CE2-CG2 4.02Å; F232-V234 HydrophobicContact CZ-CG2 3.49Å; F232-V234 VanDerWaalsContact CZ-CG2 3.49Å; V234-Y241 HydrophobicContact CG1-CD1 4.47Å; V234-K242 CarbonylContact C-O 3.29Å; V234-K242 WeakPolarHBondContact CA-O 3.31Å; V234-W287 HydrophobicContact CG1-CZ2 4.39Å; V234-W287 HydrophobicContact CG2-CH2 4.49Å; V234-W287 HydrophobicContact CG2-CZ2 3.78Å
235	G	95.6	Very high	97.3	Very high	14 Å²	14	36.4 Å²	36.4	14%	0.144	18%	0.181	C	C	.	.			trans	-68.8	171.8	175.3	0	0	0	0	0	113	Y241 K242	G235-Y241 WeakPolarHBondContact O-CA 3.49Å; G235-Y241 WeakPolarHBondContact O-CD1 3.43Å; G235-K242 PolarHBondContact N-O 3.08Å
236	N	94.9	Very high	97.1	Very high	35 Å²	35	34 Å²	34	19%	0.187	18%	0.181	C	C	.	.			trans	-74.3	178.5	168.8	65.6	10.8	0	0	0	111.7	F204 L238 N239 S240 Y241	F204-N236 HydrophobicContact CD1-CB 4.2Å; F204-N236 HydrophobicContact CD2-CB 4.26Å; F204-N236 HydrophobicContact CE1-CB 3.9Å; F204-N236 HydrophobicContact CE2-CB 3.96Å; F204-N236 HydrophobicContact CG-CB 4.37Å; F204-N236 HydrophobicContact CZ-CB 3.77Å; N236-L238 VanDerWaalsContact C-N 3.3Å; N236-L238 PolarHBondContact O-N 2.91Å; N236-L238 PolarHBondContact OD1-N 2.96Å; N236-N239 CarbonylContact O-C 3.58Å; N236-N239 PolarHBondContact O-N 3.02Å; N236-N239 VanDerWaalsContact O-N 3.16Å; N236-N239 PolarHBondContact OD1-N 2.99Å; N236-N239 PolarHBondContact OD1-ND2 2.86Å; N236-S240 PolarHBondContact O-N 2.8Å; N236-Y241 PolarHBondContact O-N 2.84Å
237	E	96.1	Very high	97	Very high	65 Å²	65	36.1 Å²	36.1	30%	0.304	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	-60.5	-36.1	179.3	-171.4	170.5	-153.8	0	0	113.7	W182 K186 N239 S240 Y241	W182-E237 HydrophobicContact CZ2-CG 4.08Å; W182-E237 PolarHBondContact NE1-OE1 2.73Å; K186-E237 VanDerWaalsContact CE-OE2 3.31Å; K186-E237 WeakPolarHBondContact CE-OE2 3.46Å; K186-E237 IonicContact NZ-OE1 2.66Å; K186-E237 IonicContact NZ-OE2 2.89Å; K186-E237 PolarHBondContact NZ-OE2 3.27Å; E237-N239 PolarHBondContact O-N 3.28Å; E237-S240 WeakPolarHBondContact O-CA 3.42Å; E237-S240 PolarHBondContact O-N 2.97Å; E237-Y241 HydrophobicContact CB-CE1 3.95Å; E237-Y241 HydrophobicContact CB-CE2 4.21Å; E237-Y241 WeakPolarHBondContact CB-OH 3.3Å; E237-Y241 HydrophobicContact CG-CE2 4.04Å; E237-Y241 WeakPolarHBondContact CG-OH 3.45Å
238	L	93.1	Very high	97	Very high	103 Å²	103	39.6 Å²	39.6	54%	0.539	21%	0.211	S	C	.	.	G	3₁₀ helix	trans	-62.9	-30.6	179.1	-65.5	175.1	0	0	0	111.7	Y96 N236 S240	Y96-L238 HydrophobicContact CE1-CD1 4.19Å; N236-L238 VanDerWaalsContact C-N 3.3Å; N236-L238 PolarHBondContact O-N 2.91Å; N236-L238 PolarHBondContact OD1-N 2.96Å; L238-S240 VanDerWaalsContact C-N 3.29Å
239	N	94.2	Very high	97	Very high	61 Å²	61	40.7 Å²	40.7	33%	0.326	22%	0.222	S	C	.	.	G	3₁₀ helix	trans	-95.6	24.5	173	-66.4	-71.6	0	0	0	112	N236 E237 Y241 K242	N236-N239 CarbonylContact O-C 3.58Å; N236-N239 PolarHBondContact O-N 3.02Å; N236-N239 VanDerWaalsContact O-N 3.16Å; N236-N239 PolarHBondContact OD1-N 2.99Å; N236-N239 PolarHBondContact OD1-ND2 2.86Å; E237-N239 PolarHBondContact O-N 3.28Å; N239-Y241 PolarHBondContact O-N 2.91Å; N239-K242 WeakPolarHBondContact O-CB 3.39Å; N239-K242 PolarHBondContact O-N 3.11Å
240	S	97.6	Very high	97	Very high	14 Å²	14	42 Å²	42	10%	0.098	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.4	37.9	179.8	-67.1	0	0	0	0	113.8	N236 E237 L238 K242 F264 N271	N236-S240 PolarHBondContact O-N 2.8Å; E237-S240 WeakPolarHBondContact O-CA 3.42Å; E237-S240 PolarHBondContact O-N 2.97Å; L238-S240 VanDerWaalsContact C-N 3.29Å; S240-K242 PolarHBondContact O-N 2.97Å; S240-F264 WeakPolarHBondContact O-CB 3.39Å; S240-F264 PolarHBondContact O-N 2.99Å; S240-N271 PolarHBondContact OG-OD1 3.29Å
241	Y	98.5	Very high	97	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	40.8	-177.9	-50.6	-72.7	0	0	0	113.7	W182 K186 N200 D201 V234 G235 N236 E237 N239 L243 W287	W182-Y241 AromaticContact CE2-CE2 3.79Å; W182-Y241 AromaticContact CH2-CD2 3.48Å; W182-Y241 HydrophobicContact CH2-CD2 3.48Å; W182-Y241 VanDerWaalsContact CH2-CD2 3.48Å; W182-Y241 AromaticContact CH2-CE2 3.77Å; W182-Y241 HydrophobicContact CH2-CE2 3.77Å; W182-Y241 AromaticContact CZ2-CD2 3.52Å; W182-Y241 HydrophobicContact CZ2-CD2 3.52Å; W182-Y241 AromaticContact CZ2-CE2 3.3Å; W182-Y241 HydrophobicContact CZ2-CE2 3.3Å; W182-Y241 HydrophobicContact CZ3-CD2 4.28Å; K186-Y241 WeakPolarHBondContact CD-OH 3.41Å; K186-Y241 VanDerWaalsContact CG-OH 3.23Å; K186-Y241 WeakPolarHBondContact CG-OH 3.28Å; K186-Y241 PolarHBondContact NZ-OH 3.32Å; N200-Y241 HydrophobicContact CB-CD1 3.49Å; N200-Y241 VanDerWaalsContact CB-CD1 3.49Å; N200-Y241 HydrophobicContact CB-CD2 3.66Å; N200-Y241 HydrophobicContact CB-CE1 3.52Å; N200-Y241 HydrophobicContact CB-CE2 3.68Å; N200-Y241 HydrophobicContact CB-CG 3.56Å; N200-Y241 VanDerWaalsContact ND2-CD2 3.28Å; N200-Y241 WeakPolarHBondContact ND2-CD2 3.31Å; D201-Y241 WeakPolarHBondContact OD1-CE1 3.36Å; D201-Y241 PolarHBondContact OD1-OH 3.46Å; V234-Y241 HydrophobicContact CG1-CD1 4.47Å; G235-Y241 WeakPolarHBondContact O-CA 3.49Å; G235-Y241 WeakPolarHBondContact O-CD1 3.43Å; N236-Y241 PolarHBondContact O-N 2.84Å; E237-Y241 HydrophobicContact CB-CE1 3.95Å; E237-Y241 HydrophobicContact CB-CE2 4.21Å; E237-Y241 WeakPolarHBondContact CB-OH 3.3Å; E237-Y241 HydrophobicContact CG-CE2 4.04Å; E237-Y241 WeakPolarHBondContact CG-OH 3.45Å; N239-Y241 PolarHBondContact O-N 2.91Å; Y241-L243 PolarHBondContact O-N 3.24Å; Y241-W287 PolarHBondContact O-NE1 2.91Å
242	K	98.4	Very high	97.1	Very high	55 Å²	55	41.3 Å²	41.3	24%	0.239	23%	0.229	C	C	.	.			trans	-52.3	136.2	-176.8	-164.9	171.9	-158.1	-170.8	0	113.1	V234 G235 N239 S240 F244 N261 T262 N263	V234-K242 CarbonylContact C-O 3.29Å; V234-K242 WeakPolarHBondContact CA-O 3.31Å; G235-K242 PolarHBondContact N-O 3.08Å; N239-K242 WeakPolarHBondContact O-CB 3.39Å; N239-K242 PolarHBondContact O-N 3.11Å; S240-K242 PolarHBondContact O-N 2.97Å; K242-F244 HydrophobicContact CB-CE2 4.26Å; K242-F244 HydrophobicContact CD-CE2 4.11Å; K242-F244 HydrophobicContact CD-CZ 3.78Å; K242-F244 HydrophobicContact CG-CE2 4.11Å; K242-F244 HydrophobicContact CG-CZ 4.17Å; K242-N261 WeakPolarHBondContact CE-O 3.15Å; K242-N261 WeakPolarHBondContact CE-OD1 3.36Å; K242-N261 PolarHBondContact NZ-OD1 3Å; K242-T262 WeakPolarHBondContact CA-O 3.22Å; K242-T262 WeakPolarHBondContact CG-O 3.35Å; K242-N263 WeakPolarHBondContact CG-OD1 3.46Å
243	L	98.4	Very high	97.1	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	131.6	179.4	178.5	61.8	0	0	0	111.7	F232 Y241 I245 L256 H259 N261 T262 W287	F232-L243 HydrophobicContact CD2-CD1 3.68Å; F232-L243 HydrophobicContact CE2-CD1 3.33Å; F232-L243 HydrophobicContact CZ-CD1 4.42Å; Y241-L243 PolarHBondContact O-N 3.24Å; L243-I245 HydrophobicContact CD1-CG2 3.82Å; L243-I245 HydrophobicContact CG-CG2 4.22Å; L243-L256 HydrophobicContact CD2-CD1 4.23Å; L243-L256 HydrophobicContact CD2-CD2 4.29Å; L243-L256 HydrophobicContact CD2-CG 4.12Å; L243-H259 HydrophobicContact CD2-CB 4.11Å; L243-N261 VanDerWaalsContact O-CA 3.25Å; L243-N261 WeakPolarHBondContact O-CA 3.47Å; L243-N261 PolarHBondContact O-N 3.03Å; L243-T262 PolarHBondContact N-O 2.83Å; L243-W287 HydrophobicContact CB-CB 4.16Å; L243-W287 VanDerWaalsContact CB-CD1 3.45Å; L243-W287 HydrophobicContact CB-CD2 3.96Å; L243-W287 HydrophobicContact CB-CG 3.61Å; L243-W287 HydrophobicContact CD1-CD2 4.44Å; L243-W287 HydrophobicContact CD2-CB 4.07Å; L243-W287 HydrophobicContact CD2-CD2 3.95Å; L243-W287 HydrophobicContact CD2-CE3 4.09Å; L243-W287 HydrophobicContact CD2-CG 3.97Å; L243-W287 HydrophobicContact CG-CD2 4.35Å; L243-W287 HydrophobicContact CG-CG 4.35Å
244	F	98	Very high	97.2	Very high	78 Å²	78	43.2 Å²	43.2	34%	0.342	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	127.8	163.8	-61.6	-83.5	0	0	0	110.5	F231 F232 T233 K242 N260 N261	F231-F244 HydrophobicContact CE1-CB 3.98Å; F232-F244 WeakPolarHBondContact CA-O 3.37Å; T233-F244 PolarHBondContact N-O 3.42Å; T233-F244 PolarHBondContact O-N 3.11Å; K242-F244 HydrophobicContact CB-CE2 4.26Å; K242-F244 HydrophobicContact CD-CE2 4.11Å; K242-F244 HydrophobicContact CD-CZ 3.78Å; K242-F244 HydrophobicContact CG-CE2 4.11Å; K242-F244 HydrophobicContact CG-CZ 4.17Å; F244-N260 WeakPolarHBondContact CA-OD1 3.31Å; F244-N261 WeakPolarHBondContact CE1-OD1 3.37Å
245	I	98.1	Very high	97.2	Very high	10 Å²	10	43.2 Å²	43.2	5%	0.051	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	148.1	177.1	49.6	165.6	0	0	0	111.9	Y229 F231 F232 L243 L256 N260	Y229-I245 HydrophobicContact CD1-CB 3.92Å; Y229-I245 HydrophobicContact CD1-CD1 3.93Å; Y229-I245 HydrophobicContact CD1-CG1 4.46Å; Y229-I245 HydrophobicContact CD1-CG2 4.32Å; Y229-I245 HydrophobicContact CE1-CD1 3.69Å; Y229-I245 HydrophobicContact CG-CB 4.31Å; Y229-I245 HydrophobicContact CG-CG2 4.26Å; F231-I245 CarbonylContact O-C 3.39Å; F231-I245 VanDerWaalsContact O-CA 3.23Å; F231-I245 WeakPolarHBondContact O-CA 3.48Å; F232-I245 HydrophobicContact CB-CG2 4.48Å; F232-I245 HydrophobicContact CD2-CG2 3.71Å; L243-I245 HydrophobicContact CD1-CG2 3.82Å; L243-I245 HydrophobicContact CG-CG2 4.22Å; I245-L256 HydrophobicContact CD1-CB 3.96Å; I245-L256 HydrophobicContact CD1-CD2 4.04Å; I245-L256 HydrophobicContact CD1-CG 3.81Å; I245-L256 WeakPolarHBondContact CD1-O 3.42Å; I245-L256 HydrophobicContact CG2-CD2 4.29Å; I245-N260 HydrophobicContact CD1-CB 4.18Å; I245-N260 HydrophobicContact CG1-CB 3.73Å; I245-N260 PolarHBondContact N-OD1 2.85Å; I245-N260 PolarHBondContact O-ND2 3.09Å
246	A	95.3	Very high	97.4	Very high	42 Å²	42	42.5 Å²	42.5	35%	0.347	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	175.5	169	0	0	0	0	0	111.3	Y229 G230 F231	Y229-A246 CarbonylContact C-O 3.48Å; G230-A246 PolarHBondContact N-O 3.47Å; F231-A246 HydrophobicContact CB-CB 3.99Å; F231-A246 PolarHBondContact N-O 3.1Å; F231-A246 PolarHBondContact O-N 2.96Å
247	N	97	Very high	97.5	Very high	123 Å²	123	48.8 Å²	48.8	66%	0.658	26%	0.259	S	S	*	.	E	Extended strand (participates in β ladder)	trans	57.5	53.8	175.1	-55.5	-20.1	0	0	0	112.7	G230	G230-N247 PolarHBondContact N-O 3.06Å
248	Y	98.6	Very high	97.6	Very high	72 Å²	72	49.5 Å²	49.5	28%	0.282	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	139.7	175.4	168.7	-93.6	0	0	0	111.5	A227 E228 Y229 G250 G253 D254	A227-Y248 HydrophobicContact CB-CE2 3.8Å; E228-Y248 CarbonylContact O-C 3.56Å; E228-Y248 VanDerWaalsContact O-CA 3.3Å; E228-Y248 WeakPolarHBondContact O-CA 3.48Å; Y229-Y248 HydrophobicContact CD1-CD2 4.37Å; Y229-Y248 AromaticContact CE1-CD2 3.69Å; Y229-Y248 HydrophobicContact CE1-CD2 3.69Å; Y229-Y248 HydrophobicContact CE1-CG 4.25Å; Y229-Y248 HydrophobicContact CE2-CD2 4.37Å; Y229-Y248 AromaticContact CZ-CD2 3.67Å; Y248-G250 PolarHBondContact OH-O 3.13Å; Y248-G250 VanDerWaalsContact OH-O 3.1Å; Y248-G253 VanDerWaalsContact OH-CA 3.31Å; Y248-G253 WeakPolarHBondContact OH-CA 3.24Å; Y248-G253 PolarHBondContact OH-N 3.01Å; Y248-D254 HydrophobicContact CD1-CB 3.9Å; Y248-D254 HydrophobicContact CD2-CB 3.78Å; Y248-D254 HydrophobicContact CE1-CB 3.96Å; Y248-D254 HydrophobicContact CE2-CB 3.79Å; Y248-D254 HydrophobicContact CG-CB 3.82Å
249	S	98.4	Very high	97.8	Very high	54 Å²	54	44.6 Å²	44.6	38%	0.378	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	166.7	165.1	69.3	0	0	0	0	109.9	E228	E228-S249 PolarHBondContact N-O 3.07Å; E228-S249 PolarHBondContact O-N 3.24Å
250	G	97.9	Very high	98	Very high	29 Å²	29	44.6 Å²	44.6	30%	0.299	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	120.8	179.1	177.4	0	0	0	0	0	113.6	Y226 Y248	Y226-G250 VanDerWaalsContact CE2-CA 3.47Å; Y226-G250 CarbonylContact O-C 3.57Å; Y226-G250 WeakPolarHBondContact O-CA 3.45Å; Y248-G250 PolarHBondContact OH-O 3.13Å; Y248-G250 VanDerWaalsContact OH-O 3.1Å
251	N	98.3	Very high	97.9	Very high	82 Å²	82	47.2 Å²	47.2	44%	0.439	25%	0.246	S	C	.	.	S	Bend	trans	-111.5	-0.1	-170.4	65.1	0.5	0	0	0	113.8	R225 Y226 G253	R225-N251 WeakPolarHBondContact CA-OD1 3.28Å; R225-N251 WeakPolarHBondContact CB-OD1 3.45Å; R225-N251 WeakPolarHBondContact CD-O 3.29Å; R225-N251 PolarHBondContact NH1-O 2.96Å; Y226-N251 PolarHBondContact N-OD1 2.75Å; Y226-N251 PolarHBondContact O-N 3.3Å; Y226-N251 PolarHBondContact O-OD1 2.97Å; N251-G253 VanDerWaalsContact C-N 3.32Å
252	A	98.3	Very high	97.9	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	25%	0.247	C	C	.	.	S	Bend	trans	-77.4	-13.6	176.7	0	0	0	0	0	114.3	L217 R225 Y226 A227 W315	L217-A252 HydrophobicContact CD1-CB 3.83Å; R225-A252 HydrophobicContact CB-CB 3.88Å; Y226-A252 WeakPolarHBondContact O-CB 3.42Å; Y226-A252 PolarHBondContact O-N 3.11Å; A227-A252 HydrophobicContact CB-CB 4.22Å; A252-W315 VanDerWaalsContact O-CD1 3.31Å; A252-W315 PolarHBondContact O-NE1 2.89Å
253	G	98.4	Very high	97.9	Very high	25 Å²	25	47 Å²	47	26%	0.258	25%	0.248	S	C	.	.			trans	75.4	155.6	-165.4	0	0	0	0	0	111.3	Y248 N251 S255 W315	Y248-G253 VanDerWaalsContact OH-CA 3.31Å; Y248-G253 WeakPolarHBondContact OH-CA 3.24Å; Y248-G253 PolarHBondContact OH-N 3.01Å; N251-G253 VanDerWaalsContact C-N 3.32Å; G253-S255 PolarHBondContact O-N 3.25Å; G253-W315 VanDerWaalsContact O-CE2 3.27Å; G253-W315 WeakPolarHBondContact O-CZ2 3.44Å; G253-W315 PolarHBondContact O-NE1 3.39Å
254	D	98.4	Very high	97.9	Very high	41 Å²	41	47 Å²	47	22%	0.219	25%	0.248	C	C	.	.			trans	-95.8	76	-167.3	-170.5	2	0	0	0	113.1	Y229 Y248 R257	Y229-D254 WeakPolarHBondContact CE1-OD1 3.5Å; Y229-D254 PolarHBondContact OH-OD1 2.06Å; Y248-D254 HydrophobicContact CD1-CB 3.9Å; Y248-D254 HydrophobicContact CD2-CB 3.78Å; Y248-D254 HydrophobicContact CE1-CB 3.96Å; Y248-D254 HydrophobicContact CE2-CB 3.79Å; Y248-D254 HydrophobicContact CG-CB 3.82Å; D254-R257 VanDerWaalsContact CG-CB 3.49Å; D254-R257 WeakPolarHBondContact OD1-CB 3.47Å; D254-R257 PolarHBondContact OD1-N 3.35Å; D254-R257 VanDerWaalsContact OD1-N 3.14Å; D254-R257 VanDerWaalsContact OD2-CB 3.31Å; D254-R257 WeakPolarHBondContact OD2-CB 3.45Å; D254-R257 IonicContact OD2-NE 3.84Å
255	S	98.4	Very high	97.9	Very high	4 Å²	4	43.2 Å²	43.2	3%	0.028	23%	0.231	C	C	.	.			trans	-83.2	-10.7	177.4	-77.2	0	0	0	0	114.6	G253 H259 D293 S294 Y316 A317	G253-S255 PolarHBondContact O-N 3.25Å; S255-H259 PolarHBondContact O-CD2 3.39Å; S255-H259 VanDerWaalsContact O-CD2 3.29Å; S255-D293 VanDerWaalsContact CB-O 3.24Å; S255-D293 WeakPolarHBondContact CB-O 3.42Å; S255-D293 WeakPolarHBondContact O-CB 3.35Å; S255-D293 PolarHBondContact OG-O 3.03Å; S255-S294 PolarHBondContact O-OG 2.81Å; S255-Y316 PolarHBondContact OG-N 2.96Å; S255-A317 WeakPolarHBondContact OG-CB 3.46Å; S255-A317 PolarHBondContact OG-N 3.01Å
256	L	98.3	Very high	98	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.229	C	C	.	.	S	Bend	trans	-85.3	-21.4	175.7	-159.6	64.6	0	0	0	112.3	L213 I215 Y229 L243 I245 Y258 H259 N260 Y286 W315	L213-L256 HydrophobicContact CD2-CD2 3.87Å; I215-L256 HydrophobicContact CD1-CD2 4.12Å; Y229-L256 HydrophobicContact CD2-CD2 4.32Å; Y229-L256 HydrophobicContact CE1-CB 4.28Å; Y229-L256 HydrophobicContact CE2-CB 4Å; Y229-L256 HydrophobicContact CE2-CD2 3.88Å; Y229-L256 WeakPolarHBondContact OH-CB 3.49Å; Y229-L256 PolarHBondContact OH-N 2.87Å; L243-L256 HydrophobicContact CD2-CD1 4.23Å; L243-L256 HydrophobicContact CD2-CD2 4.29Å; L243-L256 HydrophobicContact CD2-CG 4.12Å; I245-L256 HydrophobicContact CD1-CB 3.96Å; I245-L256 HydrophobicContact CD1-CD2 4.04Å; I245-L256 HydrophobicContact CD1-CG 3.81Å; I245-L256 WeakPolarHBondContact CD1-O 3.42Å; I245-L256 HydrophobicContact CG2-CD2 4.29Å; L256-Y258 PolarHBondContact O-N 3.24Å; L256-Y258 VanDerWaalsContact O-N 3.14Å; L256-H259 HydrophobicContact CD1-CB 4.1Å; L256-H259 WeakPolarHBondContact O-CA 2.99Å; L256-H259 VanDerWaalsContact O-CB 3.24Å; L256-H259 WeakPolarHBondContact O-CB 3.33Å; L256-H259 PolarHBondContact O-N 3.07Å; L256-N260 PolarHBondContact O-N 2.98Å; L256-Y286 HydrophobicContact CD1-CE1 4.16Å; L256-Y286 WeakPolarHBondContact CD1-OH 3.15Å; L256-W315 HydrophobicContact CB-CH2 3.94Å; L256-W315 HydrophobicContact CB-CZ3 4.36Å
257	R	98.1	Very high	98	Very high	167 Å²	167	44.4 Å²	44.4	63%	0.63	23%	0.23	S	C	*	.	G	3₁₀ helix	trans	-53.7	-35.9	179.7	179.6	176.4	64.6	86.4	6.1	114.2	D254 H259 N260	D254-R257 VanDerWaalsContact CG-CB 3.49Å; D254-R257 WeakPolarHBondContact OD1-CB 3.47Å; D254-R257 PolarHBondContact OD1-N 3.35Å; D254-R257 VanDerWaalsContact OD1-N 3.14Å; D254-R257 VanDerWaalsContact OD2-CB 3.31Å; D254-R257 WeakPolarHBondContact OD2-CB 3.45Å; D254-R257 IonicContact OD2-NE 3.84Å; R257-H259 PolarHBondContact O-N 2.94Å; R257-N260 WeakPolarHBondContact O-CB 3.42Å; R257-N260 PolarHBondContact O-N 2.81Å; R257-N260 VanDerWaalsContact O-N 3.1Å
258	Y	97.6	Very high	97.9	Very high	80 Å²	80	43.3 Å²	43.3	31%	0.314	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-64.6	-19.5	176.5	-176.8	-113.8	0	0	0	113.4	L256 N289 C290 D293	L256-Y258 PolarHBondContact O-N 3.24Å; L256-Y258 VanDerWaalsContact O-N 3.14Å; Y258-N289 HydrophobicContact CD1-CB 4.05Å; Y258-N289 HydrophobicContact CE1-CB 3.55Å; Y258-N289 WeakPolarHBondContact CE2-ND2 3.5Å; Y258-N289 PolarHBondContact O-ND2 2.73Å; Y258-C290 PolarHBondContact OH-N 3.47Å; Y258-C290 PolarHBondContact OH-O 3.04Å; Y258-D293 VanDerWaalsContact CB-OD2 3.29Å; Y258-D293 WeakPolarHBondContact CB-OD2 3.19Å; Y258-D293 HydrophobicContact CD1-CB 4.32Å
259	H	98	Very high	97.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.226	C	C	.	.	G	3₁₀ helix	trans	-95	-0.7	177.3	-56.6	-94.5	0	0	0	113	L243 S255 L256 R257 N261 T262 Y286 W287 T292 D293 S294	L243-H259 HydrophobicContact CD2-CB 4.11Å; S255-H259 PolarHBondContact O-CD2 3.39Å; S255-H259 VanDerWaalsContact O-CD2 3.29Å; L256-H259 HydrophobicContact CD1-CB 4.1Å; L256-H259 WeakPolarHBondContact O-CA 2.99Å; L256-H259 VanDerWaalsContact O-CB 3.24Å; L256-H259 WeakPolarHBondContact O-CB 3.33Å; L256-H259 PolarHBondContact O-N 3.07Å; R257-H259 PolarHBondContact O-N 2.94Å; H259-N261 PolarHBondContact O-N 2.04Å; H259-T262 PolarHBondContact O-N 2.86Å; H259-T262 PolarHBondContact O-OG1 3.21Å; H259-Y286 AromaticContact CE1-CD1 3.88Å; H259-Y286 AromaticContact CE1-CE1 3.79Å; H259-Y286 AromaticContact ND1-CD1 3.88Å; H259-Y286 AromaticContact ND1-CE1 3.86Å; H259-W287 HydrophobicContact CB-CB 4.33Å; H259-W287 WeakPolarHBondContact CB-O 3.49Å; H259-W287 PolarHBondContact ND1-O 3.45Å; H259-T292 PolarHBondContact CE1-OG1 2.89Å; H259-T292 PolarHBondContact NE2-OG1 3.48Å; H259-D293 PolarHBondContact NE2-N 2.72Å; H259-D293 VanDerWaalsContact NE2-N 3.18Å; H259-S294 PolarHBondContact CD2-OG 2.93Å; H259-S294 PolarHBondContact NE2-N 3.19Å; H259-S294 VanDerWaalsContact NE2-N 3.19Å; H259-S294 PolarHBondContact NE2-OG 3.1Å
260	N	98	Very high	97.8	Very high	60 Å²	60	44.3 Å²	44.3	32%	0.321	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	138.8	178.7	-165.7	15.7	0	0	0	110.5	F244 I245 L256 R257 T262	F244-N260 WeakPolarHBondContact CA-OD1 3.31Å; I245-N260 HydrophobicContact CD1-CB 4.18Å; I245-N260 HydrophobicContact CG1-CB 3.73Å; I245-N260 PolarHBondContact N-OD1 2.85Å; I245-N260 PolarHBondContact O-ND2 3.09Å; L256-N260 PolarHBondContact O-N 2.98Å; R257-N260 WeakPolarHBondContact O-CB 3.42Å; R257-N260 PolarHBondContact O-N 2.81Å; R257-N260 VanDerWaalsContact O-N 3.1Å; N260-T262 VanDerWaalsContact C-N 3.28Å; N260-T262 PolarHBondContact O-N 3.31Å
261	N	96.6	Very high	97.7	Very high	69 Å²	69	44.8 Å²	44.8	37%	0.369	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.4	36.2	178.9	-168.6	42.1	0	0	0	113.2	K242 L243 F244 H259 K273	K242-N261 WeakPolarHBondContact CE-O 3.15Å; K242-N261 WeakPolarHBondContact CE-OD1 3.36Å; K242-N261 PolarHBondContact NZ-OD1 3Å; L243-N261 VanDerWaalsContact O-CA 3.25Å; L243-N261 WeakPolarHBondContact O-CA 3.47Å; L243-N261 PolarHBondContact O-N 3.03Å; F244-N261 WeakPolarHBondContact CE1-OD1 3.37Å; H259-N261 PolarHBondContact O-N 2.04Å; N261-K273 PolarHBondContact O-NZ 3.34Å; N261-K273 VanDerWaalsContact O-NZ 3.07Å
262	T	97.6	Very high	97.5	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.006	21%	0.207	C	C	.	.			trans	-114.3	155	170	65.6	0	0	0	0	111.1	K242 L243 H259 N260 K273 W287 Y288 N289	K242-T262 WeakPolarHBondContact CA-O 3.22Å; K242-T262 WeakPolarHBondContact CG-O 3.35Å; L243-T262 PolarHBondContact N-O 2.83Å; H259-T262 PolarHBondContact O-N 2.86Å; H259-T262 PolarHBondContact O-OG1 3.21Å; N260-T262 VanDerWaalsContact C-N 3.28Å; N260-T262 PolarHBondContact O-N 3.31Å; T262-K273 HydrophobicContact CG2-CD 4.48Å; T262-W287 WeakPolarHBondContact OG1-CB 3.09Å; T262-W287 PolarHBondContact OG1-O 3.4Å; T262-Y288 WeakPolarHBondContact CB-O 3.48Å; T262-N289 HydrophobicContact CG2-CB 3.9Å
263	N	98.4	Very high	97.2	Very high	49 Å²	49	47.6 Å²	47.6	26%	0.262	23%	0.232	S	C	.	.			trans	-84.5	156.7	178.5	-65.8	-15.3	0	0	0	109.9	K242 N271 W287	K242-N263 WeakPolarHBondContact CG-OD1 3.46Å; N263-N271 HydrophobicContact CB-CB 3.54Å; N263-W287 WeakPolarHBondContact O-CA 3.48Å
264	F	98.7	Very high	96.9	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	23%	0.228	C	C	.	.			trans	-74.6	137.9	172.9	-158.9	-94	0	0	0	109.8	W182 Y185 W197 N200 S240 T266 N271 G285 W287	W182-F264 HydrophobicContact CE3-CD1 4.5Å; W182-F264 HydrophobicContact CH2-CB 4.48Å; W182-F264 HydrophobicContact CZ3-CB 4.22Å; W182-F264 HydrophobicContact CZ3-CD1 4.04Å; W182-F264 VanDerWaalsContact CZ3-O 3.31Å; W182-F264 WeakPolarHBondContact CZ3-O 3.29Å; Y185-F264 AromaticContact CD1-CE1 3.64Å; Y185-F264 HydrophobicContact CD1-CE1 3.64Å; Y185-F264 AromaticContact CD1-CZ 3.42Å; Y185-F264 HydrophobicContact CD1-CZ 3.42Å; Y185-F264 VanDerWaalsContact CD1-CZ 3.42Å; Y185-F264 HydrophobicContact CD2-CE1 4.3Å; Y185-F264 HydrophobicContact CE1-CE1 4.29Å; Y185-F264 AromaticContact CE1-CZ 3.8Å; Y185-F264 HydrophobicContact CE1-CZ 3.8Å; Y185-F264 AromaticContact CG-CE1 3.65Å; Y185-F264 HydrophobicContact CG-CE1 3.65Å; Y185-F264 AromaticContact CG-CZ 3.96Å; Y185-F264 HydrophobicContact CG-CZ 3.96Å; W197-F264 HydrophobicContact CH2-CE2 4.41Å; W197-F264 HydrophobicContact CZ2-CE2 4.06Å; W197-F264 HydrophobicContact CZ2-CZ 4.24Å; N200-F264 WeakPolarHBondContact ND2-CD1 3.31Å; S240-F264 WeakPolarHBondContact O-CB 3.39Å; S240-F264 PolarHBondContact O-N 2.99Å; F264-T266 HydrophobicContact CD1-CG2 4.06Å; F264-T266 HydrophobicContact CE1-CG2 3.73Å; F264-N271 PolarHBondContact O-ND2 2.84Å; F264-G285 WeakPolarHBondContact CZ-O 3.45Å; F264-W287 AromaticContact CD2-CD1 3.85Å; F264-W287 AromaticContact CD2-CD2 3.83Å; F264-W287 HydrophobicContact CD2-CD2 3.83Å; F264-W287 AromaticContact CD2-CE2 3.62Å; F264-W287 HydrophobicContact CD2-CE3 4.47Å; F264-W287 HydrophobicContact CD2-CG 4.01Å; F264-W287 HydrophobicContact CD2-CZ2 4.12Å; F264-W287 AromaticContact CD2-NE1 3.63Å; F264-W287 HydrophobicContact CE2-CD2 4.27Å; F264-W287 HydrophobicContact CE2-CE3 4.48Å; F264-W287 HydrophobicContact CE2-CZ2 4.35Å
265	S	98.5	Very high	96.4	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.26	C	S	.	.	B	Isolated β-bridge	trans	-127	151.3	176.4	-58	0	0	0	0	110.4	K269 N271 D272 G285 Y286	S265-K269 WeakPolarHBondContact CA-O 3.17Å; S265-N271 VanDerWaalsContact OG-C 3.28Å; S265-N271 WeakPolarHBondContact OG-CA 3.34Å; S265-N271 PolarHBondContact OG-N 3.09Å; S265-D272 PolarHBondContact OG-N 3.14Å; S265-G285 CarbonylContact O-C 3.57Å; S265-G285 WeakPolarHBondContact O-CA 3.09Å; S265-Y286 PolarHBondContact N-O 3.06Å; S265-Y286 PolarHBondContact O-N 3.08Å; S265-Y286 VanDerWaalsContact O-N 3.08Å
266	T	98.4	Very high	96	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.285	C	S	.	.	B	Isolated β-bridge	trans	-139.5	166.9	176	57.2	0	0	0	0	109.2	W182 Y185 F264 N268 K269	W182-T266 HydrophobicContact CE3-CG2 4.09Å; W182-T266 PolarHBondContact N-OG1 2.76Å; Y185-T266 HydrophobicContact CD2-CG2 3.51Å; Y185-T266 HydrophobicContact CE2-CG2 4.26Å; Y185-T266 HydrophobicContact CG-CG2 3.98Å; F264-T266 HydrophobicContact CD1-CG2 4.06Å; F264-T266 HydrophobicContact CE1-CG2 3.73Å; T266-N268 PolarHBondContact O-N 3.49Å; T266-N268 PolarHBondContact OG1-OD1 3.46Å; T266-K269 PolarHBondContact N-O 3.02Å; T266-K269 CarbonylContact O-C 3.56Å; T266-K269 PolarHBondContact O-N 2.95Å; T266-K269 VanDerWaalsContact O-O 3.1Å
267	M	95.6	Very high	95.7	Very high	76 Å²	76	59.8 Å²	59.8	37%	0.374	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-13.1	-176	65.1	168.8	146.4	0	0	115.9	N179 D181	N179-M267 WeakPolarHBondContact O-CE 3.47Å; D181-M267 HydrophobicContact CB-CE 4.38Å
268	N	96.1	Very high	95.6	Very high	101 Å²	101	51.8 Å²	51.8	54%	0.54	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.9	11.9	178.5	74.5	-40.6	0	0	0	113.3	D181 W182 T266	D181-N268 WeakPolarHBondContact CA-OD1 3.46Å; D181-N268 WeakPolarHBondContact CB-OD1 3.47Å; W182-N268 PolarHBondContact N-OD1 2.85Å; T266-N268 PolarHBondContact O-N 3.49Å; T266-N268 PolarHBondContact OG1-OD1 3.46Å
269	K	96.8	Very high	95.6	Very high	70 Å²	70	48 Å²	48	30%	0.304	25%	0.253	S	S	.	.	B	Isolated β-bridge	trans	-150.7	98.7	173.1	-163.8	-177.3	-171.7	-176.5	0	108.7	W182 S265 T266	W182-K269 HydrophobicContact CB-CB 4.19Å; W182-K269 HydrophobicContact CD2-CB 4.21Å; W182-K269 HydrophobicContact CD2-CD 3.36Å; W182-K269 HydrophobicContact CD2-CG 4.37Å; W182-K269 HydrophobicContact CE3-CB 3.92Å; W182-K269 HydrophobicContact CE3-CD 3.53Å; W182-K269 HydrophobicContact CE3-CG 4.21Å; W182-K269 HydrophobicContact CG-CB 4.35Å; W182-K269 HydrophobicContact CG-CD 3.84Å; W182-K269 HydrophobicContact CH2-CD 3.96Å; W182-K269 HydrophobicContact CZ2-CD 3.83Å; W182-K269 HydrophobicContact CZ3-CD 3.82Å; S265-K269 WeakPolarHBondContact CA-O 3.17Å; T266-K269 PolarHBondContact N-O 3.02Å; T266-K269 CarbonylContact O-C 3.56Å; T266-K269 PolarHBondContact O-N 2.95Å; T266-K269 VanDerWaalsContact O-O 3.1Å
270	D	96.9	Very high	95.4	Very high	77 Å²	77	49.8 Å²	49.8	41%	0.412	27%	0.267	S	S	.	.			trans	-85.2	119	177.7	-173.1	1.4	0	0	0	110.1	D272	D270-D272 PolarHBondContact OD1-N 3.28Å
271	N	96.4	Very high	95.2	Very high	38 Å²	38	51.1 Å²	51.1	20%	0.203	27%	0.274	C	S	.	.			trans	-130.1	16.9	170.6	-54.4	-76.4	0	0	0	111	S240 N263 F264 S265	S240-N271 PolarHBondContact OG-OD1 3.29Å; N263-N271 HydrophobicContact CB-CB 3.54Å; F264-N271 PolarHBondContact O-ND2 2.84Å; S265-N271 VanDerWaalsContact OG-C 3.28Å; S265-N271 WeakPolarHBondContact OG-CA 3.34Å; S265-N271 PolarHBondContact OG-N 3.09Å
272	D	93.7	Very high	95.2	Very high	20 Å²	20	49.3 Å²	49.3	11%	0.107	26%	0.262	C	S	.	.	S	Bend	trans	-79.3	178.8	-178.1	73.6	56.2	0	0	0	111.1	S265 D270 C274 C278	S265-D272 PolarHBondContact OG-N 3.14Å; D270-D272 PolarHBondContact OD1-N 3.28Å; D272-C274 WeakPolarHBondContact OD1-CA 3.39Å; D272-C274 WeakPolarHBondContact OD1-CB 3.49Å; D272-C274 PolarHBondContact OD1-N 2.94Å; D272-C278 WeakPolarHBondContact OD2-CB 3.42Å; D272-C278 PolarHBondContact OD2-N 3.22Å
273	K	92.1	Very high	95.2	Very high	121 Å²	121	53 Å²	53	53%	0.526	28%	0.278	S	S	.	.	S	Bend	trans	-104.5	11.9	-175.1	-63.6	-178.8	-175.5	165.5	0	111.8	N261 T262 N289	N261-K273 PolarHBondContact O-NZ 3.34Å; N261-K273 VanDerWaalsContact O-NZ 3.07Å; T262-K273 HydrophobicContact CG2-CD 4.48Å; K273-N289 WeakPolarHBondContact CD-OD1 3.45Å; K273-N289 PolarHBondContact N-O 3.38Å; K273-N289 VanDerWaalsContact N-O 3.08Å
274	C	91.4	Very high	95.2	Very high	27 Å²	27	50.7 Å²	50.7	18%	0.182	27%	0.266	C	S	.	.	S	Bend	trans	-100.4	167.3	-175.3	-142.2	0	0	0	0	110.9	D272 D276 C290	D272-C274 WeakPolarHBondContact OD1-CA 3.39Å; D272-C274 WeakPolarHBondContact OD1-CB 3.49Å; D272-C274 PolarHBondContact OD1-N 2.94Å; C274-D276 WeakPolarHBondContact CB-O 3.35Å; C274-C290 WeakPolarHBondContact CA-SG 3.15Å; C274-C290 HydrophobicContact CB-CB 3.47Å; C274-C290 VanDerWaalsContact CB-CB 3.47Å; C274-C290 WeakPolarHBondContact CB-SG 3.22Å; C274-C290 WeakPolarHBondContact SG-CA 3.3Å; C274-C290 WeakPolarHBondContact SG-CB 3.3Å; C274-C290 CovalentContact SG-SG 2.06Å; C274-C290 PolarHBondContact SG-SG 3.25Å
275	V	88.9	Confident	95.2	Very high	146 Å²	146	50.7 Å²	50.7	89%	0.885	27%	0.266	S	S	*	.	S	Bend	trans	-83.2	-31.9	171.2	178.1	0	0	0	0	110.5
276	D	89.5	Confident	95.2	Very high	103 Å²	103	50.7 Å²	50.7	55%	0.551	27%	0.266	S	S	*	.	S	Bend	trans	-89	145.1	175.7	-60.4	-51.3	0	0	0	110.6	C274 C278 L281	C274-D276 WeakPolarHBondContact CB-O 3.35Å; D276-C278 PolarHBondContact O-N 2.93Å; D276-L281 HydrophobicContact CB-CD1 3.85Å
277	D	92.1	Very high	95.2	Very high	50 Å²	50	50.7 Å²	50.7	27%	0.267	27%	0.266	S	S	.	.			trans	-69.3	101.7	174.6	179.6	-20.4	0	0	0	110.4	A279 A280 L281	D277-A279 VanDerWaalsContact C-N 3.31Å; D277-A279 PolarHBondContact O-N 3.02Å; D277-A279 PolarHBondContact OD1-N 3.26Å; D277-A280 HydrophobicContact CB-CB 3.9Å; D277-A280 VanDerWaalsContact CG-CB 3.45Å; D277-A280 PolarHBondContact O-N 3.16Å; D277-A280 PolarHBondContact OD1-N 3.29Å; D277-L281 WeakPolarHBondContact O-CG 3.42Å; D277-L281 PolarHBondContact O-N 3.44Å; D277-L281 VanDerWaalsContact O-N 3.09Å
278	C	96.7	Very high	95.3	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-66.9	-33.2	-176.7	-68	0	0	0	0	112.1	D272 D276 L281 R282 Y288 C291	D272-C278 WeakPolarHBondContact OD2-CB 3.42Å; D272-C278 PolarHBondContact OD2-N 3.22Å; D276-C278 PolarHBondContact O-N 2.93Å; C278-L281 PolarHBondContact O-N 2.95Å; C278-R282 WeakPolarHBondContact O-CB 3.25Å; C278-R282 VanDerWaalsContact O-CG 3.22Å; C278-R282 WeakPolarHBondContact O-CG 3.48Å; C278-R282 PolarHBondContact O-N 3.24Å; C278-Y288 HydrophobicContact CB-CD1 4.18Å; C278-Y288 HydrophobicContact CB-CD2 3.92Å; C278-Y288 HydrophobicContact CB-CG 3.66Å; C278-C291 VanDerWaalsContact CA-SG 3.56Å; C278-C291 HydrophobicContact CB-CB 3.64Å; C278-C291 WeakPolarHBondContact CB-SG 3.34Å; C278-C291 WeakPolarHBondContact SG-CA 3.05Å; C278-C291 WeakPolarHBondContact SG-CB 2.98Å; C278-C291 CovalentContact SG-SG 2.04Å; C278-C291 PolarHBondContact SG-SG 3.39Å
279	A	96.8	Very high	95.3	Very high	1 Å²	1	43.6 Å²	43.6	1%	0.008	23%	0.23	C	C	.	.	H	α-helix	trans	-69	-38.1	179	0	0	0	0	0	111.5	D277 L281 K283 Y288	D277-A279 VanDerWaalsContact C-N 3.31Å; D277-A279 PolarHBondContact O-N 3.02Å; D277-A279 PolarHBondContact OD1-N 3.26Å; A279-L281 VanDerWaalsContact C-N 3.35Å; A279-K283 PolarHBondContact O-N 2.89Å; A279-Y288 VanDerWaalsContact CA-CE2 3.48Å; A279-Y288 HydrophobicContact CB-CD2 4.11Å; A279-Y288 HydrophobicContact CB-CE2 3.75Å
280	A	94	Very high	95.1	Very high	36 Å²	36	43.2 Å²	43.2	30%	0.298	24%	0.235	S	C	.	.	H	α-helix	trans	-64.8	-37.4	172.7	0	0	0	0	0	112.3	D277 K283	D277-A280 HydrophobicContact CB-CB 3.9Å; D277-A280 VanDerWaalsContact CG-CB 3.45Å; D277-A280 PolarHBondContact O-N 3.16Å; D277-A280 PolarHBondContact OD1-N 3.29Å; A280-K283 WeakPolarHBondContact O-CD 3.44Å; A280-K283 VanDerWaalsContact O-CE 3.23Å; A280-K283 WeakPolarHBondContact O-CE 3.34Å; A280-K283 PolarHBondContact O-NZ 2.96Å
281	L	94.7	Very high	95	Very high	89 Å²	89	40.3 Å²	40.3	47%	0.466	22%	0.221	S	C	.	.	H	α-helix	trans	-73.6	-43.5	177.4	-71.9	172.2	0	0	0	112.9	D276 D277 C278 A279	D276-L281 HydrophobicContact CB-CD1 3.85Å; D277-L281 WeakPolarHBondContact O-CG 3.42Å; D277-L281 PolarHBondContact O-N 3.44Å; D277-L281 VanDerWaalsContact O-N 3.09Å; C278-L281 PolarHBondContact O-N 2.95Å; A279-L281 VanDerWaalsContact C-N 3.35Å
282	R	96.6	Very high	95	Very high	31 Å²	31	38.8 Å²	38.8	12%	0.117	21%	0.213	C	C	.	.	H	α-helix	trans	-93.5	-3.3	-171.4	-58.7	-60.9	176.3	147.8	2.6	114.3	C278 G284 Y288 C291 T292 N295 T310 Y316	C278-R282 WeakPolarHBondContact O-CB 3.25Å; C278-R282 VanDerWaalsContact O-CG 3.22Å; C278-R282 WeakPolarHBondContact O-CG 3.48Å; C278-R282 PolarHBondContact O-N 3.24Å; R282-G284 VanDerWaalsContact C-N 3.29Å; R282-G284 PolarHBondContact O-N 3.44Å; R282-Y288 HydrophobicContact CB-CE1 3.71Å; R282-Y288 VanDerWaalsContact CB-OH 3.29Å; R282-Y288 WeakPolarHBondContact CB-OH 3.44Å; R282-Y288 HydrophobicContact CG-CD1 4.48Å; R282-Y288 HydrophobicContact CG-CE1 3.85Å; R282-C291 HydrophobicContact CG-CB 4.48Å; R282-T292 HydrophobicContact CG-CG2 4.04Å; R282-T292 VanDerWaalsContact CZ-CG2 3.48Å; R282-N295 PolarHBondContact O-ND2 3.31Å; R282-T310 WeakPolarHBondContact CD-O 3.35Å; R282-T310 PolarHBondContact NH1-O 3.42Å; R282-Y316 PolarHBondContact NH1-OH 3.35Å
283	K	96.9	Very high	95.2	Very high	77 Å²	77	40.3 Å²	40.3	34%	0.335	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.9	34.5	170.6	-52.8	-60.7	-178	-161.2	0	114.5	N179 A279 A280 I299 D311	N179-K283 WeakPolarHBondContact CB-O 3.28Å; A279-K283 PolarHBondContact O-N 2.89Å; A280-K283 WeakPolarHBondContact O-CD 3.44Å; A280-K283 VanDerWaalsContact O-CE 3.23Å; A280-K283 WeakPolarHBondContact O-CE 3.34Å; A280-K283 PolarHBondContact O-NZ 2.96Å; K283-I299 HydrophobicContact CB-CD1 3.9Å; K283-I299 HydrophobicContact CB-CG1 3.85Å; K283-I299 HydrophobicContact CG-CD1 3.91Å; K283-I299 HydrophobicContact CG-CG1 4.39Å; K283-D311 HydrophobicContact CB-CB 4.05Å; K283-D311 HydrophobicContact CG-CB 3.73Å; K283-D311 VanDerWaalsContact CG-OD2 3.31Å; K283-D311 WeakPolarHBondContact CG-OD2 3.38Å
284	G	97.7	Very high	95.5	Very high	1 Å²	1	34.6 Å²	34.6	1%	0.01	20%	0.196	C	C	.	.	S	Bend	trans	-157.9	158.2	177.4	0	0	0	0	0	110.8	R282 Y288	R282-G284 VanDerWaalsContact C-N 3.29Å; R282-G284 PolarHBondContact O-N 3.44Å; G284-Y288 WeakPolarHBondContact O-CE2 3.02Å; G284-Y288 PolarHBondContact O-OH 3.26Å
285	G	98.5	Very high	95.8	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.187	C	C	.	.			trans	-85.8	129.7	169.3	0	0	0	0	0	110	Y185 F264 S265 N297	Y185-G285 VanDerWaalsContact CE2-CA 3.47Å; Y185-G285 VanDerWaalsContact CE2-N 3.32Å; Y185-G285 VanDerWaalsContact CZ-CA 3.46Å; Y185-G285 PolarHBondContact OH-N 3.14Å; F264-G285 WeakPolarHBondContact CZ-O 3.45Å; S265-G285 CarbonylContact O-C 3.57Å; S265-G285 WeakPolarHBondContact O-CA 3.09Å; G285-N297 WeakPolarHBondContact O-CB 3.31Å; G285-N297 PolarHBondContact O-ND2 3.32Å
286	Y	98.6	Very high	96.3	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.145	C	C	.	.	B	Isolated β-bridge	trans	-161.4	171	-175.2	-148.7	-115.6	0	0	0	111.6	L256 H259 S265 Y288 S294 L296 N297	L256-Y286 HydrophobicContact CD1-CE1 4.16Å; L256-Y286 WeakPolarHBondContact CD1-OH 3.15Å; H259-Y286 AromaticContact CE1-CD1 3.88Å; H259-Y286 AromaticContact CE1-CE1 3.79Å; H259-Y286 AromaticContact ND1-CD1 3.88Å; H259-Y286 AromaticContact ND1-CE1 3.86Å; S265-Y286 PolarHBondContact N-O 3.06Å; S265-Y286 PolarHBondContact O-N 3.08Å; S265-Y286 VanDerWaalsContact O-N 3.08Å; Y286-Y288 VanDerWaalsContact CB-CZ 3.45Å; Y286-Y288 HydrophobicContact CD1-CD1 4.48Å; Y286-Y288 HydrophobicContact CD1-CE1 4.34Å; Y286-Y288 HydrophobicContact CG-CE1 4.41Å; Y286-Y288 PolarHBondContact O-N 3.35Å; Y286-S294 WeakPolarHBondContact CD1-O 3.2Å; Y286-S294 WeakPolarHBondContact CE1-O 3.48Å; Y286-S294 WeakPolarHBondContact CE1-OG 3.44Å; Y286-S294 PolarHBondContact OH-OG 3.05Å; Y286-L296 HydrophobicContact CE2-CB 4.09Å; Y286-N297 HydrophobicContact CD2-CB 4.28Å
287	W	98.6	Very high	96.7	Very high	0 Å²	0	21.4 Å²	21.4	0%	0	12%	0.119	C	C	.	.			trans	-79.5	61.3	173.7	-62	-79	0	0	0	111.5	W197 F232 V234 Y241 L243 H259 T262 N263 F264 M330	W197-W287 AromaticContact CH2-CH2 3.8Å; W197-W287 HydrophobicContact CH2-CH2 3.8Å; W197-W287 HydrophobicContact CH2-CZ3 4.13Å; W197-W287 HydrophobicContact CZ2-CH2 4.31Å; F232-W287 HydrophobicContact CZ-CH2 4.43Å; V234-W287 HydrophobicContact CG1-CZ2 4.39Å; V234-W287 HydrophobicContact CG2-CH2 4.49Å; V234-W287 HydrophobicContact CG2-CZ2 3.78Å; Y241-W287 PolarHBondContact O-NE1 2.91Å; L243-W287 HydrophobicContact CB-CB 4.16Å; L243-W287 VanDerWaalsContact CB-CD1 3.45Å; L243-W287 HydrophobicContact CB-CD2 3.96Å; L243-W287 HydrophobicContact CB-CG 3.61Å; L243-W287 HydrophobicContact CD1-CD2 4.44Å; L243-W287 HydrophobicContact CD2-CB 4.07Å; L243-W287 HydrophobicContact CD2-CD2 3.95Å; L243-W287 HydrophobicContact CD2-CE3 4.09Å; L243-W287 HydrophobicContact CD2-CG 3.97Å; L243-W287 HydrophobicContact CG-CD2 4.35Å; L243-W287 HydrophobicContact CG-CG 4.35Å; H259-W287 HydrophobicContact CB-CB 4.33Å; H259-W287 WeakPolarHBondContact CB-O 3.49Å; H259-W287 PolarHBondContact ND1-O 3.45Å; T262-W287 WeakPolarHBondContact OG1-CB 3.09Å; T262-W287 PolarHBondContact OG1-O 3.4Å; N263-W287 WeakPolarHBondContact O-CA 3.48Å; F264-W287 AromaticContact CD2-CD1 3.85Å; F264-W287 AromaticContact CD2-CD2 3.83Å; F264-W287 HydrophobicContact CD2-CD2 3.83Å; F264-W287 AromaticContact CD2-CE2 3.62Å; F264-W287 HydrophobicContact CD2-CE3 4.47Å; F264-W287 HydrophobicContact CD2-CG 4.01Å; F264-W287 HydrophobicContact CD2-CZ2 4.12Å; F264-W287 AromaticContact CD2-NE1 3.63Å; F264-W287 HydrophobicContact CE2-CD2 4.27Å; F264-W287 HydrophobicContact CE2-CE3 4.48Å; F264-W287 HydrophobicContact CE2-CZ2 4.35Å; W287-M330 HydrophobicContact CZ3-CE 4.31Å
288	Y	98.3	Very high	96.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.			trans	-64.5	149.2	-175.8	-62.8	-61.4	0	0	0	112.8	T262 C278 A279 R282 G284 Y286 T292 N295	T262-Y288 WeakPolarHBondContact CB-O 3.48Å; C278-Y288 HydrophobicContact CB-CD1 4.18Å; C278-Y288 HydrophobicContact CB-CD2 3.92Å; C278-Y288 HydrophobicContact CB-CG 3.66Å; A279-Y288 VanDerWaalsContact CA-CE2 3.48Å; A279-Y288 HydrophobicContact CB-CD2 4.11Å; A279-Y288 HydrophobicContact CB-CE2 3.75Å; R282-Y288 HydrophobicContact CB-CE1 3.71Å; R282-Y288 VanDerWaalsContact CB-OH 3.29Å; R282-Y288 WeakPolarHBondContact CB-OH 3.44Å; R282-Y288 HydrophobicContact CG-CD1 4.48Å; R282-Y288 HydrophobicContact CG-CE1 3.85Å; G284-Y288 WeakPolarHBondContact O-CE2 3.02Å; G284-Y288 PolarHBondContact O-OH 3.26Å; Y286-Y288 VanDerWaalsContact CB-CZ 3.45Å; Y286-Y288 HydrophobicContact CD1-CD1 4.48Å; Y286-Y288 HydrophobicContact CD1-CE1 4.34Å; Y286-Y288 HydrophobicContact CG-CE1 4.41Å; Y286-Y288 PolarHBondContact O-N 3.35Å; Y288-T292 HydrophobicContact CE1-CG2 4.5Å; Y288-N295 PolarHBondContact OH-OD1 3.46Å; Y288-N295 VanDerWaalsContact OH-OD1 3.11Å
289	N	95.5	Very high	96.9	Very high	28 Å²	28	22.1 Å²	22.1	15%	0.15	12%	0.122	C	C	.	.	S	Bend	trans	-109.6	-103.2	170.5	-165.9	-11.4	0	0	0	108.2	Y258 T262 K273 C291	Y258-N289 HydrophobicContact CD1-CB 4.05Å; Y258-N289 HydrophobicContact CE1-CB 3.55Å; Y258-N289 WeakPolarHBondContact CE2-ND2 3.5Å; Y258-N289 PolarHBondContact O-ND2 2.73Å; T262-N289 HydrophobicContact CG2-CB 3.9Å; K273-N289 WeakPolarHBondContact CD-OD1 3.45Å; K273-N289 PolarHBondContact N-O 3.38Å; K273-N289 VanDerWaalsContact N-O 3.08Å; N289-C291 PolarHBondContact N-O 2.96Å
290	C	94.1	Very high	96.9	Very high	63 Å²	63	23.5 Å²	23.5	43%	0.426	13%	0.129	S	C	.	.	S	Bend	trans	-143.5	76.5	168.6	-173.8	0	0	0	0	111.6	Y258 C274	Y258-C290 PolarHBondContact OH-N 3.47Å; Y258-C290 PolarHBondContact OH-O 3.04Å; C274-C290 WeakPolarHBondContact CA-SG 3.15Å; C274-C290 HydrophobicContact CB-CB 3.47Å; C274-C290 VanDerWaalsContact CB-CB 3.47Å; C274-C290 WeakPolarHBondContact CB-SG 3.22Å; C274-C290 WeakPolarHBondContact SG-CA 3.3Å; C274-C290 WeakPolarHBondContact SG-CB 3.3Å; C274-C290 CovalentContact SG-SG 2.06Å; C274-C290 PolarHBondContact SG-SG 3.25Å
291	C	93.4	Very high	96.9	Very high	16 Å²	16	23.3 Å²	23.3	11%	0.108	12%	0.121	C	C	.	.	S	Bend	cis	-103.7	-50.1	-9.1	-75.3	0	0	0	0	112.2	C278 R282 N289	C278-C291 VanDerWaalsContact CA-SG 3.56Å; C278-C291 HydrophobicContact CB-CB 3.64Å; C278-C291 WeakPolarHBondContact CB-SG 3.34Å; C278-C291 WeakPolarHBondContact SG-CA 3.05Å; C278-C291 WeakPolarHBondContact SG-CB 2.98Å; C278-C291 CovalentContact SG-SG 2.04Å; C278-C291 PolarHBondContact SG-SG 3.39Å; R282-C291 HydrophobicContact CG-CB 4.48Å; N289-C291 PolarHBondContact N-O 2.96Å
292	T	96.5	Very high	96.9	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.031	13%	0.126	C	C	.	.			trans	-163	145.7	-166.2	179.6	0	0	0	0	113.8	H259 R282 Y288 S294 N295 Y316	H259-T292 PolarHBondContact CE1-OG1 2.89Å; H259-T292 PolarHBondContact NE2-OG1 3.48Å; R282-T292 HydrophobicContact CG-CG2 4.04Å; R282-T292 VanDerWaalsContact CZ-CG2 3.48Å; Y288-T292 HydrophobicContact CE1-CG2 4.5Å; T292-S294 PolarHBondContact OG1-N 3.29Å; T292-S294 PolarHBondContact OG1-O 2.99Å; T292-N295 HydrophobicContact CG2-CB 4.49Å; T292-Y316 WeakPolarHBondContact O-CE2 3.41Å; T292-Y316 VanDerWaalsContact O-CZ 3.22Å; T292-Y316 PolarHBondContact O-OH 2.96Å; T292-Y316 VanDerWaalsContact O-OH 3.11Å
293	D	97.6	Very high	96.7	Very high	53 Å²	53	33.6 Å²	33.6	28%	0.283	16%	0.155	S	C	.	.	S	Bend	trans	-106.5	-8	162	-73.8	-9	0	0	0	112.4	S255 Y258 H259 Y316	S255-D293 VanDerWaalsContact CB-O 3.24Å; S255-D293 WeakPolarHBondContact CB-O 3.42Å; S255-D293 WeakPolarHBondContact O-CB 3.35Å; S255-D293 PolarHBondContact OG-O 3.03Å; Y258-D293 VanDerWaalsContact CB-OD2 3.29Å; Y258-D293 WeakPolarHBondContact CB-OD2 3.19Å; Y258-D293 HydrophobicContact CD1-CB 4.32Å; H259-D293 PolarHBondContact NE2-N 2.72Å; H259-D293 VanDerWaalsContact NE2-N 3.18Å; D293-Y316 HydrophobicContact CB-CD2 4.17Å; D293-Y316 HydrophobicContact CB-CG 4.48Å; D293-Y316 VanDerWaalsContact O-CB 3.25Å; D293-Y316 WeakPolarHBondContact O-CB 3.33Å; D293-Y316 WeakPolarHBondContact O-CD1 3.14Å; D293-Y316 PolarHBondContact O-N 2.91Å
294	S	98.3	Very high	96.5	Very high	0 Å²	0	29.9 Å²	29.9	0%	0	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-147.4	131.7	174.1	62.2	0	0	0	0	112.3	S255 H259 Y286 T292 T314	S255-S294 PolarHBondContact O-OG 2.81Å; H259-S294 PolarHBondContact CD2-OG 2.93Å; H259-S294 PolarHBondContact NE2-N 3.19Å; H259-S294 VanDerWaalsContact NE2-N 3.19Å; H259-S294 PolarHBondContact NE2-OG 3.1Å; Y286-S294 WeakPolarHBondContact CD1-O 3.2Å; Y286-S294 WeakPolarHBondContact CE1-O 3.48Å; Y286-S294 WeakPolarHBondContact CE1-OG 3.44Å; Y286-S294 PolarHBondContact OH-OG 3.05Å; T292-S294 PolarHBondContact OG1-N 3.29Å; T292-S294 PolarHBondContact OG1-O 2.99Å; S294-T314 CarbonylContact C-O 3.42Å; S294-T314 WeakPolarHBondContact CA-O 3.41Å
295	N	98.4	Very high	96.4	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	18%	0.175	C	C	.	.			trans	-128.7	62.9	179.4	-172.8	28.9	0	0	0	111.5	R282 Y288 T292 N297 G298 D311 G312 I313 T314	R282-N295 PolarHBondContact O-ND2 3.31Å; Y288-N295 PolarHBondContact OH-OD1 3.46Å; Y288-N295 VanDerWaalsContact OH-OD1 3.11Å; T292-N295 HydrophobicContact CG2-CB 4.49Å; N295-N297 PolarHBondContact O-N 2.9Å; N295-G298 VanDerWaalsContact ND2-CA 3.3Å; N295-G298 WeakPolarHBondContact ND2-CA 3.34Å; N295-G298 PolarHBondContact O-N 3.01Å; N295-G298 PolarHBondContact OD1-N 3.47Å; N295-D311 PolarHBondContact ND2-O 3.47Å; N295-G312 WeakPolarHBondContact CB-O 3.22Å; N295-G312 PolarHBondContact ND2-O 3.33Å; N295-I313 VanDerWaalsContact O-CA 3.31Å; N295-I313 WeakPolarHBondContact O-CA 3.38Å; N295-T314 WeakPolarHBondContact CB-OG1 3.44Å; N295-T314 PolarHBondContact N-O 3.48Å; N295-T314 PolarHBondContact N-OG1 3.12Å; N295-T314 PolarHBondContact O-N 3.3Å
296	L	98.6	Very high	96.1	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-17.5	-174.4	-58	-177.8	0	0	0	113.6	Q169 R171 I215 L217 Y286 W315 V328 M330	Q169-L296 PolarHBondContact NE2-O 2.81Å; R171-L296 WeakPolarHBondContact CG-O 3.23Å; R171-L296 PolarHBondContact NH1-O 2.84Å; I215-L296 HydrophobicContact CD1-CD1 4.1Å; I215-L296 HydrophobicContact CG2-CD1 3.77Å; L217-L296 HydrophobicContact CD2-CD2 4.01Å; Y286-L296 HydrophobicContact CE2-CB 4.09Å; L296-W315 HydrophobicContact CD1-CE3 4.39Å; L296-W315 HydrophobicContact CD1-CZ3 4.19Å; L296-W315 HydrophobicContact CD2-CE3 3.98Å; L296-W315 HydrophobicContact CG-CE3 4.42Å; L296-V328 HydrophobicContact CB-CG1 4.2Å; L296-V328 HydrophobicContact CD1-CG1 4Å; L296-V328 HydrophobicContact CD2-CG1 4Å; L296-V328 HydrophobicContact CD2-CG2 4.04Å; L296-V328 HydrophobicContact CG-CG1 4.28Å; L296-M330 HydrophobicContact CD1-CG 4.15Å; L296-M330 HydrophobicContact CD1-SD 3.91Å
297	N	98.6	Very high	95.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.6	10.1	176.8	-69.7	-13	0	0	0	113.4	Q169 R171 F178 G285 Y286 N295	Q169-N297 PolarHBondContact NE2-OD1 2.82Å; R171-N297 VanDerWaalsContact NH1-CA 3.31Å; F178-N297 HydrophobicContact CB-CB 4.48Å; F178-N297 WeakPolarHBondContact CB-O 3.41Å; F178-N297 HydrophobicContact CD1-CB 3.95Å; G285-N297 WeakPolarHBondContact O-CB 3.31Å; G285-N297 PolarHBondContact O-ND2 3.32Å; Y286-N297 HydrophobicContact CD2-CB 4.28Å; N295-N297 PolarHBondContact O-N 2.9Å
298	G	97.3	Very high	95	Very high	1 Å²	1	53.3 Å²	53.3	1%	0.01	26%	0.256	C	S	.	.	S	Bend	trans	-70.5	-173.3	177.7	0	0	0	0	0	115.4	R171 N295 D311 I313	R171-G298 VanDerWaalsContact CZ-O 3.29Å; R171-G298 PolarHBondContact NH1-O 2.92Å; R171-G298 PolarHBondContact NH2-O 3.03Å; N295-G298 VanDerWaalsContact ND2-CA 3.3Å; N295-G298 WeakPolarHBondContact ND2-CA 3.34Å; N295-G298 PolarHBondContact O-N 3.01Å; N295-G298 PolarHBondContact OD1-N 3.47Å; G298-D311 CarbonylContact C-O 3.39Å; G298-D311 WeakPolarHBondContact CA-O 3.41Å; G298-I313 WeakPolarHBondContact O-CG1 3.46Å
299	I	96.3	Very high	94.5	Very high	63 Å²	63	54.5 Å²	54.5	32%	0.323	27%	0.268	S	S	.	.	B	Isolated β-bridge	trans	-73	130.1	175.8	-62.3	-174.7	0	0	0	110.4	K283 Y301 D311 G312 I313 S324	K283-I299 HydrophobicContact CB-CD1 3.9Å; K283-I299 HydrophobicContact CB-CG1 3.85Å; K283-I299 HydrophobicContact CG-CD1 3.91Å; K283-I299 HydrophobicContact CG-CG1 4.39Å; I299-Y301 HydrophobicContact CB-CE2 4.06Å; I299-Y301 HydrophobicContact CG2-CD1 4.28Å; I299-Y301 HydrophobicContact CG2-CD2 4.36Å; I299-Y301 HydrophobicContact CG2-CE1 3.91Å; I299-Y301 HydrophobicContact CG2-CE2 4.02Å; I299-Y301 PolarHBondContact O-N 3.3Å; I299-D311 WeakPolarHBondContact CD1-OD2 3.39Å; I299-D311 PolarHBondContact N-O 3.33Å; I299-G312 CarbonylContact O-C 3.57Å; I299-G312 VanDerWaalsContact O-CA 3.3Å; I299-G312 WeakPolarHBondContact O-CA 3.31Å; I299-I313 PolarHBondContact O-N 3.03Å; I299-S324 PolarHBondContact O-OG 2.93Å
300	L	95.6	Very high	94.2	Very high	30 Å²	30	56.2 Å²	56.2	16%	0.157	28%	0.279	C	S	.	.			trans	-73.7	111	171.1	-174.6	74.1	0	0	0	109.2	G174 W220 I313 L325	G174-L300 VanDerWaalsContact CA-CD2 3.44Å; W220-L300 HydrophobicContact CZ2-CD1 4.23Å; L300-I313 HydrophobicContact CB-CD1 3.93Å; L300-I313 HydrophobicContact CD1-CD1 3.61Å; L300-I313 HydrophobicContact CG-CD1 4.4Å; L300-L325 WeakPolarHBondContact CD1-O 3.44Å
301	Y	95.5	Very high	94.3	Very high	33 Å²	33	54 Å²	54	13%	0.129	26%	0.263	C	S	.	.			trans	-98.6	126.7	167.6	-66.4	-68.3	0	0	0	108.7	W220 I299 H306 K308 D311 S324	W220-Y301 WeakPolarHBondContact CZ2-O 3.43Å; I299-Y301 HydrophobicContact CB-CE2 4.06Å; I299-Y301 HydrophobicContact CG2-CD1 4.28Å; I299-Y301 HydrophobicContact CG2-CD2 4.36Å; I299-Y301 HydrophobicContact CG2-CE1 3.91Å; I299-Y301 HydrophobicContact CG2-CE2 4.02Å; I299-Y301 PolarHBondContact O-N 3.3Å; Y301-H306 HydrophobicContact CD2-CB 4.46Å; Y301-H306 AromaticContact CD2-CD2 3.35Å; Y301-H306 WeakPolarHBondContact CD2-CD2 3.34Å; Y301-H306 AromaticContact CD2-CE1 3.62Å; Y301-H306 AromaticContact CD2-CG 3.64Å; Y301-H306 AromaticContact CD2-ND1 3.8Å; Y301-H306 AromaticContact CD2-NE2 3.33Å; Y301-H306 VanDerWaalsContact CD2-NE2 3.33Å; Y301-H306 WeakPolarHBondContact CD2-NE2 3.33Å; Y301-H306 AromaticContact CE2-CE1 3.78Å; Y301-H306 AromaticContact CE2-ND1 3.95Å; Y301-H306 AromaticContact CE2-NE2 3.95Å; Y301-H306 HydrophobicContact CG-CB 4.27Å; Y301-H306 AromaticContact CG-CD2 3.74Å; Y301-H306 AromaticContact CG-CG 3.91Å; Y301-K308 HydrophobicContact CD1-CD 3.81Å; Y301-K308 HydrophobicContact CE1-CB 3.93Å; Y301-K308 HydrophobicContact CE1-CD 3.51Å; Y301-K308 HydrophobicContact CE1-CG 4.33Å; Y301-D311 WeakPolarHBondContact CE2-OD1 3.44Å; Y301-D311 PolarHBondContact OH-OD1 3.01Å; Y301-S324 PolarHBondContact N-OG 2.97Å
302	R	93.5	Very high	94.5	Very high	148 Å²	148	53.2 Å²	53.2	56%	0.558	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	145.4	177.7	-65.2	-176.5	179	-91.7	-6	110.1	W220 G304	W220-R302 HydrophobicContact CH2-CB 4.02Å; W220-R302 HydrophobicContact CH2-CG 3.93Å; W220-R302 HydrophobicContact CZ2-CB 4.36Å; W220-R302 HydrophobicContact CZ2-CG 4.48Å; W220-R302 HydrophobicContact CZ3-CB 4.5Å; R302-G304 VanDerWaalsContact C-N 3.34Å
303	Y	93.4	Very high	94.6	Very high	187 Å²	187	53 Å²	53	73%	0.733	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.3	17.8	176.6	-40	-66.3	0	0	0	115.9	W220 E305	W220-Y303 VanDerWaalsContact CE2-N 3.33Å; Y303-E305 PolarHBondContact O-N 2.88Å
304	G	92.9	Very high	94.6	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.243	C	C	.	.	S	Bend	trans	81.7	-91	167.1	0	0	0	0	0	112	W220 R302 H306 Y323 S324	W220-G304 VanDerWaalsContact NE1-N 3.12Å; R302-G304 VanDerWaalsContact C-N 3.34Å; G304-H306 PolarHBondContact O-CD2 3.36Å; G304-H306 VanDerWaalsContact O-CD2 3.26Å; G304-Y323 VanDerWaalsContact CA-CZ 3.49Å; G304-Y323 WeakPolarHBondContact O-CA 3.39Å; G304-S324 WeakPolarHBondContact CA-O 3.39Å; G304-S324 PolarHBondContact O-N 3.47Å
305	E	95.1	Very high	94.6	Very high	164 Å²	164	50.6 Å²	50.6	77%	0.766	24%	0.243	S	C	*	.	B	Isolated β-bridge	trans	-61.8	133.3	-175.8	-67	-173.3	173.1	0	0	112.3	Y303 N322 Y323	Y303-E305 PolarHBondContact O-N 2.88Å; E305-N322 WeakPolarHBondContact CA-O 3.49Å; E305-Y323 HydrophobicContact CG-CD2 3.82Å; E305-Y323 HydrophobicContact CG-CE2 4.31Å
306	H	92.7	Very high	94.6	Very high	17 Å²	17	53.1 Å²	53.1	8%	0.079	25%	0.253	C	S	.	.			trans	-151.9	151.9	176.8	63.7	77.1	0	0	0	112.9	Y301 G304 G309 N322	Y301-H306 HydrophobicContact CD2-CB 4.46Å; Y301-H306 AromaticContact CD2-CD2 3.35Å; Y301-H306 WeakPolarHBondContact CD2-CD2 3.34Å; Y301-H306 AromaticContact CD2-CE1 3.62Å; Y301-H306 AromaticContact CD2-CG 3.64Å; Y301-H306 AromaticContact CD2-ND1 3.8Å; Y301-H306 AromaticContact CD2-NE2 3.33Å; Y301-H306 VanDerWaalsContact CD2-NE2 3.33Å; Y301-H306 WeakPolarHBondContact CD2-NE2 3.33Å; Y301-H306 AromaticContact CE2-CE1 3.78Å; Y301-H306 AromaticContact CE2-ND1 3.95Å; Y301-H306 AromaticContact CE2-NE2 3.95Å; Y301-H306 HydrophobicContact CG-CB 4.27Å; Y301-H306 AromaticContact CG-CD2 3.74Å; Y301-H306 AromaticContact CG-CG 3.91Å; G304-H306 PolarHBondContact O-CD2 3.36Å; G304-H306 VanDerWaalsContact O-CD2 3.26Å; H306-G309 PolarHBondContact CE1-O 2.9Å; H306-G309 PolarHBondContact ND1-O 3.46Å; H306-N322 PolarHBondContact N-O 2.88Å
307	T	90.6	Very high	94.6	Very high	146 Å²	146	55.8 Å²	55.8	90%	0.896	28%	0.276	S	S	*	.			trans	-112.7	8.3	173.6	55.1	0	0	0	0	112.9	G309	T307-G309 VanDerWaalsContact C-N 3.34Å; T307-G309 PolarHBondContact O-N 3.46Å
308	K	83.8	Confident	94.5	Very high	166 Å²	166	57.5 Å²	57.5	72%	0.722	28%	0.282	S	S	*	.	S	Bend	trans	-71.6	-25.6	-172.1	-66.9	-179.2	178.4	179.6	0	114.2	Y301	Y301-K308 HydrophobicContact CD1-CD 3.81Å; Y301-K308 HydrophobicContact CE1-CB 3.93Å; Y301-K308 HydrophobicContact CE1-CD 3.51Å; Y301-K308 HydrophobicContact CE1-CG 4.33Å
309	G	86.1	Confident	94.5	Very high	24 Å²	24	60.4 Å²	60.4	25%	0.247	30%	0.295	C	S	.	.			trans	174.3	176.7	-172.7	0	0	0	0	0	111	H306 T307	H306-G309 PolarHBondContact CE1-O 2.9Å; H306-G309 PolarHBondContact ND1-O 3.46Å; T307-G309 VanDerWaalsContact C-N 3.34Å; T307-G309 PolarHBondContact O-N 3.46Å
310	T	90.6	Very high	94.5	Very high	64 Å²	64	58.3 Å²	58.3	39%	0.393	29%	0.289	S	S	.	.	S	Bend	trans	-104.9	20.5	175.8	62.4	0	0	0	0	111.6	R282	R282-T310 WeakPolarHBondContact CD-O 3.35Å; R282-T310 PolarHBondContact NH1-O 3.42Å
311	D	96.3	Very high	94.5	Very high	16 Å²	16	59.3 Å²	59.3	9%	0.086	30%	0.297	C	S	.	.			trans	-104.9	11.2	-171.3	54.1	-9	0	0	0	113	K283 N295 G298 I299 Y301	K283-D311 HydrophobicContact CB-CB 4.05Å; K283-D311 HydrophobicContact CG-CB 3.73Å; K283-D311 VanDerWaalsContact CG-OD2 3.31Å; K283-D311 WeakPolarHBondContact CG-OD2 3.38Å; N295-D311 PolarHBondContact ND2-O 3.47Å; G298-D311 CarbonylContact C-O 3.39Å; G298-D311 WeakPolarHBondContact CA-O 3.41Å; I299-D311 WeakPolarHBondContact CD1-OD2 3.39Å; I299-D311 PolarHBondContact N-O 3.33Å; Y301-D311 WeakPolarHBondContact CE2-OD1 3.44Å; Y301-D311 PolarHBondContact OH-OD1 3.01Å
312	G	97	Very high	94.5	Very high	0 Å²	0	62 Å²	62	0%	0	31%	0.314	C	S	.	.	B	Isolated β-bridge	trans	-65.1	171.1	176.7	0	0	0	0	0	114.2	N295 I299 T314	N295-G312 WeakPolarHBondContact CB-O 3.22Å; N295-G312 PolarHBondContact ND2-O 3.33Å; I299-G312 CarbonylContact O-C 3.57Å; I299-G312 VanDerWaalsContact O-CA 3.3Å; I299-G312 WeakPolarHBondContact O-CA 3.31Å; G312-T314 PolarHBondContact O-N 2.93Å
313	I	98.1	Very high	94.7	Very high	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.289	C	S	.	.	S	Bend	trans	-76.5	85.8	169.4	-55.8	-179	0	0	0	108.8	R171 N295 G298 I299 L300 S324 L325 V328	R171-I313 HydrophobicContact CB-CD1 3.98Å; R171-I313 HydrophobicContact CG-CD1 4.08Å; N295-I313 VanDerWaalsContact O-CA 3.31Å; N295-I313 WeakPolarHBondContact O-CA 3.38Å; G298-I313 WeakPolarHBondContact O-CG1 3.46Å; I299-I313 PolarHBondContact O-N 3.03Å; L300-I313 HydrophobicContact CB-CD1 3.93Å; L300-I313 HydrophobicContact CD1-CD1 3.61Å; L300-I313 HydrophobicContact CG-CD1 4.4Å; I313-S324 PolarHBondContact N-OG 3.37Å; I313-S324 CarbonylContact O-C 3.55Å; I313-S324 WeakPolarHBondContact O-CA 3.4Å; I313-L325 HydrophobicContact CG2-CB 4.09Å; I313-L325 WeakPolarHBondContact O-CB 3.42Å; I313-L325 WeakPolarHBondContact O-CG 3.5Å; I313-L325 PolarHBondContact O-N 3.46Å; I313-V328 HydrophobicContact CG2-CG2 3.57Å
314	T	98.1	Very high	94.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	25%	0.254	C	S	.	.			trans	-109.1	150.1	-165.8	54.7	0	0	0	0	113.1	S294 N295 G312 Y316 P321 Y323	S294-T314 CarbonylContact C-O 3.42Å; S294-T314 WeakPolarHBondContact CA-O 3.41Å; N295-T314 WeakPolarHBondContact CB-OG1 3.44Å; N295-T314 PolarHBondContact N-O 3.48Å; N295-T314 PolarHBondContact N-OG1 3.12Å; N295-T314 PolarHBondContact O-N 3.3Å; G312-T314 PolarHBondContact O-N 2.93Å; T314-Y316 HydrophobicContact CG2-CE1 4.47Å; T314-P321 WeakPolarHBondContact CG2-O 3.44Å; T314-Y323 VanDerWaalsContact CG2-O 3.28Å; T314-Y323 WeakPolarHBondContact CG2-O 3.35Å
315	W	98.6	Very high	95.2	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.008	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-139.6	98.4	168.6	-170.9	-91.6	0	0	0	108.2	I215 L217 A227 A252 G253 L256 L296 A317 W318 H319 L325	I215-W315 HydrophobicContact CD1-CH2 3.96Å; I215-W315 HydrophobicContact CD1-CZ3 3.97Å; L217-W315 HydrophobicContact CD1-CB 4.02Å; L217-W315 HydrophobicContact CD1-CD2 3.81Å; L217-W315 HydrophobicContact CD1-CE3 4.41Å; L217-W315 HydrophobicContact CD1-CG 3.63Å; A227-W315 HydrophobicContact CB-CH2 3.93Å; A227-W315 HydrophobicContact CB-CZ2 3.61Å; A252-W315 VanDerWaalsContact O-CD1 3.31Å; A252-W315 PolarHBondContact O-NE1 2.89Å; G253-W315 VanDerWaalsContact O-CE2 3.27Å; G253-W315 WeakPolarHBondContact O-CZ2 3.44Å; G253-W315 PolarHBondContact O-NE1 3.39Å; L256-W315 HydrophobicContact CB-CH2 3.94Å; L256-W315 HydrophobicContact CB-CZ3 4.36Å; L296-W315 HydrophobicContact CD1-CE3 4.39Å; L296-W315 HydrophobicContact CD1-CZ3 4.19Å; L296-W315 HydrophobicContact CD2-CE3 3.98Å; L296-W315 HydrophobicContact CG-CE3 4.42Å; W315-A317 VanDerWaalsContact C-N 3.34Å; W315-A317 PolarHBondContact O-N 3.42Å; W315-W318 PolarHBondContact O-N 2.87Å; W315-W318 VanDerWaalsContact O-N 3.13Å; W315-H319 PolarHBondContact O-N 2.65Å; W315-L325 HydrophobicContact CB-CD1 3.98Å
316	Y	97.9	Very high	95.3	Very high	53 Å²	53	41.2 Å²	41.2	21%	0.208	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-36.3	-162.1	-74.7	13	0	0	0	113.7	S255 R282 T292 D293 T314 W318 G320 P321	S255-Y316 PolarHBondContact OG-N 2.96Å; R282-Y316 PolarHBondContact NH1-OH 3.35Å; T292-Y316 WeakPolarHBondContact O-CE2 3.41Å; T292-Y316 VanDerWaalsContact O-CZ 3.22Å; T292-Y316 PolarHBondContact O-OH 2.96Å; T292-Y316 VanDerWaalsContact O-OH 3.11Å; D293-Y316 HydrophobicContact CB-CD2 4.17Å; D293-Y316 HydrophobicContact CB-CG 4.48Å; D293-Y316 VanDerWaalsContact O-CB 3.25Å; D293-Y316 WeakPolarHBondContact O-CB 3.33Å; D293-Y316 WeakPolarHBondContact O-CD1 3.14Å; D293-Y316 PolarHBondContact O-N 2.91Å; T314-Y316 HydrophobicContact CG2-CE1 4.47Å; Y316-W318 PolarHBondContact O-N 3.45Å; Y316-G320 WeakPolarHBondContact O-CA 3.34Å; Y316-G320 PolarHBondContact O-N 3.36Å; Y316-P321 HydrophobicContact CD1-CB 4.1Å; Y316-P321 HydrophobicContact CE1-CB 3.56Å; Y316-P321 HydrophobicContact CE2-CB 4.11Å
317	A	98.3	Very high	95.5	Very high	57 Å²	57	44.6 Å²	44.6	47%	0.471	24%	0.241	S	C	.	.	H	α-helix	trans	-65.2	-13.4	-178.3	0	0	0	0	0	113.1	S255 W315	S255-A317 WeakPolarHBondContact OG-CB 3.46Å; S255-A317 PolarHBondContact OG-N 3.01Å; W315-A317 VanDerWaalsContact C-N 3.34Å; W315-A317 PolarHBondContact O-N 3.42Å
318	W	97.9	Very high	95.9	Very high	36 Å²	36	37.7 Å²	37.7	14%	0.136	20%	0.199	C	C	.	.	H	α-helix	trans	-104.9	-65.6	175.3	-176.2	15.1	0	0	0	112.8	L217 D219 Q223 R225 W315 Y316 L325	L217-W318 HydrophobicContact CB-CE3 4.23Å; L217-W318 HydrophobicContact CB-CZ3 3.77Å; L217-W318 HydrophobicContact CD1-CE3 4.28Å; D219-W318 HydrophobicContact CB-CH2 3.51Å; D219-W318 HydrophobicContact CB-CZ2 3.84Å; D219-W318 HydrophobicContact CB-CZ3 4.24Å; D219-W318 WeakPolarHBondContact OD2-CZ2 3.28Å; Q223-W318 HydrophobicContact CB-CH2 4.43Å; Q223-W318 HydrophobicContact CB-CZ2 4Å; Q223-W318 WeakPolarHBondContact O-CH2 3.41Å; R225-W318 HydrophobicContact CB-CE3 4.38Å; R225-W318 HydrophobicContact CB-CZ3 4.36Å; R225-W318 HydrophobicContact CG-CD2 4.21Å; R225-W318 HydrophobicContact CG-CE3 4.37Å; R225-W318 HydrophobicContact CG-CH2 4.23Å; R225-W318 HydrophobicContact CG-CZ2 4.08Å; R225-W318 HydrophobicContact CG-CZ3 4.38Å; R225-W318 VanDerWaalsContact CZ-CD1 3.44Å; W315-W318 PolarHBondContact O-N 2.87Å; W315-W318 VanDerWaalsContact O-N 3.13Å; Y316-W318 PolarHBondContact O-N 3.45Å; W318-L325 HydrophobicContact CE3-CD2 3.74Å; W318-L325 HydrophobicContact CH2-CD2 4.43Å; W318-L325 HydrophobicContact CZ3-CD2 3.54Å
319	H	97.1	Very high	96.6	Very high	61 Å²	61	31.7 Å²	31.7	28%	0.282	17%	0.173	S	C	.	.	H	α-helix	trans	-114.3	9	-172.8	-75.9	-62.4	0	0	0	113.6	D219 W315 Y323	D219-H319 WeakPolarHBondContact CB-NE2 3.46Å; D219-H319 IonicContact OD2-CE1 3.74Å; D219-H319 IonicContact OD2-NE2 3.69Å; D219-H319 PolarHBondContact OD2-NE2 3.21Å; D219-H319 VanDerWaalsContact OD2-NE2 3.09Å; W315-H319 PolarHBondContact O-N 2.65Å; H319-Y323 VanDerWaalsContact CB-CB 3.5Å; H319-Y323 HydrophobicContact CB-CD1 3.8Å; H319-Y323 HydrophobicContact CB-CD2 4.15Å; H319-Y323 HydrophobicContact CB-CG 3.56Å; H319-Y323 AromaticContact CD2-CD1 3.79Å; H319-Y323 AromaticContact CD2-CE1 3.76Å; H319-Y323 AromaticContact CG-CD1 3.89Å; H319-Y323 AromaticContact CG-CG 3.86Å
320	G	96	Very high	97.2	Very high	19 Å²	19	30.5 Å²	30.5	20%	0.196	16%	0.161	C	C	.	.	B	Isolated β-bridge	trans	69.8	-165.4	-178.6	0	0	0	0	0	114.1	Y316	Y316-G320 WeakPolarHBondContact O-CA 3.34Å; Y316-G320 PolarHBondContact O-N 3.36Å
321	P	95.3	Very high	97.6	Very high	51 Å²	51	27.5 Å²	27.5	33%	0.331	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-14.8	-171.2	31.6	-36.4	0	0	0	115.6	T314 Y316	T314-P321 WeakPolarHBondContact CG2-O 3.44Å; Y316-P321 HydrophobicContact CD1-CB 4.1Å; Y316-P321 HydrophobicContact CE1-CB 3.56Å; Y316-P321 HydrophobicContact CE2-CB 4.11Å
322	N	95.5	Very high	97.7	Very high	89 Å²	89	26.8 Å²	26.8	48%	0.476	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.7	19.3	-169.6	-62.2	-30.6	0	0	0	113.1	E305 H306	E305-N322 WeakPolarHBondContact CA-O 3.49Å; H306-N322 PolarHBondContact N-O 2.88Å
323	Y	97.4	Very high	97.7	Very high	10 Å²	10	27.7 Å²	27.7	4%	0.039	14%	0.143	C	C	.	.	B	Isolated β-bridge	trans	-124.8	124.1	178.3	-169	-75.2	0	0	0	110.2	D219 W220 E221 G304 E305 T314 H319 L325	D219-Y323 HydrophobicContact CB-CE1 4.04Å; D219-Y323 WeakPolarHBondContact CB-OH 3.45Å; W220-Y323 AromaticContact CD1-CE1 3.9Å; W220-Y323 AromaticContact CD1-CZ 3.86Å; W220-Y323 PolarHBondContact N-OH 3.43Å; E221-Y323 PolarHBondContact OE2-OH 2.57Å; G304-Y323 VanDerWaalsContact CA-CZ 3.49Å; G304-Y323 WeakPolarHBondContact O-CA 3.39Å; E305-Y323 HydrophobicContact CG-CD2 3.82Å; E305-Y323 HydrophobicContact CG-CE2 4.31Å; T314-Y323 VanDerWaalsContact CG2-O 3.28Å; T314-Y323 WeakPolarHBondContact CG2-O 3.35Å; H319-Y323 VanDerWaalsContact CB-CB 3.5Å; H319-Y323 HydrophobicContact CB-CD1 3.8Å; H319-Y323 HydrophobicContact CB-CD2 4.15Å; H319-Y323 HydrophobicContact CB-CG 3.56Å; H319-Y323 AromaticContact CD2-CD1 3.79Å; H319-Y323 AromaticContact CD2-CE1 3.76Å; H319-Y323 AromaticContact CG-CD1 3.89Å; H319-Y323 AromaticContact CG-CG 3.86Å; Y323-L325 HydrophobicContact CD1-CD2 4.32Å; Y323-L325 HydrophobicContact CE1-CD2 4.26Å
324	S	97.8	Very high	97.6	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.			trans	-97.7	115.3	176.2	-165.9	0	0	0	0	110.2	W220 I299 Y301 G304 I313	W220-S324 PolarHBondContact NE1-O 3.26Å; I299-S324 PolarHBondContact O-OG 2.93Å; Y301-S324 PolarHBondContact N-OG 2.97Å; G304-S324 WeakPolarHBondContact CA-O 3.39Å; G304-S324 PolarHBondContact O-N 3.47Å; I313-S324 PolarHBondContact N-OG 3.37Å; I313-S324 CarbonylContact O-C 3.55Å; I313-S324 WeakPolarHBondContact O-CA 3.4Å
325	L	98.3	Very high	97.3	Very high	2 Å²	2	31.9 Å²	31.9	1%	0.01	17%	0.173	C	C	.	.			trans	-59.9	147.4	-179.9	-66	171.8	0	0	0	111.9	L217 L300 I313 W315 W318 Y323 V328	L217-L325 HydrophobicContact CB-CD1 4.16Å; L217-L325 HydrophobicContact CD1-CD1 4.29Å; L217-L325 HydrophobicContact CD2-CD1 3.77Å; L217-L325 HydrophobicContact CG-CD1 4.29Å; L300-L325 WeakPolarHBondContact CD1-O 3.44Å; I313-L325 HydrophobicContact CG2-CB 4.09Å; I313-L325 WeakPolarHBondContact O-CB 3.42Å; I313-L325 WeakPolarHBondContact O-CG 3.5Å; I313-L325 PolarHBondContact O-N 3.46Å; W315-L325 HydrophobicContact CB-CD1 3.98Å; W318-L325 HydrophobicContact CE3-CD2 3.74Å; W318-L325 HydrophobicContact CH2-CD2 4.43Å; W318-L325 HydrophobicContact CZ3-CD2 3.54Å; Y323-L325 HydrophobicContact CD1-CD2 4.32Å; Y323-L325 HydrophobicContact CE1-CD2 4.26Å; L325-V328 HydrophobicContact CB-CG2 4.2Å; L325-V328 HydrophobicContact CD1-CG2 4.01Å
326	K	97.9	Very high	96.9	Very high	51 Å²	51	35.2 Å²	35.2	22%	0.222	21%	0.209	C	C	.	.	S	Bend	trans	-75.9	-43.5	-179.8	-178.3	-174.1	170.7	-163.4	0	111.5	E218 D219 W220	E218-K326 WeakPolarHBondContact O-CB 3.2Å; E218-K326 PolarHBondContact O-N 3.16Å; E218-K326 WeakPolarHBondContact OE1-CE 3.44Å; E218-K326 IonicContact OE1-NZ 3.09Å; E218-K326 PolarHBondContact OE1-NZ 2.94Å; D219-K326 WeakPolarHBondContact O-CB 3.49Å; D219-K326 VanDerWaalsContact O-CD 3.28Å; D219-K326 WeakPolarHBondContact O-CD 3.22Å; W220-K326 HydrophobicContact CD2-CB 3.78Å; W220-K326 HydrophobicContact CD2-CD 4.23Å; W220-K326 HydrophobicContact CD2-CG 3.95Å; W220-K326 HydrophobicContact CE3-CB 4.31Å; W220-K326 HydrophobicContact CE3-CD 4.05Å; W220-K326 HydrophobicContact CE3-CG 3.95Å; W220-K326 HydrophobicContact CG-CB 4.02Å; W220-K326 HydrophobicContact CH2-CG 4.1Å; W220-K326 HydrophobicContact CZ2-CB 4.05Å; W220-K326 HydrophobicContact CZ2-CG 4.11Å; W220-K326 HydrophobicContact CZ3-CD 4.44Å; W220-K326 HydrophobicContact CZ3-CG 4.04Å
327	R	97.9	Very high	96.5	Very high	89 Å²	89	34.6 Å²	34.6	34%	0.336	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	147	177.6	-48.1	-167.1	176.8	171.1	-2.1	112.6	R171 K172 E218	R171-R327 CarbonylContact O-C 3.56Å; R171-R327 WeakPolarHBondContact O-CA 3.35Å; K172-R327 HydrophobicContact CB-CG 4.49Å; K172-R327 VanDerWaalsContact CE-CZ 3.46Å; K172-R327 HydrophobicContact CG-CG 4.38Å; E218-R327 HydrophobicContact CB-CB 3.87Å; E218-R327 HydrophobicContact CB-CG 4.25Å; E218-R327 PolarHBondContact N-O 3.4Å; E218-R327 PolarHBondContact O-N 3.09Å; E218-R327 VanDerWaalsContact O-N 3.09Å; E218-R327 VanDerWaalsContact OE2-CD 3.24Å; E218-R327 WeakPolarHBondContact OE2-CD 3.48Å; E218-R327 IonicContact OE2-NE 2.74Å; E218-R327 IonicContact OE2-NH1 3.72Å
328	V	98.3	Very high	95.9	Very high	1 Å²	1	40 Å²	40	1%	0.006	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	136.7	174.2	178.6	0	0	0	0	108.6	R170 R171 I215 E216 L217 L296 I313 L325	R170-V328 CarbonylContact C-O 3.58Å; R170-V328 WeakPolarHBondContact CA-O 3.37Å; R171-V328 HydrophobicContact CB-CB 4.16Å; R171-V328 HydrophobicContact CG-CB 4.11Å; R171-V328 PolarHBondContact N-O 2.85Å; R171-V328 PolarHBondContact O-N 3Å; I215-V328 HydrophobicContact CG2-CG1 4.31Å; E216-V328 CarbonylContact O-C 3.51Å; E216-V328 VanDerWaalsContact O-CA 3.27Å; E216-V328 WeakPolarHBondContact O-CA 3.39Å; L217-V328 HydrophobicContact CD2-CB 4.43Å; L217-V328 HydrophobicContact CD2-CG1 4.01Å; L217-V328 HydrophobicContact CD2-CG2 3.9Å; L296-V328 HydrophobicContact CB-CG1 4.2Å; L296-V328 HydrophobicContact CD1-CG1 4Å; L296-V328 HydrophobicContact CD2-CG1 4Å; L296-V328 HydrophobicContact CD2-CG2 4.04Å; L296-V328 HydrophobicContact CG-CG1 4.28Å; I313-V328 HydrophobicContact CG2-CG2 3.57Å; L325-V328 HydrophobicContact CB-CG2 4.2Å; L325-V328 HydrophobicContact CD1-CG2 4.01Å
329	E	98.6	Very high	94.9	Very high	39 Å²	39	43.7 Å²	43.7	18%	0.182	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	132.4	163.9	-64.6	-166.4	157.2	0	0	109.8	Q169 R170 I215 E216	Q169-E329 WeakPolarHBondContact O-CA 3.43Å; R170-E329 HydrophobicContact CG-CG 4.21Å; R170-E329 IonicContact CZ-OE1 3.98Å; R170-E329 VanDerWaalsContact CZ-OE1 3.28Å; R170-E329 IonicContact NE-OE1 3.28Å; R170-E329 PolarHBondContact NE-OE1 2.91Å; R170-E329 IonicContact NH2-OE1 2.81Å; R170-E329 PolarHBondContact NH2-OE1 2.79Å; I215-E329 CarbonylContact C-O 3.57Å; I215-E329 WeakPolarHBondContact CA-O 3.46Å; E216-E329 PolarHBondContact N-O 3.25Å; E216-E329 PolarHBondContact O-N 2.94Å
330	M	98.9	Very high	94.8	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	130.6	168.1	-55.5	176.7	67.8	0	0	108.5	I168 Q169 W197 L213 I215 W287 L296	I168-M330 HydrophobicContact CD1-CB 4.17Å; I168-M330 HydrophobicContact CG1-CB 3.75Å; I168-M330 VanDerWaalsContact CG1-O 3.3Å; I168-M330 WeakPolarHBondContact CG1-O 3.29Å; I168-M330 PolarHBondContact N-O 3.15Å; Q169-M330 HydrophobicContact CB-CB 3.9Å; Q169-M330 HydrophobicContact CB-CG 4.03Å; Q169-M330 HydrophobicContact CB-SD 4.02Å; Q169-M330 HydrophobicContact CG-SD 4.37Å; Q169-M330 PolarHBondContact N-O 3.07Å; Q169-M330 PolarHBondContact O-N 3.44Å; W197-M330 HydrophobicContact CZ3-SD 4.37Å; L213-M330 HydrophobicContact CD1-CB 4.26Å; L213-M330 HydrophobicContact CD1-CE 4.11Å; L213-M330 HydrophobicContact CD2-CE 4.16Å; I215-M330 HydrophobicContact CD1-CE 4.27Å; I215-M330 HydrophobicContact CG1-CE 4.47Å; I215-M330 HydrophobicContact CG1-CG 4.26Å; I215-M330 HydrophobicContact CG2-CG 4.33Å; W287-M330 HydrophobicContact CZ3-CE 4.31Å; L296-M330 HydrophobicContact CD1-CG 4.15Å; L296-M330 HydrophobicContact CD1-SD 3.91Å
331	K	98.8	Very high	94.7	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	147.5	-178.3	57.5	-165.2	165	-163.7	0	112.2	D157 W165 T166 L167 R214 E216	D157-K331 IonicContact OD2-NZ 2.85Å; D157-K331 PolarHBondContact OD2-NZ 3.33Å; W165-K331 HydrophobicContact CB-CB 4.11Å; W165-K331 HydrophobicContact CB-CD 3.81Å; W165-K331 HydrophobicContact CB-CG 4.07Å; W165-K331 HydrophobicContact CD2-CD 4.29Å; W165-K331 HydrophobicContact CD2-CG 4.07Å; W165-K331 HydrophobicContact CE3-CB 4.31Å; W165-K331 HydrophobicContact CE3-CG 3.87Å; W165-K331 HydrophobicContact CG-CD 3.95Å; W165-K331 HydrophobicContact CG-CG 4.17Å; T166-K331 CarbonylContact O-C 3.6Å; T166-K331 VanDerWaalsContact O-CA 3.26Å; T166-K331 WeakPolarHBondContact O-CA 3.48Å; T166-K331 WeakPolarHBondContact O-CB 3.45Å; L167-K331 HydrophobicContact CD1-CB 3.83Å; L167-K331 HydrophobicContact CD1-CD 3.91Å; L167-K331 HydrophobicContact CG-CB 4.05Å; R214-K331 HydrophobicContact CB-CG 4.08Å; R214-K331 PolarHBondContact N-O 3.43Å; R214-K331 PolarHBondContact O-N 2.97Å; E216-K331 VanDerWaalsContact CD-NZ 3.27Å; E216-K331 IonicContact OE1-NZ 3.3Å; E216-K331 WeakPolarHBondContact OE2-CE 3.39Å; E216-K331 IonicContact OE2-NZ 3.87Å; E216-K331 PolarHBondContact OE2-NZ 2.84Å
332	V	98.6	Very high	94.7	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.012	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	152.5	-176.2	-60.1	0	0	0	0	111.6	T166 I168 L206 T207 T212 L213 F232	T166-V332 PolarHBondContact N-O 2.84Å; T166-V332 PolarHBondContact O-N 3.27Å; I168-V332 HydrophobicContact CD1-CG1 3.87Å; I168-V332 HydrophobicContact CG1-CG1 4.44Å; I168-V332 HydrophobicContact CG2-CG1 4.29Å; I168-V332 HydrophobicContact CG2-CG2 3.79Å; L206-V332 HydrophobicContact CB-CG2 4.3Å; L206-V332 HydrophobicContact CD1-CG2 4.44Å; T207-V332 HydrophobicContact CG2-CG1 4.36Å; T212-V332 VanDerWaalsContact O-CA 3.27Å; T212-V332 WeakPolarHBondContact O-CA 3.49Å; L213-V332 HydrophobicContact CD1-CG1 3.98Å; F232-V332 HydrophobicContact CD1-CG1 3.68Å; F232-V332 HydrophobicContact CE1-CG1 3.58Å
333	R	96.6	Very high	94.6	Very high	19 Å²	19	41.1 Å²	41.1	7%	0.072	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	150.1	176.5	-173.8	171.5	70.2	-176.3	-2.6	108.6	A126 N161 G163 G164 W165 S211 T212 A335 F337	A126-R333 HydrophobicContact CB-CG 4.06Å; N161-R333 PolarHBondContact O-NH1 2.99Å; G163-R333 VanDerWaalsContact O-CD 3.22Å; G163-R333 WeakPolarHBondContact O-CD 3.4Å; G163-R333 PolarHBondContact O-NH1 3.35Å; G164-R333 WeakPolarHBondContact O-CG 3.43Å; W165-R333 HydrophobicContact CD2-CB 4.02Å; W165-R333 HydrophobicContact CE3-CB 3.5Å; W165-R333 VanDerWaalsContact CE3-CB 3.5Å; W165-R333 HydrophobicContact CH2-CB 4.29Å; W165-R333 VanDerWaalsContact CZ2-CZ 3.48Å; W165-R333 HydrophobicContact CZ3-CB 3.66Å; S211-R333 CarbonylContact C-O 3.55Å; S211-R333 WeakPolarHBondContact CA-O 3.39Å; S211-R333 WeakPolarHBondContact CB-O 3.37Å; T212-R333 PolarHBondContact N-O 3.17Å; T212-R333 PolarHBondContact O-N 3.43Å; T212-R333 VanDerWaalsContact O-N 3.11Å; R333-A335 PolarHBondContact O-N 3.39Å; R333-F337 HydrophobicContact CG-CB 3.86Å; R333-F337 HydrophobicContact CG-CD1 4.16Å; R333-F337 HydrophobicContact CG-CD2 4.33Å; R333-F337 HydrophobicContact CG-CG 3.86Å; R333-F337 VanDerWaalsContact NH1-CE1 3.27Å
334	P	96.1	Very high	94.5	Very high	41 Å²	41	43 Å²	43	27%	0.266	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.5	138.3	177.1	-27.2	36.5	0	0	0	111.8	D124 A126 G336 F337	D124-P334 VanDerWaalsContact OD2-CD 3.22Å; D124-P334 WeakPolarHBondContact OD2-CD 3.31Å; D124-P334 WeakPolarHBondContact OD2-CG 3.34Å; A126-P334 HydrophobicContact CB-CG 4.01Å; P334-G336 PolarHBondContact O-N 3.45Å; P334-F337 WeakPolarHBondContact O-CB 3.31Å; P334-F337 PolarHBondContact O-N 3.49Å; P334-F337 VanDerWaalsContact O-N 3.07Å
335	A	92.2	Very high	94.2	Very high	47 Å²	47	45.9 Å²	45.9	39%	0.388	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-28.5	-176.1	0	0	0	0	0	113.1	P210 R333 F337	P210-A335 HydrophobicContact CB-CB 4.34Å; P210-A335 VanDerWaalsContact O-CB 3.25Å; P210-A335 WeakPolarHBondContact O-CB 3.13Å; P210-A335 PolarHBondContact O-N 3.14Å; R333-A335 PolarHBondContact O-N 3.39Å; A335-F337 VanDerWaalsContact C-N 3.32Å
336	G	88.6	Confident	94	Very high	73 Å²	73	49 Å²	49	75%	0.753	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	6.9	176.5	0	0	0	0	0	115	P334	P334-G336 PolarHBondContact O-N 3.45Å
337	F	91.1	Very high	93.7	Very high	39 Å²	39	48.8 Å²	48.8	17%	0.171	29%	0.287	C	S	.	.			trans	-64.7	135.3	-178.6	175.7	-93.6	0	0	0	112	A126 Y129 R333 P334 A335 P339	A126-F337 HydrophobicContact CB-CD2 3.66Å; A126-F337 HydrophobicContact CB-CE2 3.94Å; Y129-F337 AromaticContact CD1-CE2 3.84Å; Y129-F337 HydrophobicContact CD1-CE2 3.84Å; Y129-F337 AromaticContact CD1-CZ 3.44Å; Y129-F337 HydrophobicContact CD1-CZ 3.44Å; Y129-F337 VanDerWaalsContact CD1-CZ 3.44Å; Y129-F337 AromaticContact CE1-CZ 3.8Å; Y129-F337 HydrophobicContact CE1-CZ 3.8Å; Y129-F337 HydrophobicContact CG-CE2 4.43Å; Y129-F337 HydrophobicContact CG-CZ 4.14Å; R333-F337 HydrophobicContact CG-CB 3.86Å; R333-F337 HydrophobicContact CG-CD1 4.16Å; R333-F337 HydrophobicContact CG-CD2 4.33Å; R333-F337 HydrophobicContact CG-CG 3.86Å; R333-F337 VanDerWaalsContact NH1-CE1 3.27Å; P334-F337 WeakPolarHBondContact O-CB 3.31Å; P334-F337 PolarHBondContact O-N 3.49Å; P334-F337 VanDerWaalsContact O-N 3.07Å; A335-F337 VanDerWaalsContact C-N 3.32Å; F337-P339 HydrophobicContact CD1-CG 4.42Å; F337-P339 HydrophobicContact CE1-CB 4.14Å; F337-P339 HydrophobicContact CE1-CG 3.86Å
338	Q	84.9	Confident	93.3	Very high	171 Å²	171	45.5 Å²	45.5	80%	0.799	28%	0.282	S	S	*	.			trans	-122.6	124.6	170.8	-64.2	-171.4	-6.9	0	0	108.5
339	P	77	Confident	92.8	Very high	114 Å²	114	49.5 Å²	49.5	74%	0.74	31%	0.308	S	S	*	.			trans	-58.6	0	-178.3	-22.1	30.6	0	0	0	115.1	Y129 F337	Y129-P339 WeakPolarHBondContact CE1-OXT 3.24Å; F337-P339 HydrophobicContact CD1-CG 4.42Å; F337-P339 HydrophobicContact CE1-CB 4.14Å; F337-P339 HydrophobicContact CE1-CG 3.86Å

Retrieved 339 of 339 residues in 177.6 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).