A0A061IM22_CRIGR Loading...

Cysteine-rich secretory protein 1

AlphaFold DB , UniProt , Accession A0A061IM22, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene n/a, Length 294 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.2	Very low	36.3	Very low	235 Å²	235	169.5 Å²	169.5	100%	1.158	81%	0.813	S	S	*	*				0	100.8	0	-71.4	158.9	58.7	0	0	106.1
2	K	38.8	Very low	36	Very low	189 Å²	189	167.5 Å²	167.5	82%	0.822	81%	0.809	S	S	*	*				51.1	109.5	51.2	-88.3	-167.4	-179.5	-179.1	0	114.1
3	I	38.7	Very low	35.7	Very low	156 Å²	156	173.7 Å²	173.7	80%	0.8	82%	0.819	S	S	*	*			trans	-157.9	96.1	138.9	-82.7	146.1	0	0	0	105.3
4	H	39.7	Very low	35.8	Very low	152 Å²	152	169.4 Å²	169.4	70%	0.704	81%	0.81	S	S	*	*				58.4	109.9	107.5	-66.1	-71.7	0	0	0	114.7
5	L	43	Very low	36.1	Very low	150 Å²	150	167.5 Å²	167.5	79%	0.785	81%	0.813	S	S	*	*				63.7	109.8	60.2	-158.5	87	0	0	0	114.2
6	F	35.3	Very low	36.1	Very low	168 Å²	168	166.1 Å²	166.1	74%	0.737	81%	0.809	S	S	*	*			trans	159.2	138.4	154.1	-92.4	-59.2	0	0	0	107.5
7	F	32.4	Very low	36.1	Very low	179 Å²	179	166.3 Å²	166.3	79%	0.785	81%	0.813	S	S	*	*			cis	-157.3	147.5	17.2	-115.9	-74.6	0	0	0	108.8
8	F	35.2	Very low	35.9	Very low	187 Å²	187	163.9 Å²	163.9	82%	0.82	81%	0.811	S	S	*	*			trans	-91.6	151.9	167.5	-124.3	-89.2	0	0	0	108.9
9	I	36.1	Very low	35.7	Very low	140 Å²	140	160.8 Å²	160.8	72%	0.718	81%	0.813	S	S	*	*			trans	84.4	111.7	160.6	-50	159.1	0	0	0	116.9
10	L	33.5	Very low	35.7	Very low	165 Å²	165	162.8 Å²	162.8	86%	0.864	82%	0.816	S	S	*	*				-174	135.1	107.2	-116.6	118.2	0	0	0	113.4
11	L	32.7	Very low	35.5	Very low	144 Å²	144	166.1 Å²	166.1	75%	0.754	82%	0.819	S	S	*	*			trans	-59.8	162.7	172.3	-84.9	143.9	0	0	0	114.7
12	L	32.8	Very low	35.5	Very low	145 Å²	145	166.1 Å²	166.1	76%	0.759	81%	0.806	S	S	*	*			trans	81.8	112	159.5	-62.5	146.8	0	0	0	116
13	W	32.1	Very low	35.2	Very low	248 Å²	248	164.1 Å²	164.1	94%	0.939	80%	0.804	S	S	*	*				-160.4	129.9	112	-105	35.9	0	0	0	111
14	V	37.3	Very low	35.1	Very low	114 Å²	114	162 Å²	162	69%	0.691	80%	0.8	S	S	*	*			trans	-65	129	175.5	169.6	0	0	0	0	109.3	I16	V14-I16 HydrophobicContact CG1-CG1 4.41Å
15	T	40.1	Very low	35	Very low	141 Å²	141	164 Å²	164	87%	0.865	81%	0.81	S	S	*	*			trans	-108.6	117.4	160.1	41.6	0	0	0	0	110.5
16	I	36.2	Very low	34.7	Very low	144 Å²	144	168.1 Å²	168.1	74%	0.738	82%	0.817	S	S	*	*			trans	-64.1	124.6	-179.5	-65.1	157.2	0	0	0	109.6	V14	V14-I16 HydrophobicContact CG1-CG1 4.41Å
17	L	34.8	Very low	35.1	Very low	170 Å²	170	163.2 Å²	163.2	89%	0.89	81%	0.813	S	S	*	*			trans	-104.2	121.2	160.4	-102.1	149.6	0	0	0	108.3
18	T	34.1	Very low	35.7	Very low	124 Å²	124	160.4 Å²	160.4	76%	0.761	82%	0.816	S	S	*	*			trans	-66.6	127.1	-171.9	39.8	0	0	0	0	111.9	K20	T18-K20 PolarHBondContact O-N 2.97Å
19	A	32	Very low	36	Very low	104 Å²	104	158.5 Å²	158.5	86%	0.86	81%	0.814	S	S	*	*			trans	-71.3	119.5	173.6	0	0	0	0	0	110.6
20	K	34.4	Very low	36.6	Very low	200 Å²	200	157 Å²	157	87%	0.87	81%	0.807	S	S	*	*			trans	-90.3	115.1	168.9	-147.4	173.7	-172.6	179.5	0	108.6	T18 W22	T18-K20 PolarHBondContact O-N 2.97Å; K20-W22 PolarHBondContact O-N 3.08Å
21	R	32	Very low	37.2	Very low	233 Å²	233	155.3 Å²	155.3	88%	0.879	80%	0.798	S	S	*	*			trans	-71.5	116.9	-177.1	-159.9	174.8	-171.3	174.2	1.5	109.7
22	W	34.9	Very low	37.8	Very low	236 Å²	236	158.4 Å²	158.4	89%	0.894	80%	0.8	S	S	*	*			trans	-111.1	122.9	163	-100.4	77.4	0	0	0	107.9	K20	K20-W22 PolarHBondContact O-N 3.08Å
23	L	31.6	Very low	38.3	Very low	147 Å²	147	155.8 Å²	155.8	77%	0.77	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-74.8	139	172.8	-83.2	148	0	0	0	109.2
24	P	37.8	Very low	38.6	Very low	111 Å²	111	147.7 Å²	147.7	72%	0.721	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-83.3	128.7	179.4	31.8	-29.7	0	0	0	110.7
25	E	37.1	Very low	38.9	Very low	194 Å²	194	147 Å²	147	91%	0.907	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-72.1	130.4	157.2	-86.3	-176.1	158.1	0	0	109	G27	E25-G27 PolarHBondContact O-N 3.5Å
26	Y	37	Very low	39	Very low	237 Å²	237	150.4 Å²	150.4	93%	0.929	77%	0.772	S	S	*	*			trans	-75	91	179.8	-123.9	-99	0	0	0	109.4
27	G	43.8	Very low	39.3	Very low	64 Å²	64	149.4 Å²	149.4	66%	0.66	77%	0.767	S	S	*	*			trans	-103.2	131.1	164.2	0	0	0	0	0	109.9	E25 L29	E25-G27 PolarHBondContact O-N 3.5Å; G27-L29 PolarHBondContact O-N 2.03Å
28	S	45	Very low	39.6	Very low	121 Å²	121	143.8 Å²	143.8	85%	0.846	75%	0.75	S	S	*	*			trans	-42.6	124	-175.5	53.9	0	0	0	0	114.6	D30	S28-D30 PolarHBondContact O-N 3.3Å; S28-D30 VanDerWaalsContact O-N 3.15Å
29	L	41.6	Very low	40.1	Very low	147 Å²	147	143.9 Å²	143.9	77%	0.77	74%	0.744	S	S	*	*			trans	-65.9	102.4	174.6	-150.7	84.5	0	0	0	110.2	G27 L31	G27-L29 PolarHBondContact O-N 2.03Å; L29-L31 HydrophobicContact CD2-CD1 3.82Å; L29-L31 HydrophobicContact CD2-CG 3.93Å; L29-L31 PolarHBondContact O-N 3.31Å; L29-L31 VanDerWaalsContact O-N 3.16Å
30	D	47.8	Very low	40.8	Very low	107 Å²	107	141.4 Å²	141.4	57%	0.572	72%	0.723	S	S	*	*			trans	-78.2	95	165	-172	-0.6	0	0	0	109.6	S28 R32	S28-D30 PolarHBondContact O-N 3.3Å; S28-D30 VanDerWaalsContact O-N 3.15Å; D30-R32 PolarHBondContact O-N 2.78Å; D30-R32 VanDerWaalsContact O-N 3.1Å; D30-R32 WeakPolarHBondContact OD1-CB 2.95Å; D30-R32 PolarHBondContact OD1-N 3.01Å; D30-R32 VanDerWaalsContact OD1-N 3.08Å
31	L	46.8	Very low	41.4	Very low	130 Å²	130	136 Å²	136	68%	0.681	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.4	-0.4	178.5	-94.3	132.3	0	0	0	114.5	L29	L29-L31 HydrophobicContact CD2-CD1 3.82Å; L29-L31 HydrophobicContact CD2-CG 3.93Å; L29-L31 PolarHBondContact O-N 3.31Å; L29-L31 VanDerWaalsContact O-N 3.16Å
32	R	44.1	Very low	42	Very low	210 Å²	210	132.4 Å²	132.4	79%	0.792	70%	0.697	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.4	-21.5	177.3	-67.6	-176.2	-169.4	-117.6	0.8	114.1	D30	D30-R32 PolarHBondContact O-N 2.78Å; D30-R32 VanDerWaalsContact O-N 3.1Å; D30-R32 WeakPolarHBondContact OD1-CB 2.95Å; D30-R32 PolarHBondContact OD1-N 3.01Å; D30-R32 VanDerWaalsContact OD1-N 3.08Å
33	T	42.7	Very low	42.5	Very low	90 Å²	90	127.9 Å²	127.9	55%	0.552	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.6	-27.1	-173.8	-37.6	0	0	0	0	112.9	C35 R36	T33-C35 VanDerWaalsContact C-N 3.29Å; T33-C35 PolarHBondContact O-N 2.62Å; T33-R36 PolarHBondContact O-N 2.82Å
34	A	39.1	Very low	43.1	Very low	78 Å²	78	128.7 Å²	128.7	65%	0.645	68%	0.679	S	S	*	*	H	α-helix	trans	-71.4	-20.3	178.6	0	0	0	0	0	113.7
35	C	43.9	Very low	43.2	Very low	99 Å²	99	129.1 Å²	129.1	67%	0.669	67%	0.674	S	S	*	*	H	α-helix	trans	-81.7	-19.1	177.9	-153.1	0	0	0	0	113.1	T33	T33-C35 VanDerWaalsContact C-N 3.29Å; T33-C35 PolarHBondContact O-N 2.62Å
36	R	42.9	Very low	43.5	Very low	212 Å²	212	125.4 Å²	125.4	80%	0.8	66%	0.66	S	S	*	*	H	α-helix	trans	-87.8	-23.5	178	-74	-172.5	176.9	-163.6	-0.6	114.1	T33	T33-R36 PolarHBondContact O-N 2.82Å
37	L	42.8	Very low	43.9	Very low	124 Å²	124	121.1 Å²	121.1	65%	0.649	65%	0.647	S	S	*	*	H	α-helix	trans	-84.5	-28.7	-179.5	-123.9	76.8	0	0	0	113.8	M39 V41	L37-M39 VanDerWaalsContact C-N 3.32Å; L37-M39 PolarHBondContact O-N 3.22Å; L37-V41 WeakPolarHBondContact O-CG2 3.25Å; L37-V41 PolarHBondContact O-N 2.78Å
38	G	40.5	Very low	44.1	Very low	51 Å²	51	121 Å²	121	53%	0.526	64%	0.639	S	S	.	*	H	α-helix	trans	-70.3	-23.9	179.4	0	0	0	0	0	114.6
39	M	44.9	Very low	44.3	Very low	127 Å²	127	118.1 Å²	118.1	63%	0.626	62%	0.623	S	S	*	*	H	α-helix	trans	-83.7	-38.5	175.1	-67.7	-140.4	-72	0	0	112.2	L37 V41 K42 Y43	L37-M39 VanDerWaalsContact C-N 3.32Å; L37-M39 PolarHBondContact O-N 3.22Å; M39-V41 PolarHBondContact O-N 2.02Å; M39-K42 PolarHBondContact O-N 2.96Å; M39-Y43 WeakPolarHBondContact O-CD2 3.43Å; M39-Y43 PolarHBondContact O-N 3.22Å
40	A	46.8	Very low	44.8	Very low	52 Å²	52	113.8 Å²	113.8	43%	0.43	61%	0.608	S	S	.	*	H	α-helix	trans	-65.3	-34.3	-178.5	0	0	0	0	0	113.6	Y43 F44	A40-Y43 PolarHBondContact O-N 3.1Å; A40-F44 PolarHBondContact O-N 3.11Å; A40-F44 VanDerWaalsContact O-N 3.1Å
41	V	47	Very low	45	Very low	86 Å²	86	111.7 Å²	111.7	52%	0.521	61%	0.605	S	S	.	*	H	α-helix	trans	-73.4	-32.7	179.1	178.4	0	0	0	0	112.4	L37 M39 L45	L37-V41 WeakPolarHBondContact O-CG2 3.25Å; L37-V41 PolarHBondContact O-N 2.78Å; M39-V41 PolarHBondContact O-N 2.02Å; V41-L45 HydrophobicContact CG1-CD1 4.24Å; V41-L45 PolarHBondContact O-N 2.96Å
42	K	43	Very low	45.2	Very low	158 Å²	158	108 Å²	108	69%	0.687	59%	0.594	S	S	*	*	H	α-helix	trans	-68.4	-38.5	173.1	-90.7	-177.4	174.7	-179.9	0	112.1	M39 L46	M39-K42 PolarHBondContact O-N 2.96Å; K42-L46 WeakPolarHBondContact O-CB 3.44Å; K42-L46 WeakPolarHBondContact O-CD1 3.4Å; K42-L46 WeakPolarHBondContact O-CG 3.5Å; K42-L46 PolarHBondContact O-N 2.91Å; K42-L46 VanDerWaalsContact O-N 3.13Å
43	Y	45.4	Very low	45.5	Very low	140 Å²	140	100.8 Å²	100.8	55%	0.549	58%	0.579	S	S	.	*	H	α-helix	trans	-66.9	-41.8	174.9	-74.5	-71.8	0	0	0	111.7	M39 A40 L45 L46 F47	M39-Y43 WeakPolarHBondContact O-CD2 3.43Å; M39-Y43 PolarHBondContact O-N 3.22Å; A40-Y43 PolarHBondContact O-N 3.1Å; Y43-L45 PolarHBondContact O-N 3.47Å; Y43-L46 PolarHBondContact O-N 2.85Å; Y43-F47 WeakPolarHBondContact O-CD2 3.49Å; Y43-F47 PolarHBondContact O-N 2.98Å
44	F	44.8	Very low	45.9	Very low	164 Å²	164	98.5 Å²	98.5	72%	0.719	57%	0.57	S	S	*	*	H	α-helix	trans	-64	-37.5	178	-109.7	-87.7	0	0	0	114	A40 F47 A48	A40-F44 PolarHBondContact O-N 3.11Å; A40-F44 VanDerWaalsContact O-N 3.1Å; F44-F47 PolarHBondContact O-N 2.93Å; F44-A48 WeakPolarHBondContact O-CB 3.27Å; F44-A48 PolarHBondContact O-N 3.01Å
45	L	39.6	Very low	46.5	Very low	121 Å²	121	97.4 Å²	97.4	63%	0.634	56%	0.56	S	S	*	*	H	α-helix	trans	-72.1	-32.6	175	-73.7	167.3	0	0	0	112.6	V41 Y43 A49	V41-L45 HydrophobicContact CG1-CD1 4.24Å; V41-L45 PolarHBondContact O-N 2.96Å; Y43-L45 PolarHBondContact O-N 3.47Å; L45-A49 WeakPolarHBondContact O-CB 2.99Å; L45-A49 PolarHBondContact O-N 3.25Å; L45-A49 VanDerWaalsContact O-N 3.09Å
46	L	44.5	Very low	46.9	Very low	116 Å²	116	97.7 Å²	97.7	61%	0.607	56%	0.559	S	S	*	*	H	α-helix	trans	-70.1	-37.2	171.9	-80.3	159.5	0	0	0	112.2	K42 Y43 A50	K42-L46 WeakPolarHBondContact O-CB 3.44Å; K42-L46 WeakPolarHBondContact O-CD1 3.4Å; K42-L46 WeakPolarHBondContact O-CG 3.5Å; K42-L46 PolarHBondContact O-N 2.91Å; K42-L46 VanDerWaalsContact O-N 3.13Å; Y43-L46 PolarHBondContact O-N 2.85Å; L46-A50 VanDerWaalsContact O-CB 3.28Å; L46-A50 WeakPolarHBondContact O-CB 3.08Å; L46-A50 PolarHBondContact O-N 2.91Å
47	F	44.7	Very low	47.4	Very low	147 Å²	147	92 Å²	92	65%	0.645	55%	0.547	S	S	*	.	H	α-helix	trans	-71.1	-37.5	175.4	-81.7	-68.9	0	0	0	112.7	Y43 F44 A50 A51	Y43-F47 WeakPolarHBondContact O-CD2 3.49Å; Y43-F47 PolarHBondContact O-N 2.98Å; F44-F47 PolarHBondContact O-N 2.93Å; F47-A50 PolarHBondContact O-N 3.19Å; F47-A51 WeakPolarHBondContact O-CB 3.03Å; F47-A51 PolarHBondContact O-N 3.26Å
48	A	48.5	Very low	48.1	Very low	61 Å²	61	93.4 Å²	93.4	50%	0.504	55%	0.549	S	S	.	.	H	α-helix	trans	-67.6	-39.4	174.4	0	0	0	0	0	112.3	F44 A52	F44-A48 WeakPolarHBondContact O-CB 3.27Å; F44-A48 PolarHBondContact O-N 3.01Å; A48-A52 WeakPolarHBondContact O-CB 3.21Å; A48-A52 PolarHBondContact O-N 2.76Å
49	A	49.4	Very low	49	Very low	61 Å²	61	95.8 Å²	95.8	50%	0.504	55%	0.552	S	S	.	*	H	α-helix	trans	-68.1	-38.2	174.7	0	0	0	0	0	112.5	L45 A53	L45-A49 WeakPolarHBondContact O-CB 2.99Å; L45-A49 PolarHBondContact O-N 3.25Å; L45-A49 VanDerWaalsContact O-N 3.09Å; A49-A53 VanDerWaalsContact O-CB 3.26Å; A49-A53 WeakPolarHBondContact O-CB 3.34Å; A49-A53 PolarHBondContact O-N 3.19Å
50	A	50.9	Low	49.8	Very low	56 Å²	56	92.6 Å²	92.6	46%	0.463	54%	0.542	S	S	.	.	H	α-helix	trans	-68.3	-38.5	175.1	0	0	0	0	0	112.5	L46 F47 A54	L46-A50 VanDerWaalsContact O-CB 3.28Å; L46-A50 WeakPolarHBondContact O-CB 3.08Å; L46-A50 PolarHBondContact O-N 2.91Å; F47-A50 PolarHBondContact O-N 3.19Å; A50-A54 WeakPolarHBondContact O-CB 3.35Å; A50-A54 PolarHBondContact O-N 3.11Å
51	A	52.1	Low	50.7	Low	62 Å²	62	93.1 Å²	93.1	51%	0.512	54%	0.539	S	S	.	.	H	α-helix	trans	-68	-39.7	174.9	0	0	0	0	0	112.3	F47 A55	F47-A51 WeakPolarHBondContact O-CB 3.03Å; F47-A51 PolarHBondContact O-N 3.26Å; A51-A55 WeakPolarHBondContact O-CB 3.11Å; A51-A55 PolarHBondContact O-N 3.32Å
52	A	51.2	Low	51.6	Low	54 Å²	54	94.9 Å²	94.9	45%	0.446	55%	0.545	S	S	.	.	H	α-helix	trans	-68.1	-42.5	174.4	0	0	0	0	0	112.2	A48 A55 V56	A48-A52 WeakPolarHBondContact O-CB 3.21Å; A48-A52 PolarHBondContact O-N 2.76Å; A52-A55 PolarHBondContact O-N 2.87Å; A52-V56 WeakPolarHBondContact O-CB 3.05Å; A52-V56 WeakPolarHBondContact O-CG2 3.27Å; A52-V56 PolarHBondContact O-N 2.95Å
53	A	51.3	Low	52.8	Low	57 Å²	57	90.2 Å²	90.2	47%	0.471	54%	0.536	S	S	.	.	H	α-helix	trans	-65.7	-39.2	175.2	0	0	0	0	0	112.1	A49 V56 V57	A49-A53 VanDerWaalsContact O-CB 3.26Å; A49-A53 WeakPolarHBondContact O-CB 3.34Å; A49-A53 PolarHBondContact O-N 3.19Å; A53-V56 PolarHBondContact O-N 2.62Å; A53-V57 WeakPolarHBondContact O-CB 3.27Å; A53-V57 VanDerWaalsContact O-CG2 3.28Å; A53-V57 WeakPolarHBondContact O-CG2 2.97Å; A53-V57 PolarHBondContact O-N 2.89Å
54	A	50.6	Low	53.9	Low	43 Å²	43	87.9 Å²	87.9	36%	0.355	53%	0.532	S	S	.	.	H	α-helix	trans	-63.1	-47.1	172.7	0	0	0	0	0	111.1	A50 V56 V57 F58	A50-A54 WeakPolarHBondContact O-CB 3.35Å; A50-A54 PolarHBondContact O-N 3.11Å; A54-V56 PolarHBondContact O-N 2.94Å; A54-V57 PolarHBondContact O-N 2.78Å; A54-F58 HydrophobicContact CB-CD2 4.39Å; A54-F58 VanDerWaalsContact O-CB 3.23Å; A54-F58 WeakPolarHBondContact O-CB 3.47Å; A54-F58 VanDerWaalsContact O-CD2 3.26Å; A54-F58 WeakPolarHBondContact O-CD2 3.48Å; A54-F58 PolarHBondContact O-N 2.94Å
55	A	51.4	Low	55.2	Low	54 Å²	54	86.8 Å²	86.8	45%	0.446	53%	0.527	S	S	.	.	H	α-helix	trans	-61.9	-40.8	176.9	0	0	0	0	0	112.7	A51 A52 V57 V59	A51-A55 WeakPolarHBondContact O-CB 3.11Å; A51-A55 PolarHBondContact O-N 3.32Å; A52-A55 PolarHBondContact O-N 2.87Å; A55-V57 VanDerWaalsContact C-N 3.32Å; A55-V57 PolarHBondContact O-N 3.4Å; A55-V59 WeakPolarHBondContact O-CB 3.21Å; A55-V59 VanDerWaalsContact O-CG2 3.22Å; A55-V59 WeakPolarHBondContact O-CG2 3.5Å; A55-V59 PolarHBondContact O-N 2.02Å; A55-V59 VanDerWaalsContact O-N 3.11Å
56	V	52.7	Low	56.9	Low	106 Å²	106	84.9 Å²	84.9	64%	0.642	52%	0.517	S	S	*	.	H	α-helix	trans	-70.3	-24.6	178.4	173.5	0	0	0	0	112.6	A52 A53 A54 P60	A52-V56 WeakPolarHBondContact O-CB 3.05Å; A52-V56 WeakPolarHBondContact O-CG2 3.27Å; A52-V56 PolarHBondContact O-N 2.95Å; A53-V56 PolarHBondContact O-N 2.62Å; A54-V56 PolarHBondContact O-N 2.94Å; V56-P60 WeakPolarHBondContact O-CD 3.4Å; V56-P60 WeakPolarHBondContact O-CG 3.38Å
57	V	54.1	Low	58.5	Low	92 Å²	92	84.7 Å²	84.7	56%	0.558	52%	0.516	S	S	*	.	H	α-helix	trans	-93.2	-34.7	175.6	174.9	0	0	0	0	112.1	A53 A54 A55 P60 V61	A53-V57 WeakPolarHBondContact O-CB 3.27Å; A53-V57 VanDerWaalsContact O-CG2 3.28Å; A53-V57 WeakPolarHBondContact O-CG2 2.97Å; A53-V57 PolarHBondContact O-N 2.89Å; A54-V57 PolarHBondContact O-N 2.78Å; A55-V57 VanDerWaalsContact C-N 3.32Å; A55-V57 PolarHBondContact O-N 3.4Å; V57-P60 WeakPolarHBondContact O-CD 3.29Å; V57-V61 HydrophobicContact CG1-CG2 4.48Å; V57-V61 WeakPolarHBondContact O-CG2 3.39Å; V57-V61 PolarHBondContact O-N 3.4Å
58	F	55.8	Low	60.3	Low	154 Å²	154	84.8 Å²	84.8	68%	0.675	52%	0.516	S	S	*	.	H	α-helix	trans	-69.6	-38.5	178.4	-94.4	-96.8	0	0	0	112.8	A54 V61 L62	A54-F58 HydrophobicContact CB-CD2 4.39Å; A54-F58 VanDerWaalsContact O-CB 3.23Å; A54-F58 WeakPolarHBondContact O-CB 3.47Å; A54-F58 VanDerWaalsContact O-CD2 3.26Å; A54-F58 WeakPolarHBondContact O-CD2 3.48Å; A54-F58 PolarHBondContact O-N 2.94Å; F58-V61 PolarHBondContact O-N 3.29Å; F58-L62 VanDerWaalsContact O-CB 3.3Å; F58-L62 WeakPolarHBondContact O-CB 3.48Å; F58-L62 PolarHBondContact O-N 2.94Å
59	V	59.3	Low	62	Low	100 Å²	100	86.6 Å²	86.6	61%	0.606	52%	0.517	S	S	*	.	H	α-helix	trans	-63.9	-48	179.6	170.9	0	0	0	0	112.3	A55 V61 L62 A63	A55-V59 WeakPolarHBondContact O-CB 3.21Å; A55-V59 VanDerWaalsContact O-CG2 3.22Å; A55-V59 WeakPolarHBondContact O-CG2 3.5Å; A55-V59 PolarHBondContact O-N 2.02Å; A55-V59 VanDerWaalsContact O-N 3.11Å; V59-V61 PolarHBondContact O-N 3.34Å; V59-L62 PolarHBondContact O-N 3.27Å; V59-A63 WeakPolarHBondContact O-CB 3.18Å; V59-A63 PolarHBondContact O-N 3.49Å
60	P	62.8	Low	63.6	Low	61 Å²	61	85.4 Å²	85.4	40%	0.396	50%	0.501	S	S	.	.	H	α-helix	trans	-62.4	-40.8	173.6	-22.7	31.7	0	0	0	113.1	V56 V57 A63 I64	V56-P60 WeakPolarHBondContact O-CD 3.4Å; V56-P60 WeakPolarHBondContact O-CG 3.38Å; V57-P60 WeakPolarHBondContact O-CD 3.29Å; P60-A63 PolarHBondContact O-N 3.12Å; P60-I64 WeakPolarHBondContact O-CB 3.23Å; P60-I64 WeakPolarHBondContact O-CD1 3.31Å; P60-I64 WeakPolarHBondContact O-CG1 3.38Å; P60-I64 PolarHBondContact O-N 3.35Å
61	V	64.8	Low	65.3	Low	62 Å²	62	91.3 Å²	91.3	38%	0.376	51%	0.512	S	S	.	.	H	α-helix	trans	-65.3	-41.4	179	171	0	0	0	0	111.1	V57 F58 V59 I64 K65	V57-V61 HydrophobicContact CG1-CG2 4.48Å; V57-V61 WeakPolarHBondContact O-CG2 3.39Å; V57-V61 PolarHBondContact O-N 3.4Å; F58-V61 PolarHBondContact O-N 3.29Å; V59-V61 PolarHBondContact O-N 3.34Å; V61-I64 PolarHBondContact O-N 2.86Å; V61-K65 HydrophobicContact CG1-CD 4.19Å; V61-K65 WeakPolarHBondContact O-CB 3.49Å; V61-K65 VanDerWaalsContact O-CG 3.28Å; V61-K65 WeakPolarHBondContact O-CG 3.39Å; V61-K65 PolarHBondContact O-N 3.33Å
62	L	65.8	Low	67	Low	124 Å²	124	90.7 Å²	90.7	65%	0.649	51%	0.506	S	S	*	.	H	α-helix	trans	-65	-43.8	175.8	-174.4	64.7	0	0	0	111.4	F58 V59 I64 K65 N66	F58-L62 VanDerWaalsContact O-CB 3.3Å; F58-L62 WeakPolarHBondContact O-CB 3.48Å; F58-L62 PolarHBondContact O-N 2.94Å; V59-L62 PolarHBondContact O-N 3.27Å; L62-I64 PolarHBondContact O-N 2.89Å; L62-K65 PolarHBondContact O-N 3.5Å; L62-N66 WeakPolarHBondContact O-CB 3.26Å; L62-N66 PolarHBondContact O-N 3.29Å
63	A	69.7	Low	68.9	Low	60 Å²	60	91.4 Å²	91.4	50%	0.496	50%	0.502	S	S	.	.	H	α-helix	trans	-61.9	-42.5	175.8	0	0	0	0	0	112.3	V59 P60 N66 L67	V59-A63 WeakPolarHBondContact O-CB 3.18Å; V59-A63 PolarHBondContact O-N 3.49Å; P60-A63 PolarHBondContact O-N 3.12Å; A63-N66 PolarHBondContact O-N 3.34Å; A63-L67 PolarHBondContact O-N 2.91Å
64	I	69	Low	70.9	Confident	91 Å²	91	91.3 Å²	91.3	47%	0.467	49%	0.49	S	S	.	.	H	α-helix	trans	-66.1	-42.3	176.2	-68.8	163.7	0	0	0	111.2	P60 V61 L62 N66 L67 K68	P60-I64 WeakPolarHBondContact O-CB 3.23Å; P60-I64 WeakPolarHBondContact O-CD1 3.31Å; P60-I64 WeakPolarHBondContact O-CG1 3.38Å; P60-I64 PolarHBondContact O-N 3.35Å; V61-I64 PolarHBondContact O-N 2.86Å; L62-I64 PolarHBondContact O-N 2.89Å; I64-N66 VanDerWaalsContact C-N 3.32Å; I64-L67 PolarHBondContact O-N 3.5Å; I64-K68 HydrophobicContact CG2-CD 4.39Å; I64-K68 WeakPolarHBondContact O-CG 3.47Å; I64-K68 PolarHBondContact O-N 3.37Å
65	K	70.6	Confident	72.9	Confident	140 Å²	140	92.9 Å²	92.9	61%	0.609	49%	0.493	S	S	*	.	H	α-helix	trans	-61	-43.3	175.3	-78.2	177.9	178.5	-175.3	0	111.1	V61 L62 K68 L69	V61-K65 HydrophobicContact CG1-CD 4.19Å; V61-K65 WeakPolarHBondContact O-CB 3.49Å; V61-K65 VanDerWaalsContact O-CG 3.28Å; V61-K65 WeakPolarHBondContact O-CG 3.39Å; V61-K65 PolarHBondContact O-N 3.33Å; L62-K65 PolarHBondContact O-N 3.5Å; K65-K68 PolarHBondContact O-N 2.05Å; K65-L69 PolarHBondContact O-N 2.83Å
66	N	75.9	Confident	75	Confident	81 Å²	81	95.4 Å²	95.4	43%	0.433	50%	0.499	S	S	.	.	H	α-helix	trans	-62.9	-46.9	177.2	-163.7	7.3	0	0	0	111.1	L62 A63 I64 K68 L69 Q70	L62-N66 WeakPolarHBondContact O-CB 3.26Å; L62-N66 PolarHBondContact O-N 3.29Å; A63-N66 PolarHBondContact O-N 3.34Å; I64-N66 VanDerWaalsContact C-N 3.32Å; N66-K68 VanDerWaalsContact C-N 3.32Å; N66-K68 PolarHBondContact O-N 2.91Å; N66-L69 WeakPolarHBondContact O-CB 3.37Å; N66-L69 PolarHBondContact O-N 3.34Å; N66-L69 VanDerWaalsContact O-N 3.14Å; N66-Q70 WeakPolarHBondContact O-CB 3.34Å; N66-Q70 WeakPolarHBondContact O-CG 3Å; N66-Q70 PolarHBondContact O-N 3.46Å
67	L	77.2	Confident	77.1	Confident	112 Å²	112	91 Å²	91	59%	0.586	47%	0.471	S	S	*	.	H	α-helix	trans	-61.1	-38.6	177.3	-172.8	65.3	0	0	0	112.9	A63 I64 R71	A63-L67 PolarHBondContact O-N 2.91Å; I64-L67 PolarHBondContact O-N 3.5Å; L67-R71 WeakPolarHBondContact O-CB 3.48Å; L67-R71 PolarHBondContact O-N 3.04Å
68	K	82.4	Confident	79.2	Confident	149 Å²	149	87.6 Å²	87.6	65%	0.648	45%	0.451	S	S	*	.	H	α-helix	trans	-64.9	-41.7	174.8	-75.8	-178.2	178.6	-174.2	0	112.1	I64 K65 N66 A72	I64-K68 HydrophobicContact CG2-CD 4.39Å; I64-K68 WeakPolarHBondContact O-CG 3.47Å; I64-K68 PolarHBondContact O-N 3.37Å; K65-K68 PolarHBondContact O-N 2.05Å; N66-K68 VanDerWaalsContact C-N 3.32Å; N66-K68 PolarHBondContact O-N 2.91Å; K68-A72 WeakPolarHBondContact O-CB 3.25Å; K68-A72 PolarHBondContact O-N 3Å
69	L	84.2	Confident	81.2	Confident	100 Å²	100	80.4 Å²	80.4	52%	0.524	42%	0.419	S	S	.	.	H	α-helix	trans	-62.8	-48.9	175.9	177.4	63.4	0	0	0	111.1	K65 N66 R71 A72 L73	K65-L69 PolarHBondContact O-N 2.83Å; N66-L69 WeakPolarHBondContact O-CB 3.37Å; N66-L69 PolarHBondContact O-N 3.34Å; N66-L69 VanDerWaalsContact O-N 3.14Å; L69-R71 VanDerWaalsContact C-N 3.32Å; L69-R71 PolarHBondContact O-N 3.34Å; L69-A72 PolarHBondContact O-N 3.45Å; L69-A72 VanDerWaalsContact O-N 3.11Å; L69-L73 HydrophobicContact CD1-CD1 4.37Å; L69-L73 HydrophobicContact CD1-CG 4.34Å; L69-L73 HydrophobicContact CG-CD1 4.11Å; L69-L73 HydrophobicContact CG-CG 4.49Å; L69-L73 WeakPolarHBondContact O-CG 3.26Å; L69-L73 PolarHBondContact O-N 2.9Å
70	Q	83.3	Confident	82.9	Confident	36 Å²	36	78.1 Å²	78.1	17%	0.168	40%	0.402	C	S	.	.	H	α-helix	trans	-58.6	-42.7	179	-66.5	-79.8	-52.1	0	0	111.8	N66 L73 Y74	N66-Q70 WeakPolarHBondContact O-CB 3.34Å; N66-Q70 WeakPolarHBondContact O-CG 3Å; N66-Q70 PolarHBondContact O-N 3.46Å; Q70-L73 PolarHBondContact O-N 3.17Å; Q70-Y74 WeakPolarHBondContact O-CB 3.05Å; Q70-Y74 PolarHBondContact O-N 2.72Å
71	R	87.1	Confident	84.3	Confident	180 Å²	180	83.5 Å²	83.5	68%	0.679	42%	0.42	S	S	*	.	H	α-helix	trans	-64.5	-41.8	174.4	-173.7	176.3	-176.6	-177.5	0.4	112.5	L67 L69 N75	L67-R71 WeakPolarHBondContact O-CB 3.48Å; L67-R71 PolarHBondContact O-N 3.04Å; L69-R71 VanDerWaalsContact C-N 3.32Å; L69-R71 PolarHBondContact O-N 3.34Å; R71-N75 WeakPolarHBondContact O-CB 3.35Å; R71-N75 PolarHBondContact O-N 3.43Å; R71-N75 PolarHBondContact O-ND2 3.01Å; R71-N75 PolarHBondContact O-OD1 3.28Å
72	A	88.4	Confident	85.7	Confident	49 Å²	49	83.8 Å²	83.8	41%	0.405	42%	0.417	S	S	.	.	H	α-helix	trans	-65.9	-40.8	177.8	0	0	0	0	0	111.9	K68 L69 N76	K68-A72 WeakPolarHBondContact O-CB 3.25Å; K68-A72 PolarHBondContact O-N 3Å; L69-A72 PolarHBondContact O-N 3.45Å; L69-A72 VanDerWaalsContact O-N 3.11Å; A72-N76 PolarHBondContact O-N 2.93Å; A72-N76 PolarHBondContact O-ND2 3.23Å
73	L	89.9	Confident	87.1	Confident	69 Å²	69	82.1 Å²	82.1	36%	0.361	41%	0.412	S	S	.	.	H	α-helix	trans	-60	-56	173.1	-71.8	171.1	0	0	0	110.4	L69 Q70 N75 N76 L77 P154	L69-L73 HydrophobicContact CD1-CD1 4.37Å; L69-L73 HydrophobicContact CD1-CG 4.34Å; L69-L73 HydrophobicContact CG-CD1 4.11Å; L69-L73 HydrophobicContact CG-CG 4.49Å; L69-L73 WeakPolarHBondContact O-CG 3.26Å; L69-L73 PolarHBondContact O-N 2.9Å; Q70-L73 PolarHBondContact O-N 3.17Å; L73-N75 VanDerWaalsContact C-N 3.29Å; L73-N75 PolarHBondContact O-N 3.26Å; L73-N76 WeakPolarHBondContact O-CB 3.39Å; L73-N76 PolarHBondContact O-N 3.34Å; L73-L77 WeakPolarHBondContact O-CG 3.29Å; L73-L77 PolarHBondContact O-N 3.45Å; L73-P154 HydrophobicContact CB-CB 4.38Å; L73-P154 HydrophobicContact CB-CG 4.04Å; L73-P154 HydrophobicContact CD1-CG 4.3Å
74	Y	93.9	Very high	88.4	Confident	54 Å²	54	87 Å²	87	21%	0.212	42%	0.422	C	S	.	.	H	α-helix	trans	-52.2	-45.1	178.2	171.7	-100.5	0	0	0	113.1	Q70 N76 L77 V78 V203 F214	Q70-Y74 WeakPolarHBondContact O-CB 3.05Å; Q70-Y74 PolarHBondContact O-N 2.72Å; Y74-N76 PolarHBondContact O-N 3.1Å; Y74-L77 WeakPolarHBondContact O-CB 3.24Å; Y74-L77 PolarHBondContact O-N 3.31Å; Y74-V78 HydrophobicContact CD1-CG2 4.29Å; Y74-V78 HydrophobicContact CE1-CG2 3.7Å; Y74-V78 HydrophobicContact CE2-CG2 4.02Å; Y74-V78 PolarHBondContact O-N 3.43Å; Y74-V203 HydrophobicContact CD2-CG1 4.33Å; Y74-V203 HydrophobicContact CE2-CG1 3.99Å; Y74-V203 HydrophobicContact CE2-CG2 4.38Å; Y74-F214 AromaticContact CD2-CD1 3.63Å; Y74-F214 HydrophobicContact CD2-CD1 3.63Å; Y74-F214 AromaticContact CD2-CE1 3.65Å; Y74-F214 HydrophobicContact CD2-CE1 3.65Å; Y74-F214 HydrophobicContact CE2-CD1 4.2Å; Y74-F214 HydrophobicContact CE2-CE1 4.43Å; Y74-F214 HydrophobicContact CG-CD1 4.48Å; Y74-F214 HydrophobicContact CG-CE1 4.06Å
75	N	93.4	Very high	89.8	Confident	76 Å²	76	82.8 Å²	82.8	41%	0.406	40%	0.401	S	S	.	.	H	α-helix	trans	-59.4	-29.5	179.3	-72.6	-10.9	0	0	0	112.9	R71 L73 L77 Q82	R71-N75 WeakPolarHBondContact O-CB 3.35Å; R71-N75 PolarHBondContact O-N 3.43Å; R71-N75 PolarHBondContact O-ND2 3.01Å; R71-N75 PolarHBondContact O-OD1 3.28Å; L73-N75 VanDerWaalsContact C-N 3.29Å; L73-N75 PolarHBondContact O-N 3.26Å; N75-L77 VanDerWaalsContact C-N 3.31Å; N75-Q82 PolarHBondContact O-NE2 3.19Å; N75-Q82 PolarHBondContact O-OE1 3.31Å
76	N	94.5	Very high	91.1	Very high	108 Å²	108	77.9 Å²	77.9	58%	0.578	38%	0.38	S	S	*	.	H	α-helix	trans	-80.7	-11.4	176.9	-65.7	-31.7	0	0	0	113.2	A72 L73 Y74	A72-N76 PolarHBondContact O-N 2.93Å; A72-N76 PolarHBondContact O-ND2 3.23Å; L73-N76 WeakPolarHBondContact O-CB 3.39Å; L73-N76 PolarHBondContact O-N 3.34Å; Y74-N76 PolarHBondContact O-N 3.1Å
77	L	97.1	Very high	92.2	Very high	12 Å²	12	80.2 Å²	80.2	6%	0.063	39%	0.388	C	S	.	.	H	α-helix	trans	-92.5	-34.4	-179.2	-56.4	175.6	0	0	0	112.3	L73 Y74 N75 T79 P154 H155 W157 V203 Y216	L73-L77 WeakPolarHBondContact O-CG 3.29Å; L73-L77 PolarHBondContact O-N 3.45Å; Y74-L77 WeakPolarHBondContact O-CB 3.24Å; Y74-L77 PolarHBondContact O-N 3.31Å; N75-L77 VanDerWaalsContact C-N 3.31Å; L77-T79 PolarHBondContact O-N 2.93Å; L77-P154 HydrophobicContact CD1-CB 3.83Å; L77-H155 WeakPolarHBondContact CD1-O 3.4Å; L77-H155 VanDerWaalsContact CD2-O 3.25Å; L77-H155 WeakPolarHBondContact CD2-O 3.31Å; L77-W157 PolarHBondContact O-NE1 3.15Å; L77-V203 HydrophobicContact CB-CG1 3.64Å; L77-Y216 HydrophobicContact CD1-CE1 4.09Å; L77-Y216 WeakPolarHBondContact CD1-OH 3.33Å
78	V	97.5	Very high	93.2	Very high	22 Å²	22	77.7 Å²	77.7	13%	0.133	37%	0.373	C	S	.	.			trans	-56.3	126.9	-179.6	175.9	0	0	0	0	109.9	Y74 E80 Q82 V203	Y74-V78 HydrophobicContact CD1-CG2 4.29Å; Y74-V78 HydrophobicContact CE1-CG2 3.7Å; Y74-V78 HydrophobicContact CE2-CG2 4.02Å; Y74-V78 PolarHBondContact O-N 3.43Å; V78-E80 HydrophobicContact CG1-CB 3.86Å; V78-Q82 PolarHBondContact O-NE2 2.88Å; V78-V203 HydrophobicContact CG2-CG1 4.23Å
79	T	97.8	Very high	94	Very high	2 Å²	2	70.6 Å²	70.6	1%	0.012	34%	0.342	C	S	.	.			trans	-91.6	-16.9	-174.6	66.5	0	0	0	0	112.1	L77 F81 Q82 P85 Q86 I89 W112 W157 C201 D202	L77-T79 PolarHBondContact O-N 2.93Å; T79-F81 PolarHBondContact O-N 2.89Å; T79-F81 VanDerWaalsContact O-N 3.09Å; T79-Q82 PolarHBondContact O-N 3.42Å; T79-Q82 VanDerWaalsContact O-N 3.14Å; T79-P85 HydrophobicContact CG2-CB 4.31Å; T79-P85 HydrophobicContact CG2-CG 4.41Å; T79-Q86 PolarHBondContact O-NE2 3.46Å; T79-I89 HydrophobicContact CG2-CD1 3.99Å; T79-W112 HydrophobicContact CG2-CH2 3.88Å; T79-W112 HydrophobicContact CG2-CZ2 4.4Å; T79-W157 HydrophobicContact CG2-CZ2 4.08Å; T79-C201 WeakPolarHBondContact CB-O 3.05Å; T79-C201 WeakPolarHBondContact CG2-O 3.25Å; T79-C201 PolarHBondContact OG1-O 2.67Å; T79-D202 PolarHBondContact N-OD1 3.27Å; T79-D202 PolarHBondContact OG1-OD1 2.85Å
80	E	95.7	Very high	94.7	Very high	52 Å²	52	66.9 Å²	66.9	24%	0.243	32%	0.324	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	112.9	175.1	174	158.3	-125.7	0	0	111.2	V78 Q82 R121 R125	V78-E80 HydrophobicContact CG1-CB 3.86Å; E80-Q82 PolarHBondContact O-N 3.08Å; E80-R121 VanDerWaalsContact CG-NH1 3.27Å; E80-R121 IonicContact OE1-CZ 3.01Å; E80-R121 IonicContact OE1-NE 2.87Å; E80-R121 IonicContact OE1-NH1 3.9Å; E80-R121 PolarHBondContact OE1-NH1 2.8Å; E80-R121 IonicContact OE1-NH2 3.82Å; E80-R121 IonicContact OE2-NH1 3.53Å; E80-R125 IonicContact OE2-NH2 3.9Å; E80-R125 PolarHBondContact OE2-NH2 3.4Å
81	F	91.3	Very high	95.4	Very high	175 Å²	175	72.3 Å²	72.3	77%	0.768	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	10.6	-178.7	-45.8	-63.6	0	0	0	116.5	T79	T79-F81 PolarHBondContact O-N 2.89Å; T79-F81 VanDerWaalsContact O-N 3.09Å
82	Q	94.3	Very high	96	Very high	68 Å²	68	64.7 Å²	64.7	32%	0.318	32%	0.323	S	S	.	.			trans	-115.8	118.7	179.7	-62.5	-169.7	76	0	0	111	N75 V78 T79 E80 P85 Q86	N75-Q82 PolarHBondContact O-NE2 3.19Å; N75-Q82 PolarHBondContact O-OE1 3.31Å; V78-Q82 PolarHBondContact O-NE2 2.88Å; T79-Q82 PolarHBondContact O-N 3.42Å; T79-Q82 VanDerWaalsContact O-N 3.14Å; E80-Q82 PolarHBondContact O-N 3.08Å; Q82-P85 HydrophobicContact CB-CG 3.79Å; Q82-Q86 WeakPolarHBondContact O-CG 3.35Å; Q82-Q86 PolarHBondContact O-NE2 3.23Å
83	T	96	Very high	96.5	Very high	89 Å²	89	62.4 Å²	62.4	55%	0.546	30%	0.304	S	S	.	.	H	α-helix	trans	-78.2	-34.4	-178.8	57	0	0	0	0	112.9	Q86 E87	T83-Q86 WeakPolarHBondContact O-CA 3.24Å; T83-Q86 WeakPolarHBondContact O-CB 3.44Å; T83-Q86 PolarHBondContact O-N 3.01Å; T83-Q86 VanDerWaalsContact O-N 3.07Å; T83-E87 WeakPolarHBondContact O-CG 3Å; T83-E87 PolarHBondContact O-N 3.48Å
84	K	97.6	Very high	96.9	Very high	162 Å²	162	59.4 Å²	59.4	70%	0.704	29%	0.288	S	S	*	.	H	α-helix	trans	-54.7	-52.9	-176.9	-175.2	178.6	178.7	-177.1	0	114.2	Q86 E87 E88	K84-Q86 VanDerWaalsContact C-N 3.29Å; K84-Q86 PolarHBondContact O-N 3.48Å; K84-E87 PolarHBondContact O-N 2.88Å; K84-E88 PolarHBondContact O-N 3.17Å
85	P	98	Very high	97.1	Very high	3 Å²	3	60.2 Å²	60.2	2%	0.019	30%	0.298	C	S	.	.	H	α-helix	trans	-66.2	-31.3	176.6	25.7	-34.4	0	0	0	112.4	T79 Q82 E88 I89	T79-P85 HydrophobicContact CG2-CB 4.31Å; T79-P85 HydrophobicContact CG2-CG 4.41Å; Q82-P85 HydrophobicContact CB-CG 3.79Å; P85-E88 PolarHBondContact O-N 3.07Å; P85-I89 VanDerWaalsContact O-CD1 3.25Å; P85-I89 WeakPolarHBondContact O-CD1 3.41Å; P85-I89 WeakPolarHBondContact O-CG1 3.3Å; P85-I89 PolarHBondContact O-N 3Å
86	Q	98.6	Very high	97.4	Very high	37 Å²	37	58.3 Å²	58.3	17%	0.173	29%	0.288	C	S	.	.	H	α-helix	trans	-63.9	-47	176.2	-56.7	172.6	4.5	0	0	111.2	T79 Q82 T83 K84 I89 V90 W112	T79-Q86 PolarHBondContact O-NE2 3.46Å; Q82-Q86 WeakPolarHBondContact O-CG 3.35Å; Q82-Q86 PolarHBondContact O-NE2 3.23Å; T83-Q86 WeakPolarHBondContact O-CA 3.24Å; T83-Q86 WeakPolarHBondContact O-CB 3.44Å; T83-Q86 PolarHBondContact O-N 3.01Å; T83-Q86 VanDerWaalsContact O-N 3.07Å; K84-Q86 VanDerWaalsContact C-N 3.29Å; K84-Q86 PolarHBondContact O-N 3.48Å; Q86-I89 PolarHBondContact O-N 2.86Å; Q86-V90 WeakPolarHBondContact O-CG2 3.42Å; Q86-V90 PolarHBondContact O-N 2.78Å; Q86-W112 HydrophobicContact CB-CD2 3.71Å; Q86-W112 HydrophobicContact CB-CE3 3.91Å; Q86-W112 HydrophobicContact CB-CG 4.09Å; Q86-W112 HydrophobicContact CB-CH2 4.35Å; Q86-W112 HydrophobicContact CB-CZ2 4.21Å; Q86-W112 HydrophobicContact CB-CZ3 4.22Å; Q86-W112 VanDerWaalsContact CD-NE1 3.35Å; Q86-W112 HydrophobicContact CG-CD2 3.86Å; Q86-W112 VanDerWaalsContact CG-CE2 3.44Å; Q86-W112 HydrophobicContact CG-CE3 4.27Å; Q86-W112 HydrophobicContact CG-CG 4.4Å; Q86-W112 HydrophobicContact CG-CH2 3.92Å; Q86-W112 HydrophobicContact CG-CZ2 3.49Å; Q86-W112 VanDerWaalsContact CG-CZ2 3.49Å; Q86-W112 HydrophobicContact CG-CZ3 4.3Å
87	E	98.4	Very high	97.6	Very high	129 Å²	129	53.3 Å²	53.3	60%	0.603	26%	0.261	S	S	*	.	H	α-helix	trans	-63.5	-41.4	176.4	-71.7	169.6	-161.3	0	0	111.8	T83 K84 K91	T83-E87 WeakPolarHBondContact O-CG 3Å; T83-E87 PolarHBondContact O-N 3.48Å; K84-E87 PolarHBondContact O-N 2.88Å; E87-K91 WeakPolarHBondContact O-CB 3.4Å; E87-K91 PolarHBondContact O-N 3.05Å
88	E	98.4	Very high	97.7	Very high	59 Å²	59	56.4 Å²	56.4	28%	0.276	27%	0.272	S	S	.	.	H	α-helix	trans	-57.1	-51.1	174.8	-178.8	-175	157.8	0	0	111.1	K84 P85 K91 A92 T158	K84-E88 PolarHBondContact O-N 3.17Å; P85-E88 PolarHBondContact O-N 3.07Å; E88-K91 PolarHBondContact O-N 3.4Å; E88-A92 WeakPolarHBondContact O-CB 3.21Å; E88-A92 PolarHBondContact O-N 3.16Å; E88-T158 WeakPolarHBondContact OE1-CB 3.18Å; E88-T158 PolarHBondContact OE1-N 2.87Å; E88-T158 PolarHBondContact OE1-OG1 3.42Å
89	I	98.9	Very high	97.7	Very high	0 Å²	0	59.9 Å²	59.9	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.7	-53.1	-179.2	-68.3	159.8	0	0	0	110.6	T79 P85 Q86 K91 A92 H93 W112 W157 I161 I199 C201	T79-I89 HydrophobicContact CG2-CD1 3.99Å; P85-I89 VanDerWaalsContact O-CD1 3.25Å; P85-I89 WeakPolarHBondContact O-CD1 3.41Å; P85-I89 WeakPolarHBondContact O-CG1 3.3Å; P85-I89 PolarHBondContact O-N 3Å; Q86-I89 PolarHBondContact O-N 2.86Å; I89-K91 VanDerWaalsContact C-N 3.32Å; I89-K91 PolarHBondContact O-N 2.8Å; I89-A92 PolarHBondContact O-N 3.05Å; I89-H93 PolarHBondContact O-N 3.11Å; I89-H93 PolarHBondContact O-ND1 3.42Å; I89-W112 HydrophobicContact CB-CZ3 4.38Å; I89-W112 HydrophobicContact CD1-CH2 4.14Å; I89-W112 HydrophobicContact CD1-CZ3 3.84Å; I89-W112 HydrophobicContact CG2-CZ3 4.24Å; I89-W157 HydrophobicContact CD1-CB 4.43Å; I89-W157 HydrophobicContact CD1-CD2 3.51Å; I89-W157 HydrophobicContact CD1-CE3 3.97Å; I89-W157 HydrophobicContact CD1-CG 3.72Å; I89-W157 HydrophobicContact CD1-CZ2 4.16Å; I89-W157 HydrophobicContact CD1-CZ3 4.47Å; I89-W157 HydrophobicContact CG1-CB 3.74Å; I89-W157 HydrophobicContact CG1-CD2 3.69Å; I89-W157 HydrophobicContact CG1-CE3 4Å; I89-W157 HydrophobicContact CG1-CG 3.57Å; I89-I161 HydrophobicContact CB-CD1 4.36Å; I89-I161 HydrophobicContact CG1-CD1 4.33Å; I89-I161 HydrophobicContact CG2-CD1 4.29Å; I89-I199 HydrophobicContact CG2-CD1 3.8Å; I89-I199 HydrophobicContact CG2-CG1 4.48Å; I89-C201 HydrophobicContact CD1-CB 3.99Å
90	V	98.9	Very high	97.7	Very high	22 Å²	22	60.3 Å²	60.3	13%	0.133	30%	0.296	C	S	.	.	H	α-helix	trans	-62.1	-42.5	-178.1	170.9	0	0	0	0	110.9	Q86 N94 M110 W112 I199	Q86-V90 WeakPolarHBondContact O-CG2 3.42Å; Q86-V90 PolarHBondContact O-N 2.78Å; V90-N94 WeakPolarHBondContact CG1-ND2 3.31Å; V90-N94 WeakPolarHBondContact O-CB 3.35Å; V90-N94 PolarHBondContact O-N 2.8Å; V90-N94 PolarHBondContact O-ND2 3.03Å; V90-M110 WeakPolarHBondContact CG1-O 3.23Å; V90-W112 HydrophobicContact CG2-CB 3.95Å; V90-W112 HydrophobicContact CG2-CE3 4.1Å; V90-I199 HydrophobicContact CG2-CG2 3.77Å
91	K	98.7	Very high	97.8	Very high	150 Å²	150	67.3 Å²	67.3	65%	0.652	32%	0.322	S	S	*	.	H	α-helix	trans	-63.1	-47.8	178.6	-177.3	179.5	178.6	-178.8	0	111.1	E87 E88 I89 H93 N94 V95	E87-K91 WeakPolarHBondContact O-CB 3.4Å; E87-K91 PolarHBondContact O-N 3.05Å; E88-K91 PolarHBondContact O-N 3.4Å; I89-K91 VanDerWaalsContact C-N 3.32Å; I89-K91 PolarHBondContact O-N 2.8Å; K91-H93 PolarHBondContact O-N 2.75Å; K91-N94 PolarHBondContact O-N 2.93Å; K91-V95 WeakPolarHBondContact O-CG2 3.37Å; K91-V95 PolarHBondContact O-N 2.94Å
92	A	98.7	Very high	98.1	Very high	21 Å²	21	59.8 Å²	59.8	17%	0.174	29%	0.29	C	S	.	.	H	α-helix	trans	-60.3	-46.1	-179.6	0	0	0	0	0	111.5	E88 I89 N94 V95 L96 I161	E88-A92 WeakPolarHBondContact O-CB 3.21Å; E88-A92 PolarHBondContact O-N 3.16Å; I89-A92 PolarHBondContact O-N 3.05Å; A92-N94 PolarHBondContact O-N 2.86Å; A92-V95 PolarHBondContact O-N 3.43Å; A92-L96 WeakPolarHBondContact O-CG 3.11Å; A92-L96 PolarHBondContact O-N 3.16Å; A92-L96 VanDerWaalsContact O-N 3.14Å; A92-I161 HydrophobicContact CB-CD1 3.81Å; A92-I161 HydrophobicContact CB-CG2 4.14Å
93	H	98.9	Very high	98.4	Very high	1 Å²	1	59.6 Å²	59.6	1%	0.005	29%	0.294	C	S	.	.	H	α-helix	trans	-60.1	-47.8	175.6	-75.7	80.6	0	0	0	112.3	I89 K91 V95 L96 R97 M110 I199 Y220	I89-H93 PolarHBondContact O-N 3.11Å; I89-H93 PolarHBondContact O-ND1 3.42Å; K91-H93 PolarHBondContact O-N 2.75Å; H93-V95 VanDerWaalsContact C-N 3.28Å; H93-V95 PolarHBondContact O-N 2.65Å; H93-L96 PolarHBondContact O-N 3.22Å; H93-R97 WeakPolarHBondContact O-CB 3.42Å; H93-R97 WeakPolarHBondContact O-CG 3.4Å; H93-R97 PolarHBondContact O-N 2.03Å; H93-M110 HydrophobicContact CB-SD 3.71Å; H93-I199 WeakPolarHBondContact CE1-CD1 3.31Å; H93-Y220 AromaticContact CD2-CE1 3.9Å; H93-Y220 AromaticContact NE2-CE1 3.6Å; H93-Y220 AromaticContact NE2-CZ 3.9Å; H93-Y220 PolarHBondContact NE2-OH 3.02Å
94	N	98.9	Very high	98.5	Very high	6 Å²	6	55.6 Å²	55.6	3%	0.032	27%	0.27	C	S	.	.	H	α-helix	trans	-67.6	-25.8	-179.8	-76.4	-37.2	0	0	0	113.4	V90 K91 A92 R98 M110 L251	V90-N94 WeakPolarHBondContact CG1-ND2 3.31Å; V90-N94 WeakPolarHBondContact O-CB 3.35Å; V90-N94 PolarHBondContact O-N 2.8Å; V90-N94 PolarHBondContact O-ND2 3.03Å; K91-N94 PolarHBondContact O-N 2.93Å; A92-N94 PolarHBondContact O-N 2.86Å; N94-R98 VanDerWaalsContact O-CG 3.29Å; N94-R98 WeakPolarHBondContact O-CG 3.42Å; N94-R98 PolarHBondContact O-N 3.16Å; N94-R98 PolarHBondContact O-NH1 2.97Å; N94-M110 PolarHBondContact ND2-O 3.15Å; N94-M110 PolarHBondContact OD1-N 2.92Å; N94-L251 HydrophobicContact CB-CD1 3.9Å
95	V	98.6	Very high	98.6	Very high	71 Å²	71	51.2 Å²	51.2	43%	0.43	25%	0.249	S	C	.	.	H	α-helix	trans	-66.9	-50.6	170.3	167.6	0	0	0	0	109.8	K91 A92 H93 R97 R98 T99	K91-V95 WeakPolarHBondContact O-CG2 3.37Å; K91-V95 PolarHBondContact O-N 2.94Å; A92-V95 PolarHBondContact O-N 3.43Å; H93-V95 VanDerWaalsContact C-N 3.28Å; H93-V95 PolarHBondContact O-N 2.65Å; V95-R97 PolarHBondContact O-N 2.53Å; V95-R98 PolarHBondContact O-N 2.82Å; V95-T99 PolarHBondContact O-OG1 3.11Å
96	L	98.7	Very high	98.6	Very high	35 Å²	35	51.5 Å²	51.5	18%	0.183	25%	0.25	C	C	.	.	H	α-helix	trans	-63.3	-40.2	-178.8	-63.7	171.8	0	0	0	112.4	A92 H93 R98 T99 V100 I161 H165 M191	A92-L96 WeakPolarHBondContact O-CG 3.11Å; A92-L96 PolarHBondContact O-N 3.16Å; A92-L96 VanDerWaalsContact O-N 3.14Å; H93-L96 PolarHBondContact O-N 3.22Å; L96-R98 VanDerWaalsContact C-N 3.26Å; L96-R98 PolarHBondContact O-N 3.12Å; L96-T99 PolarHBondContact O-N 2.76Å; L96-T99 VanDerWaalsContact O-N 3.1Å; L96-T99 PolarHBondContact O-OG1 3.35Å; L96-T99 VanDerWaalsContact O-OG1 3.1Å; L96-V100 PolarHBondContact O-N 3.16Å; L96-I161 HydrophobicContact CD1-CG2 3.7Å; L96-H165 HydrophobicContact CD1-CB 4Å; L96-M191 HydrophobicContact CD1-CE 3.46Å; L96-M191 VanDerWaalsContact CD1-CE 3.46Å
97	R	98.9	Very high	98.6	Very high	3 Å²	3	49.8 Å²	49.8	1%	0.011	24%	0.242	C	C	.	.	H	α-helix	trans	-62.6	-29.4	177.9	-72.6	171.7	74	79.3	-4.5	113.4	H93 V95 T99 M107 L108 M191 W193 A194 L251	H93-R97 WeakPolarHBondContact O-CB 3.42Å; H93-R97 WeakPolarHBondContact O-CG 3.4Å; H93-R97 PolarHBondContact O-N 2.03Å; V95-R97 PolarHBondContact O-N 2.53Å; R97-T99 VanDerWaalsContact C-N 3.33Å; R97-M107 HydrophobicContact CB-CG 3.87Å; R97-M107 HydrophobicContact CB-SD 4.16Å; R97-M107 HydrophobicContact CG-CG 4.42Å; R97-M107 HydrophobicContact CG-SD 4.12Å; R97-M107 PolarHBondContact NH1-SD 3.2Å; R97-M107 PolarHBondContact NH2-SD 2.89Å; R97-L108 PolarHBondContact NE-O 2.85Å; R97-L108 PolarHBondContact NH2-O 3.44Å; R97-M191 PolarHBondContact NH1-O 3.33Å; R97-W193 PolarHBondContact NH1-O 3.08Å; R97-W193 PolarHBondContact NH2-O 3.23Å; R97-A194 PolarHBondContact NH2-O 3.19Å; R97-A194 VanDerWaalsContact NH2-O 3.11Å; R97-L251 HydrophobicContact CB-CD2 3.87Å
98	R	98.7	Very high	98.6	Very high	77 Å²	77	43.8 Å²	43.8	29%	0.291	21%	0.214	S	C	.	.	H	α-helix	trans	-74.5	-24.7	175.7	-74.8	176.5	-178.7	116.2	-14.3	113.2	N94 V95 L96 E249 L251	N94-R98 VanDerWaalsContact O-CG 3.29Å; N94-R98 WeakPolarHBondContact O-CG 3.42Å; N94-R98 PolarHBondContact O-N 3.16Å; N94-R98 PolarHBondContact O-NH1 2.97Å; V95-R98 PolarHBondContact O-N 2.82Å; L96-R98 VanDerWaalsContact C-N 3.26Å; L96-R98 PolarHBondContact O-N 3.12Å; R98-E249 WeakPolarHBondContact CD-O 3.43Å; R98-E249 WeakPolarHBondContact CG-O 3.3Å; R98-E249 PolarHBondContact NE-O 2.97Å; R98-E249 IonicContact NH2-OE1 3.34Å; R98-L251 HydrophobicContact CG-CD1 3.87Å; R98-L251 HydrophobicContact CG-CD2 3.87Å; R98-L251 HydrophobicContact CG-CG 3.61Å
99	T	97.7	Very high	98.7	Very high	96 Å²	96	44.7 Å²	44.7	59%	0.589	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	15.9	-169.9	58.9	0	0	0	0	113	V95 L96 R97	V95-T99 PolarHBondContact O-OG1 3.11Å; L96-T99 PolarHBondContact O-N 2.76Å; L96-T99 VanDerWaalsContact O-N 3.1Å; L96-T99 PolarHBondContact O-OG1 3.35Å; L96-T99 VanDerWaalsContact O-OG1 3.1Å; R97-T99 VanDerWaalsContact C-N 3.33Å
100	V	98.6	Very high	98.7	Very high	11 Å²	11	44.8 Å²	44.8	7%	0.067	22%	0.218	C	C	.	.			trans	-62.5	149.4	177.6	-61.9	0	0	0	0	111.4	L96 P102 A104 M107 V192 Y234	L96-V100 PolarHBondContact O-N 3.16Å; V100-P102 CarbonylContact C-O 3.29Å; V100-A104 HydrophobicContact CG2-CB 3.9Å; V100-M107 HydrophobicContact CG1-CE 4.03Å; V100-M107 HydrophobicContact CG2-CE 3.94Å; V100-V192 HydrophobicContact CG1-CB 3.92Å; V100-V192 HydrophobicContact CG1-CG1 3.58Å; V100-Y234 HydrophobicContact CB-CE1 3.97Å; V100-Y234 HydrophobicContact CG1-CE1 4.23Å; V100-Y234 HydrophobicContact CG2-CE1 4.05Å; V100-Y234 HydrophobicContact CG2-CE2 4.28Å
101	Y	97.3	Very high	98.6	Very high	199 Å²	199	46.2 Å²	46.2	78%	0.78	23%	0.228	S	C	*	.	S	Bend	trans	-129.5	128.9	173.5	-175.7	-95.3	0	0	0	110.3	Y234	Y101-Y234 VanDerWaalsContact C-OH 3.27Å; Y101-Y234 PolarHBondContact O-OH 2.83Å
102	P	98.4	Very high	98.6	Very high	16 Å²	16	41.7 Å²	41.7	10%	0.104	21%	0.207	C	C	.	.	S	Bend	cis	-63.5	166.9	-5.6	31.1	-36.1	0	0	0	112.4	V100 Y173 Y234 E236	V100-P102 CarbonylContact C-O 3.29Å; P102-Y173 HydrophobicContact CG-CD1 3.69Å; P102-Y173 HydrophobicContact CG-CD2 4Å; P102-Y173 HydrophobicContact CG-CE1 4.19Å; P102-Y173 HydrophobicContact CG-CE2 4.46Å; P102-Y173 HydrophobicContact CG-CG 3.59Å; P102-Y234 WeakPolarHBondContact CD-OH 3.44Å; P102-Y234 HydrophobicContact CG-CE2 4.36Å; P102-Y234 WeakPolarHBondContact O-CE2 3.29Å; P102-Y234 PolarHBondContact O-OH 2.99Å; P102-E236 HydrophobicContact CB-CG 3.9Å; P102-E236 HydrophobicContact CG-CB 4.25Å; P102-E236 HydrophobicContact CG-CG 3.97Å
103	T	98.8	Very high	98.6	Very high	65 Å²	65	42.4 Å²	42.4	40%	0.399	21%	0.208	S	C	.	.			trans	-67.9	149.4	-177.7	52.7	0	0	0	0	111.4	E236 G237 P239	T103-E236 WeakPolarHBondContact O-CA 3.33Å; T103-G237 CarbonylContact C-O 3.45Å; T103-G237 VanDerWaalsContact C-O 3.29Å; T103-G237 WeakPolarHBondContact CB-O 3.5Å; T103-G237 PolarHBondContact O-N 3.1Å; T103-G237 PolarHBondContact OG1-O 3.38Å; T103-P239 HydrophobicContact CG2-CG 4.38Å
104	A	98.9	Very high	98.6	Very high	5 Å²	5	49.7 Å²	49.7	4%	0.041	24%	0.24	C	C	.	.	B	Isolated β-bridge	trans	-104.4	130.1	-175.3	0	0	0	0	0	112.4	V100 M107 Y234 K235 P239	V100-A104 HydrophobicContact CG2-CB 3.9Å; A104-M107 HydrophobicContact CB-CB 3.78Å; A104-M107 HydrophobicContact CB-CE 3.76Å; A104-Y234 HydrophobicContact CB-CD1 4.5Å; A104-Y234 HydrophobicContact CB-CD2 3.44Å; A104-Y234 VanDerWaalsContact CB-CD2 3.44Å; A104-Y234 HydrophobicContact CB-CE2 4.05Å; A104-Y234 HydrophobicContact CB-CG 3.71Å; A104-K235 CarbonylContact C-O 3.48Å; A104-K235 VanDerWaalsContact CA-O 3.31Å; A104-K235 WeakPolarHBondContact CA-O 3.38Å; A104-P239 WeakPolarHBondContact O-CA 3.45Å
105	R	98.8	Very high	98.5	Very high	70 Å²	70	51.7 Å²	51.7	26%	0.264	26%	0.257	S	S	.	.	S	Bend	trans	-80	-21.2	175.7	53.9	-172.4	-84.9	151.4	0.6	115.4	K235 E236 S238 C240 E241 D242	R105-K235 HydrophobicContact CG-CB 3.54Å; R105-K235 WeakPolarHBondContact CG-O 3.38Å; R105-K235 PolarHBondContact N-O 3.16Å; R105-E236 VanDerWaalsContact CD-O 3.23Å; R105-E236 WeakPolarHBondContact CD-O 3.37Å; R105-S238 VanDerWaalsContact CA-O 3.26Å; R105-S238 WeakPolarHBondContact CA-O 3.28Å; R105-S238 WeakPolarHBondContact CB-O 3.4Å; R105-C240 CarbonylContact O-C 3.53Å; R105-C240 WeakPolarHBondContact O-CA 3.35Å; R105-E241 HydrophobicContact CB-CB 3.76Å; R105-E241 IonicContact CZ-OE1 3.69Å; R105-E241 IonicContact NH1-OE1 2.76Å; R105-E241 PolarHBondContact NH1-OE1 3.38Å; R105-E241 IonicContact NH1-OE2 2.66Å; R105-E241 IonicContact NH2-OE1 3.9Å; R105-E241 PolarHBondContact O-N 3.35Å; R105-D242 IonicContact CZ-OD1 3.13Å; R105-D242 IonicContact CZ-OD2 3.54Å; R105-D242 IonicContact NE-OD1 3.75Å; R105-D242 PolarHBondContact NE-OD1 2.7Å; R105-D242 IonicContact NE-OD2 2.71Å; R105-D242 PolarHBondContact NE-OD2 3.37Å; R105-D242 IonicContact NH2-OD1 3.62Å; R105-D242 PolarHBondContact NH2-OD1 3.43Å; R105-D242 IonicContact NH2-OD2 3.74Å; R105-D242 PolarHBondContact O-N 3.43Å; R105-D242 VanDerWaalsContact O-N 3.1Å
106	N	98.8	Very high	98.5	Very high	8 Å²	8	48.3 Å²	48.3	4%	0.043	24%	0.236	C	C	.	.	S	Bend	trans	-128	18.6	-169.7	71.6	-32.6	0	0	0	114.4	L108 K235 D242 I293	N106-L108 PolarHBondContact O-N 3.14Å; N106-K235 PolarHBondContact OD1-N 2.96Å; N106-D242 HydrophobicContact CB-CB 3.98Å; N106-I293 HydrophobicContact CB-CD1 4.1Å; N106-I293 HydrophobicContact CB-CG2 4.21Å
107	M	98.9	Very high	98.5	Very high	2 Å²	2	46.9 Å²	46.9	1%	0.01	23%	0.23	C	C	.	.			trans	-69.3	111.4	-174.7	-172.7	69.6	69.5	0	0	111.4	R97 V100 A104 V192 Y234 L251 C252	R97-M107 HydrophobicContact CB-CG 3.87Å; R97-M107 HydrophobicContact CB-SD 4.16Å; R97-M107 HydrophobicContact CG-CG 4.42Å; R97-M107 HydrophobicContact CG-SD 4.12Å; R97-M107 PolarHBondContact NH1-SD 3.2Å; R97-M107 PolarHBondContact NH2-SD 2.89Å; V100-M107 HydrophobicContact CG1-CE 4.03Å; V100-M107 HydrophobicContact CG2-CE 3.94Å; A104-M107 HydrophobicContact CB-CB 3.78Å; A104-M107 HydrophobicContact CB-CE 3.76Å; M107-V192 HydrophobicContact CE-CB 4.27Å; M107-V192 VanDerWaalsContact CE-O 3.29Å; M107-V192 WeakPolarHBondContact CE-O 3.3Å; M107-Y234 HydrophobicContact CE-CD1 3.44Å; M107-Y234 VanDerWaalsContact CE-CD1 3.44Å; M107-Y234 HydrophobicContact CE-CE1 4.15Å; M107-Y234 HydrophobicContact CE-CG 3.74Å; M107-L251 HydrophobicContact CB-CD2 4Å; M107-L251 HydrophobicContact CG-CD2 3.51Å; M107-L251 CarbonylContact O-C 3.59Å; M107-L251 VanDerWaalsContact O-CA 3.31Å; M107-L251 WeakPolarHBondContact O-CA 3.35Å; M107-C252 PolarHBondContact O-N 3.49Å
108	L	98.9	Very high	98.5	Very high	2 Å²	2	48.7 Å²	48.7	1%	0.01	24%	0.241	C	C	.	.	B	Isolated β-bridge	trans	-71	147.1	177.7	-72.5	164.3	0	0	0	112.5	R97 N106 A194 Y197 C252 P255 I293	R97-L108 PolarHBondContact NE-O 2.85Å; R97-L108 PolarHBondContact NH2-O 3.44Å; N106-L108 PolarHBondContact O-N 3.14Å; L108-A194 VanDerWaalsContact CB-O 3.23Å; L108-A194 WeakPolarHBondContact CB-O 3.25Å; L108-A194 WeakPolarHBondContact CG-O 3.09Å; L108-A194 PolarHBondContact N-O 3.43Å; L108-Y197 HydrophobicContact CD1-CD1 4.14Å; L108-Y197 HydrophobicContact CD1-CG 4.3Å; L108-C252 CarbonylContact C-O 3.35Å; L108-C252 WeakPolarHBondContact CA-O 3.26Å; L108-C252 HydrophobicContact CD2-CB 3.8Å; L108-C252 HydrophobicContact CG-CB 4.46Å; L108-P255 HydrophobicContact CD1-CB 3.9Å; L108-P255 HydrophobicContact CD2-CB 3.92Å; L108-I293 HydrophobicContact CD1-CB 4.04Å; L108-I293 HydrophobicContact CD1-CG2 4.02Å; L108-I293 HydrophobicContact CD2-CB 3.91Å; L108-I293 HydrophobicContact CD2-CG1 4.05Å; L108-I293 HydrophobicContact CG-CB 3.97Å; L108-I293 HydrophobicContact CG-CG1 4.4Å; L108-I293 HydrophobicContact CG-CG2 4.03Å
109	K	98.9	Very high	98.4	Very high	79 Å²	79	46.7 Å²	46.7	34%	0.343	24%	0.237	S	C	.	.	P	Polyproline II helix	trans	-71.4	126.9	167.3	-173.7	177.4	176.7	179.8	0	109.8	D248 L251 C252 T253	K109-D248 HydrophobicContact CD-CB 4.45Å; K109-D248 WeakPolarHBondContact CD-OD2 2.91Å; K109-D248 WeakPolarHBondContact CE-OD2 3.43Å; K109-D248 IonicContact NZ-OD2 3.71Å; K109-D248 PolarHBondContact NZ-OD2 3.37Å; K109-L251 HydrophobicContact CB-CB 3.85Å; K109-L251 HydrophobicContact CB-CD1 4.13Å; K109-L251 HydrophobicContact CG-CD1 4.12Å; K109-C252 PolarHBondContact N-O 2.94Å; K109-T253 HydrophobicContact CB-CG2 4.32Å; K109-T253 HydrophobicContact CD-CG2 4.25Å
110	M	98.8	Very high	98.5	Very high	2 Å²	2	42.1 Å²	42.1	1%	0.01	21%	0.208	C	C	.	.	P	Polyproline II helix	trans	-76.4	146.3	174.4	-77.5	-177.3	172.4	0	0	112	V90 H93 N94 S196 Y197 I199 Y220	V90-M110 WeakPolarHBondContact CG1-O 3.23Å; H93-M110 HydrophobicContact CB-SD 3.71Å; N94-M110 PolarHBondContact ND2-O 3.15Å; N94-M110 PolarHBondContact OD1-N 2.92Å; M110-S196 WeakPolarHBondContact CE-O 3.09Å; M110-S196 VanDerWaalsContact CG-O 3.3Å; M110-S196 WeakPolarHBondContact CG-O 3.07Å; M110-Y197 CarbonylContact C-O 3.52Å; M110-Y197 VanDerWaalsContact CA-O 3.25Å; M110-Y197 WeakPolarHBondContact CA-O 3.25Å; M110-I199 HydrophobicContact CB-CG2 4.46Å; M110-I199 HydrophobicContact SD-CB 4.43Å; M110-I199 HydrophobicContact SD-CD1 4.47Å; M110-Y220 HydrophobicContact CE-CD1 3.71Å; M110-Y220 HydrophobicContact CE-CE1 4.18Å
111	S	98.5	Very high	98.4	Very high	51 Å²	51	43.5 Å²	43.5	36%	0.357	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	154.2	174.3	62.1	0	0	0	0	111	Y197 L198 I199	S111-Y197 PolarHBondContact N-O 2.9Å; S111-Y197 PolarHBondContact OG-O 3.05Å; S111-L198 WeakPolarHBondContact O-CA 3.2Å; S111-L198 WeakPolarHBondContact OG-CD2 3.37Å; S111-I199 PolarHBondContact O-N 3.34Å
112	W	98.8	Very high	98.4	Very high	56 Å²	56	37.7 Å²	37.7	21%	0.212	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	133.3	-178.5	-173.4	-104	0	0	0	111.6	T79 Q86 I89 V90 A117 I199 C201	T79-W112 HydrophobicContact CG2-CH2 3.88Å; T79-W112 HydrophobicContact CG2-CZ2 4.4Å; Q86-W112 HydrophobicContact CB-CD2 3.71Å; Q86-W112 HydrophobicContact CB-CE3 3.91Å; Q86-W112 HydrophobicContact CB-CG 4.09Å; Q86-W112 HydrophobicContact CB-CH2 4.35Å; Q86-W112 HydrophobicContact CB-CZ2 4.21Å; Q86-W112 HydrophobicContact CB-CZ3 4.22Å; Q86-W112 VanDerWaalsContact CD-NE1 3.35Å; Q86-W112 HydrophobicContact CG-CD2 3.86Å; Q86-W112 VanDerWaalsContact CG-CE2 3.44Å; Q86-W112 HydrophobicContact CG-CE3 4.27Å; Q86-W112 HydrophobicContact CG-CG 4.4Å; Q86-W112 HydrophobicContact CG-CH2 3.92Å; Q86-W112 HydrophobicContact CG-CZ2 3.49Å; Q86-W112 VanDerWaalsContact CG-CZ2 3.49Å; Q86-W112 HydrophobicContact CG-CZ3 4.3Å; I89-W112 HydrophobicContact CB-CZ3 4.38Å; I89-W112 HydrophobicContact CD1-CH2 4.14Å; I89-W112 HydrophobicContact CD1-CZ3 3.84Å; I89-W112 HydrophobicContact CG2-CZ3 4.24Å; V90-W112 HydrophobicContact CG2-CB 3.95Å; V90-W112 HydrophobicContact CG2-CE3 4.1Å; W112-A117 HydrophobicContact CH2-CB 4.12Å; W112-A117 HydrophobicContact CZ2-CB 3.33Å; W112-I199 CarbonylContact C-O 3.5Å; W112-I199 WeakPolarHBondContact CA-O 3.43Å; W112-I199 HydrophobicContact CE3-CG2 4.43Å; W112-C201 HydrophobicContact CH2-CB 4.07Å; W112-C201 VanDerWaalsContact CH2-O 3.31Å; W112-C201 WeakPolarHBondContact CH2-O 3.42Å; W112-C201 HydrophobicContact CZ3-CB 4.27Å
113	N	98.3	Very high	98.4	Very high	35 Å²	35	37.6 Å²	37.6	19%	0.187	19%	0.192	C	C	.	.			trans	-118.7	118.3	173.9	-171.4	-72.6	0	0	0	111.3	A115 A116 A117 L198 I199	N113-A115 PolarHBondContact O-N 2.96Å; N113-A115 WeakPolarHBondContact OD1-CA 3.45Å; N113-A115 WeakPolarHBondContact OD1-CB 3.39Å; N113-A115 PolarHBondContact OD1-N 2.97Å; N113-A116 HydrophobicContact CB-CB 4.01Å; N113-A116 PolarHBondContact OD1-N 3.25Å; N113-A117 WeakPolarHBondContact O-CB 3.3Å; N113-A117 PolarHBondContact O-N 3.33Å; N113-L198 HydrophobicContact CB-CB 3.95Å; N113-L198 HydrophobicContact CB-CD2 4.19Å; N113-L198 HydrophobicContact CB-CG 4.46Å; N113-I199 PolarHBondContact N-O 2.8Å
114	K	97.8	Very high	98.3	Very high	155 Å²	155	34.5 Å²	34.5	67%	0.674	17%	0.173	S	C	*	.	H	α-helix	trans	-66.9	-32.8	-178	-174	178.3	178.6	-178	0	113.5	T118	K114-T118 WeakPolarHBondContact O-CB 3.45Å; K114-T118 PolarHBondContact O-N 3.08Å; K114-T118 PolarHBondContact O-OG1 3.27Å
115	A	97.7	Very high	98.2	Very high	47 Å²	47	41.3 Å²	41.3	39%	0.388	20%	0.198	S	C	.	.	H	α-helix	trans	-72.6	-45.2	179.7	0	0	0	0	0	110.6	N113 A117 T118 N119 L139	N113-A115 PolarHBondContact O-N 2.96Å; N113-A115 WeakPolarHBondContact OD1-CA 3.45Å; N113-A115 WeakPolarHBondContact OD1-CB 3.39Å; N113-A115 PolarHBondContact OD1-N 2.97Å; A115-A117 VanDerWaalsContact C-N 3.31Å; A115-A117 PolarHBondContact O-N 2.78Å; A115-T118 WeakPolarHBondContact O-CB 3.3Å; A115-T118 PolarHBondContact O-N 2.84Å; A115-T118 VanDerWaalsContact O-N 3.09Å; A115-N119 PolarHBondContact O-N 3.42Å; A115-L139 HydrophobicContact CB-CD2 3.68Å
116	A	98.4	Very high	97.9	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-56.6	-44.8	171.1	0	0	0	0	0	111.6	N113 T118 N119 A120 L139 H219	N113-A116 HydrophobicContact CB-CB 4.01Å; N113-A116 PolarHBondContact OD1-N 3.25Å; A116-T118 VanDerWaalsContact C-N 3.28Å; A116-T118 PolarHBondContact O-N 3.43Å; A116-N119 PolarHBondContact O-N 3.11Å; A116-A120 WeakPolarHBondContact O-CB 3.11Å; A116-A120 PolarHBondContact O-N 2.63Å; A116-L139 HydrophobicContact CB-CD1 4.38Å; A116-H219 HydrophobicContact CB-CB 4.25Å
117	A	98.6	Very high	97.7	Very high	6 Å²	6	45 Å²	45	5%	0.05	22%	0.216	C	C	.	.	H	α-helix	trans	-63.8	-33.9	177.2	0	0	0	0	0	112.8	W112 N113 A115 R121	W112-A117 HydrophobicContact CH2-CB 4.12Å; W112-A117 HydrophobicContact CZ2-CB 3.33Å; N113-A117 WeakPolarHBondContact O-CB 3.3Å; N113-A117 PolarHBondContact O-N 3.33Å; A115-A117 VanDerWaalsContact C-N 3.31Å; A115-A117 PolarHBondContact O-N 2.78Å; A117-R121 VanDerWaalsContact O-CB 3.31Å; A117-R121 WeakPolarHBondContact O-CB 2.9Å; A117-R121 PolarHBondContact O-N 3.48Å
118	T	98.1	Very high	97.4	Very high	41 Å²	41	48 Å²	48	25%	0.252	23%	0.232	S	C	.	.	H	α-helix	trans	-66	-44	175.1	-63.2	0	0	0	0	111.1	K114 A115 A116 R121 I122	K114-T118 WeakPolarHBondContact O-CB 3.45Å; K114-T118 PolarHBondContact O-N 3.08Å; K114-T118 PolarHBondContact O-OG1 3.27Å; A115-T118 WeakPolarHBondContact O-CB 3.3Å; A115-T118 PolarHBondContact O-N 2.84Å; A115-T118 VanDerWaalsContact O-N 3.09Å; A116-T118 VanDerWaalsContact C-N 3.28Å; A116-T118 PolarHBondContact O-N 3.43Å; T118-R121 PolarHBondContact O-N 3.06Å; T118-I122 HydrophobicContact CG2-CD1 4.13Å; T118-I122 WeakPolarHBondContact O-CG1 3.09Å; T118-I122 PolarHBondContact O-N 3.01Å; T118-I122 VanDerWaalsContact O-N 3.08Å
119	N	98	Very high	97	Very high	35 Å²	35	52 Å²	52	19%	0.187	25%	0.252	C	S	.	.	H	α-helix	trans	-64.3	-46.7	175.8	-67.9	-2.8	0	0	0	111	A115 A116 R121 I122 L123 E136	A115-N119 PolarHBondContact O-N 3.42Å; A116-N119 PolarHBondContact O-N 3.11Å; N119-R121 VanDerWaalsContact C-N 3.3Å; N119-R121 PolarHBondContact O-N 2.81Å; N119-I122 PolarHBondContact O-N 3.29Å; N119-I122 VanDerWaalsContact O-N 3.12Å; N119-L123 PolarHBondContact O-N 2.98Å; N119-E136 PolarHBondContact ND2-O 3.01Å
120	A	98.4	Very high	96.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-56.6	-42.3	176.6	0	0	0	0	0	112.3	A116 L123 A124 V217 H219	A116-A120 WeakPolarHBondContact O-CB 3.11Å; A116-A120 PolarHBondContact O-N 2.63Å; A120-L123 PolarHBondContact O-N 3.27Å; A120-A124 VanDerWaalsContact O-CB 3.32Å; A120-A124 WeakPolarHBondContact O-CB 3.46Å; A120-A124 PolarHBondContact O-N 2.73Å; A120-V217 HydrophobicContact CB-CB 4.17Å; A120-V217 HydrophobicContact CB-CG1 3.82Å; A120-H219 PolarHBondContact N-ND1 3.21Å
121	R	98.2	Very high	96.2	Very high	40 Å²	40	58.7 Å²	58.7	15%	0.151	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-43.1	175.1	-179.1	178.2	63.2	-153.2	2	113.4	E80 A117 T118 N119 L123 R125 D202	E80-R121 VanDerWaalsContact CG-NH1 3.27Å; E80-R121 IonicContact OE1-CZ 3.01Å; E80-R121 IonicContact OE1-NE 2.87Å; E80-R121 IonicContact OE1-NH1 3.9Å; E80-R121 PolarHBondContact OE1-NH1 2.8Å; E80-R121 IonicContact OE1-NH2 3.82Å; E80-R121 IonicContact OE2-NH1 3.53Å; A117-R121 VanDerWaalsContact O-CB 3.31Å; A117-R121 WeakPolarHBondContact O-CB 2.9Å; A117-R121 PolarHBondContact O-N 3.48Å; T118-R121 PolarHBondContact O-N 3.06Å; N119-R121 VanDerWaalsContact C-N 3.3Å; N119-R121 PolarHBondContact O-N 2.81Å; R121-L123 VanDerWaalsContact C-N 3.34Å; R121-R125 VanDerWaalsContact O-CG 3.28Å; R121-R125 WeakPolarHBondContact O-CG 3.34Å; R121-R125 PolarHBondContact O-N 2.96Å; R121-D202 HydrophobicContact CB-CB 3.68Å; R121-D202 VanDerWaalsContact CB-OD2 3.26Å; R121-D202 WeakPolarHBondContact CB-OD2 3.45Å; R121-D202 WeakPolarHBondContact CD-OD2 3.41Å; R121-D202 HydrophobicContact CG-CB 4.27Å; R121-D202 WeakPolarHBondContact CG-OD2 3.3Å
122	I	97.1	Very high	95.8	Very high	76 Å²	76	56.9 Å²	56.9	39%	0.39	28%	0.284	S	S	.	.	H	α-helix	trans	-60.6	-49.6	177.5	-70.5	164.7	0	0	0	108.9	T118 N119 R125 Y126	T118-I122 HydrophobicContact CG2-CD1 4.13Å; T118-I122 WeakPolarHBondContact O-CG1 3.09Å; T118-I122 PolarHBondContact O-N 3.01Å; T118-I122 VanDerWaalsContact O-N 3.08Å; N119-I122 PolarHBondContact O-N 3.29Å; N119-I122 VanDerWaalsContact O-N 3.12Å; I122-R125 PolarHBondContact O-N 3.14Å; I122-Y126 HydrophobicContact CG2-CE2 4.36Å
123	L	96.9	Very high	95.6	Very high	14 Å²	14	57.8 Å²	57.8	7%	0.073	29%	0.293	C	S	.	.	H	α-helix	trans	-61.8	-46.7	179.5	-177.7	63.8	0	0	0	112.4	N119 A120 R121 R125 Y126 E146 V217	N119-L123 PolarHBondContact O-N 2.98Å; A120-L123 PolarHBondContact O-N 3.27Å; R121-L123 VanDerWaalsContact C-N 3.34Å; L123-R125 PolarHBondContact O-N 3.09Å; L123-R125 VanDerWaalsContact O-N 3.17Å; L123-Y126 HydrophobicContact CD1-CD2 4.02Å; L123-Y126 WeakPolarHBondContact O-CB 3Å; L123-Y126 PolarHBondContact O-N 3.3Å; L123-E146 WeakPolarHBondContact CD2-OE2 3.36Å; L123-V217 HydrophobicContact CD2-CG1 4Å
124	A	97.3	Very high	95.3	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-55.7	-36.8	178.8	0	0	0	0	0	111.7	A120 Y126 C127 A204 V217	A120-A124 VanDerWaalsContact O-CB 3.32Å; A120-A124 WeakPolarHBondContact O-CB 3.46Å; A120-A124 PolarHBondContact O-N 2.73Å; A124-Y126 VanDerWaalsContact C-N 3.3Å; A124-Y126 PolarHBondContact O-N 3.21Å; A124-C127 PolarHBondContact O-N 3.34Å; A124-A204 HydrophobicContact CB-CB 3.69Å; A124-A204 WeakPolarHBondContact O-CB 3.26Å; A124-V217 HydrophobicContact CB-CB 4.36Å; A124-V217 HydrophobicContact CB-CG2 3.74Å
125	R	96.2	Very high	95.1	Very high	149 Å²	149	57.5 Å²	57.5	56%	0.562	30%	0.302	S	S	*	.	H	α-helix	trans	-70.4	-19.4	-179.9	-73.8	172.6	178.2	174.4	2.9	114.2	E80 R121 I122 L123 C127 A204	E80-R125 IonicContact OE2-NH2 3.9Å; E80-R125 PolarHBondContact OE2-NH2 3.4Å; R121-R125 VanDerWaalsContact O-CG 3.28Å; R121-R125 WeakPolarHBondContact O-CG 3.34Å; R121-R125 PolarHBondContact O-N 2.96Å; I122-R125 PolarHBondContact O-N 3.14Å; L123-R125 PolarHBondContact O-N 3.09Å; L123-R125 VanDerWaalsContact O-N 3.17Å; R125-C127 PolarHBondContact O-N 3.09Å; R125-A204 HydrophobicContact CG-CB 4.27Å
126	Y	94.4	Very high	94.9	Very high	131 Å²	131	59.8 Å²	59.8	51%	0.514	30%	0.304	S	S	.	.	H	α-helix	trans	-66.9	-20.8	168.7	-64.3	-38.8	0	0	0	112.1	I122 L123 A124 D128	I122-Y126 HydrophobicContact CG2-CE2 4.36Å; L123-Y126 HydrophobicContact CD1-CD2 4.02Å; L123-Y126 WeakPolarHBondContact O-CB 3Å; L123-Y126 PolarHBondContact O-N 3.3Å; A124-Y126 VanDerWaalsContact C-N 3.3Å; A124-Y126 PolarHBondContact O-N 3.21Å; Y126-D128 PolarHBondContact O-N 2.99Å
127	C	94.6	Very high	94.7	Very high	24 Å²	24	61.7 Å²	61.7	16%	0.162	31%	0.312	C	S	.	.			trans	56.1	37.3	176.5	-72.8	0	0	0	0	112.4	A124 R125 C206 R208	A124-C127 PolarHBondContact O-N 3.34Å; R125-C127 PolarHBondContact O-N 3.09Å; C127-C206 WeakPolarHBondContact CA-SG 3.38Å; C127-C206 HydrophobicContact CB-CB 3.52Å; C127-C206 WeakPolarHBondContact CB-SG 3.38Å; C127-C206 WeakPolarHBondContact SG-CA 3.46Å; C127-C206 WeakPolarHBondContact SG-CB 3.4Å; C127-C206 CovalentContact SG-SG 2.03Å; C127-C206 PolarHBondContact SG-SG 3.38Å; C127-R208 PolarHBondContact O-NE 2.84Å; C127-R208 PolarHBondContact O-NH2 3.25Å
128	D	90.9	Very high	94.5	Very high	66 Å²	66	65.8 Å²	65.8	35%	0.353	33%	0.326	S	S	.	.			trans	-125.5	142.1	-177.4	-167.1	8.6	0	0	0	110.5	Y126 S130 R148	Y126-D128 PolarHBondContact O-N 2.99Å; D128-S130 PolarHBondContact OD1-N 3.39Å; D128-S130 VanDerWaalsContact OD1-N 3.17Å; D128-S130 WeakPolarHBondContact OD2-CB 3.22Å; D128-S130 PolarHBondContact OD2-OG 3.43Å; D128-R148 PolarHBondContact O-NH1 3.02Å
129	M	91.4	Very high	94.4	Very high	86 Å²	86	64.9 Å²	64.9	42%	0.424	32%	0.319	S	S	.	.			trans	-101.4	0.4	178.9	-70.6	-63.1	-66.5	0	0	112.2	R148 L150 L215	M129-R148 HydrophobicContact CE-CB 4.24Å; M129-R148 PolarHBondContact O-NH2 3.36Å; M129-R148 HydrophobicContact SD-CB 4.49Å; M129-L150 HydrophobicContact CG-CB 4.39Å; M129-L150 HydrophobicContact CG-CD2 4Å; M129-L150 HydrophobicContact SD-CB 3.95Å; M129-L215 HydrophobicContact SD-CD1 3.44Å; M129-L215 WeakPolarHBondContact SD-CD1 3.17Å
130	S	91.6	Very high	93.9	Very high	66 Å²	66	70.7 Å²	70.7	46%	0.462	35%	0.35	S	S	.	.	S	Bend	trans	-59.5	157.4	168.8	66.3	0	0	0	0	111.5	D128 S132 R148	D128-S130 PolarHBondContact OD1-N 3.39Å; D128-S130 VanDerWaalsContact OD1-N 3.17Å; D128-S130 WeakPolarHBondContact OD2-CB 3.22Å; D128-S130 PolarHBondContact OD2-OG 3.43Å; S130-S132 PolarHBondContact O-N 2.03Å; S130-R148 VanDerWaalsContact O-CZ 3.29Å; S130-R148 PolarHBondContact O-NH1 2.89Å; S130-R148 PolarHBondContact O-NH2 2.63Å
131	D	89.2	Confident	93.3	Very high	154 Å²	154	74.9 Å²	74.9	82%	0.824	37%	0.37	S	S	*	.	P	Polyproline II helix	trans	-59.4	134.3	-177.6	-65.4	-30.8	0	0	0	112
132	S	91.1	Very high	93.1	Very high	13 Å²	13	73.4 Å²	73.4	9%	0.091	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-79.9	144.8	175.2	62.4	0	0	0	0	111.3	S130 P134 R137 E146	S130-S132 PolarHBondContact O-N 2.03Å; S132-P134 WeakPolarHBondContact O-CD 3.46Å; S132-R137 WeakPolarHBondContact OG-CD 3.22Å; S132-R137 PolarHBondContact OG-NE 3.22Å; S132-R137 VanDerWaalsContact OG-NE 3.08Å; S132-E146 PolarHBondContact OG-OE1 3.09Å; S132-E146 PolarHBondContact OG-OE2 2.88Å
133	D	93.8	Very high	93	Very high	76 Å²	76	71.6 Å²	71.6	41%	0.406	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-66.9	122	174	-175.6	-16.9	0	0	0	109.4	L135 E136	D133-L135 PolarHBondContact O-N 2.83Å; D133-L135 VanDerWaalsContact O-N 3.1Å; D133-L135 VanDerWaalsContact OD1-CB 3.31Å; D133-L135 WeakPolarHBondContact OD1-CB 3.39Å; D133-L135 WeakPolarHBondContact OD1-CG 3.39Å; D133-L135 PolarHBondContact OD1-N 3.37Å; D133-E136 HydrophobicContact CB-CB 4.44Å; D133-E136 HydrophobicContact CB-CG 3.99Å; D133-E136 WeakPolarHBondContact O-CB 3.33Å; D133-E136 PolarHBondContact O-N 3.27Å
134	P	91.9	Very high	93	Very high	69 Å²	69	71.1 Å²	71.1	45%	0.448	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-54.4	-27.6	175.6	-25.7	35.1	0	0	0	114	S132 E136 R137 R138	S132-P134 WeakPolarHBondContact O-CD 3.46Å; P134-E136 VanDerWaalsContact C-N 3.33Å; P134-R137 PolarHBondContact O-N 2.83Å; P134-R138 PolarHBondContact O-N 2.66Å
135	L	92.9	Very high	93	Very high	114 Å²	114	71.3 Å²	71.3	60%	0.597	36%	0.355	S	S	*	.	G	3₁₀ helix	trans	-68.2	-31.9	176.1	-62.5	178.4	0	0	0	112.4	D133 R137 R138 F143	D133-L135 PolarHBondContact O-N 2.83Å; D133-L135 VanDerWaalsContact O-N 3.1Å; D133-L135 VanDerWaalsContact OD1-CB 3.31Å; D133-L135 WeakPolarHBondContact OD1-CB 3.39Å; D133-L135 WeakPolarHBondContact OD1-CG 3.39Å; D133-L135 PolarHBondContact OD1-N 3.37Å; L135-R137 PolarHBondContact O-N 3.36Å; L135-R138 WeakPolarHBondContact O-CB 3.46Å; L135-R138 PolarHBondContact O-N 3.21Å; L135-F143 HydrophobicContact CD2-CE1 4.23Å
136	E	93.1	Very high	93.1	Very high	95 Å²	95	65.9 Å²	65.9	44%	0.444	34%	0.336	S	S	.	.	G	3₁₀ helix	trans	-71.4	-17.2	174.6	-67.2	-175.6	159.9	0	0	112.3	N119 D133 P134	N119-E136 PolarHBondContact ND2-O 3.01Å; D133-E136 HydrophobicContact CB-CB 4.44Å; D133-E136 HydrophobicContact CB-CG 3.99Å; D133-E136 WeakPolarHBondContact O-CB 3.33Å; D133-E136 PolarHBondContact O-N 3.27Å; P134-E136 VanDerWaalsContact C-N 3.33Å
137	R	95.3	Very high	93.3	Very high	41 Å²	41	59.8 Å²	59.8	16%	0.155	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-97	-2.5	177.3	-60	-171.6	-82.3	145.3	-13.4	113.3	S132 P134 L135 C144 E146 H219	S132-R137 WeakPolarHBondContact OG-CD 3.22Å; S132-R137 PolarHBondContact OG-NE 3.22Å; S132-R137 VanDerWaalsContact OG-NE 3.08Å; P134-R137 PolarHBondContact O-N 2.83Å; L135-R137 PolarHBondContact O-N 3.36Å; R137-C144 HydrophobicContact CB-CB 4.33Å; R137-C144 PolarHBondContact NH1-O 3.07Å; R137-C144 VanDerWaalsContact O-CB 3.31Å; R137-C144 WeakPolarHBondContact O-CB 3.44Å; R137-C144 PolarHBondContact O-SG 2.87Å; R137-E146 WeakPolarHBondContact CD-OE2 3.25Å; R137-H219 WeakPolarHBondContact CD-NE2 3.43Å
138	R	94.9	Very high	93.5	Very high	91 Å²	91	60 Å²	60	34%	0.343	31%	0.309	S	S	.	.			trans	-72.3	141	-178.4	-174.2	174.4	178.5	147.4	7.4	111.9	P134 L135 F143 E261	P134-R138 PolarHBondContact O-N 2.66Å; L135-R138 WeakPolarHBondContact O-CB 3.46Å; L135-R138 PolarHBondContact O-N 3.21Å; R138-F143 HydrophobicContact CB-CD1 4.01Å; R138-F143 HydrophobicContact CB-CE1 4.09Å; R138-F143 HydrophobicContact CG-CD1 4.11Å; R138-F143 HydrophobicContact CG-CE1 4.03Å; R138-F143 HydrophobicContact CG-CG 4.49Å; R138-F143 HydrophobicContact CG-CZ 4.33Å; R138-E261 IonicContact CZ-OE1 3.87Å; R138-E261 IonicContact NH1-OE2 3.5Å; R138-E261 IonicContact NH2-OE1 3.34Å; R138-E261 PolarHBondContact NH2-OE1 2.87Å; R138-E261 IonicContact NH2-OE2 3.77Å
139	L	94.9	Very high	93.8	Very high	23 Å²	23	58.6 Å²	58.6	12%	0.12	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-111.9	171.4	164.8	-51.7	-177.7	0	0	0	109.8	A115 A116 E141 T142 C221	A115-L139 HydrophobicContact CB-CD2 3.68Å; A116-L139 HydrophobicContact CB-CD1 4.38Å; L139-E141 VanDerWaalsContact C-N 3.26Å; L139-E141 PolarHBondContact O-N 2.97Å; L139-E141 VanDerWaalsContact O-N 3.11Å; L139-T142 HydrophobicContact CB-CG2 3.71Å; L139-T142 HydrophobicContact CD1-CG2 3.94Å; L139-T142 HydrophobicContact CG-CG2 4.11Å; L139-T142 PolarHBondContact N-O 3.34Å; L139-T142 PolarHBondContact O-N 3.14Å; L139-C221 HydrophobicContact CD1-CB 4.48Å
140	N	87.7	Confident	94	Very high	157 Å²	157	58 Å²	58	84%	0.84	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.4	-40.9	-173.5	-73.9	6.1	0	0	0	114.2
141	E	85.6	Confident	94.2	Very high	88 Å²	88	57 Å²	57	41%	0.411	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	23.2	-173.9	-59.3	-79.6	158.6	0	0	111.8	L139 Y259 K284	L139-E141 VanDerWaalsContact C-N 3.26Å; L139-E141 PolarHBondContact O-N 2.97Å; L139-E141 VanDerWaalsContact O-N 3.11Å; E141-Y259 WeakPolarHBondContact O-CB 3.38Å; E141-K284 IonicContact OE1-NZ 3.79Å; E141-K284 PolarHBondContact OE1-NZ 3.09Å; E141-K284 IonicContact OE2-NZ 2.67Å; E141-K284 PolarHBondContact OE2-NZ 3.49Å
142	T	93.4	Very high	94.3	Very high	8 Å²	8	55.2 Å²	55.2	5%	0.049	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-166.7	155.2	-179.3	-178.8	0	0	0	0	112.9	L139 C221 H222	L139-T142 HydrophobicContact CB-CG2 3.71Å; L139-T142 HydrophobicContact CD1-CG2 3.94Å; L139-T142 HydrophobicContact CG-CG2 4.11Å; L139-T142 PolarHBondContact N-O 3.34Å; L139-T142 PolarHBondContact O-N 3.14Å; T142-C221 HydrophobicContact CG2-CB 3.76Å; T142-H222 VanDerWaalsContact CB-ND1 3.3Å; T142-H222 WeakPolarHBondContact CB-ND1 3.28Å; T142-H222 WeakPolarHBondContact OG1-CA 3.32Å; T142-H222 PolarHBondContact OG1-CE1 3.36Å; T142-H222 PolarHBondContact OG1-ND1 3.1Å
143	F	95.2	Very high	94.3	Very high	39 Å²	39	61.3 Å²	61.3	17%	0.171	30%	0.297	C	S	.	.			trans	-92.6	164.6	158	-70.8	-95	0	0	0	110.6	L135 R138 E223 Y259	L135-F143 HydrophobicContact CD2-CE1 4.23Å; R138-F143 HydrophobicContact CB-CD1 4.01Å; R138-F143 HydrophobicContact CB-CE1 4.09Å; R138-F143 HydrophobicContact CG-CD1 4.11Å; R138-F143 HydrophobicContact CG-CE1 4.03Å; R138-F143 HydrophobicContact CG-CG 4.49Å; R138-F143 HydrophobicContact CG-CZ 4.33Å; F143-E223 HydrophobicContact CB-CG 4.48Å; F143-E223 VanDerWaalsContact CB-OE2 3.23Å; F143-E223 WeakPolarHBondContact CB-OE2 3.44Å; F143-E223 PolarHBondContact O-N 3Å; F143-Y259 HydrophobicContact CD2-CD1 4.4Å; F143-Y259 AromaticContact CD2-CE1 3.68Å; F143-Y259 HydrophobicContact CD2-CE1 3.68Å; F143-Y259 AromaticContact CD2-CZ 3.92Å; F143-Y259 HydrophobicContact CE2-CE1 4.08Å
144	C	97.9	Very high	94.4	Very high	3 Å²	3	58.3 Å²	58.3	2%	0.02	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	136.3	179.9	-53.4	0	0	0	0	111	R137 H219 Y220 C221	R137-C144 HydrophobicContact CB-CB 4.33Å; R137-C144 PolarHBondContact NH1-O 3.07Å; R137-C144 VanDerWaalsContact O-CB 3.31Å; R137-C144 WeakPolarHBondContact O-CB 3.44Å; R137-C144 PolarHBondContact O-SG 2.87Å; C144-H219 HydrophobicContact CB-CB 4.15Å; C144-Y220 CarbonylContact C-O 3.56Å; C144-Y220 WeakPolarHBondContact CA-O 3.25Å; C144-Y220 WeakPolarHBondContact CB-O 3.46Å; C144-C221 HydrophobicContact CB-CB 4.02Å; C144-C221 WeakPolarHBondContact CB-SG 3.16Å; C144-C221 WeakPolarHBondContact SG-CB 3.29Å; C144-C221 CovalentContact SG-SG 2.03Å; C144-C221 PolarHBondContact SG-SG 2.84Å
145	G	97.9	Very high	94.5	Very high	5 Å²	5	57.1 Å²	57.1	5%	0.052	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	-178.7	168.3	0	0	0	0	0	111.6	H219 Y220 E223	G145-H219 VanDerWaalsContact O-CA 3.25Å; G145-H219 WeakPolarHBondContact O-CA 3.44Å; G145-Y220 PolarHBondContact N-O 2.87Å; G145-Y220 PolarHBondContact O-N 3.12Å; G145-Y220 VanDerWaalsContact O-N 3.13Å; G145-E223 VanDerWaalsContact N-CB 3.26Å
146	E	98.3	Very high	94.7	Very high	35 Å²	35	54.4 Å²	54.4	16%	0.164	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.3	134.4	-172.4	176.3	172.5	104	0	0	112.4	L123 S132 R137 R148 V217 C218 H219	L123-E146 WeakPolarHBondContact CD2-OE2 3.36Å; S132-E146 PolarHBondContact OG-OE1 3.09Å; S132-E146 PolarHBondContact OG-OE2 2.88Å; R137-E146 WeakPolarHBondContact CD-OE2 3.25Å; E146-R148 HydrophobicContact CG-CG 3.74Å; E146-R148 WeakPolarHBondContact OE1-CD 3.5Å; E146-R148 IonicContact OE1-CZ 3.55Å; E146-R148 IonicContact OE1-NE 3.97Å; E146-R148 PolarHBondContact OE1-NE 3.39Å; E146-R148 IonicContact OE1-NH1 3.6Å; E146-R148 IonicContact OE1-NH2 2.85Å; E146-V217 HydrophobicContact CG-CG1 4.45Å; E146-C218 CarbonylContact C-O 3.44Å; E146-C218 VanDerWaalsContact CA-O 3.29Å; E146-C218 WeakPolarHBondContact CA-O 3.36Å; E146-H219 IonicContact OE2-CD2 2.78Å; E146-H219 IonicContact OE2-NE2 2.95Å; E146-H219 PolarHBondContact OE2-NE2 2.98Å
147	N	98.5	Very high	95	Very high	2 Å²	2	49.9 Å²	49.9	1%	0.011	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	143.2	159.3	-70.8	1.3	0	0	0	109.2	W164 H187 C218 Y220	N147-W164 HydrophobicContact CB-CD2 3.87Å; N147-W164 HydrophobicContact CB-CE3 4.06Å; N147-W164 HydrophobicContact CB-CH2 3.89Å; N147-W164 HydrophobicContact CB-CZ2 3.68Å; N147-W164 HydrophobicContact CB-CZ3 4.08Å; N147-H187 PolarHBondContact ND2-O 3.31Å; N147-C218 PolarHBondContact N-O 2.87Å; N147-C218 PolarHBondContact O-N 3.16Å; N147-Y220 HydrophobicContact CB-CE2 3.73Å; N147-Y220 PolarHBondContact ND2-OH 2.97Å; N147-Y220 VanDerWaalsContact ND2-OH 3.17Å
148	R	97.7	Very high	95.1	Very high	29 Å²	29	51.2 Å²	51.2	11%	0.109	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	153.7	176.7	-61.8	-171.7	-69.8	-173.7	-5.5	111.6	D128 M129 S130 E146 W164 L215 Y216 V217	D128-R148 PolarHBondContact O-NH1 3.02Å; M129-R148 HydrophobicContact CE-CB 4.24Å; M129-R148 PolarHBondContact O-NH2 3.36Å; M129-R148 HydrophobicContact SD-CB 4.49Å; S130-R148 VanDerWaalsContact O-CZ 3.29Å; S130-R148 PolarHBondContact O-NH1 2.89Å; S130-R148 PolarHBondContact O-NH2 2.63Å; E146-R148 HydrophobicContact CG-CG 3.74Å; E146-R148 WeakPolarHBondContact OE1-CD 3.5Å; E146-R148 IonicContact OE1-CZ 3.55Å; E146-R148 IonicContact OE1-NE 3.97Å; E146-R148 PolarHBondContact OE1-NE 3.39Å; E146-R148 IonicContact OE1-NH1 3.6Å; E146-R148 IonicContact OE1-NH2 2.85Å; R148-W164 PolarHBondContact O-NE1 3.23Å; R148-L215 HydrophobicContact CB-CD1 4.4Å; R148-Y216 VanDerWaalsContact CA-O 3.24Å; R148-Y216 WeakPolarHBondContact CA-O 3.14Å; R148-V217 HydrophobicContact CG-CG1 4.44Å; R148-V217 HydrophobicContact CG-CG2 4.14Å
149	H	97.3	Very high	95.2	Very high	37 Å²	37	49.7 Å²	49.7	17%	0.171	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	138.4	170.8	-170.5	80.4	0	0	0	109.7	I160 W164 L215 Y216	H149-I160 HydrophobicContact CB-CD1 4.26Å; H149-I160 HydrophobicContact CB-CG2 4.15Å; H149-I160 WeakPolarHBondContact CD2-CD1 3.47Å; H149-W164 HydrophobicContact CB-CZ2 4.12Å; H149-L215 WeakPolarHBondContact O-CA 3.4Å; H149-L215 WeakPolarHBondContact O-CD1 3.36Å; H149-Y216 HydrophobicContact CB-CD2 4.35Å; H149-Y216 PolarHBondContact N-O 2.93Å; H149-Y216 WeakPolarHBondContact O-CD2 3.25Å; H149-Y216 PolarHBondContact O-N 3.3Å
150	L	96.1	Very high	95.4	Very high	74 Å²	74	48.6 Å²	48.6	39%	0.387	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.3	178	-176.2	73.4	0	0	0	109.1	M129 F214 L215	M129-L150 HydrophobicContact CG-CB 4.39Å; M129-L150 HydrophobicContact CG-CD2 4Å; M129-L150 HydrophobicContact SD-CB 3.95Å; L150-F214 WeakPolarHBondContact CA-O 3.1Å; L150-L215 HydrophobicContact CB-CD1 4.4Å; L150-L215 HydrophobicContact CD1-CB 3.88Å; L150-L215 HydrophobicContact CD1-CD1 4.37Å
151	D	94.9	Very high	95.9	Very high	44 Å²	44	41.3 Å²	41.3	24%	0.235	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	161.3	175.2	-160.9	-62	0	0	0	110.5	Y153 H155 S213 F214	D151-Y153 VanDerWaalsContact C-N 3.29Å; D151-Y153 PolarHBondContact OD1-N 3.32Å; D151-H155 IonicContact OD1-NE2 3.84Å; D151-H155 IonicContact OD2-CD2 2.94Å; D151-H155 IonicContact OD2-CE1 2.62Å; D151-H155 IonicContact OD2-NE2 3.14Å; D151-H155 PolarHBondContact OD2-NE2 3.13Å; D151-S213 CarbonylContact O-C 3.45Å; D151-S213 WeakPolarHBondContact O-CA 3.47Å; D151-S213 VanDerWaalsContact O-CB 3.32Å; D151-S213 WeakPolarHBondContact O-CB 3.13Å; D151-F214 PolarHBondContact N-O 3.01Å; D151-F214 PolarHBondContact O-N 3.01Å
152	H	92.2	Very high	96.5	Very high	117 Å²	117	42.3 Å²	42.3	54%	0.542	21%	0.21	S	C	.	.	S	Bend	trans	-79.8	-11.9	172.1	-70.2	-63.7	0	0	0	113.4	I212	H152-I212 PolarHBondContact ND1-O 2.98Å; H152-I212 VanDerWaalsContact ND1-O 3.11Å
153	Y	91.6	Very high	96.7	Very high	141 Å²	141	44.6 Å²	44.6	55%	0.553	22%	0.222	S	C	*	.	S	Bend	trans	-118.7	145.4	177.8	-61.7	-78.1	0	0	0	112.2	D151 H155 F214	D151-Y153 VanDerWaalsContact C-N 3.29Å; D151-Y153 PolarHBondContact OD1-N 3.32Å; Y153-H155 PolarHBondContact O-CD2 3.39Å; Y153-H155 PolarHBondContact O-N 3.27Å; Y153-F214 VanDerWaalsContact C-CD2 3.48Å
154	P	94.3	Very high	96.9	Very high	12 Å²	12	42.9 Å²	42.9	8%	0.078	21%	0.214	C	C	.	.			trans	-78.3	111.2	174.9	31	-30.1	0	0	0	108.9	L73 L77 F214 Y216	L73-P154 HydrophobicContact CB-CB 4.38Å; L73-P154 HydrophobicContact CB-CG 4.04Å; L73-P154 HydrophobicContact CD1-CG 4.3Å; L77-P154 HydrophobicContact CD1-CB 3.83Å; P154-F214 HydrophobicContact CB-CD1 4.17Å; P154-F214 HydrophobicContact CB-CD2 4.21Å; P154-F214 HydrophobicContact CB-CE1 4.1Å; P154-F214 HydrophobicContact CB-CE2 4.16Å; P154-F214 HydrophobicContact CB-CG 4.21Å; P154-F214 HydrophobicContact CB-CZ 4.09Å; P154-F214 VanDerWaalsContact CD-CE2 3.47Å; P154-F214 HydrophobicContact CG-CE1 4.49Å; P154-F214 HydrophobicContact CG-CE2 4.09Å; P154-F214 HydrophobicContact CG-CZ 4.04Å; P154-Y216 VanDerWaalsContact CA-OH 3.25Å; P154-Y216 WeakPolarHBondContact CA-OH 3.48Å
155	H	95.6	Very high	96.9	Very high	44 Å²	44	44.8 Å²	44.8	20%	0.204	22%	0.222	C	C	.	.			trans	-96	151.5	175.6	-63.8	-64.2	0	0	0	110.4	L77 D151 Y153 N159 I160 Y216	L77-H155 WeakPolarHBondContact CD1-O 3.4Å; L77-H155 VanDerWaalsContact CD2-O 3.25Å; L77-H155 WeakPolarHBondContact CD2-O 3.31Å; D151-H155 IonicContact OD1-NE2 3.84Å; D151-H155 IonicContact OD2-CD2 2.94Å; D151-H155 IonicContact OD2-CE1 2.62Å; D151-H155 IonicContact OD2-NE2 3.14Å; D151-H155 PolarHBondContact OD2-NE2 3.13Å; Y153-H155 PolarHBondContact O-CD2 3.39Å; Y153-H155 PolarHBondContact O-N 3.27Å; H155-N159 HydrophobicContact CB-CB 4.28Å; H155-I160 HydrophobicContact CB-CD1 3.84Å; H155-I160 HydrophobicContact CB-CG1 4.11Å; H155-Y216 PolarHBondContact N-OH 2.91Å; H155-Y216 PolarHBondContact O-OH 3.46Å
156	S	97.2	Very high	96.9	Very high	57 Å²	57	47 Å²	47	40%	0.399	23%	0.233	S	C	.	.			trans	-62.6	153.7	170.9	59.3	0	0	0	0	111.1	T158 N159 I160	S156-T158 PolarHBondContact O-N 3.19Å; S156-N159 WeakPolarHBondContact O-CB 3.43Å; S156-N159 PolarHBondContact O-N 2.9Å; S156-N159 PolarHBondContact OG-N 3.01Å; S156-I160 PolarHBondContact O-N 3.4Å; S156-I160 VanDerWaalsContact O-N 3.1Å
157	W	98.3	Very high	96.9	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.231	C	C	.	.	H	α-helix	trans	-57.1	-40.2	173.8	-81.7	112.2	0	0	0	111.9	L77 T79 I89 N159 I160 I161 W164 C201 D202 V203 Y216	L77-W157 PolarHBondContact O-NE1 3.15Å; T79-W157 HydrophobicContact CG2-CZ2 4.08Å; I89-W157 HydrophobicContact CD1-CB 4.43Å; I89-W157 HydrophobicContact CD1-CD2 3.51Å; I89-W157 HydrophobicContact CD1-CE3 3.97Å; I89-W157 HydrophobicContact CD1-CG 3.72Å; I89-W157 HydrophobicContact CD1-CZ2 4.16Å; I89-W157 HydrophobicContact CD1-CZ3 4.47Å; I89-W157 HydrophobicContact CG1-CB 3.74Å; I89-W157 HydrophobicContact CG1-CD2 3.69Å; I89-W157 HydrophobicContact CG1-CE3 4Å; I89-W157 HydrophobicContact CG1-CG 3.57Å; W157-N159 VanDerWaalsContact C-N 3.28Å; W157-N159 PolarHBondContact O-N 3.25Å; W157-I160 PolarHBondContact O-N 3.05Å; W157-I161 WeakPolarHBondContact O-CB 3.35Å; W157-I161 WeakPolarHBondContact O-CD1 3.09Å; W157-I161 WeakPolarHBondContact O-CG1 3.38Å; W157-I161 PolarHBondContact O-N 3.45Å; W157-W164 HydrophobicContact CZ3-CH2 4.38Å; W157-C201 HydrophobicContact CH2-CB 3.5Å; W157-C201 VanDerWaalsContact CH2-CB 3.5Å; W157-C201 HydrophobicContact CZ2-CB 3.99Å; W157-C201 HydrophobicContact CZ3-CB 3.91Å; W157-D202 WeakPolarHBondContact CH2-O 3.45Å; W157-V203 HydrophobicContact CZ2-CB 4.33Å; W157-Y216 HydrophobicContact CE3-CD1 4.27Å; W157-Y216 AromaticContact CH2-CD1 3.9Å; W157-Y216 HydrophobicContact CH2-CD1 3.9Å; W157-Y216 HydrophobicContact CZ2-CD1 4.17Å; W157-Y216 AromaticContact CZ3-CD1 3.96Å; W157-Y216 HydrophobicContact CZ3-CD1 3.96Å
158	T	97.3	Very high	96.8	Very high	70 Å²	70	48.1 Å²	48.1	43%	0.429	24%	0.242	S	C	.	.	H	α-helix	trans	-53.3	-42.9	172.9	-59.2	0	0	0	0	112.6	E88 S156 E162	E88-T158 WeakPolarHBondContact OE1-CB 3.18Å; E88-T158 PolarHBondContact OE1-N 2.87Å; E88-T158 PolarHBondContact OE1-OG1 3.42Å; S156-T158 PolarHBondContact O-N 3.19Å; T158-E162 WeakPolarHBondContact O-CB 3.11Å; T158-E162 PolarHBondContact O-N 2.65Å
159	N	97.8	Very high	96.7	Very high	58 Å²	58	53.6 Å²	53.6	31%	0.31	27%	0.267	S	S	.	.	H	α-helix	trans	-70.4	-43.6	-179.7	-171	-37.5	0	0	0	111.4	H155 S156 W157 I161 E162 I163	H155-N159 HydrophobicContact CB-CB 4.28Å; S156-N159 WeakPolarHBondContact O-CB 3.43Å; S156-N159 PolarHBondContact O-N 2.9Å; S156-N159 PolarHBondContact OG-N 3.01Å; W157-N159 VanDerWaalsContact C-N 3.28Å; W157-N159 PolarHBondContact O-N 3.25Å; N159-I161 VanDerWaalsContact C-N 3.31Å; N159-I161 PolarHBondContact O-N 2.88Å; N159-E162 WeakPolarHBondContact O-CB 3.09Å; N159-E162 PolarHBondContact O-N 3.27Å; N159-E162 VanDerWaalsContact O-N 3.14Å; N159-I163 WeakPolarHBondContact O-CG1 3.23Å; N159-I163 PolarHBondContact O-N 3.17Å; N159-I163 WeakPolarHBondContact OD1-CD1 3.48Å
160	I	98.5	Very high	96.7	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-59.1	-43.5	175.2	-62	-60.9	0	0	0	111.7	H149 H155 S156 W157 E162 I163 W164 Y216	H149-I160 HydrophobicContact CB-CD1 4.26Å; H149-I160 HydrophobicContact CB-CG2 4.15Å; H149-I160 WeakPolarHBondContact CD2-CD1 3.47Å; H155-I160 HydrophobicContact CB-CD1 3.84Å; H155-I160 HydrophobicContact CB-CG1 4.11Å; S156-I160 PolarHBondContact O-N 3.4Å; S156-I160 VanDerWaalsContact O-N 3.1Å; W157-I160 PolarHBondContact O-N 3.05Å; I160-E162 VanDerWaalsContact C-N 3.33Å; I160-E162 PolarHBondContact O-N 3.45Å; I160-I163 HydrophobicContact CD1-CD1 4.42Å; I160-I163 WeakPolarHBondContact O-CB 3.49Å; I160-I163 PolarHBondContact O-N 3.43Å; I160-W164 HydrophobicContact CG2-CD2 4.09Å; I160-W164 HydrophobicContact CG2-CE3 4.13Å; I160-W164 HydrophobicContact CG2-CH2 3.6Å; I160-W164 HydrophobicContact CG2-CZ2 3.55Å; I160-W164 HydrophobicContact CG2-CZ3 3.9Å; I160-W164 PolarHBondContact O-N 3.17Å; I160-W164 VanDerWaalsContact O-N 3.1Å; I160-Y216 HydrophobicContact CD1-CD1 4.28Å; I160-Y216 HydrophobicContact CD1-CD2 3.72Å; I160-Y216 HydrophobicContact CD1-CE1 4.27Å; I160-Y216 HydrophobicContact CD1-CE2 3.75Å; I160-Y216 HydrophobicContact CD1-CG 4.02Å; I160-Y216 HydrophobicContact CG1-CD1 3.72Å; I160-Y216 HydrophobicContact CG1-CD2 4.09Å; I160-Y216 HydrophobicContact CG1-CE1 3.77Å; I160-Y216 HydrophobicContact CG1-CE2 4.18Å; I160-Y216 HydrophobicContact CG1-CG 3.9Å; I160-Y216 HydrophobicContact CG2-CG 4.29Å
161	I	98.8	Very high	96.7	Very high	4 Å²	4	53.7 Å²	53.7	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-64	-39.8	176.8	-69.5	169.3	0	0	0	110.7	I89 A92 L96 W157 N159 W164 H165 M191	I89-I161 HydrophobicContact CB-CD1 4.36Å; I89-I161 HydrophobicContact CG1-CD1 4.33Å; I89-I161 HydrophobicContact CG2-CD1 4.29Å; A92-I161 HydrophobicContact CB-CD1 3.81Å; A92-I161 HydrophobicContact CB-CG2 4.14Å; L96-I161 HydrophobicContact CD1-CG2 3.7Å; W157-I161 WeakPolarHBondContact O-CB 3.35Å; W157-I161 WeakPolarHBondContact O-CD1 3.09Å; W157-I161 WeakPolarHBondContact O-CG1 3.38Å; W157-I161 PolarHBondContact O-N 3.45Å; N159-I161 VanDerWaalsContact C-N 3.31Å; N159-I161 PolarHBondContact O-N 2.88Å; I161-W164 HydrophobicContact CG1-CE3 4.5Å; I161-W164 PolarHBondContact O-N 3.15Å; I161-H165 VanDerWaalsContact O-CB 3.29Å; I161-H165 WeakPolarHBondContact O-CB 3.38Å; I161-H165 PolarHBondContact O-N 3.18Å; I161-M191 HydrophobicContact CG2-CE 3.51Å
162	E	98.3	Very high	96.8	Very high	110 Å²	110	55 Å²	55	51%	0.514	28%	0.275	S	S	.	.	H	α-helix	trans	-65.6	-39.1	175.1	-174.5	176.9	-175.1	0	0	112.3	T158 N159 I160 H165 N166	T158-E162 WeakPolarHBondContact O-CB 3.11Å; T158-E162 PolarHBondContact O-N 2.65Å; N159-E162 WeakPolarHBondContact O-CB 3.09Å; N159-E162 PolarHBondContact O-N 3.27Å; N159-E162 VanDerWaalsContact O-N 3.14Å; I160-E162 VanDerWaalsContact C-N 3.33Å; I160-E162 PolarHBondContact O-N 3.45Å; E162-H165 PolarHBondContact O-N 2.93Å; E162-N166 WeakPolarHBondContact O-CB 3.46Å; E162-N166 VanDerWaalsContact O-CG 3.23Å; E162-N166 PolarHBondContact O-N 2.95Å; E162-N166 PolarHBondContact O-ND2 2.96Å
163	I	97.9	Very high	97.1	Very high	56 Å²	56	51.8 Å²	51.8	29%	0.287	26%	0.258	S	S	.	.	H	α-helix	trans	-58.5	-51	174.2	-71.5	165.7	0	0	0	110.4	N159 I160 H165 N166	N159-I163 WeakPolarHBondContact O-CG1 3.23Å; N159-I163 PolarHBondContact O-N 3.17Å; N159-I163 WeakPolarHBondContact OD1-CD1 3.48Å; I160-I163 HydrophobicContact CD1-CD1 4.42Å; I160-I163 WeakPolarHBondContact O-CB 3.49Å; I160-I163 PolarHBondContact O-N 3.43Å; I163-H165 PolarHBondContact O-N 2.78Å; I163-N166 PolarHBondContact O-N 2.03Å
164	W	98.6	Very high	97.4	Very high	2 Å²	2	46.7 Å²	46.7	1%	0.008	25%	0.249	C	C	.	.	H	α-helix	trans	-63.2	-40.5	176.9	-67.3	-31.9	0	0	0	112.5	N147 R148 H149 W157 I160 I161 N166 E167 H187 M191 C218	N147-W164 HydrophobicContact CB-CD2 3.87Å; N147-W164 HydrophobicContact CB-CE3 4.06Å; N147-W164 HydrophobicContact CB-CH2 3.89Å; N147-W164 HydrophobicContact CB-CZ2 3.68Å; N147-W164 HydrophobicContact CB-CZ3 4.08Å; R148-W164 PolarHBondContact O-NE1 3.23Å; H149-W164 HydrophobicContact CB-CZ2 4.12Å; W157-W164 HydrophobicContact CZ3-CH2 4.38Å; I160-W164 HydrophobicContact CG2-CD2 4.09Å; I160-W164 HydrophobicContact CG2-CE3 4.13Å; I160-W164 HydrophobicContact CG2-CH2 3.6Å; I160-W164 HydrophobicContact CG2-CZ2 3.55Å; I160-W164 HydrophobicContact CG2-CZ3 3.9Å; I160-W164 PolarHBondContact O-N 3.17Å; I160-W164 VanDerWaalsContact O-N 3.1Å; I161-W164 HydrophobicContact CG1-CE3 4.5Å; I161-W164 PolarHBondContact O-N 3.15Å; W164-N166 VanDerWaalsContact C-N 3.31Å; W164-N166 PolarHBondContact O-N 2.95Å; W164-E167 WeakPolarHBondContact O-CB 3.29Å; W164-E167 PolarHBondContact O-N 2.8Å; W164-H187 HydrophobicContact CB-CB 3.74Å; W164-H187 AromaticContact CD1-CD2 3.79Å; W164-H187 AromaticContact CD1-CG 3.55Å; W164-H187 AromaticContact CD1-ND1 3.98Å; W164-H187 HydrophobicContact CG-CB 3.83Å; W164-H187 AromaticContact NE1-CD2 3.88Å; W164-M191 HydrophobicContact CB-SD 3.37Å; W164-M191 WeakPolarHBondContact CB-SD 3.24Å; W164-M191 HydrophobicContact CE3-SD 4.43Å; W164-M191 HydrophobicContact CG-SD 4.45Å; W164-C218 HydrophobicContact CH2-CB 3.93Å; W164-C218 HydrophobicContact CZ3-CB 4.03Å
165	H	98.4	Very high	97.5	Very high	43 Å²	43	51.9 Å²	51.9	20%	0.199	27%	0.272	C	S	.	.	H	α-helix	trans	-66.9	-31.6	178.6	-179.6	-90.6	0	0	0	112.8	L96 I161 E162 I163 E167 S168 Y188 M191	L96-H165 HydrophobicContact CD1-CB 4Å; I161-H165 VanDerWaalsContact O-CB 3.29Å; I161-H165 WeakPolarHBondContact O-CB 3.38Å; I161-H165 PolarHBondContact O-N 3.18Å; E162-H165 PolarHBondContact O-N 2.93Å; I163-H165 PolarHBondContact O-N 2.78Å; H165-E167 PolarHBondContact O-N 3.26Å; H165-S168 WeakPolarHBondContact O-CB 3.4Å; H165-S168 PolarHBondContact O-N 2.98Å; H165-S168 PolarHBondContact O-OG 3.04Å; H165-Y188 AromaticContact CD2-CD2 3.83Å; H165-Y188 AromaticContact CD2-CE2 3.84Å; H165-Y188 AromaticContact NE2-CE2 3.84Å; H165-M191 HydrophobicContact CB-CE 3.99Å; H165-M191 HydrophobicContact CB-SD 4.34Å
166	N	97.9	Very high	97.4	Very high	52 Å²	52	57.2 Å²	57.2	28%	0.278	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-61.1	-18.9	-177.9	-87.8	-46.1	0	0	0	113.9	E162 I163 W164 S168 K169	E162-N166 WeakPolarHBondContact O-CB 3.46Å; E162-N166 VanDerWaalsContact O-CG 3.23Å; E162-N166 PolarHBondContact O-N 2.95Å; E162-N166 PolarHBondContact O-ND2 2.96Å; I163-N166 PolarHBondContact O-N 2.03Å; W164-N166 VanDerWaalsContact C-N 3.31Å; W164-N166 PolarHBondContact O-N 2.95Å; N166-S168 PolarHBondContact O-N 3.01Å; N166-K169 WeakPolarHBondContact O-CB 3.17Å; N166-K169 WeakPolarHBondContact O-CD 3.37Å; N166-K169 VanDerWaalsContact O-CG 3.3Å; N166-K169 WeakPolarHBondContact O-CG 3.37Å; N166-K169 PolarHBondContact O-N 3.42Å; N166-K169 VanDerWaalsContact OD1-CE 3.25Å; N166-K169 WeakPolarHBondContact OD1-CE 3.17Å; N166-K169 PolarHBondContact OD1-NZ 3.29Å
167	E	97.7	Very high	97	Very high	25 Å²	25	56.1 Å²	56.1	12%	0.117	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-58.8	-20	168.6	-66.6	-174.4	171.3	0	0	113.3	W164 H165 K169 H170 Q184 T185 N186 H187 Y188	W164-E167 WeakPolarHBondContact O-CB 3.29Å; W164-E167 PolarHBondContact O-N 2.8Å; H165-E167 PolarHBondContact O-N 3.26Å; E167-K169 PolarHBondContact O-N 3.26Å; E167-H170 PolarHBondContact O-N 2.93Å; E167-Q184 VanDerWaalsContact CB-O 3.3Å; E167-Q184 WeakPolarHBondContact CB-O 3.47Å; E167-Q184 VanDerWaalsContact CG-O 3.26Å; E167-Q184 WeakPolarHBondContact CG-O 3.46Å; E167-T185 VanDerWaalsContact OE2-CA 3.31Å; E167-T185 WeakPolarHBondContact OE2-CA 3.44Å; E167-N186 PolarHBondContact OE2-N 2.71Å; E167-H187 IonicContact OE1-CE1 3.73Å; E167-H187 IonicContact OE1-CG 3.88Å; E167-H187 IonicContact OE1-ND1 2.62Å; E167-H187 PolarHBondContact OE1-ND1 3.36Å; E167-H187 WeakPolarHBondContact OE2-CA 3.4Å; E167-H187 VanDerWaalsContact OE2-CB 3.27Å; E167-H187 WeakPolarHBondContact OE2-CB 3.47Å; E167-H187 IonicContact OE2-CG 3.95Å; E167-H187 PolarHBondContact OE2-N 3.02Å; E167-H187 IonicContact OE2-ND1 3.82Å; E167-Y188 PolarHBondContact OE2-N 3.2Å
168	S	97	Very high	96.6	Very high	35 Å²	35	59.1 Å²	59.1	25%	0.245	30%	0.303	C	S	.	.	G	3₁₀ helix	trans	-54.4	-23.5	173.5	79.5	0	0	0	0	113.1	H165 N166 H170 F171 Y188	H165-S168 WeakPolarHBondContact O-CB 3.4Å; H165-S168 PolarHBondContact O-N 2.98Å; H165-S168 PolarHBondContact O-OG 3.04Å; N166-S168 PolarHBondContact O-N 3.01Å; S168-H170 PolarHBondContact O-N 2.58Å; S168-F171 PolarHBondContact O-N 2.77Å; S168-Y188 VanDerWaalsContact CB-CE2 3.43Å
169	K	96.2	Very high	96	Very high	145 Å²	145	61.9 Å²	61.9	63%	0.63	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-65.5	-19.5	176	-65	170	-172.4	164.2	0	113.1	N166 E167	N166-K169 WeakPolarHBondContact O-CB 3.17Å; N166-K169 WeakPolarHBondContact O-CD 3.37Å; N166-K169 VanDerWaalsContact O-CG 3.3Å; N166-K169 WeakPolarHBondContact O-CG 3.37Å; N166-K169 PolarHBondContact O-N 3.42Å; N166-K169 VanDerWaalsContact OD1-CE 3.25Å; N166-K169 WeakPolarHBondContact OD1-CE 3.17Å; N166-K169 PolarHBondContact OD1-NZ 3.29Å; E167-K169 PolarHBondContact O-N 3.26Å
170	H	96.1	Very high	95.6	Very high	90 Å²	90	62.5 Å²	62.5	42%	0.417	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-110.9	4.6	180	-54.7	-52.8	0	0	0	112.3	E167 S168 F183 T185	E167-H170 PolarHBondContact O-N 2.93Å; S168-H170 PolarHBondContact O-N 2.58Å; H170-F183 HydrophobicContact CB-CB 4.23Å; H170-F183 HydrophobicContact CB-CD1 4.41Å; H170-F183 AromaticContact CE1-CD1 3.6Å; H170-F183 AromaticContact CE1-CE1 3.84Å; H170-F183 AromaticContact CG-CD1 3.73Å; H170-F183 AromaticContact ND1-CD1 3.38Å; H170-F183 WeakPolarHBondContact ND1-CD1 3.31Å; H170-F183 AromaticContact ND1-CE1 3.9Å; H170-T185 HydrophobicContact CB-CG2 4.06Å
171	F	96.5	Very high	94.8	Very high	23 Å²	23	68.5 Å²	68.5	10%	0.101	36%	0.361	C	S	.	.			trans	-105	129.9	-179.3	178.1	-91.9	0	0	0	111	S168 Y173 T185 Y188 T189 P233	S168-F171 PolarHBondContact O-N 2.77Å; F171-Y173 HydrophobicContact CZ-CD2 4.5Å; F171-T185 HydrophobicContact CB-CG2 3.84Å; F171-T185 HydrophobicContact CD2-CG2 4.45Å; F171-Y188 HydrophobicContact CB-CD1 3.95Å; F171-Y188 HydrophobicContact CB-CE1 3.98Å; F171-Y188 HydrophobicContact CD1-CD1 4.23Å; F171-Y188 AromaticContact CD1-CE1 3.49Å; F171-Y188 HydrophobicContact CD1-CE1 3.49Å; F171-Y188 VanDerWaalsContact CD1-CE1 3.49Å; F171-Y188 HydrophobicContact CD2-CD1 4.31Å; F171-Y188 HydrophobicContact CD2-CE1 4.3Å; F171-Y188 HydrophobicContact CE1-CE1 4.01Å; F171-Y188 AromaticContact CG-CD1 3.9Å; F171-Y188 HydrophobicContact CG-CD1 3.9Å; F171-Y188 AromaticContact CG-CE1 3.65Å; F171-Y188 HydrophobicContact CG-CE1 3.65Å; F171-T189 HydrophobicContact CD2-CG2 3.7Å; F171-T189 HydrophobicContact CE2-CG2 3.54Å; F171-T189 HydrophobicContact CZ-CG2 4.42Å; F171-P233 HydrophobicContact CZ-CG 3.99Å
172	T	97.1	Very high	94.2	Very high	72 Å²	72	74.7 Å²	74.7	44%	0.442	39%	0.394	S	S	.	.			trans	-119.9	124.4	166.8	-52.9	0	0	0	0	108.5	G174 E175	T172-G174 PolarHBondContact O-N 2.8Å; T172-E175 VanDerWaalsContact CB-OE2 3.26Å; T172-E175 WeakPolarHBondContact CB-OE2 3.29Å; T172-E175 HydrophobicContact CG2-CB 4.36Å; T172-E175 VanDerWaalsContact CG2-CD 3.48Å; T172-E175 HydrophobicContact CG2-CG 3.76Å; T172-E175 PolarHBondContact O-N 2.93Å; T172-E175 VanDerWaalsContact O-N 3.09Å; T172-E175 PolarHBondContact OG1-OE2 3.13Å
173	Y	98.1	Very high	93.8	Very high	48 Å²	48	73.7 Å²	73.7	19%	0.188	39%	0.388	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.7	133	-180	-177.9	-85.1	0	0	0	111.4	P102 F171 E175 M232 Y234 E236	P102-Y173 HydrophobicContact CG-CD1 3.69Å; P102-Y173 HydrophobicContact CG-CD2 4Å; P102-Y173 HydrophobicContact CG-CE1 4.19Å; P102-Y173 HydrophobicContact CG-CE2 4.46Å; P102-Y173 HydrophobicContact CG-CG 3.59Å; F171-Y173 HydrophobicContact CZ-CD2 4.5Å; Y173-E175 PolarHBondContact O-N 2.92Å; Y173-M232 HydrophobicContact CE1-CG 4.3Å; Y173-M232 HydrophobicContact CE2-CB 4.35Å; Y173-M232 HydrophobicContact CE2-CG 4.44Å; Y173-Y234 HydrophobicContact CD2-CD2 4.41Å; Y173-Y234 HydrophobicContact CD2-CE1 4.47Å; Y173-Y234 AromaticContact CD2-CE2 3.73Å; Y173-Y234 HydrophobicContact CD2-CE2 3.73Å; Y173-Y234 AromaticContact CD2-CZ 3.76Å; Y173-Y234 AromaticContact CE2-CD2 3.77Å; Y173-Y234 HydrophobicContact CE2-CD2 3.77Å; Y173-Y234 AromaticContact CE2-CE2 3.51Å; Y173-Y234 HydrophobicContact CE2-CE2 3.51Å; Y173-Y234 HydrophobicContact CE2-CG 4.43Å; Y173-Y234 AromaticContact CE2-CZ 3.98Å; Y173-Y234 WeakPolarHBondContact CE2-O 3.41Å; Y173-Y234 PolarHBondContact OH-O 2.98Å; Y173-E236 HydrophobicContact CE1-CB 3.9Å; Y173-E236 PolarHBondContact OH-N 2.98Å; Y173-E236 VanDerWaalsContact OH-N 3.08Å
174	G	97.5	Very high	93.5	Very high	35 Å²	35	75 Å²	75	36%	0.361	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.4	-15.1	-177.3	0	0	0	0	0	114.3	T172 N231	T172-G174 PolarHBondContact O-N 2.8Å; G174-N231 PolarHBondContact N-O 3.01Å; G174-N231 PolarHBondContact O-ND2 3.44Å
175	E	96.6	Very high	93.4	Very high	121 Å²	121	75 Å²	75	57%	0.565	39%	0.393	S	S	*	.	S	Bend	trans	-91.8	138.1	174.2	-58.9	-172.8	166.5	0	0	110.8	T172 Y173 N231	T172-E175 VanDerWaalsContact CB-OE2 3.26Å; T172-E175 WeakPolarHBondContact CB-OE2 3.29Å; T172-E175 HydrophobicContact CG2-CB 4.36Å; T172-E175 VanDerWaalsContact CG2-CD 3.48Å; T172-E175 HydrophobicContact CG2-CG 3.76Å; T172-E175 PolarHBondContact O-N 2.93Å; T172-E175 VanDerWaalsContact O-N 3.09Å; T172-E175 PolarHBondContact OG1-OE2 3.13Å; Y173-E175 PolarHBondContact O-N 2.92Å; E175-N231 WeakPolarHBondContact O-CB 3.41Å
176	W	94.1	Very high	93.3	Very high	155 Å²	155	76.4 Å²	76.4	59%	0.587	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-66.1	136.3	177.4	-74.5	103.8	0	0	0	110.8	L230 N231	W176-L230 HydrophobicContact CZ3-CB 4.18Å; W176-N231 HydrophobicContact CD2-CB 4.32Å; W176-N231 HydrophobicContact CE3-CB 4.28Å
177	P	88.8	Confident	93.3	Very high	35 Å²	35	76 Å²	76	23%	0.227	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-55.6	150.5	177.8	-28.6	37.5	0	0	0	112.8	L230	P177-L230 HydrophobicContact CG-CD2 3.79Å; P177-L230 HydrophobicContact CG-CG 3.97Å
178	S	88.7	Confident	93.4	Very high	63 Å²	63	75.4 Å²	75.4	44%	0.441	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-58.9	145.5	170.7	-171.7	0	0	0	0	110.6	D180	S178-D180 VanDerWaalsContact OG-CB 3.26Å; S178-D180 WeakPolarHBondContact OG-CB 3.49Å; S178-D180 PolarHBondContact OG-N 3.32Å; S178-D180 VanDerWaalsContact OG-N 3.11Å
179	S	85.8	Confident	93.4	Very high	127 Å²	127	73.7 Å²	73.7	89%	0.888	38%	0.383	S	S	*	.	S	Bend	trans	-83.3	0.4	168	62.9	0	0	0	0	113
180	D	89	Confident	93.5	Very high	72 Å²	72	67 Å²	67	39%	0.385	35%	0.354	S	S	.	.			trans	-85.4	126.8	178.7	-170	-19.7	0	0	0	110.1	S178 D182 F183	S178-D180 VanDerWaalsContact OG-CB 3.26Å; S178-D180 WeakPolarHBondContact OG-CB 3.49Å; S178-D180 PolarHBondContact OG-N 3.32Å; S178-D180 VanDerWaalsContact OG-N 3.11Å; D180-D182 PolarHBondContact O-N 2.88Å; D180-D182 PolarHBondContact OD1-N 3.35Å; D180-F183 HydrophobicContact CB-CD2 3.87Å; D180-F183 PolarHBondContact O-N 3.2Å
181	D	82.4	Confident	93.7	Very high	126 Å²	126	62.8 Å²	62.8	67%	0.674	34%	0.335	S	S	*	.	G	3₁₀ helix	trans	-65	-20.7	-178.3	-71.3	-36.1	0	0	0	112.9	F183 Q184	D181-F183 PolarHBondContact O-N 2.78Å; D181-Q184 WeakPolarHBondContact O-CG 3.46Å
182	D	85.5	Confident	93.8	Very high	134 Å²	134	61.7 Å²	61.7	72%	0.717	33%	0.33	S	S	*	.	G	3₁₀ helix	trans	-73.6	-13.3	174.8	-73.7	-19.2	0	0	0	112.5	D180	D180-D182 PolarHBondContact O-N 2.88Å; D180-D182 PolarHBondContact OD1-N 3.35Å
183	F	90.1	Very high	93.9	Very high	88 Å²	88	59.1 Å²	59.1	39%	0.386	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-123	38.1	-175.8	-59	-57.4	0	0	0	112.5	H170 D180 D181	H170-F183 HydrophobicContact CB-CB 4.23Å; H170-F183 HydrophobicContact CB-CD1 4.41Å; H170-F183 AromaticContact CE1-CD1 3.6Å; H170-F183 AromaticContact CE1-CE1 3.84Å; H170-F183 AromaticContact CG-CD1 3.73Å; H170-F183 AromaticContact ND1-CD1 3.38Å; H170-F183 WeakPolarHBondContact ND1-CD1 3.31Å; H170-F183 AromaticContact ND1-CE1 3.9Å; D180-F183 HydrophobicContact CB-CD2 3.87Å; D180-F183 PolarHBondContact O-N 3.2Å; D181-F183 PolarHBondContact O-N 2.78Å
184	Q	92.1	Very high	93.9	Very high	83 Å²	83	57 Å²	57	39%	0.388	30%	0.304	S	S	.	.			trans	-59.2	140.4	176.1	-74.1	177	10.6	0	0	112	E167 D181	E167-Q184 VanDerWaalsContact CB-O 3.3Å; E167-Q184 WeakPolarHBondContact CB-O 3.47Å; E167-Q184 VanDerWaalsContact CG-O 3.26Å; E167-Q184 WeakPolarHBondContact CG-O 3.46Å; D181-Q184 WeakPolarHBondContact O-CG 3.46Å
185	T	96.7	Very high	93.9	Very high	2 Å²	2	56 Å²	56	1%	0.012	29%	0.292	C	S	.	.			trans	-128.5	-2.1	178.7	54.7	0	0	0	0	113.8	E167 H170 F171 H187 Y188 T189	E167-T185 VanDerWaalsContact OE2-CA 3.31Å; E167-T185 WeakPolarHBondContact OE2-CA 3.44Å; H170-T185 HydrophobicContact CB-CG2 4.06Å; F171-T185 HydrophobicContact CB-CG2 3.84Å; F171-T185 HydrophobicContact CD2-CG2 4.45Å; T185-H187 VanDerWaalsContact C-N 3.34Å; T185-H187 PolarHBondContact O-N 3.08Å; T185-Y188 PolarHBondContact O-N 3.21Å; T185-T189 WeakPolarHBondContact O-CG2 3.4Å; T185-T189 PolarHBondContact O-N 3.29Å; T185-T189 PolarHBondContact O-OG1 2.9Å
186	N	95.7	Very high	94	Very high	73 Å²	73	50.3 Å²	50.3	39%	0.39	27%	0.265	S	S	.	.	H	α-helix	trans	-66	-34	-169.7	-67.5	-25.1	0	0	0	112.8	E167 T189 Q190 N225	E167-N186 PolarHBondContact OE2-N 2.71Å; N186-T189 WeakPolarHBondContact CA-OG1 3.45Å; N186-T189 PolarHBondContact O-OG1 3Å; N186-Q190 WeakPolarHBondContact O-CB 3.5Å; N186-Q190 PolarHBondContact O-N 3.26Å; N186-N225 PolarHBondContact O-ND2 2.85Å
187	H	98	Very high	94.2	Very high	45 Å²	45	44.3 Å²	44.3	21%	0.208	24%	0.242	C	C	.	.	H	α-helix	trans	-70.4	-44.2	177.2	-58.1	113.7	0	0	0	110.3	N147 W164 E167 T185 Q190 M191	N147-H187 PolarHBondContact ND2-O 3.31Å; W164-H187 HydrophobicContact CB-CB 3.74Å; W164-H187 AromaticContact CD1-CD2 3.79Å; W164-H187 AromaticContact CD1-CG 3.55Å; W164-H187 AromaticContact CD1-ND1 3.98Å; W164-H187 HydrophobicContact CG-CB 3.83Å; W164-H187 AromaticContact NE1-CD2 3.88Å; E167-H187 IonicContact OE1-CE1 3.73Å; E167-H187 IonicContact OE1-CG 3.88Å; E167-H187 IonicContact OE1-ND1 2.62Å; E167-H187 PolarHBondContact OE1-ND1 3.36Å; E167-H187 WeakPolarHBondContact OE2-CA 3.4Å; E167-H187 VanDerWaalsContact OE2-CB 3.27Å; E167-H187 WeakPolarHBondContact OE2-CB 3.47Å; E167-H187 IonicContact OE2-CG 3.95Å; E167-H187 PolarHBondContact OE2-N 3.02Å; E167-H187 IonicContact OE2-ND1 3.82Å; T185-H187 VanDerWaalsContact C-N 3.34Å; T185-H187 PolarHBondContact O-N 3.08Å; H187-Q190 PolarHBondContact O-N 3.34Å; H187-M191 VanDerWaalsContact O-CG 3.29Å; H187-M191 WeakPolarHBondContact O-CG 3.37Å; H187-M191 PolarHBondContact O-N 3.32Å; H187-M191 VanDerWaalsContact O-N 3.13Å
188	Y	98.6	Very high	94.7	Very high	11 Å²	11	43.7 Å²	43.7	4%	0.043	24%	0.237	C	C	.	.	H	α-helix	trans	-61.2	-51.2	176.2	166.6	-102.7	0	0	0	111.7	H165 E167 S168 F171 T185 Q190 M191 V192	H165-Y188 AromaticContact CD2-CD2 3.83Å; H165-Y188 AromaticContact CD2-CE2 3.84Å; H165-Y188 AromaticContact NE2-CE2 3.84Å; E167-Y188 PolarHBondContact OE2-N 3.2Å; S168-Y188 VanDerWaalsContact CB-CE2 3.43Å; F171-Y188 HydrophobicContact CB-CD1 3.95Å; F171-Y188 HydrophobicContact CB-CE1 3.98Å; F171-Y188 HydrophobicContact CD1-CD1 4.23Å; F171-Y188 AromaticContact CD1-CE1 3.49Å; F171-Y188 HydrophobicContact CD1-CE1 3.49Å; F171-Y188 VanDerWaalsContact CD1-CE1 3.49Å; F171-Y188 HydrophobicContact CD2-CD1 4.31Å; F171-Y188 HydrophobicContact CD2-CE1 4.3Å; F171-Y188 HydrophobicContact CE1-CE1 4.01Å; F171-Y188 AromaticContact CG-CD1 3.9Å; F171-Y188 HydrophobicContact CG-CD1 3.9Å; F171-Y188 AromaticContact CG-CE1 3.65Å; F171-Y188 HydrophobicContact CG-CE1 3.65Å; T185-Y188 PolarHBondContact O-N 3.21Å; Y188-Q190 PolarHBondContact O-N 2.87Å; Y188-M191 WeakPolarHBondContact O-CB 3.44Å; Y188-M191 PolarHBondContact O-N 3.03Å; Y188-V192 HydrophobicContact CD1-CG2 4.4Å; Y188-V192 HydrophobicContact CD2-CG1 4.31Å; Y188-V192 HydrophobicContact CE1-CG2 3.94Å; Y188-V192 HydrophobicContact CE2-CG1 3.76Å; Y188-V192 HydrophobicContact CE2-CG2 4.24Å; Y188-V192 WeakPolarHBondContact O-CG2 3.08Å; Y188-V192 PolarHBondContact O-N 3.48Å; Y188-V192 VanDerWaalsContact O-N 3.11Å
189	T	98.5	Very high	95.2	Very high	0 Å²	0	40.7 Å²	40.7	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-60.1	-35.6	-178.5	52.9	0	0	0	0	111.9	F171 T185 N186 V192 W193 N225 P233	F171-T189 HydrophobicContact CD2-CG2 3.7Å; F171-T189 HydrophobicContact CE2-CG2 3.54Å; F171-T189 HydrophobicContact CZ-CG2 4.42Å; T185-T189 WeakPolarHBondContact O-CG2 3.4Å; T185-T189 PolarHBondContact O-N 3.29Å; T185-T189 PolarHBondContact O-OG1 2.9Å; N186-T189 WeakPolarHBondContact CA-OG1 3.45Å; N186-T189 PolarHBondContact O-OG1 3Å; T189-V192 CarbonylContact O-C 3.43Å; T189-V192 PolarHBondContact O-N 3.28Å; T189-W193 WeakPolarHBondContact O-CB 3.4Å; T189-W193 PolarHBondContact O-N 3.32Å; T189-N225 VanDerWaalsContact CB-OD1 3.31Å; T189-N225 WeakPolarHBondContact CB-OD1 3.01Å; T189-N225 PolarHBondContact OG1-OD1 3.19Å; T189-P233 HydrophobicContact CG2-CG 4.45Å
190	Q	98.7	Very high	95.8	Very high	3 Å²	3	34.6 Å²	34.6	1%	0.014	17%	0.174	C	C	.	.	H	α-helix	trans	-65.5	-42.4	173.8	178.3	58	91.8	0	0	112	N186 H187 Y188 V192 W193 S196 Y220 N225	N186-Q190 WeakPolarHBondContact O-CB 3.5Å; N186-Q190 PolarHBondContact O-N 3.26Å; H187-Q190 PolarHBondContact O-N 3.34Å; Y188-Q190 PolarHBondContact O-N 2.87Å; Q190-V192 PolarHBondContact O-N 2.88Å; Q190-W193 WeakPolarHBondContact O-CB 3.03Å; Q190-W193 PolarHBondContact O-N 3.49Å; Q190-S196 PolarHBondContact NE2-OG 2.84Å; Q190-Y220 HydrophobicContact CG-CD1 4.14Å; Q190-Y220 HydrophobicContact CG-CD2 3.37Å; Q190-Y220 HydrophobicContact CG-CE1 4.41Å; Q190-Y220 HydrophobicContact CG-CE2 3.71Å; Q190-Y220 HydrophobicContact CG-CG 3.62Å; Q190-Y220 VanDerWaalsContact NE2-CB 3.32Å; Q190-N225 PolarHBondContact N-OD1 3.45Å
191	M	98.8	Very high	96.3	Very high	2 Å²	2	31.2 Å²	31.2	1%	0.01	16%	0.155	C	C	.	.	H	α-helix	trans	-61.4	-35.9	178.5	-69.1	172.5	63.4	0	0	112.2	L96 R97 I161 W164 H165 H187 Y188	L96-M191 HydrophobicContact CD1-CE 3.46Å; L96-M191 VanDerWaalsContact CD1-CE 3.46Å; R97-M191 PolarHBondContact NH1-O 3.33Å; I161-M191 HydrophobicContact CG2-CE 3.51Å; W164-M191 HydrophobicContact CB-SD 3.37Å; W164-M191 WeakPolarHBondContact CB-SD 3.24Å; W164-M191 HydrophobicContact CE3-SD 4.43Å; W164-M191 HydrophobicContact CG-SD 4.45Å; H165-M191 HydrophobicContact CB-CE 3.99Å; H165-M191 HydrophobicContact CB-SD 4.34Å; H187-M191 VanDerWaalsContact O-CG 3.29Å; H187-M191 WeakPolarHBondContact O-CG 3.37Å; H187-M191 PolarHBondContact O-N 3.32Å; H187-M191 VanDerWaalsContact O-N 3.13Å; Y188-M191 WeakPolarHBondContact O-CB 3.44Å; Y188-M191 PolarHBondContact O-N 3.03Å
192	V	98.8	Very high	97	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.7	15.7	-179.6	-55.1	0	0	0	0	113.4	V100 M107 Y188 T189 Q190 A194 P233 Y234	V100-V192 HydrophobicContact CG1-CB 3.92Å; V100-V192 HydrophobicContact CG1-CG1 3.58Å; M107-V192 HydrophobicContact CE-CB 4.27Å; M107-V192 VanDerWaalsContact CE-O 3.29Å; M107-V192 WeakPolarHBondContact CE-O 3.3Å; Y188-V192 HydrophobicContact CD1-CG2 4.4Å; Y188-V192 HydrophobicContact CD2-CG1 4.31Å; Y188-V192 HydrophobicContact CE1-CG2 3.94Å; Y188-V192 HydrophobicContact CE2-CG1 3.76Å; Y188-V192 HydrophobicContact CE2-CG2 4.24Å; Y188-V192 WeakPolarHBondContact O-CG2 3.08Å; Y188-V192 PolarHBondContact O-N 3.48Å; Y188-V192 VanDerWaalsContact O-N 3.11Å; T189-V192 CarbonylContact O-C 3.43Å; T189-V192 PolarHBondContact O-N 3.28Å; Q190-V192 PolarHBondContact O-N 2.88Å; V192-A194 PolarHBondContact O-N 2.87Å; V192-P233 HydrophobicContact CG2-CB 4.14Å; V192-P233 HydrophobicContact CG2-CG 3.88Å; V192-Y234 HydrophobicContact CB-CD1 4.45Å; V192-Y234 HydrophobicContact CB-CE1 4.42Å; V192-Y234 HydrophobicContact CG2-CD1 4.31Å; V192-Y234 HydrophobicContact CG2-CE1 4.12Å
193	W	98.9	Very high	97.6	Very high	18 Å²	18	19.1 Å²	19.1	7%	0.068	9%	0.091	C	C	.	.			trans	-70.2	120	178.6	-158.2	-95.6	0	0	0	110.5	R97 T189 Q190 T195 S196 G224 N225 N226 P233	R97-W193 PolarHBondContact NH1-O 3.08Å; R97-W193 PolarHBondContact NH2-O 3.23Å; T189-W193 WeakPolarHBondContact O-CB 3.4Å; T189-W193 PolarHBondContact O-N 3.32Å; Q190-W193 WeakPolarHBondContact O-CB 3.03Å; Q190-W193 PolarHBondContact O-N 3.49Å; W193-T195 PolarHBondContact NE1-OG1 3.19Å; W193-T195 PolarHBondContact O-N 2.89Å; W193-T195 VanDerWaalsContact O-N 3.16Å; W193-S196 PolarHBondContact O-N 3.32Å; W193-G224 VanDerWaalsContact CD1-CA 3.41Å; W193-G224 VanDerWaalsContact CD2-CA 3.47Å; W193-N225 VanDerWaalsContact CZ3-N 3.32Å; W193-N226 HydrophobicContact CH2-CB 4.07Å; W193-N226 VanDerWaalsContact CH2-N 3.33Å; W193-N226 HydrophobicContact CZ2-CB 3.77Å; W193-P233 CarbonylContact C-O 3.55Å; W193-P233 WeakPolarHBondContact CA-O 3.31Å; W193-P233 HydrophobicContact CD2-CB 4.26Å; W193-P233 HydrophobicContact CE3-CB 3.45Å; W193-P233 VanDerWaalsContact CE3-CB 3.45Å; W193-P233 HydrophobicContact CZ3-CB 3.78Å
194	A	98.7	Very high	98	Very high	2 Å²	2	15.2 Å²	15.2	2%	0.017	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-39.4	-168.5	0	0	0	0	0	112.9	R97 L108 V192 P233	R97-A194 PolarHBondContact NH2-O 3.19Å; R97-A194 VanDerWaalsContact NH2-O 3.11Å; L108-A194 VanDerWaalsContact CB-O 3.23Å; L108-A194 WeakPolarHBondContact CB-O 3.25Å; L108-A194 WeakPolarHBondContact CG-O 3.09Å; L108-A194 PolarHBondContact N-O 3.43Å; V192-A194 PolarHBondContact O-N 2.87Å; A194-P233 PolarHBondContact N-O 3.48Å
195	T	98.1	Very high	98.2	Very high	16 Å²	16	14 Å²	14	10%	0.098	8%	0.075	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	-9.2	-172.1	60	0	0	0	0	113.8	W193 Y197 I293 K294	W193-T195 PolarHBondContact NE1-OG1 3.19Å; W193-T195 PolarHBondContact O-N 2.89Å; W193-T195 VanDerWaalsContact O-N 3.16Å; T195-Y197 WeakPolarHBondContact O-CD1 3.26Å; T195-Y197 PolarHBondContact O-N 3.1Å; T195-Y197 VanDerWaalsContact O-N 3.15Å; T195-I293 HydrophobicContact CG2-CG2 4.39Å; T195-K294 WeakPolarHBondContact CG2-OXT 3.29Å
196	S	98.6	Very high	98.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.075	C	C	.	.			trans	-79.5	93.6	174.3	-58.8	0	0	0	0	110.2	M110 Q190 W193 H222	M110-S196 WeakPolarHBondContact CE-O 3.09Å; M110-S196 VanDerWaalsContact CG-O 3.3Å; M110-S196 WeakPolarHBondContact CG-O 3.07Å; Q190-S196 PolarHBondContact NE2-OG 2.84Å; W193-S196 PolarHBondContact O-N 3.32Å; S196-H222 WeakPolarHBondContact CB-O 3.31Å; S196-H222 PolarHBondContact OG-O 3.1Å
197	Y	98.6	Very high	97.9	Very high	30 Å²	30	19.6 Å²	19.6	12%	0.118	9%	0.091	C	C	.	.			trans	-108.9	-7.1	-175.3	74.6	-84.3	0	0	0	113.9	L108 M110 S111 T195 C221 H222 P255	L108-Y197 HydrophobicContact CD1-CD1 4.14Å; L108-Y197 HydrophobicContact CD1-CG 4.3Å; M110-Y197 CarbonylContact C-O 3.52Å; M110-Y197 VanDerWaalsContact CA-O 3.25Å; M110-Y197 WeakPolarHBondContact CA-O 3.25Å; S111-Y197 PolarHBondContact N-O 2.9Å; S111-Y197 PolarHBondContact OG-O 3.05Å; T195-Y197 WeakPolarHBondContact O-CD1 3.26Å; T195-Y197 PolarHBondContact O-N 3.1Å; T195-Y197 VanDerWaalsContact O-N 3.15Å; Y197-C221 PolarHBondContact N-O 2.96Å; Y197-H222 AromaticContact CE1-NE2 3.93Å; Y197-P255 HydrophobicContact CD1-CB 3.65Å; Y197-P255 HydrophobicContact CD2-CB 3.62Å; Y197-P255 HydrophobicContact CD2-CG 3.69Å; Y197-P255 HydrophobicContact CE1-CB 3.79Å; Y197-P255 HydrophobicContact CE2-CB 3.75Å; Y197-P255 HydrophobicContact CE2-CG 3.72Å; Y197-P255 HydrophobicContact CG-CB 3.58Å; Y197-P255 HydrophobicContact CG-CG 4.15Å
198	L	98.6	Very high	97.2	Very high	21 Å²	21	23.1 Å²	23.1	11%	0.11	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	134.3	173.3	-61.8	173.2	0	0	0	109	S111 N113 Y220 C221	S111-L198 WeakPolarHBondContact O-CA 3.2Å; S111-L198 WeakPolarHBondContact OG-CD2 3.37Å; N113-L198 HydrophobicContact CB-CB 3.95Å; N113-L198 HydrophobicContact CB-CD2 4.19Å; N113-L198 HydrophobicContact CB-CG 4.46Å; L198-Y220 CarbonylContact O-C 3.5Å; L198-Y220 WeakPolarHBondContact O-CA 3.48Å; L198-C221 HydrophobicContact CB-CB 3.97Å; L198-C221 WeakPolarHBondContact CB-O 3.31Å; L198-C221 HydrophobicContact CD1-CB 4.36Å; L198-C221 PolarHBondContact N-O 3.23Å; L198-C221 PolarHBondContact O-N 3.08Å
199	I	98.8	Very high	95.9	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	138.6	174.1	-171.3	171.1	0	0	0	110.4	I89 V90 H93 M110 S111 W112 N113 H219 Y220	I89-I199 HydrophobicContact CG2-CD1 3.8Å; I89-I199 HydrophobicContact CG2-CG1 4.48Å; V90-I199 HydrophobicContact CG2-CG2 3.77Å; H93-I199 WeakPolarHBondContact CE1-CD1 3.31Å; M110-I199 HydrophobicContact CB-CG2 4.46Å; M110-I199 HydrophobicContact SD-CB 4.43Å; M110-I199 HydrophobicContact SD-CD1 4.47Å; S111-I199 PolarHBondContact O-N 3.34Å; W112-I199 CarbonylContact C-O 3.5Å; W112-I199 WeakPolarHBondContact CA-O 3.43Å; W112-I199 HydrophobicContact CE3-CG2 4.43Å; N113-I199 PolarHBondContact N-O 2.8Å; I199-H219 WeakPolarHBondContact CA-O 3.45Å; I199-Y220 HydrophobicContact CD1-CD1 4Å; I199-Y220 HydrophobicContact CD1-CE1 3.51Å; I199-Y220 HydrophobicContact CG1-CD1 4.2Å; I199-Y220 HydrophobicContact CG1-CE1 4.16Å
200	G	98.8	Very high	94.9	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	128.9	170.8	0	0	0	0	0	110.3	H219	G200-H219 PolarHBondContact N-O 3.05Å; G200-H219 PolarHBondContact O-N 3.44Å
201	C	98.9	Very high	94.3	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	160	-174.3	-47.1	0	0	0	0	111.6	T79 I89 W112 W157 V217 C218	T79-C201 WeakPolarHBondContact CB-O 3.05Å; T79-C201 WeakPolarHBondContact CG2-O 3.25Å; T79-C201 PolarHBondContact OG1-O 2.67Å; I89-C201 HydrophobicContact CD1-CB 3.99Å; W112-C201 HydrophobicContact CH2-CB 4.07Å; W112-C201 VanDerWaalsContact CH2-O 3.31Å; W112-C201 WeakPolarHBondContact CH2-O 3.42Å; W112-C201 HydrophobicContact CZ3-CB 4.27Å; W157-C201 HydrophobicContact CH2-CB 3.5Å; W157-C201 VanDerWaalsContact CH2-CB 3.5Å; W157-C201 HydrophobicContact CZ2-CB 3.99Å; W157-C201 HydrophobicContact CZ3-CB 3.91Å; C201-V217 CarbonylContact C-O 3.58Å; C201-V217 WeakPolarHBondContact CA-O 3.32Å; C201-V217 VanDerWaalsContact CB-O 3.24Å; C201-V217 WeakPolarHBondContact CB-O 3.4Å; C201-C218 HydrophobicContact CB-CB 4Å; C201-C218 WeakPolarHBondContact CB-SG 3.31Å; C201-C218 VanDerWaalsContact SG-CA 3.51Å; C201-C218 WeakPolarHBondContact SG-CB 3.27Å; C201-C218 CovalentContact SG-SG 2.03Å; C201-C218 PolarHBondContact SG-SG 3.21Å
202	D	98.6	Very high	93.9	Very high	2 Å²	2	46.6 Å²	46.6	1%	0.011	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	174.1	162	-149.6	-12.5	0	0	0	110.7	T79 R121 W157 V217	T79-D202 PolarHBondContact N-OD1 3.27Å; T79-D202 PolarHBondContact OG1-OD1 2.85Å; R121-D202 HydrophobicContact CB-CB 3.68Å; R121-D202 VanDerWaalsContact CB-OD2 3.26Å; R121-D202 WeakPolarHBondContact CB-OD2 3.45Å; R121-D202 WeakPolarHBondContact CD-OD2 3.41Å; R121-D202 HydrophobicContact CG-CB 4.27Å; R121-D202 WeakPolarHBondContact CG-OD2 3.3Å; W157-D202 WeakPolarHBondContact CH2-O 3.45Å; D202-V217 PolarHBondContact N-O 3.36Å; D202-V217 PolarHBondContact O-N 2.81Å
203	V	98.3	Very high	93.7	Very high	5 Å²	5	47 Å²	47	3%	0.03	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.7	176.8	62.5	0	0	0	0	111	Y74 L77 V78 W157 F214 L215 Y216	Y74-V203 HydrophobicContact CD2-CG1 4.33Å; Y74-V203 HydrophobicContact CE2-CG1 3.99Å; Y74-V203 HydrophobicContact CE2-CG2 4.38Å; L77-V203 HydrophobicContact CB-CG1 3.64Å; V78-V203 HydrophobicContact CG2-CG1 4.23Å; W157-V203 HydrophobicContact CZ2-CB 4.33Å; V203-F214 HydrophobicContact CG2-CB 4.22Å; V203-L215 CarbonylContact C-O 3.42Å; V203-L215 VanDerWaalsContact CA-O 3.29Å; V203-L215 WeakPolarHBondContact CA-O 3.39Å; V203-Y216 HydrophobicContact CB-CD1 3.93Å; V203-Y216 HydrophobicContact CB-CE1 4.08Å; V203-Y216 HydrophobicContact CG2-CD1 3.77Å; V203-Y216 HydrophobicContact CG2-CD2 4.33Å; V203-Y216 HydrophobicContact CG2-CE1 3.65Å; V203-Y216 HydrophobicContact CG2-CE2 4.2Å; V203-Y216 HydrophobicContact CG2-CG 4.09Å
204	A	97.5	Very high	93.6	Very high	5 Å²	5	46.7 Å²	46.7	4%	0.041	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	136.4	172.8	0	0	0	0	0	111.8	A124 R125 C206 F214 L215	A124-A204 HydrophobicContact CB-CB 3.69Å; A124-A204 WeakPolarHBondContact O-CB 3.26Å; R125-A204 HydrophobicContact CG-CB 4.27Å; A204-C206 PolarHBondContact O-N 3.01Å; A204-F214 WeakPolarHBondContact O-CA 3.3Å; A204-L215 PolarHBondContact N-O 3.45Å; A204-L215 PolarHBondContact O-N 3.11Å
205	S	95.9	Very high	93.6	Very high	58 Å²	58	46.6 Å²	46.6	41%	0.406	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	112.3	166.6	172	0	0	0	0	109.8	S213	S205-S213 CarbonylContact C-O 3.57Å
206	C	94.8	Very high	93.6	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.007	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.8	-176	-63.2	0	0	0	0	111.1	C127 A204 I212 S213	C127-C206 WeakPolarHBondContact CA-SG 3.38Å; C127-C206 HydrophobicContact CB-CB 3.52Å; C127-C206 WeakPolarHBondContact CB-SG 3.38Å; C127-C206 WeakPolarHBondContact SG-CA 3.46Å; C127-C206 WeakPolarHBondContact SG-CB 3.4Å; C127-C206 CovalentContact SG-SG 2.03Å; C127-C206 PolarHBondContact SG-SG 3.38Å; A204-C206 PolarHBondContact O-N 3.01Å; C206-I212 CarbonylContact O-C 3.57Å; C206-I212 WeakPolarHBondContact O-CA 3.49Å; C206-S213 WeakPolarHBondContact CB-OG 3.49Å; C206-S213 PolarHBondContact N-O 2.96Å; C206-S213 PolarHBondContact O-N 2.94Å
207	R	91.1	Very high	93.6	Very high	191 Å²	191	45.8 Å²	45.8	72%	0.721	21%	0.212	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-113.5	107.4	178.3	-168.8	174	178	-174.8	-2.7	110.2	T211	R207-T211 WeakPolarHBondContact CA-O 3.26Å
208	R	83.6	Confident	93.6	Very high	119 Å²	119	44.4 Å²	44.4	45%	0.449	21%	0.207	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	128.6	175.9	-70.7	-175	176.2	-168.2	-4	109.7	C127 N210 T211	C127-R208 PolarHBondContact O-NE 2.84Å; C127-R208 PolarHBondContact O-NH2 3.25Å; R208-N210 VanDerWaalsContact C-N 3.34Å; R208-N210 PolarHBondContact O-N 2.92Å; R208-N210 VanDerWaalsContact O-N 3.16Å; R208-T211 PolarHBondContact N-O 3.35Å; R208-T211 VanDerWaalsContact N-O 3.07Å; R208-T211 PolarHBondContact O-N 3.04Å; R208-T211 PolarHBondContact O-OG1 3.43Å
209	Y	72.1	Confident	93.6	Very high	224 Å²	224	43.5 Å²	43.5	88%	0.878	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	45	48.7	175.3	-53.3	-69.6	0	0	0	115.3	T211	Y209-T211 PolarHBondContact O-N 2.81Å
210	N	77.3	Confident	93.6	Very high	144 Å²	144	43.5 Å²	43.5	77%	0.77	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.9	6	-176.8	-60.1	-41.1	0	0	0	116.8	R208	R208-N210 VanDerWaalsContact C-N 3.34Å; R208-N210 PolarHBondContact O-N 2.92Å; R208-N210 VanDerWaalsContact O-N 3.16Å
211	T	85.2	Confident	93.6	Very high	73 Å²	73	43.5 Å²	43.5	45%	0.448	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	145	168.7	65.8	0	0	0	0	110.2	R207 R208 Y209	R207-T211 WeakPolarHBondContact CA-O 3.26Å; R208-T211 PolarHBondContact N-O 3.35Å; R208-T211 VanDerWaalsContact N-O 3.07Å; R208-T211 PolarHBondContact O-N 3.04Å; R208-T211 PolarHBondContact O-OG1 3.43Å; Y209-T211 PolarHBondContact O-N 2.81Å
212	I	90.8	Very high	93.4	Very high	68 Å²	68	44.1 Å²	44.1	35%	0.349	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	137.9	171.1	-62.1	173.4	0	0	0	107	H152 C206 F214	H152-I212 PolarHBondContact ND1-O 2.98Å; H152-I212 VanDerWaalsContact ND1-O 3.11Å; C206-I212 CarbonylContact O-C 3.57Å; C206-I212 WeakPolarHBondContact O-CA 3.49Å; I212-F214 HydrophobicContact CG2-CE1 4.41Å; I212-F214 HydrophobicContact CG2-CE2 3.85Å; I212-F214 HydrophobicContact CG2-CZ 3.76Å
213	S	94.6	Very high	93.3	Very high	11 Å²	11	46.8 Å²	46.8	8%	0.077	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	166.1	168.5	54.3	0	0	0	0	109.9	D151 S205 C206	D151-S213 CarbonylContact O-C 3.45Å; D151-S213 WeakPolarHBondContact O-CA 3.47Å; D151-S213 VanDerWaalsContact O-CB 3.32Å; D151-S213 WeakPolarHBondContact O-CB 3.13Å; S205-S213 CarbonylContact C-O 3.57Å; C206-S213 WeakPolarHBondContact CB-OG 3.49Å; C206-S213 PolarHBondContact N-O 2.96Å; C206-S213 PolarHBondContact O-N 2.94Å
214	F	96.8	Very high	93.3	Very high	10 Å²	10	47.1 Å²	47.1	4%	0.044	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	113.7	-177.5	-60.3	-87.5	0	0	0	108.2	Y74 L150 D151 Y153 P154 V203 A204 I212 Y216	Y74-F214 AromaticContact CD2-CD1 3.63Å; Y74-F214 HydrophobicContact CD2-CD1 3.63Å; Y74-F214 AromaticContact CD2-CE1 3.65Å; Y74-F214 HydrophobicContact CD2-CE1 3.65Å; Y74-F214 HydrophobicContact CE2-CD1 4.2Å; Y74-F214 HydrophobicContact CE2-CE1 4.43Å; Y74-F214 HydrophobicContact CG-CD1 4.48Å; Y74-F214 HydrophobicContact CG-CE1 4.06Å; L150-F214 WeakPolarHBondContact CA-O 3.1Å; D151-F214 PolarHBondContact N-O 3.01Å; D151-F214 PolarHBondContact O-N 3.01Å; Y153-F214 VanDerWaalsContact C-CD2 3.48Å; P154-F214 HydrophobicContact CB-CD1 4.17Å; P154-F214 HydrophobicContact CB-CD2 4.21Å; P154-F214 HydrophobicContact CB-CE1 4.1Å; P154-F214 HydrophobicContact CB-CE2 4.16Å; P154-F214 HydrophobicContact CB-CG 4.21Å; P154-F214 HydrophobicContact CB-CZ 4.09Å; P154-F214 VanDerWaalsContact CD-CE2 3.47Å; P154-F214 HydrophobicContact CG-CE1 4.49Å; P154-F214 HydrophobicContact CG-CE2 4.09Å; P154-F214 HydrophobicContact CG-CZ 4.04Å; V203-F214 HydrophobicContact CG2-CB 4.22Å; A204-F214 WeakPolarHBondContact O-CA 3.3Å; I212-F214 HydrophobicContact CG2-CE1 4.41Å; I212-F214 HydrophobicContact CG2-CE2 3.85Å; I212-F214 HydrophobicContact CG2-CZ 3.76Å; F214-Y216 HydrophobicContact CB-CE2 3.82Å
215	L	97.8	Very high	93.2	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	113.4	178.5	178.7	53	0	0	0	109.2	M129 R148 H149 L150 V203 A204 V217	M129-L215 HydrophobicContact SD-CD1 3.44Å; M129-L215 WeakPolarHBondContact SD-CD1 3.17Å; R148-L215 HydrophobicContact CB-CD1 4.4Å; H149-L215 WeakPolarHBondContact O-CA 3.4Å; H149-L215 WeakPolarHBondContact O-CD1 3.36Å; L150-L215 HydrophobicContact CB-CD1 4.4Å; L150-L215 HydrophobicContact CD1-CB 3.88Å; L150-L215 HydrophobicContact CD1-CD1 4.37Å; V203-L215 CarbonylContact C-O 3.42Å; V203-L215 VanDerWaalsContact CA-O 3.29Å; V203-L215 WeakPolarHBondContact CA-O 3.39Å; A204-L215 PolarHBondContact N-O 3.45Å; A204-L215 PolarHBondContact O-N 3.11Å; L215-V217 HydrophobicContact CD1-CG2 4.42Å; L215-V217 HydrophobicContact CG-CG2 4.07Å
216	Y	98.6	Very high	93.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	134.9	173.1	-57.6	-98.3	0	0	0	108.8	L77 R148 H149 P154 H155 W157 I160 V203 F214	L77-Y216 HydrophobicContact CD1-CE1 4.09Å; L77-Y216 WeakPolarHBondContact CD1-OH 3.33Å; R148-Y216 VanDerWaalsContact CA-O 3.24Å; R148-Y216 WeakPolarHBondContact CA-O 3.14Å; H149-Y216 HydrophobicContact CB-CD2 4.35Å; H149-Y216 PolarHBondContact N-O 2.93Å; H149-Y216 WeakPolarHBondContact O-CD2 3.25Å; H149-Y216 PolarHBondContact O-N 3.3Å; P154-Y216 VanDerWaalsContact CA-OH 3.25Å; P154-Y216 WeakPolarHBondContact CA-OH 3.48Å; H155-Y216 PolarHBondContact N-OH 2.91Å; H155-Y216 PolarHBondContact O-OH 3.46Å; W157-Y216 HydrophobicContact CE3-CD1 4.27Å; W157-Y216 AromaticContact CH2-CD1 3.9Å; W157-Y216 HydrophobicContact CH2-CD1 3.9Å; W157-Y216 HydrophobicContact CZ2-CD1 4.17Å; W157-Y216 AromaticContact CZ3-CD1 3.96Å; W157-Y216 HydrophobicContact CZ3-CD1 3.96Å; I160-Y216 HydrophobicContact CD1-CD1 4.28Å; I160-Y216 HydrophobicContact CD1-CD2 3.72Å; I160-Y216 HydrophobicContact CD1-CE1 4.27Å; I160-Y216 HydrophobicContact CD1-CE2 3.75Å; I160-Y216 HydrophobicContact CD1-CG 4.02Å; I160-Y216 HydrophobicContact CG1-CD1 3.72Å; I160-Y216 HydrophobicContact CG1-CD2 4.09Å; I160-Y216 HydrophobicContact CG1-CE1 3.77Å; I160-Y216 HydrophobicContact CG1-CE2 4.18Å; I160-Y216 HydrophobicContact CG1-CG 3.9Å; I160-Y216 HydrophobicContact CG2-CG 4.29Å; V203-Y216 HydrophobicContact CB-CD1 3.93Å; V203-Y216 HydrophobicContact CB-CE1 4.08Å; V203-Y216 HydrophobicContact CG2-CD1 3.77Å; V203-Y216 HydrophobicContact CG2-CD2 4.33Å; V203-Y216 HydrophobicContact CG2-CE1 3.65Å; V203-Y216 HydrophobicContact CG2-CE2 4.2Å; V203-Y216 HydrophobicContact CG2-CG 4.09Å; F214-Y216 HydrophobicContact CB-CE2 3.82Å
217	V	98.7	Very high	93	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.2	176.3	-179	0	0	0	0	108.2	A120 L123 A124 E146 R148 C201 D202 L215	A120-V217 HydrophobicContact CB-CB 4.17Å; A120-V217 HydrophobicContact CB-CG1 3.82Å; L123-V217 HydrophobicContact CD2-CG1 4Å; A124-V217 HydrophobicContact CB-CB 4.36Å; A124-V217 HydrophobicContact CB-CG2 3.74Å; E146-V217 HydrophobicContact CG-CG1 4.45Å; R148-V217 HydrophobicContact CG-CG1 4.44Å; R148-V217 HydrophobicContact CG-CG2 4.14Å; C201-V217 CarbonylContact C-O 3.58Å; C201-V217 WeakPolarHBondContact CA-O 3.32Å; C201-V217 VanDerWaalsContact CB-O 3.24Å; C201-V217 WeakPolarHBondContact CB-O 3.4Å; D202-V217 PolarHBondContact N-O 3.36Å; D202-V217 PolarHBondContact O-N 2.81Å; L215-V217 HydrophobicContact CD1-CG2 4.42Å; L215-V217 HydrophobicContact CG-CG2 4.07Å
218	C	98.9	Very high	93.1	Very high	0 Å²	0	53 Å²	53	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.1	167.3	-79.1	0	0	0	0	109.5	E146 N147 W164 C201 Y220	E146-C218 CarbonylContact C-O 3.44Å; E146-C218 VanDerWaalsContact CA-O 3.29Å; E146-C218 WeakPolarHBondContact CA-O 3.36Å; N147-C218 PolarHBondContact N-O 2.87Å; N147-C218 PolarHBondContact O-N 3.16Å; W164-C218 HydrophobicContact CH2-CB 3.93Å; W164-C218 HydrophobicContact CZ3-CB 4.03Å; C201-C218 HydrophobicContact CB-CB 4Å; C201-C218 WeakPolarHBondContact CB-SG 3.31Å; C201-C218 VanDerWaalsContact SG-CA 3.51Å; C201-C218 WeakPolarHBondContact SG-CB 3.27Å; C201-C218 CovalentContact SG-SG 2.03Å; C201-C218 PolarHBondContact SG-SG 3.21Å; C218-Y220 HydrophobicContact CB-CE2 3.69Å; C218-Y220 WeakPolarHBondContact O-CE2 3.24Å
219	H	98.8	Very high	93.6	Very high	2 Å²	2	49.7 Å²	49.7	1%	0.009	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	136.4	170.9	-68.7	165.7	0	0	0	110.5	A116 A120 R137 C144 G145 E146 I199 G200	A116-H219 HydrophobicContact CB-CB 4.25Å; A120-H219 PolarHBondContact N-ND1 3.21Å; R137-H219 WeakPolarHBondContact CD-NE2 3.43Å; C144-H219 HydrophobicContact CB-CB 4.15Å; G145-H219 VanDerWaalsContact O-CA 3.25Å; G145-H219 WeakPolarHBondContact O-CA 3.44Å; E146-H219 IonicContact OE2-CD2 2.78Å; E146-H219 IonicContact OE2-NE2 2.95Å; E146-H219 PolarHBondContact OE2-NE2 2.98Å; I199-H219 WeakPolarHBondContact CA-O 3.45Å; G200-H219 PolarHBondContact N-O 3.05Å; G200-H219 PolarHBondContact O-N 3.44Å
220	Y	98.8	Very high	94.7	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	122.7	-173.3	-58.6	-97.6	0	0	0	109.7	H93 M110 C144 G145 N147 Q190 L198 I199 C218 H222	H93-Y220 AromaticContact CD2-CE1 3.9Å; H93-Y220 AromaticContact NE2-CE1 3.6Å; H93-Y220 AromaticContact NE2-CZ 3.9Å; H93-Y220 PolarHBondContact NE2-OH 3.02Å; M110-Y220 HydrophobicContact CE-CD1 3.71Å; M110-Y220 HydrophobicContact CE-CE1 4.18Å; C144-Y220 CarbonylContact C-O 3.56Å; C144-Y220 WeakPolarHBondContact CA-O 3.25Å; C144-Y220 WeakPolarHBondContact CB-O 3.46Å; G145-Y220 PolarHBondContact N-O 2.87Å; G145-Y220 PolarHBondContact O-N 3.12Å; G145-Y220 VanDerWaalsContact O-N 3.13Å; N147-Y220 HydrophobicContact CB-CE2 3.73Å; N147-Y220 PolarHBondContact ND2-OH 2.97Å; N147-Y220 VanDerWaalsContact ND2-OH 3.17Å; Q190-Y220 HydrophobicContact CG-CD1 4.14Å; Q190-Y220 HydrophobicContact CG-CD2 3.37Å; Q190-Y220 HydrophobicContact CG-CE1 4.41Å; Q190-Y220 HydrophobicContact CG-CE2 3.71Å; Q190-Y220 HydrophobicContact CG-CG 3.62Å; Q190-Y220 VanDerWaalsContact NE2-CB 3.32Å; L198-Y220 CarbonylContact O-C 3.5Å; L198-Y220 WeakPolarHBondContact O-CA 3.48Å; I199-Y220 HydrophobicContact CD1-CD1 4Å; I199-Y220 HydrophobicContact CD1-CE1 3.51Å; I199-Y220 HydrophobicContact CG1-CD1 4.2Å; I199-Y220 HydrophobicContact CG1-CE1 4.16Å; C218-Y220 HydrophobicContact CB-CE2 3.69Å; C218-Y220 WeakPolarHBondContact O-CE2 3.24Å; Y220-H222 CarbonylContact C-O 3.48Å; Y220-H222 CarbonylContact O-C 3.58Å
221	C	98	Very high	95.6	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.2	-174.8	-29.1	0	0	0	0	111	L139 T142 C144 Y197 L198	L139-C221 HydrophobicContact CD1-CB 4.48Å; T142-C221 HydrophobicContact CG2-CB 3.76Å; C144-C221 HydrophobicContact CB-CB 4.02Å; C144-C221 WeakPolarHBondContact CB-SG 3.16Å; C144-C221 WeakPolarHBondContact SG-CB 3.29Å; C144-C221 CovalentContact SG-SG 2.03Å; C144-C221 PolarHBondContact SG-SG 2.84Å; Y197-C221 PolarHBondContact N-O 2.96Å; L198-C221 HydrophobicContact CB-CB 3.97Å; L198-C221 WeakPolarHBondContact CB-O 3.31Å; L198-C221 HydrophobicContact CD1-CB 4.36Å; L198-C221 PolarHBondContact N-O 3.23Å; L198-C221 PolarHBondContact O-N 3.08Å
222	H	96.2	Very high	96.2	Very high	13 Å²	13	34.4 Å²	34.4	6%	0.06	18%	0.177	C	C	.	.	S	Bend	cis	-60.1	159.5	-5.8	-58.1	-62.4	0	0	0	112.5	T142 S196 Y197 Y220 Y259	T142-H222 VanDerWaalsContact CB-ND1 3.3Å; T142-H222 WeakPolarHBondContact CB-ND1 3.28Å; T142-H222 WeakPolarHBondContact OG1-CA 3.32Å; T142-H222 PolarHBondContact OG1-CE1 3.36Å; T142-H222 PolarHBondContact OG1-ND1 3.1Å; S196-H222 WeakPolarHBondContact CB-O 3.31Å; S196-H222 PolarHBondContact OG-O 3.1Å; Y197-H222 AromaticContact CE1-NE2 3.93Å; Y220-H222 CarbonylContact C-O 3.48Å; Y220-H222 CarbonylContact O-C 3.58Å; H222-Y259 AromaticContact CE1-CD2 3.74Å; H222-Y259 AromaticContact ND1-CD2 3.3Å; H222-Y259 VanDerWaalsContact ND1-CD2 3.3Å; H222-Y259 WeakPolarHBondContact ND1-CD2 2.8Å
223	E	96.1	Very high	96.5	Very high	59 Å²	59	31.3 Å²	31.3	28%	0.276	16%	0.161	S	C	.	.			trans	-59.6	138	175.1	74	-67.5	169.9	0	0	111.4	F143 G145 Y259	F143-E223 HydrophobicContact CB-CG 4.48Å; F143-E223 VanDerWaalsContact CB-OE2 3.23Å; F143-E223 WeakPolarHBondContact CB-OE2 3.44Å; F143-E223 PolarHBondContact O-N 3Å; G145-E223 VanDerWaalsContact N-CB 3.26Å; E223-Y259 WeakPolarHBondContact OE1-CE2 3.15Å; E223-Y259 PolarHBondContact OE1-OH 2.88Å
224	G	97.2	Very high	96.7	Very high	11 Å²	11	31 Å²	31	11%	0.113	16%	0.159	C	C	.	.			trans	-94.1	-162.5	174	0	0	0	0	0	112.4	W193 N226	W193-G224 VanDerWaalsContact CD1-CA 3.41Å; W193-G224 VanDerWaalsContact CD2-CA 3.47Å; G224-N226 VanDerWaalsContact C-N 3.28Å; G224-N226 PolarHBondContact O-N 2.99Å
225	N	97	Very high	96.8	Very high	38 Å²	38	36 Å²	36	20%	0.203	18%	0.18	C	C	.	.			trans	55.2	41.3	172	-64	-12.2	0	0	0	113.5	N186 T189 Q190 W193 L230	N186-N225 PolarHBondContact O-ND2 2.85Å; T189-N225 VanDerWaalsContact CB-OD1 3.31Å; T189-N225 WeakPolarHBondContact CB-OD1 3.01Å; T189-N225 PolarHBondContact OG1-OD1 3.19Å; Q190-N225 PolarHBondContact N-OD1 3.45Å; W193-N225 VanDerWaalsContact CZ3-N 3.32Å; N225-L230 HydrophobicContact CB-CD1 3.62Å
226	N	94.1	Very high	96.8	Very high	71 Å²	71	41.4 Å²	41.4	38%	0.38	21%	0.205	S	C	.	.			trans	-57.6	124.2	172.4	176.6	-31.6	0	0	0	108.9	W193 G224 Y228 T229 L230	W193-N226 HydrophobicContact CH2-CB 4.07Å; W193-N226 VanDerWaalsContact CH2-N 3.33Å; W193-N226 HydrophobicContact CZ2-CB 3.77Å; G224-N226 VanDerWaalsContact C-N 3.28Å; G224-N226 PolarHBondContact O-N 2.99Å; N226-Y228 PolarHBondContact O-N 3.33Å; N226-Y228 WeakPolarHBondContact OD1-CB 3.48Å; N226-Y228 VanDerWaalsContact OD1-CD2 3.31Å; N226-Y228 WeakPolarHBondContact OD1-CD2 3.41Å; N226-Y228 PolarHBondContact OD1-N 3.02Å; N226-T229 WeakPolarHBondContact CB-OG1 3.43Å; N226-T229 CarbonylContact O-C 3.58Å; N226-T229 PolarHBondContact O-N 2.9Å; N226-L230 PolarHBondContact O-N 3.14Å
227	P	92.3	Very high	96.8	Very high	92 Å²	92	42.2 Å²	42.2	60%	0.597	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.9	-20.4	-171.6	24.5	-35.4	0	0	0	113.6
228	Y	92.3	Very high	96.8	Very high	178 Å²	178	45.8 Å²	45.8	70%	0.698	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	-11.1	178.7	-56.1	-71	0	0	0	113.8	N226	N226-Y228 PolarHBondContact O-N 3.33Å; N226-Y228 WeakPolarHBondContact OD1-CB 3.48Å; N226-Y228 VanDerWaalsContact OD1-CD2 3.31Å; N226-Y228 WeakPolarHBondContact OD1-CD2 3.41Å; N226-Y228 PolarHBondContact OD1-N 3.02Å
229	T	94	Very high	96.8	Very high	50 Å²	50	49.2 Å²	49.2	31%	0.307	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	19.1	-174.9	49.7	0	0	0	0	112.5	N226 N231 M232	N226-T229 WeakPolarHBondContact CB-OG1 3.43Å; N226-T229 CarbonylContact O-C 3.58Å; N226-T229 PolarHBondContact O-N 2.9Å; T229-N231 PolarHBondContact O-N 2.82Å; T229-N231 VanDerWaalsContact O-N 3.15Å; T229-M232 CarbonylContact O-C 3.37Å; T229-M232 VanDerWaalsContact O-C 3.31Å; T229-M232 WeakPolarHBondContact O-CA 3.47Å; T229-M232 PolarHBondContact O-N 2.73Å
230	L	94.8	Very high	96.8	Very high	27 Å²	27	49.5 Å²	49.5	14%	0.141	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-32.4	-174.5	-174.1	64.2	0	0	0	113	W176 P177 N225 N226 M232	W176-L230 HydrophobicContact CZ3-CB 4.18Å; P177-L230 HydrophobicContact CG-CD2 3.79Å; P177-L230 HydrophobicContact CG-CG 3.97Å; N225-L230 HydrophobicContact CB-CD1 3.62Å; N226-L230 PolarHBondContact O-N 3.14Å; L230-M232 PolarHBondContact O-N 3.22Å
231	N	96	Very high	96.8	Very high	10 Å²	10	53.9 Å²	53.9	5%	0.053	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74	-9.3	176.1	63.1	-31	0	0	0	114.4	G174 E175 W176 T229	G174-N231 PolarHBondContact N-O 3.01Å; G174-N231 PolarHBondContact O-ND2 3.44Å; E175-N231 WeakPolarHBondContact O-CB 3.41Å; W176-N231 HydrophobicContact CD2-CB 4.32Å; W176-N231 HydrophobicContact CE3-CB 4.28Å; T229-N231 PolarHBondContact O-N 2.82Å; T229-N231 VanDerWaalsContact O-N 3.15Å
232	M	97.8	Very high	96.9	Very high	82 Å²	82	55.8 Å²	55.8	40%	0.404	29%	0.293	S	S	.	.			trans	-134.5	70.6	-177.9	-65.7	179.4	-68.9	0	0	109.9	Y173 T229 L230 Y234	Y173-M232 HydrophobicContact CE1-CG 4.3Å; Y173-M232 HydrophobicContact CE2-CB 4.35Å; Y173-M232 HydrophobicContact CE2-CG 4.44Å; T229-M232 CarbonylContact O-C 3.37Å; T229-M232 VanDerWaalsContact O-C 3.31Å; T229-M232 WeakPolarHBondContact O-CA 3.47Å; T229-M232 PolarHBondContact O-N 2.73Å; L230-M232 PolarHBondContact O-N 3.22Å; M232-Y234 PolarHBondContact O-N 2.94Å; M232-Y234 VanDerWaalsContact O-N 3.08Å
233	P	98.3	Very high	97	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.019	29%	0.291	C	S	.	.	S	Bend	trans	-65.6	-14	-175.6	26.6	-34.8	0	0	0	113.9	F171 T189 V192 W193 A194	F171-P233 HydrophobicContact CZ-CG 3.99Å; T189-P233 HydrophobicContact CG2-CG 4.45Å; V192-P233 HydrophobicContact CG2-CB 4.14Å; V192-P233 HydrophobicContact CG2-CG 3.88Å; W193-P233 CarbonylContact C-O 3.55Å; W193-P233 WeakPolarHBondContact CA-O 3.31Å; W193-P233 HydrophobicContact CD2-CB 4.26Å; W193-P233 HydrophobicContact CE3-CB 3.45Å; W193-P233 VanDerWaalsContact CE3-CB 3.45Å; W193-P233 HydrophobicContact CZ3-CB 3.78Å; A194-P233 PolarHBondContact N-O 3.48Å
234	Y	98.8	Very high	97.1	Very high	6 Å²	6	57 Å²	57	2%	0.024	31%	0.307	C	S	.	.	S	Bend	trans	-146.4	170.6	175.2	51.1	-98	0	0	0	109.1	V100 Y101 P102 A104 M107 Y173 V192 M232	V100-Y234 HydrophobicContact CB-CE1 3.97Å; V100-Y234 HydrophobicContact CG1-CE1 4.23Å; V100-Y234 HydrophobicContact CG2-CE1 4.05Å; V100-Y234 HydrophobicContact CG2-CE2 4.28Å; Y101-Y234 VanDerWaalsContact C-OH 3.27Å; Y101-Y234 PolarHBondContact O-OH 2.83Å; P102-Y234 WeakPolarHBondContact CD-OH 3.44Å; P102-Y234 HydrophobicContact CG-CE2 4.36Å; P102-Y234 WeakPolarHBondContact O-CE2 3.29Å; P102-Y234 PolarHBondContact O-OH 2.99Å; A104-Y234 HydrophobicContact CB-CD1 4.5Å; A104-Y234 HydrophobicContact CB-CD2 3.44Å; A104-Y234 VanDerWaalsContact CB-CD2 3.44Å; A104-Y234 HydrophobicContact CB-CE2 4.05Å; A104-Y234 HydrophobicContact CB-CG 3.71Å; M107-Y234 HydrophobicContact CE-CD1 3.44Å; M107-Y234 VanDerWaalsContact CE-CD1 3.44Å; M107-Y234 HydrophobicContact CE-CE1 4.15Å; M107-Y234 HydrophobicContact CE-CG 3.74Å; Y173-Y234 HydrophobicContact CD2-CD2 4.41Å; Y173-Y234 HydrophobicContact CD2-CE1 4.47Å; Y173-Y234 AromaticContact CD2-CE2 3.73Å; Y173-Y234 HydrophobicContact CD2-CE2 3.73Å; Y173-Y234 AromaticContact CD2-CZ 3.76Å; Y173-Y234 AromaticContact CE2-CD2 3.77Å; Y173-Y234 HydrophobicContact CE2-CD2 3.77Å; Y173-Y234 AromaticContact CE2-CE2 3.51Å; Y173-Y234 HydrophobicContact CE2-CE2 3.51Å; Y173-Y234 HydrophobicContact CE2-CG 4.43Å; Y173-Y234 AromaticContact CE2-CZ 3.98Å; Y173-Y234 WeakPolarHBondContact CE2-O 3.41Å; Y173-Y234 PolarHBondContact OH-O 2.98Å; V192-Y234 HydrophobicContact CB-CD1 4.45Å; V192-Y234 HydrophobicContact CB-CE1 4.42Å; V192-Y234 HydrophobicContact CG2-CD1 4.31Å; V192-Y234 HydrophobicContact CG2-CE1 4.12Å; M232-Y234 PolarHBondContact O-N 2.94Å; M232-Y234 VanDerWaalsContact O-N 3.08Å
235	K	98.6	Very high	97.1	Very high	114 Å²	114	63.6 Å²	63.6	50%	0.496	34%	0.341	S	S	.	.			trans	-86.9	125.9	170.9	-64.6	175.7	-174.4	172.4	0	109	A104 R105 N106 D242	A104-K235 CarbonylContact C-O 3.48Å; A104-K235 VanDerWaalsContact CA-O 3.31Å; A104-K235 WeakPolarHBondContact CA-O 3.38Å; R105-K235 HydrophobicContact CG-CB 3.54Å; R105-K235 WeakPolarHBondContact CG-O 3.38Å; R105-K235 PolarHBondContact N-O 3.16Å; N106-K235 PolarHBondContact OD1-N 2.96Å; K235-D242 WeakPolarHBondContact CD-OD2 3.47Å; K235-D242 IonicContact NZ-OD2 3.02Å
236	E	98.6	Very high	97.2	Very high	114 Å²	114	64.8 Å²	64.8	53%	0.533	35%	0.347	S	S	.	.	B	Isolated β-bridge	trans	-61.7	138.1	169.5	177.3	174.7	-165.9	0	0	111.1	P102 T103 R105 Y173	P102-E236 HydrophobicContact CB-CG 3.9Å; P102-E236 HydrophobicContact CG-CB 4.25Å; P102-E236 HydrophobicContact CG-CG 3.97Å; T103-E236 WeakPolarHBondContact O-CA 3.33Å; R105-E236 VanDerWaalsContact CD-O 3.23Å; R105-E236 WeakPolarHBondContact CD-O 3.37Å; Y173-E236 HydrophobicContact CE1-CB 3.9Å; Y173-E236 PolarHBondContact OH-N 2.98Å; Y173-E236 VanDerWaalsContact OH-N 3.08Å
237	G	98.6	Very high	97.4	Very high	17 Å²	17	64.3 Å²	64.3	18%	0.175	35%	0.348	C	S	.	.	S	Bend	trans	161.6	-172.5	175.6	0	0	0	0	0	112.9	T103	T103-G237 CarbonylContact C-O 3.45Å; T103-G237 VanDerWaalsContact C-O 3.29Å; T103-G237 WeakPolarHBondContact CB-O 3.5Å; T103-G237 PolarHBondContact O-N 3.1Å; T103-G237 PolarHBondContact OG1-O 3.38Å
238	S	98.6	Very high	97.7	Very high	75 Å²	75	62.3 Å²	62.3	52%	0.524	33%	0.332	S	S	.	.	S	Bend	trans	-68.6	139.1	177.4	-62.6	0	0	0	0	110	R105 C240 E241	R105-S238 VanDerWaalsContact CA-O 3.26Å; R105-S238 WeakPolarHBondContact CA-O 3.28Å; R105-S238 WeakPolarHBondContact CB-O 3.4Å; S238-C240 PolarHBondContact O-N 3.01Å; S238-E241 PolarHBondContact N-OE2 2.03Å; S238-E241 VanDerWaalsContact O-CB 3.25Å; S238-E241 WeakPolarHBondContact O-CB 3.12Å; S238-E241 PolarHBondContact O-N 3.23Å
239	P	98.8	Very high	97.9	Very high	72 Å²	72	60.9 Å²	60.9	47%	0.468	33%	0.332	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48.1	129.3	177.5	-29.4	35.8	0	0	0	112.5	T103 A104 E241	T103-P239 HydrophobicContact CG2-CG 4.38Å; A104-P239 WeakPolarHBondContact O-CA 3.45Å; P239-E241 VanDerWaalsContact C-N 3.28Å; P239-E241 PolarHBondContact O-N 3.17Å
240	C	98.7	Very high	98.1	Very high	7 Å²	7	59.5 Å²	59.5	5%	0.047	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.3	17.3	-177.6	-59.7	0	0	0	0	117.4	R105 S238 D242 C243 C247 G250	R105-C240 CarbonylContact O-C 3.53Å; R105-C240 WeakPolarHBondContact O-CA 3.35Å; S238-C240 PolarHBondContact O-N 3.01Å; C240-D242 PolarHBondContact O-N 3.03Å; C240-C243 WeakPolarHBondContact CA-SG 3.4Å; C240-C243 VanDerWaalsContact CB-SG 3.55Å; C240-C243 CarbonylContact O-C 3.47Å; C240-C243 VanDerWaalsContact O-C 3.23Å; C240-C243 PolarHBondContact O-N 3.02Å; C240-C247 HydrophobicContact CB-CB 3.49Å; C240-C247 VanDerWaalsContact CB-CB 3.49Å; C240-C247 WeakPolarHBondContact CB-SG 3.17Å; C240-C247 WeakPolarHBondContact SG-CB 3.44Å; C240-C247 CovalentContact SG-SG 2.03Å; C240-C247 PolarHBondContact SG-SG 3.46Å; C240-G250 VanDerWaalsContact SG-CA 3.57Å
241	E	98.6	Very high	98.3	Very high	93 Å²	93	58.2 Å²	58.2	44%	0.435	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-29	178	-174.3	-169.8	148.1	0	0	112.9	R105 S238 P239	R105-E241 HydrophobicContact CB-CB 3.76Å; R105-E241 IonicContact CZ-OE1 3.69Å; R105-E241 IonicContact NH1-OE1 2.76Å; R105-E241 PolarHBondContact NH1-OE1 3.38Å; R105-E241 IonicContact NH1-OE2 2.66Å; R105-E241 IonicContact NH2-OE1 3.9Å; R105-E241 PolarHBondContact O-N 3.35Å; S238-E241 PolarHBondContact N-OE2 2.03Å; S238-E241 VanDerWaalsContact O-CB 3.25Å; S238-E241 WeakPolarHBondContact O-CB 3.12Å; S238-E241 PolarHBondContact O-N 3.23Å; P239-E241 VanDerWaalsContact C-N 3.28Å; P239-E241 PolarHBondContact O-N 3.17Å
242	D	98.6	Very high	98.4	Very high	39 Å²	39	57.8 Å²	57.8	21%	0.209	32%	0.319	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-6.8	174.4	-79.8	-23.4	0	0	0	114.1	R105 N106 K235 C240 I293	R105-D242 IonicContact CZ-OD1 3.13Å; R105-D242 IonicContact CZ-OD2 3.54Å; R105-D242 IonicContact NE-OD1 3.75Å; R105-D242 PolarHBondContact NE-OD1 2.7Å; R105-D242 IonicContact NE-OD2 2.71Å; R105-D242 PolarHBondContact NE-OD2 3.37Å; R105-D242 IonicContact NH2-OD1 3.62Å; R105-D242 PolarHBondContact NH2-OD1 3.43Å; R105-D242 IonicContact NH2-OD2 3.74Å; R105-D242 PolarHBondContact O-N 3.43Å; R105-D242 VanDerWaalsContact O-N 3.1Å; N106-D242 HydrophobicContact CB-CB 3.98Å; K235-D242 WeakPolarHBondContact CD-OD2 3.47Å; K235-D242 IonicContact NZ-OD2 3.02Å; C240-D242 PolarHBondContact O-N 3.03Å; D242-I293 HydrophobicContact CB-CD1 3.79Å
243	C	98.5	Very high	98.5	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.007	32%	0.318	C	S	.	.			trans	-144	52.6	-174.9	62	0	0	0	0	112.2	C240 N245 D246 C252 N254 I293	C240-C243 WeakPolarHBondContact CA-SG 3.4Å; C240-C243 VanDerWaalsContact CB-SG 3.55Å; C240-C243 CarbonylContact O-C 3.47Å; C240-C243 VanDerWaalsContact O-C 3.23Å; C240-C243 PolarHBondContact O-N 3.02Å; C243-N245 PolarHBondContact O-N 3.23Å; C243-N245 VanDerWaalsContact O-N 3.08Å; C243-D246 HydrophobicContact CB-CB 4.4Å; C243-D246 CarbonylContact O-C 3.55Å; C243-D246 PolarHBondContact O-N 3.11Å; C243-C252 HydrophobicContact CB-CB 3.67Å; C243-C252 WeakPolarHBondContact CB-SG 3.43Å; C243-C252 WeakPolarHBondContact SG-CA 3.46Å; C243-C252 WeakPolarHBondContact SG-CB 3.47Å; C243-C252 CovalentContact SG-SG 2.02Å; C243-C252 PolarHBondContact SG-SG 3.04Å; C243-N254 WeakPolarHBondContact CB-OD1 3.37Å; C243-I293 HydrophobicContact CB-CD1 4.42Å
244	P	98	Very high	98.5	Very high	96 Å²	96	57.5 Å²	57.5	62%	0.623	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	-26.2	-169.6	24.9	-35.8	0	0	0	114.2
245	N	97.9	Very high	98.5	Very high	151 Å²	151	58.9 Å²	58.9	81%	0.807	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.9	-8.1	178.9	-60.5	-41.5	0	0	0	113.4	C243	C243-N245 PolarHBondContact O-N 3.23Å; C243-N245 VanDerWaalsContact O-N 3.08Å
246	D	98.4	Very high	98.4	Very high	63 Å²	63	53.5 Å²	53.5	34%	0.337	31%	0.308	S	S	.	.	S	Bend	trans	-132.4	55.8	-171.5	-64	-76.9	0	0	0	109.2	C243 C252 T253 N254	C243-D246 HydrophobicContact CB-CB 4.4Å; C243-D246 CarbonylContact O-C 3.55Å; C243-D246 PolarHBondContact O-N 3.11Å; D246-C252 CarbonylContact O-C 3.47Å; D246-C252 VanDerWaalsContact O-CA 3.27Å; D246-C252 WeakPolarHBondContact O-CA 3.47Å; D246-T253 PolarHBondContact O-N 2.89Å; D246-T253 PolarHBondContact O-OG1 3.41Å; D246-N254 HydrophobicContact CB-CB 3.58Å; D246-N254 VanDerWaalsContact CB-CG 3.49Å; D246-N254 PolarHBondContact OD2-ND2 2.91Å
247	C	98.6	Very high	98.2	Very high	61 Å²	61	51.1 Å²	51.1	41%	0.412	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.1	-175.1	-174.9	0	0	0	0	111.4	C240 L251	C240-C247 HydrophobicContact CB-CB 3.49Å; C240-C247 VanDerWaalsContact CB-CB 3.49Å; C240-C247 WeakPolarHBondContact CB-SG 3.17Å; C240-C247 WeakPolarHBondContact SG-CB 3.44Å; C240-C247 CovalentContact SG-SG 2.03Å; C240-C247 PolarHBondContact SG-SG 3.46Å; C247-L251 WeakPolarHBondContact CA-O 3.33Å
248	D	98.6	Very high	98	Very high	49 Å²	49	54.1 Å²	54.1	26%	0.262	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	99.9	173.3	179.6	27.5	0	0	0	110.3	K109 G250 L251 T253	K109-D248 HydrophobicContact CD-CB 4.45Å; K109-D248 WeakPolarHBondContact CD-OD2 2.91Å; K109-D248 WeakPolarHBondContact CE-OD2 3.43Å; K109-D248 IonicContact NZ-OD2 3.71Å; K109-D248 PolarHBondContact NZ-OD2 3.37Å; D248-G250 VanDerWaalsContact C-N 3.3Å; D248-G250 PolarHBondContact O-N 3.38Å; D248-L251 PolarHBondContact N-O 2.91Å; D248-L251 PolarHBondContact O-N 3.33Å; D248-L251 VanDerWaalsContact O-N 3.11Å; D248-T253 HydrophobicContact CB-CG2 3.63Å
249	E	97.5	Very high	97.7	Very high	149 Å²	149	52.9 Å²	52.9	70%	0.696	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.2	47.2	179	-60.7	-178.6	-99.2	0	0	112.8	R98	R98-E249 WeakPolarHBondContact CD-O 3.43Å; R98-E249 WeakPolarHBondContact CG-O 3.3Å; R98-E249 PolarHBondContact NE-O 2.97Å; R98-E249 IonicContact NH2-OE1 3.34Å
250	G	98.1	Very high	97.5	Very high	21 Å²	21	51 Å²	51	22%	0.216	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	2.7	177.8	0	0	0	0	0	115.7	C240 D248	C240-G250 VanDerWaalsContact SG-CA 3.57Å; D248-G250 VanDerWaalsContact C-N 3.3Å; D248-G250 PolarHBondContact O-N 3.38Å
251	L	98.9	Very high	97.2	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	136.8	172.9	-58.4	177.7	0	0	0	111.3	N94 R97 R98 M107 K109 C247 D248	N94-L251 HydrophobicContact CB-CD1 3.9Å; R97-L251 HydrophobicContact CB-CD2 3.87Å; R98-L251 HydrophobicContact CG-CD1 3.87Å; R98-L251 HydrophobicContact CG-CD2 3.87Å; R98-L251 HydrophobicContact CG-CG 3.61Å; M107-L251 HydrophobicContact CB-CD2 4Å; M107-L251 HydrophobicContact CG-CD2 3.51Å; M107-L251 CarbonylContact O-C 3.59Å; M107-L251 VanDerWaalsContact O-CA 3.31Å; M107-L251 WeakPolarHBondContact O-CA 3.35Å; K109-L251 HydrophobicContact CB-CB 3.85Å; K109-L251 HydrophobicContact CB-CD1 4.13Å; K109-L251 HydrophobicContact CG-CD1 4.12Å; C247-L251 WeakPolarHBondContact CA-O 3.33Å; D248-L251 PolarHBondContact N-O 2.91Å; D248-L251 PolarHBondContact O-N 3.33Å; D248-L251 VanDerWaalsContact O-N 3.11Å
252	C	98.9	Very high	96.9	Very high	1 Å²	1	54.6 Å²	54.6	1%	0.007	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	141.5	174.1	-62.1	0	0	0	0	111.8	M107 L108 K109 C243 D246 I293	M107-C252 PolarHBondContact O-N 3.49Å; L108-C252 CarbonylContact C-O 3.35Å; L108-C252 WeakPolarHBondContact CA-O 3.26Å; L108-C252 HydrophobicContact CD2-CB 3.8Å; L108-C252 HydrophobicContact CG-CB 4.46Å; K109-C252 PolarHBondContact N-O 2.94Å; C243-C252 HydrophobicContact CB-CB 3.67Å; C243-C252 WeakPolarHBondContact CB-SG 3.43Å; C243-C252 WeakPolarHBondContact SG-CA 3.46Å; C243-C252 WeakPolarHBondContact SG-CB 3.47Å; C243-C252 CovalentContact SG-SG 2.02Å; C243-C252 PolarHBondContact SG-SG 3.04Å; D246-C252 CarbonylContact O-C 3.47Å; D246-C252 VanDerWaalsContact O-CA 3.27Å; D246-C252 WeakPolarHBondContact O-CA 3.47Å; C252-I293 HydrophobicContact CB-CG1 3.99Å
253	T	98.8	Very high	96.4	Very high	63 Å²	63	60.1 Å²	60.1	39%	0.387	32%	0.321	S	S	.	.			trans	-118.9	11.5	-179.2	59.5	0	0	0	0	113.8	K109 D246 D248 P255	K109-T253 HydrophobicContact CB-CG2 4.32Å; K109-T253 HydrophobicContact CD-CG2 4.25Å; D246-T253 PolarHBondContact O-N 2.89Å; D246-T253 PolarHBondContact O-OG1 3.41Å; D248-T253 HydrophobicContact CB-CG2 3.63Å; T253-P255 WeakPolarHBondContact O-CD 3.21Å
254	N	98.4	Very high	96.2	Very high	15 Å²	15	62.7 Å²	62.7	8%	0.08	34%	0.335	C	S	.	.			trans	-111.8	63.3	178.9	59.4	-20.9	0	0	0	111.9	C243 D246 T291 E292 I293	C243-N254 WeakPolarHBondContact CB-OD1 3.37Å; D246-N254 HydrophobicContact CB-CB 3.58Å; D246-N254 VanDerWaalsContact CB-CG 3.49Å; D246-N254 PolarHBondContact OD2-ND2 2.91Å; N254-T291 PolarHBondContact ND2-O 3.16Å; N254-T291 VanDerWaalsContact ND2-O 3.11Å; N254-E292 CarbonylContact O-C 3.23Å; N254-E292 WeakPolarHBondContact O-CA 3.46Å; N254-E292 VanDerWaalsContact O-CB 3.27Å; N254-E292 WeakPolarHBondContact O-CB 3.44Å; N254-I293 PolarHBondContact O-N 3.04Å
255	P	97.9	Very high	96	Very high	36 Å²	36	58.4 Å²	58.4	23%	0.234	31%	0.307	C	S	.	.	B	Isolated β-bridge	trans	-66.2	143.3	175.2	30.5	-35.4	0	0	0	110.8	L108 Y197 T253 P257	L108-P255 HydrophobicContact CD1-CB 3.9Å; L108-P255 HydrophobicContact CD2-CB 3.92Å; Y197-P255 HydrophobicContact CD1-CB 3.65Å; Y197-P255 HydrophobicContact CD2-CB 3.62Å; Y197-P255 HydrophobicContact CD2-CG 3.69Å; Y197-P255 HydrophobicContact CE1-CB 3.79Å; Y197-P255 HydrophobicContact CE2-CB 3.75Å; Y197-P255 HydrophobicContact CE2-CG 3.72Å; Y197-P255 HydrophobicContact CG-CB 3.58Å; Y197-P255 HydrophobicContact CG-CG 4.15Å; T253-P255 WeakPolarHBondContact O-CD 3.21Å; P255-P257 WeakPolarHBondContact O-CD 3.42Å
256	C	96.9	Very high	95.8	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.007	30%	0.3	C	S	.	.			trans	-69.6	122.1	165.7	179.1	0	0	0	0	108.4	Y258 A285 C289 E292 I293 K294	C256-Y258 PolarHBondContact O-N 2.84Å; C256-Y258 PolarHBondContact SG-O 3.4Å; C256-Y258 VanDerWaalsContact SG-O 3.4Å; C256-A285 VanDerWaalsContact SG-CB 3.57Å; C256-C289 VanDerWaalsContact CA-SG 3.51Å; C256-C289 HydrophobicContact CB-CB 3.68Å; C256-C289 WeakPolarHBondContact CB-SG 3.3Å; C256-C289 WeakPolarHBondContact SG-CB 3.39Å; C256-C289 CovalentContact SG-SG 2.02Å; C256-C289 PolarHBondContact SG-SG 3.37Å; C256-E292 HydrophobicContact CB-CB 3.92Å; C256-I293 WeakPolarHBondContact CB-O 3.43Å; C256-I293 PolarHBondContact N-O 3.46Å; C256-K294 HydrophobicContact CB-CB 3.86Å
257	P	93.9	Very high	95.6	Very high	64 Å²	64	61.4 Å²	61.4	42%	0.416	32%	0.316	S	S	.	.			trans	-80.2	-7.2	-179	33.2	-36.9	0	0	0	112.9	P255	P255-P257 WeakPolarHBondContact O-CD 3.42Å
258	Y	94.5	Very high	95.5	Very high	80 Å²	80	60.5 Å²	60.5	31%	0.314	31%	0.305	S	S	.	.			trans	-102.5	160.5	-178.5	-55.9	-55.8	0	0	0	110.5	C256 K284 A285 L288	C256-Y258 PolarHBondContact O-N 2.84Å; C256-Y258 PolarHBondContact SG-O 3.4Å; C256-Y258 VanDerWaalsContact SG-O 3.4Å; Y258-K284 HydrophobicContact CD1-CD 3.68Å; Y258-K284 HydrophobicContact CD1-CG 3.99Å; Y258-K284 HydrophobicContact CD2-CG 4.42Å; Y258-K284 HydrophobicContact CE1-CD 4.27Å; Y258-K284 HydrophobicContact CG-CD 4.06Å; Y258-K284 HydrophobicContact CG-CG 3.86Å; Y258-A285 WeakPolarHBondContact O-CB 3.16Å; Y258-L288 HydrophobicContact CD2-CB 3.65Å; Y258-L288 HydrophobicContact CD2-CD1 3.96Å; Y258-L288 HydrophobicContact CD2-CG 4.39Å; Y258-L288 HydrophobicContact CE1-CD1 4.47Å; Y258-L288 HydrophobicContact CE2-CB 3.59Å; Y258-L288 HydrophobicContact CE2-CD1 3.61Å; Y258-L288 HydrophobicContact CE2-CG 4.25Å
259	Y	93.5	Very high	95.3	Very high	49 Å²	49	60 Å²	60	19%	0.192	30%	0.303	C	S	.	.			trans	-124.5	148.1	178.7	-177.5	-100	0	0	0	110.7	E141 F143 H222 E223	E141-Y259 WeakPolarHBondContact O-CB 3.38Å; F143-Y259 HydrophobicContact CD2-CD1 4.4Å; F143-Y259 AromaticContact CD2-CE1 3.68Å; F143-Y259 HydrophobicContact CD2-CE1 3.68Å; F143-Y259 AromaticContact CD2-CZ 3.92Å; F143-Y259 HydrophobicContact CE2-CE1 4.08Å; H222-Y259 AromaticContact CE1-CD2 3.74Å; H222-Y259 AromaticContact ND1-CD2 3.3Å; H222-Y259 VanDerWaalsContact ND1-CD2 3.3Å; H222-Y259 WeakPolarHBondContact ND1-CD2 2.8Å; E223-Y259 WeakPolarHBondContact OE1-CE2 3.15Å; E223-Y259 PolarHBondContact OE1-OH 2.88Å
260	D	94.6	Very high	95.2	Very high	31 Å²	31	57.2 Å²	57.2	17%	0.166	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-94.7	112.6	172.5	-77.5	-12.7	0	0	0	108.8	Y262 C265 F282 C283 K284 A285 S286	D260-Y262 PolarHBondContact O-N 2.95Å; D260-C265 HydrophobicContact CB-CB 4.49Å; D260-C265 VanDerWaalsContact CG-SG 3.58Å; D260-F282 CarbonylContact C-O 3.53Å; D260-C283 WeakPolarHBondContact OD1-CA 3.39Å; D260-K284 PolarHBondContact OD1-N 3.11Å; D260-K284 VanDerWaalsContact OD1-N 3.16Å; D260-A285 WeakPolarHBondContact OD1-CA 3.37Å; D260-A285 VanDerWaalsContact OD1-CB 3.26Å; D260-A285 WeakPolarHBondContact OD1-CB 2.99Å; D260-A285 PolarHBondContact OD1-N 2.98Å; D260-S286 PolarHBondContact OD1-N 3.28Å; D260-S286 VanDerWaalsContact OD2-CB 3.24Å; D260-S286 WeakPolarHBondContact OD2-CB 3.22Å; D260-S286 PolarHBondContact OD2-N 3.36Å; D260-S286 PolarHBondContact OD2-OG 2.75Å
261	E	92.4	Very high	95.1	Very high	78 Å²	78	61.7 Å²	61.7	36%	0.364	33%	0.328	S	S	.	.	S	Bend	trans	-69.3	-22.1	176.5	-63.2	-75.3	-177.5	0	0	111.9	R138 F282	R138-E261 IonicContact CZ-OE1 3.87Å; R138-E261 IonicContact NH1-OE2 3.5Å; R138-E261 IonicContact NH2-OE1 3.34Å; R138-E261 PolarHBondContact NH2-OE1 2.87Å; R138-E261 IonicContact NH2-OE2 3.77Å; E261-F282 HydrophobicContact CB-CB 4.23Å; E261-F282 HydrophobicContact CB-CD1 3.89Å; E261-F282 HydrophobicContact CG-CD1 4.16Å; E261-F282 PolarHBondContact N-O 3.48Å
262	Y	91.9	Very high	94.9	Very high	98 Å²	98	66.3 Å²	66.3	38%	0.384	35%	0.348	S	S	.	.	S	Bend	trans	-103.4	135.6	174.9	-69.7	-15.6	0	0	0	111.8	D260 N264 C265 Q268 F282	D260-Y262 PolarHBondContact O-N 2.95Å; Y262-N264 PolarHBondContact O-N 2.74Å; Y262-C265 PolarHBondContact O-SG 3.17Å; Y262-Q268 HydrophobicContact CD2-CG 4.46Å; Y262-F282 HydrophobicContact CD1-CB 4.25Å; Y262-F282 HydrophobicContact CD2-CB 3.72Å; Y262-F282 HydrophobicContact CD2-CG 4.46Å; Y262-F282 HydrophobicContact CE1-CB 4.24Å; Y262-F282 HydrophobicContact CE1-CD1 4.38Å; Y262-F282 HydrophobicContact CE1-CG 4.16Å; Y262-F282 HydrophobicContact CE2-CB 3.71Å; Y262-F282 AromaticContact CE2-CD2 3.97Å; Y262-F282 HydrophobicContact CE2-CD2 3.97Å; Y262-F282 AromaticContact CE2-CG 3.99Å; Y262-F282 HydrophobicContact CE2-CG 3.99Å; Y262-F282 HydrophobicContact CG-CB 4.01Å; Y262-F282 AromaticContact CZ-CD2 3.82Å; Y262-F282 AromaticContact CZ-CG 3.82Å; Y262-F282 PolarHBondContact N-O 2.96Å
263	N	89.2	Confident	94.8	Very high	155 Å²	155	67.4 Å²	67.4	83%	0.829	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-3.4	174.2	66.6	3.2	0	0	0	114.2
264	N	92.4	Very high	94.7	Very high	56 Å²	56	66.2 Å²	66.2	30%	0.299	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-119.9	26.8	-175.2	70.3	-4	0	0	0	113	Y262 D266 K267 Q268	Y262-N264 PolarHBondContact O-N 2.74Å; N264-D266 VanDerWaalsContact C-N 3.25Å; N264-D266 PolarHBondContact O-N 3.27Å; N264-K267 WeakPolarHBondContact O-CB 3.45Å; N264-K267 PolarHBondContact O-N 3.49Å; N264-Q268 PolarHBondContact O-N 3.07Å; N264-Q268 VanDerWaalsContact O-N 3.16Å
265	C	94.8	Very high	94.6	Very high	5 Å²	5	70.8 Å²	70.8	3%	0.034	39%	0.387	C	S	.	.	H	α-helix	trans	-56.6	-36	-176	-75.6	0	0	0	0	113.7	D260 Y262 K267 Q268 L269 C283	D260-C265 HydrophobicContact CB-CB 4.49Å; D260-C265 VanDerWaalsContact CG-SG 3.58Å; Y262-C265 PolarHBondContact O-SG 3.17Å; C265-K267 VanDerWaalsContact C-N 3.26Å; C265-K267 PolarHBondContact O-N 3.3Å; C265-Q268 PolarHBondContact O-N 3.25Å; C265-Q268 VanDerWaalsContact O-N 3.08Å; C265-L269 HydrophobicContact CB-CD1 4.22Å; C265-L269 WeakPolarHBondContact O-CB 3.26Å; C265-L269 WeakPolarHBondContact O-CD1 3.28Å; C265-L269 PolarHBondContact O-N 2.63Å; C265-C283 WeakPolarHBondContact CA-SG 3.32Å; C265-C283 HydrophobicContact CB-CB 3.57Å; C265-C283 WeakPolarHBondContact CB-SG 3.17Å; C265-C283 WeakPolarHBondContact SG-CA 3.35Å; C265-C283 WeakPolarHBondContact SG-CB 2.93Å; C265-C283 CovalentContact SG-SG 2.03Å; C265-C283 PolarHBondContact SG-SG 3.41Å
266	D	93.3	Very high	94.5	Very high	124 Å²	124	72.3 Å²	72.3	66%	0.663	39%	0.391	S	S	*	.	H	α-helix	trans	-55	-41.6	174.1	-61.6	-32.9	0	0	0	112.6	N264 A270	N264-D266 VanDerWaalsContact C-N 3.25Å; N264-D266 PolarHBondContact O-N 3.27Å; D266-A270 WeakPolarHBondContact O-CB 3.45Å; D266-A270 PolarHBondContact O-N 3.16Å; D266-A270 VanDerWaalsContact O-N 3.12Å
267	K	94.8	Very high	94.4	Very high	154 Å²	154	77.1 Å²	77.1	67%	0.67	42%	0.422	S	S	*	.	H	α-helix	trans	-72.3	-38.4	177.9	-62.2	-178.8	-177.7	175.5	0	111.9	N264 C265 A270 T271	N264-K267 WeakPolarHBondContact O-CB 3.45Å; N264-K267 PolarHBondContact O-N 3.49Å; C265-K267 VanDerWaalsContact C-N 3.26Å; C265-K267 PolarHBondContact O-N 3.3Å; K267-A270 PolarHBondContact O-N 2.87Å; K267-T271 WeakPolarHBondContact O-CB 3.48Å; K267-T271 PolarHBondContact O-N 3.11Å; K267-T271 VanDerWaalsContact O-N 3.12Å; K267-T271 PolarHBondContact O-OG1 2.73Å
268	Q	95.6	Very high	94.5	Very high	41 Å²	41	75.9 Å²	75.9	19%	0.192	42%	0.417	C	S	.	.	H	α-helix	trans	-65.7	-43.9	178.9	-65.8	-65	-20.3	0	0	110.9	Y262 N264 C265 T271 K272 V279	Y262-Q268 HydrophobicContact CD2-CG 4.46Å; N264-Q268 PolarHBondContact O-N 3.07Å; N264-Q268 VanDerWaalsContact O-N 3.16Å; C265-Q268 PolarHBondContact O-N 3.25Å; C265-Q268 VanDerWaalsContact O-N 3.08Å; Q268-T271 PolarHBondContact O-N 2.92Å; Q268-K272 PolarHBondContact O-N 3.36Å; Q268-V279 HydrophobicContact CB-CG1 4.24Å; Q268-V279 HydrophobicContact CB-CG2 4.03Å
269	L	94.8	Very high	94.5	Very high	40 Å²	40	72.1 Å²	72.1	21%	0.209	40%	0.402	C	S	.	.	H	α-helix	trans	-62.7	-45.7	177.1	-89.5	73.6	0	0	0	111.1	C265 T271 G273 V279 C283	C265-L269 HydrophobicContact CB-CD1 4.22Å; C265-L269 WeakPolarHBondContact O-CB 3.26Å; C265-L269 WeakPolarHBondContact O-CD1 3.28Å; C265-L269 PolarHBondContact O-N 2.63Å; L269-T271 VanDerWaalsContact C-N 3.28Å; L269-T271 PolarHBondContact O-N 2.87Å; L269-G273 VanDerWaalsContact O-CA 3.24Å; L269-G273 WeakPolarHBondContact O-CA 3.23Å; L269-G273 PolarHBondContact O-N 3.21Å; L269-V279 HydrophobicContact CD1-CG1 3.55Å; L269-V279 HydrophobicContact CG-CG1 4.2Å; L269-C283 HydrophobicContact CD1-CB 3.72Å
270	A	95.4	Very high	94.5	Very high	89 Å²	89	73.6 Å²	73.6	74%	0.736	41%	0.413	S	S	*	.	H	α-helix	trans	-62.5	-34.1	178.6	0	0	0	0	0	113.2	D266 K267	D266-A270 WeakPolarHBondContact O-CB 3.45Å; D266-A270 PolarHBondContact O-N 3.16Å; D266-A270 VanDerWaalsContact O-N 3.12Å; K267-A270 PolarHBondContact O-N 2.87Å
271	T	95.6	Very high	94.5	Very high	115 Å²	115	77.5 Å²	77.5	71%	0.706	43%	0.433	S	S	*	.	H	α-helix	trans	-87.2	-42	-175.3	-51.5	0	0	0	0	113	K267 Q268 L269	K267-T271 WeakPolarHBondContact O-CB 3.48Å; K267-T271 PolarHBondContact O-N 3.11Å; K267-T271 VanDerWaalsContact O-N 3.12Å; K267-T271 PolarHBondContact O-OG1 2.73Å; Q268-T271 PolarHBondContact O-N 2.92Å; L269-T271 VanDerWaalsContact C-N 3.28Å; L269-T271 PolarHBondContact O-N 2.87Å
272	K	96.2	Very high	94.6	Very high	98 Å²	98	77.1 Å²	77.1	43%	0.426	43%	0.43	S	S	.	.	H	α-helix	trans	-119.5	-19.9	-168.2	-61.8	177.9	176.6	-175.1	0	113.7	Q268 H276 V279	Q268-K272 PolarHBondContact O-N 3.36Å; K272-H276 HydrophobicContact CB-CB 3.83Å; K272-V279 HydrophobicContact CB-CG2 3.96Å; K272-V279 HydrophobicContact CD-CG2 4.06Å
273	G	95.8	Very high	94.8	Very high	24 Å²	24	72.5 Å²	72.5	25%	0.247	41%	0.412	C	S	.	.			trans	69.8	169.4	-173.4	0	0	0	0	0	114	L269 S275 H276	L269-G273 VanDerWaalsContact O-CA 3.24Å; L269-G273 WeakPolarHBondContact O-CA 3.23Å; L269-G273 PolarHBondContact O-N 3.21Å; G273-S275 VanDerWaalsContact C-N 3.26Å; G273-S275 PolarHBondContact O-N 3.26Å; G273-H276 PolarHBondContact O-N 3.43Å
274	C	96.4	Very high	95.1	Very high	37 Å²	37	67.7 Å²	67.7	25%	0.25	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-9.5	-178.6	-71.6	0	0	0	0	114.8	H276 C287	C274-H276 VanDerWaalsContact C-N 3.27Å; C274-C287 WeakPolarHBondContact CA-SG 3.43Å; C274-C287 HydrophobicContact CB-CB 3.71Å; C274-C287 WeakPolarHBondContact CB-SG 2.85Å; C274-C287 WeakPolarHBondContact SG-CA 3.42Å; C274-C287 WeakPolarHBondContact SG-CB 3.08Å; C274-C287 CovalentContact SG-SG 2.05Å; C274-C287 PolarHBondContact SG-SG 3.42Å
275	S	96.1	Very high	95.2	Very high	112 Å²	112	65.2 Å²	65.2	78%	0.783	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-18	172.7	54.2	0	0	0	0	112.4	G273 P277	G273-S275 VanDerWaalsContact C-N 3.26Å; G273-S275 PolarHBondContact O-N 3.26Å; S275-P277 WeakPolarHBondContact O-CD 3.4Å
276	H	96.8	Very high	95.3	Very high	68 Å²	68	65.2 Å²	65.2	32%	0.315	37%	0.371	S	S	.	.	S	Bend	trans	-71.3	123.4	177.1	-174.8	-70.5	0	0	0	110.2	K272 G273 C274 A278 V279 L280	K272-H276 HydrophobicContact CB-CB 3.83Å; G273-H276 PolarHBondContact O-N 3.43Å; C274-H276 VanDerWaalsContact C-N 3.27Å; H276-A278 VanDerWaalsContact C-N 3.34Å; H276-A278 PolarHBondContact ND1-N 3.44Å; H276-A278 PolarHBondContact O-N 2.78Å; H276-A278 VanDerWaalsContact O-N 3.17Å; H276-V279 HydrophobicContact CB-CB 4.24Å; H276-V279 HydrophobicContact CB-CG2 3.94Å; H276-V279 PolarHBondContact O-N 3.02Å; H276-L280 PolarHBondContact O-N 3.44Å
277	P	95.3	Very high	95.4	Very high	102 Å²	102	59.7 Å²	59.7	66%	0.662	34%	0.343	S	S	*	.	H	α-helix	trans	-54.3	-43.2	-171.1	-29.5	35	0	0	0	114.7	S275 V279 L280 L281	S275-P277 WeakPolarHBondContact O-CD 3.4Å; P277-V279 VanDerWaalsContact C-N 3.33Å; P277-V279 PolarHBondContact O-N 3.48Å; P277-L280 PolarHBondContact O-N 2.88Å; P277-L281 WeakPolarHBondContact O-CB 3.42Å; P277-L281 PolarHBondContact O-N 2.99Å
278	A	94.7	Very high	95.4	Very high	37 Å²	37	56 Å²	56	31%	0.306	33%	0.33	S	S	.	.	H	α-helix	trans	-66.1	-34.3	177.5	0	0	0	0	0	113	H276 L281 F282	H276-A278 VanDerWaalsContact C-N 3.34Å; H276-A278 PolarHBondContact ND1-N 3.44Å; H276-A278 PolarHBondContact O-N 2.78Å; H276-A278 VanDerWaalsContact O-N 3.17Å; A278-L281 PolarHBondContact O-N 3.48Å; A278-F282 HydrophobicContact CB-CD2 4.38Å; A278-F282 WeakPolarHBondContact O-CD2 3.36Å; A278-F282 PolarHBondContact O-N 2.94Å
279	V	95.8	Very high	95.4	Very high	2 Å²	2	54.4 Å²	54.4	1%	0.012	32%	0.323	C	S	.	.	H	α-helix	trans	-72.3	-43	178.7	-178.4	0	0	0	0	109.4	Q268 L269 K272 H276 P277 L281 C283	Q268-V279 HydrophobicContact CB-CG1 4.24Å; Q268-V279 HydrophobicContact CB-CG2 4.03Å; L269-V279 HydrophobicContact CD1-CG1 3.55Å; L269-V279 HydrophobicContact CG-CG1 4.2Å; K272-V279 HydrophobicContact CB-CG2 3.96Å; K272-V279 HydrophobicContact CD-CG2 4.06Å; H276-V279 HydrophobicContact CB-CB 4.24Å; H276-V279 HydrophobicContact CB-CG2 3.94Å; H276-V279 PolarHBondContact O-N 3.02Å; P277-V279 VanDerWaalsContact C-N 3.33Å; P277-V279 PolarHBondContact O-N 3.48Å; V279-L281 PolarHBondContact O-N 2.9Å; V279-C283 HydrophobicContact CG1-CB 4.01Å; V279-C283 CarbonylContact O-C 3.31Å; V279-C283 VanDerWaalsContact O-CA 3.3Å; V279-C283 WeakPolarHBondContact O-CA 3.21Å; V279-C283 WeakPolarHBondContact O-CB 3.28Å; V279-C283 PolarHBondContact O-N 3.25Å
280	L	93.8	Very high	95.3	Very high	79 Å²	79	59.2 Å²	59.2	41%	0.414	34%	0.342	S	S	.	.	H	α-helix	trans	-59.4	-36.6	175.2	-173.6	59.8	0	0	0	112.6	H276 P277 C287 L288	H276-L280 PolarHBondContact O-N 3.44Å; P277-L280 PolarHBondContact O-N 2.88Å; L280-C287 HydrophobicContact CD1-CB 4.17Å; L280-L288 HydrophobicContact CD1-CD2 4.1Å
281	L	93	Very high	95.3	Very high	114 Å²	114	59.8 Å²	59.8	60%	0.597	34%	0.337	S	S	*	.	H	α-helix	trans	-76	-47.9	-178.8	-175.9	62	0	0	0	113	P277 A278 V279	P277-L281 WeakPolarHBondContact O-CB 3.42Å; P277-L281 PolarHBondContact O-N 2.99Å; A278-L281 PolarHBondContact O-N 3.48Å; V279-L281 PolarHBondContact O-N 2.9Å
282	F	94.9	Very high	95.4	Very high	70 Å²	70	57.4 Å²	57.4	31%	0.307	32%	0.318	S	S	.	.	H	α-helix	trans	-97.2	-12.4	-172.2	-63	-66.6	0	0	0	114.1	D260 E261 Y262 A278	D260-F282 CarbonylContact C-O 3.53Å; E261-F282 HydrophobicContact CB-CB 4.23Å; E261-F282 HydrophobicContact CB-CD1 3.89Å; E261-F282 HydrophobicContact CG-CD1 4.16Å; E261-F282 PolarHBondContact N-O 3.48Å; Y262-F282 HydrophobicContact CD1-CB 4.25Å; Y262-F282 HydrophobicContact CD2-CB 3.72Å; Y262-F282 HydrophobicContact CD2-CG 4.46Å; Y262-F282 HydrophobicContact CE1-CB 4.24Å; Y262-F282 HydrophobicContact CE1-CD1 4.38Å; Y262-F282 HydrophobicContact CE1-CG 4.16Å; Y262-F282 HydrophobicContact CE2-CB 3.71Å; Y262-F282 AromaticContact CE2-CD2 3.97Å; Y262-F282 HydrophobicContact CE2-CD2 3.97Å; Y262-F282 AromaticContact CE2-CG 3.99Å; Y262-F282 HydrophobicContact CE2-CG 3.99Å; Y262-F282 HydrophobicContact CG-CB 4.01Å; Y262-F282 AromaticContact CZ-CD2 3.82Å; Y262-F282 AromaticContact CZ-CG 3.82Å; Y262-F282 PolarHBondContact N-O 2.96Å; A278-F282 HydrophobicContact CB-CD2 4.38Å; A278-F282 WeakPolarHBondContact O-CD2 3.36Å; A278-F282 PolarHBondContact O-N 2.94Å
283	C	96.4	Very high	95.5	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	30%	0.301	C	S	.	.	B	Isolated β-bridge	trans	-121.7	43.7	177.2	-62.8	0	0	0	0	111.2	D260 C265 L269 V279 A285 S286 C287	D260-C283 WeakPolarHBondContact OD1-CA 3.39Å; C265-C283 WeakPolarHBondContact CA-SG 3.32Å; C265-C283 HydrophobicContact CB-CB 3.57Å; C265-C283 WeakPolarHBondContact CB-SG 3.17Å; C265-C283 WeakPolarHBondContact SG-CA 3.35Å; C265-C283 WeakPolarHBondContact SG-CB 2.93Å; C265-C283 CovalentContact SG-SG 2.03Å; C265-C283 PolarHBondContact SG-SG 3.41Å; L269-C283 HydrophobicContact CD1-CB 3.72Å; V279-C283 HydrophobicContact CG1-CB 4.01Å; V279-C283 CarbonylContact O-C 3.31Å; V279-C283 VanDerWaalsContact O-CA 3.3Å; V279-C283 WeakPolarHBondContact O-CA 3.21Å; V279-C283 WeakPolarHBondContact O-CB 3.28Å; V279-C283 PolarHBondContact O-N 3.25Å; C283-A285 PolarHBondContact O-N 3.39Å; C283-S286 PolarHBondContact O-N 3.1Å; C283-C287 WeakPolarHBondContact O-CB 3.33Å; C283-C287 PolarHBondContact O-N 3.48Å; C283-C287 PolarHBondContact O-SG 2.89Å
284	K	95.2	Very high	95.3	Very high	54 Å²	54	58 Å²	58	24%	0.235	31%	0.314	C	S	.	.	H	α-helix	trans	-64	-41.9	-171.3	-167.4	179.3	-179.9	-167.6	0	111.7	E141 Y258 D260 C287 L288	E141-K284 IonicContact OE1-NZ 3.79Å; E141-K284 PolarHBondContact OE1-NZ 3.09Å; E141-K284 IonicContact OE2-NZ 2.67Å; E141-K284 PolarHBondContact OE2-NZ 3.49Å; Y258-K284 HydrophobicContact CD1-CD 3.68Å; Y258-K284 HydrophobicContact CD1-CG 3.99Å; Y258-K284 HydrophobicContact CD2-CG 4.42Å; Y258-K284 HydrophobicContact CE1-CD 4.27Å; Y258-K284 HydrophobicContact CG-CD 4.06Å; Y258-K284 HydrophobicContact CG-CG 3.86Å; D260-K284 PolarHBondContact OD1-N 3.11Å; D260-K284 VanDerWaalsContact OD1-N 3.16Å; K284-C287 PolarHBondContact O-N 3.13Å; K284-L288 HydrophobicContact CD-CD1 4.48Å; K284-L288 HydrophobicContact CG-CD1 3.59Å; K284-L288 HydrophobicContact CG-CG 4.25Å; K284-L288 VanDerWaalsContact O-CB 3.27Å; K284-L288 WeakPolarHBondContact O-CB 3.35Å; K284-L288 WeakPolarHBondContact O-CG 3.36Å; K284-L288 PolarHBondContact O-N 3.47Å
285	A	95.6	Very high	95.2	Very high	4 Å²	4	59 Å²	59	3%	0.033	32%	0.317	C	S	.	.	H	α-helix	trans	-61.3	-49.1	174.3	0	0	0	0	0	110.5	C256 Y258 D260 C283 C287 L288 C289 K294	C256-A285 VanDerWaalsContact SG-CB 3.57Å; Y258-A285 WeakPolarHBondContact O-CB 3.16Å; D260-A285 WeakPolarHBondContact OD1-CA 3.37Å; D260-A285 VanDerWaalsContact OD1-CB 3.26Å; D260-A285 WeakPolarHBondContact OD1-CB 2.99Å; D260-A285 PolarHBondContact OD1-N 2.98Å; C283-A285 PolarHBondContact O-N 3.39Å; A285-C287 VanDerWaalsContact C-N 3.27Å; A285-C287 PolarHBondContact O-N 3.18Å; A285-L288 PolarHBondContact O-N 3.08Å; A285-C289 WeakPolarHBondContact O-CA 3.07Å; A285-C289 VanDerWaalsContact O-CB 3.25Å; A285-C289 WeakPolarHBondContact O-CB 3.43Å; A285-C289 PolarHBondContact O-N 3.1Å; A285-K294 HydrophobicContact CB-CD 4.46Å
286	S	95.6	Very high	95.2	Very high	5 Å²	5	56.2 Å²	56.2	4%	0.035	29%	0.292	C	S	.	.	H	α-helix	trans	-62.8	-32.6	178.4	-76.5	0	0	0	0	114.4	D260 C283 K290 K294	D260-S286 PolarHBondContact OD1-N 3.28Å; D260-S286 VanDerWaalsContact OD2-CB 3.24Å; D260-S286 WeakPolarHBondContact OD2-CB 3.22Å; D260-S286 PolarHBondContact OD2-N 3.36Å; D260-S286 PolarHBondContact OD2-OG 2.75Å; C283-S286 PolarHBondContact O-N 3.1Å; S286-K290 PolarHBondContact O-NZ 3.15Å; S286-K294 VanDerWaalsContact CA-NZ 3.34Å; S286-K294 PolarHBondContact OG-NZ 3.43Å
287	C	95.6	Very high	95.1	Very high	9 Å²	9	55.6 Å²	55.6	6%	0.061	29%	0.291	C	S	.	.	H	α-helix	trans	-83	-37.6	179.7	-76.8	0	0	0	0	114.3	C274 L280 C283 K284 A285 K290	C274-C287 WeakPolarHBondContact CA-SG 3.43Å; C274-C287 HydrophobicContact CB-CB 3.71Å; C274-C287 WeakPolarHBondContact CB-SG 2.85Å; C274-C287 WeakPolarHBondContact SG-CA 3.42Å; C274-C287 WeakPolarHBondContact SG-CB 3.08Å; C274-C287 CovalentContact SG-SG 2.05Å; C274-C287 PolarHBondContact SG-SG 3.42Å; L280-C287 HydrophobicContact CD1-CB 4.17Å; C283-C287 WeakPolarHBondContact O-CB 3.33Å; C283-C287 PolarHBondContact O-N 3.48Å; C283-C287 PolarHBondContact O-SG 2.89Å; K284-C287 PolarHBondContact O-N 3.13Å; A285-C287 VanDerWaalsContact C-N 3.27Å; A285-C287 PolarHBondContact O-N 3.18Å; C287-K290 WeakPolarHBondContact O-CE 3.26Å; C287-K290 PolarHBondContact O-NZ 3.38Å
288	L	95.1	Very high	95.1	Very high	77 Å²	77	52.8 Å²	52.8	40%	0.403	27%	0.269	S	S	.	.	H	α-helix	trans	-103.6	-28.1	-169.8	-57.3	-175.8	0	0	0	113.6	Y258 L280 K284 A285	Y258-L288 HydrophobicContact CD2-CB 3.65Å; Y258-L288 HydrophobicContact CD2-CD1 3.96Å; Y258-L288 HydrophobicContact CD2-CG 4.39Å; Y258-L288 HydrophobicContact CE1-CD1 4.47Å; Y258-L288 HydrophobicContact CE2-CB 3.59Å; Y258-L288 HydrophobicContact CE2-CD1 3.61Å; Y258-L288 HydrophobicContact CE2-CG 4.25Å; L280-L288 HydrophobicContact CD1-CD2 4.1Å; K284-L288 HydrophobicContact CD-CD1 4.48Å; K284-L288 HydrophobicContact CG-CD1 3.59Å; K284-L288 HydrophobicContact CG-CG 4.25Å; K284-L288 VanDerWaalsContact O-CB 3.27Å; K284-L288 WeakPolarHBondContact O-CB 3.35Å; K284-L288 WeakPolarHBondContact O-CG 3.36Å; K284-L288 PolarHBondContact O-N 3.47Å; A285-L288 PolarHBondContact O-N 3.08Å
289	C	95.4	Very high	95.1	Very high	7 Å²	7	53.8 Å²	53.8	5%	0.047	27%	0.267	C	S	.	.			trans	-93.4	115.3	177.4	-61.9	0	0	0	0	110.3	C256 A285 E292	C256-C289 VanDerWaalsContact CA-SG 3.51Å; C256-C289 HydrophobicContact CB-CB 3.68Å; C256-C289 WeakPolarHBondContact CB-SG 3.3Å; C256-C289 WeakPolarHBondContact SG-CB 3.39Å; C256-C289 CovalentContact SG-SG 2.02Å; C256-C289 PolarHBondContact SG-SG 3.37Å; A285-C289 WeakPolarHBondContact O-CA 3.07Å; A285-C289 VanDerWaalsContact O-CB 3.25Å; A285-C289 WeakPolarHBondContact O-CB 3.43Å; A285-C289 PolarHBondContact O-N 3.1Å; C289-E292 WeakPolarHBondContact CA-OE2 3.48Å; C289-E292 HydrophobicContact CB-CB 4.11Å
290	K	93.6	Very high	95.1	Very high	140 Å²	140	57.3 Å²	57.3	61%	0.609	28%	0.284	S	S	*	.	S	Bend	trans	-113.4	-29	-176.7	-60.3	-55.5	177.6	-161	0	112.8	S286 C287 E292	S286-K290 PolarHBondContact O-NZ 3.15Å; C287-K290 WeakPolarHBondContact O-CE 3.26Å; C287-K290 PolarHBondContact O-NZ 3.38Å; K290-E292 PolarHBondContact N-OE2 3.37Å
291	T	95.2	Very high	95.2	Very high	102 Å²	102	55.7 Å²	55.7	63%	0.626	28%	0.275	S	S	*	.	S	Bend	trans	-119	-19.3	-177.2	47.1	0	0	0	0	112.1	N254	N254-T291 PolarHBondContact ND2-O 3.16Å; N254-T291 VanDerWaalsContact ND2-O 3.11Å
292	E	97.7	Very high	95.3	Very high	65 Å²	65	51.2 Å²	51.2	30%	0.304	25%	0.25	S	C	.	.	S	Bend	trans	-75.3	150.8	-179.4	-58.1	81.7	175	0	0	112	N254 C256 C289 K290	N254-E292 CarbonylContact O-C 3.23Å; N254-E292 WeakPolarHBondContact O-CA 3.46Å; N254-E292 VanDerWaalsContact O-CB 3.27Å; N254-E292 WeakPolarHBondContact O-CB 3.44Å; C256-E292 HydrophobicContact CB-CB 3.92Å; C289-E292 WeakPolarHBondContact CA-OE2 3.48Å; C289-E292 HydrophobicContact CB-CB 4.11Å; K290-E292 PolarHBondContact N-OE2 3.37Å
293	I	97.8	Very high	95.4	Very high	14 Å²	14	49.7 Å²	49.7	7%	0.072	25%	0.245	C	C	.	.	B	Isolated β-bridge	trans	-74.4	130.6	173.7	-52.8	-55.4	0	0	0	109.4	N106 L108 T195 D242 C243 C252 N254 C256	N106-I293 HydrophobicContact CB-CD1 4.1Å; N106-I293 HydrophobicContact CB-CG2 4.21Å; L108-I293 HydrophobicContact CD1-CB 4.04Å; L108-I293 HydrophobicContact CD1-CG2 4.02Å; L108-I293 HydrophobicContact CD2-CB 3.91Å; L108-I293 HydrophobicContact CD2-CG1 4.05Å; L108-I293 HydrophobicContact CG-CB 3.97Å; L108-I293 HydrophobicContact CG-CG1 4.4Å; L108-I293 HydrophobicContact CG-CG2 4.03Å; T195-I293 HydrophobicContact CG2-CG2 4.39Å; D242-I293 HydrophobicContact CB-CD1 3.79Å; C243-I293 HydrophobicContact CB-CD1 4.42Å; C252-I293 HydrophobicContact CB-CG1 3.99Å; N254-I293 PolarHBondContact O-N 3.04Å; C256-I293 WeakPolarHBondContact CB-O 3.43Å; C256-I293 PolarHBondContact N-O 3.46Å
294	K	91.3	Very high	95.3	Very high	119 Å²	119	54.2 Å²	54.2	52%	0.517	27%	0.267	S	S	.	.			trans	-138.9	0	176.9	67.3	174.8	-173.1	174.1	0	111.1	T195 C256 A285 S286	T195-K294 WeakPolarHBondContact CG2-OXT 3.29Å; C256-K294 HydrophobicContact CB-CB 3.86Å; A285-K294 HydrophobicContact CB-CD 4.46Å; S286-K294 VanDerWaalsContact CA-NZ 3.34Å; S286-K294 PolarHBondContact OG-NZ 3.43Å

Retrieved 294 of 294 residues in 86.1 ms (Link to these results)

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