X6RB12_HUMAN Loading...

CD209 molecule

(Microbial infection) Acts as an attachment receptor for Ebolavirus. (Microbial infection) Acts as an attachment receptor for Japanese encephalitis virus. (Microbial infection) Acts as an attachment receptor for SARS-CoV. (Microbial infection) Acts as an attachment receptor for West-nile virus.

AlphaFold DB , UniProt , Accession X6RB12, Species HUMAN (Homo sapiens, Human), Gene CD209, Length 243 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.7	Very low	36.3	Very low	244 Å²	244	165 Å²	165	100%	1.202	83%	0.829	S	S	*	*				0	117.9	0	-90.2	141.9	79.2	0	0	107.2
2	S	36.3	Very low	35.9	Very low	111 Å²	111	164.5 Å²	164.5	78%	0.776	83%	0.829	S	S	*	*			trans	9.9	147.9	155.8	-64.1	0	0	0	0	119.3
3	D	34.1	Very low	35.5	Very low	141 Å²	141	157.2 Å²	157.2	75%	0.754	82%	0.82	S	S	*	*			cis	-166.1	163.4	11.6	-135.3	-46	0	0	0	110.1
4	S	35.3	Very low	35.3	Very low	99 Å²	99	159.1 Å²	159.1	69%	0.692	83%	0.83	S	S	*	*			trans	-51.9	154.6	167.9	-54.5	0	0	0	0	113.7
5	K	34.9	Very low	35	Very low	215 Å²	215	160.1 Å²	160.1	94%	0.935	84%	0.836	S	S	*	*			trans	-155.3	99.9	146.6	-109.6	169.5	-168.9	-178	0	111.1
6	E	44.2	Very low	35	Very low	176 Å²	176	160.8 Å²	160.8	82%	0.822	83%	0.833	S	S	*	*			trans	-92.3	-171.7	157.4	-146.6	-160.2	152	0	0	108.8
7	P	42.4	Very low	35	Very low	110 Å²	110	160.2 Å²	160.2	71%	0.714	83%	0.826	S	S	*	*				-107.7	-176.3	-111.2	37.6	-20.3	0	0	0	114.1
8	R	35.4	Very low	34.9	Very low	246 Å²	246	161.3 Å²	161.3	93%	0.928	83%	0.827	S	S	*	*			trans	-66.5	135.7	-173.7	-67.8	179.1	178.6	174.3	-0.9	114.5
9	L	31.4	Very low	34.8	Very low	142 Å²	142	162.1 Å²	162.1	74%	0.743	83%	0.826	S	S	*	*			trans	-34.6	158.9	149.1	-67.4	152.7	0	0	0	113.7
10	Q	34.5	Very low	34.6	Very low	146 Å²	146	161.9 Å²	161.9	68%	0.682	83%	0.827	S	S	*	*			cis	-172.6	160.6	18	-127.1	149.4	-13.2	0	0	107.9
11	Q	34.6	Very low	34.5	Very low	185 Å²	185	166 Å²	166	86%	0.864	83%	0.832	S	S	*	*			trans	148.7	85.5	134.6	-153.3	131.8	-1.8	0	0	109.4
12	L	31.6	Very low	34.2	Very low	159 Å²	159	157.9 Å²	157.9	83%	0.832	81%	0.81	S	S	*	*				49.1	112.4	81.2	-96.6	157	0	0	0	115.6
13	G	30	Very low	34	Very low	69 Å²	69	161.4 Å²	161.4	71%	0.711	82%	0.82	S	S	*	*			trans	122.1	73.4	146.7	0	0	0	0	0	117
14	L	33.2	Very low	33.9	Very low	185 Å²	185	157.7 Å²	157.7	97%	0.969	82%	0.815	S	S	*	*			trans	-94.7	110.5	154	-77.6	171.6	0	0	0	107.3
15	L	30.9	Very low	33.6	Very low	173 Å²	173	162.3 Å²	162.3	91%	0.906	82%	0.822	S	S	*	*			trans	-83.6	126.7	172.1	-76.5	164.4	0	0	0	109.3
16	E	35.4	Very low	33.5	Very low	171 Å²	171	162.8 Å²	162.8	80%	0.799	82%	0.818	S	S	*	*			trans	-54.3	155.8	157.6	-75.5	165.5	121.1	0	0	111.6
17	E	34.5	Very low	33.1	Very low	152 Å²	152	163.4 Å²	163.4	71%	0.71	82%	0.821	S	S	*	*				-173.7	102.7	119.2	-93.4	-98.2	140.2	0	0	109.2
18	E	32.8	Very low	32.6	Very low	179 Å²	179	164.4 Å²	164.4	84%	0.836	83%	0.826	S	S	*	*			trans	-55.3	124.8	145.6	-68.5	175.5	121.8	0	0	109.1
19	Q	33.2	Very low	32.5	Very low	176 Å²	176	164.7 Å²	164.7	82%	0.822	83%	0.827	S	S	*	*			trans	-118	83	160.7	-78.3	-165.8	-19.3	0	0	110
20	L	30.6	Very low	33	Very low	159 Å²	159	161 Å²	161	83%	0.832	82%	0.823	S	S	*	*			trans	-124.6	111.2	160.3	-102.1	155.6	0	0	0	108.4
21	R	33.2	Very low	33	Very low	249 Å²	249	165.4 Å²	165.4	94%	0.94	84%	0.835	S	S	*	*			trans	108.5	107.6	157.4	-59.7	177.4	-176	-145.6	1.2	118
22	G	30.6	Very low	33.2	Very low	72 Å²	72	165.9 Å²	165.9	74%	0.742	83%	0.834	S	S	*	*			trans	-153.2	139.4	136.9	0	0	0	0	0	105.8
23	L	31.7	Very low	33.8	Very low	186 Å²	186	163.6 Å²	163.6	97%	0.974	83%	0.832	S	S	*	*			cis	-151.8	147.9	16.8	-67.2	147.6	0	0	0	103.6
24	G	32.5	Very low	34.4	Very low	63 Å²	63	168.5 Å²	168.5	65%	0.649	84%	0.841	S	S	*	*			cis	138.3	146.1	42.9	0	0	0	0	0	107.2
25	F	28.9	Very low	34.6	Very low	195 Å²	195	164.2 Å²	164.2	86%	0.855	83%	0.832	S	S	*	*			trans	93.3	110	161.7	-72.7	-85.7	0	0	0	122.5
26	R	32.2	Very low	34.9	Very low	226 Å²	226	159.1 Å²	159.1	85%	0.853	82%	0.822	S	S	*	*				96.8	106	125.8	-99.8	169.6	-174.9	-161.3	1.9	119
27	Q	36.1	Very low	35.2	Very low	188 Å²	188	156.6 Å²	156.6	88%	0.879	82%	0.822	S	S	*	*			trans	-68.4	128.2	157.3	-152.6	178.4	38.5	0	0	110
28	T	31.8	Very low	35.6	Very low	132 Å²	132	157.2 Å²	157.2	81%	0.81	83%	0.829	S	S	*	*			trans	-145.9	115.5	145.3	50.5	0	0	0	0	111
29	R	33.6	Very low	36	Very low	251 Å²	251	151.5 Å²	151.5	95%	0.947	82%	0.818	S	S	*	*			trans	33.8	121.3	133.5	-138.6	167.3	-166.7	162.3	2.7	118.6
30	G	40.6	Very low	36.9	Very low	65 Å²	65	150.8 Å²	150.8	67%	0.67	81%	0.814	S	S	*	*			trans	-74	173.7	-171	0	0	0	0	0	116.8
31	Y	34.8	Very low	38.1	Very low	239 Å²	239	145.5 Å²	145.5	94%	0.937	80%	0.799	S	S	*	*			trans	-140.9	148.4	153.6	-102.8	-91.4	0	0	0	109.7
32	K	40.1	Very low	39.3	Very low	194 Å²	194	138.1 Å²	138.1	84%	0.843	78%	0.783	S	S	*	*			trans	-66.4	157	-167.5	-66.7	166.6	173.4	176.1	0	112.4
33	S	43.5	Very low	40.6	Very low	112 Å²	112	140.7 Å²	140.7	78%	0.783	78%	0.779	S	S	*	*			trans	-26.1	127.1	157.8	-177.1	0	0	0	0	114.1
34	L	42.8	Very low	42.3	Very low	171 Å²	171	135.2 Å²	135.2	90%	0.895	75%	0.753	S	S	*	*			trans	-142.5	99.4	149	-98.8	160	0	0	0	107.3
35	A	37.9	Very low	44	Very low	95 Å²	95	138.1 Å²	138.1	79%	0.785	75%	0.753	S	S	*	*			trans	-59.9	139.7	160.8	0	0	0	0	0	109.5
36	G	37.1	Very low	46	Very low	67 Å²	67	134.8 Å²	134.8	69%	0.691	74%	0.74	S	S	*	*			trans	164	95.3	167.1	0	0	0	0	0	115.1
37	C	40.3	Very low	47.9	Very low	118 Å²	118	128.8 Å²	128.8	80%	0.797	72%	0.724	S	S	*	*			trans	90.3	106.5	142.5	-57.6	0	0	0	0	119.3
38	L	42.9	Very low	49.8	Very low	164 Å²	164	124.6 Å²	124.6	86%	0.859	71%	0.707	S	S	*	*				68.8	96.4	125.6	-68.1	159.4	0	0	0	117.7
39	G	42.2	Very low	52.1	Low	59 Å²	59	121.2 Å²	121.2	61%	0.608	69%	0.689	S	S	*	*			trans	-173.3	102.3	147.5	0	0	0	0	0	110	G41 P42	G39-G41 PolarHBondContact O-N 3.07Å; G39-P42 WeakPolarHBondContact O-CD 3.02Å
40	H	51.3	Low	54.1	Low	161 Å²	161	116.2 Å²	116.2	75%	0.745	68%	0.675	S	S	*	*			trans	-63.3	19.6	178.5	-83.4	61.7	0	0	0	114.3	V44	H40-V44 WeakPolarHBondContact O-CB 3.37Å; H40-V44 WeakPolarHBondContact O-CG2 3.34Å
41	G	56.8	Low	55.8	Low	49 Å²	49	117.2 Å²	117.2	51%	0.505	67%	0.668	S	S	.	*	H	α-helix	trans	-76.4	-52	-174.4	0	0	0	0	0	116.2	G39 V44 L45	G39-G41 PolarHBondContact O-N 3.07Å; G41-V44 PolarHBondContact O-N 3.47Å; G41-L45 PolarHBondContact O-N 2.8Å
42	P	57.1	Low	57.8	Low	94 Å²	94	111.7 Å²	111.7	61%	0.61	65%	0.654	S	S	*	*	H	α-helix	trans	-76	-30.6	-171.3	26.5	-30.5	0	0	0	112.9	G39 Q46	G39-P42 WeakPolarHBondContact O-CD 3.02Å; P42-Q46 WeakPolarHBondContact O-CB 3.31Å; P42-Q46 WeakPolarHBondContact O-CG 3.37Å; P42-Q46 PolarHBondContact O-N 3.42Å
43	L	57.8	Low	59.5	Low	125 Å²	125	107.1 Å²	107.1	65%	0.654	64%	0.638	S	S	*	*	H	α-helix	trans	-69.8	-39.6	174.9	-111.8	145	0	0	0	111.6	L47	L43-L47 HydrophobicContact CD2-CD1 4.27Å; L43-L47 VanDerWaalsContact O-CB 3.26Å; L43-L47 WeakPolarHBondContact O-CB 3.35Å; L43-L47 WeakPolarHBondContact O-CD1 3.32Å; L43-L47 VanDerWaalsContact O-CG 3.23Å; L43-L47 WeakPolarHBondContact O-CG 3.18Å; L43-L47 PolarHBondContact O-N 3.02Å
44	V	67.8	Low	60.8	Low	71 Å²	71	104.2 Å²	104.2	43%	0.43	62%	0.621	S	S	.	*	H	α-helix	trans	-68.1	-40.2	175.8	172.9	0	0	0	0	110.9	H40 G41 L47 L48	H40-V44 WeakPolarHBondContact O-CB 3.37Å; H40-V44 WeakPolarHBondContact O-CG2 3.34Å; G41-V44 PolarHBondContact O-N 3.47Å; V44-L47 PolarHBondContact O-N 3.08Å; V44-L48 HydrophobicContact CG1-CD1 3.87Å; V44-L48 HydrophobicContact CG1-CG 4.3Å; V44-L48 VanDerWaalsContact O-CB 3.32Å; V44-L48 WeakPolarHBondContact O-CB 3.33Å; V44-L48 WeakPolarHBondContact O-CG 3.26Å; V44-L48 PolarHBondContact O-N 2.87Å
45	L	68	Low	62.1	Low	124 Å²	124	97.8 Å²	97.8	65%	0.649	60%	0.596	S	S	*	*	H	α-helix	trans	-68.3	-37.6	176.9	-158	75.4	0	0	0	112.5	G41 L48 S49	G41-L45 PolarHBondContact O-N 2.8Å; L45-L48 PolarHBondContact O-N 3.47Å; L45-S49 WeakPolarHBondContact O-CB 3.38Å; L45-S49 PolarHBondContact O-N 2.81Å
46	Q	71.7	Confident	63.5	Low	125 Å²	125	98.3 Å²	98.3	58%	0.584	59%	0.585	S	S	*	*	H	α-helix	trans	-68.2	-42.2	172.5	-74.8	-153	-21.7	0	0	112.1	P42 L48 S49 F50	P42-Q46 WeakPolarHBondContact O-CB 3.31Å; P42-Q46 WeakPolarHBondContact O-CG 3.37Å; P42-Q46 PolarHBondContact O-N 3.42Å; Q46-L48 VanDerWaalsContact C-N 3.34Å; Q46-L48 PolarHBondContact O-N 2.86Å; Q46-S49 PolarHBondContact O-N 3.48Å; Q46-F50 WeakPolarHBondContact O-CB 3.45Å; Q46-F50 VanDerWaalsContact O-CD2 3.26Å; Q46-F50 WeakPolarHBondContact O-CD2 3.36Å; Q46-F50 PolarHBondContact O-N 3.4Å
47	L	71.9	Confident	64.7	Low	101 Å²	101	100.1 Å²	100.1	53%	0.529	58%	0.578	S	S	.	*	H	α-helix	trans	-60.7	-43.3	173.5	-79.5	159.9	0	0	0	111.2	L43 V44 F50 T51	L43-L47 HydrophobicContact CD2-CD1 4.27Å; L43-L47 VanDerWaalsContact O-CB 3.26Å; L43-L47 WeakPolarHBondContact O-CB 3.35Å; L43-L47 WeakPolarHBondContact O-CD1 3.32Å; L43-L47 VanDerWaalsContact O-CG 3.23Å; L43-L47 WeakPolarHBondContact O-CG 3.18Å; L43-L47 PolarHBondContact O-N 3.02Å; V44-L47 PolarHBondContact O-N 3.08Å; L47-F50 PolarHBondContact O-N 2.86Å; L47-T51 VanDerWaalsContact O-CG2 3.29Å; L47-T51 WeakPolarHBondContact O-CG2 3.32Å; L47-T51 PolarHBondContact O-N 2.99Å; L47-T51 PolarHBondContact O-OG1 3.39Å; L47-T51 VanDerWaalsContact O-OG1 3.08Å
48	L	76.2	Confident	65.6	Low	99 Å²	99	98.7 Å²	98.7	52%	0.518	57%	0.566	S	S	.	*	H	α-helix	trans	-64.8	-39.9	175	-72.5	170.6	0	0	0	112.1	V44 L45 Q46 T51 L52	V44-L48 HydrophobicContact CG1-CD1 3.87Å; V44-L48 HydrophobicContact CG1-CG 4.3Å; V44-L48 VanDerWaalsContact O-CB 3.32Å; V44-L48 WeakPolarHBondContact O-CB 3.33Å; V44-L48 WeakPolarHBondContact O-CG 3.26Å; V44-L48 PolarHBondContact O-N 2.87Å; L45-L48 PolarHBondContact O-N 3.47Å; Q46-L48 VanDerWaalsContact C-N 3.34Å; Q46-L48 PolarHBondContact O-N 2.86Å; L48-T51 WeakPolarHBondContact CA-OG1 3.29Å; L48-T51 PolarHBondContact O-N 3.26Å; L48-T51 PolarHBondContact O-OG1 2.87Å; L48-L52 VanDerWaalsContact O-CB 3.31Å; L48-L52 WeakPolarHBondContact O-CB 3.13Å; L48-L52 PolarHBondContact O-N 3.5Å
49	S	79.1	Confident	66.2	Low	62 Å²	62	97.5 Å²	97.5	43%	0.434	56%	0.555	S	S	.	*	H	α-helix	trans	-64.5	-43.2	174.4	-176.8	0	0	0	0	111.7	L45 Q46 L52 L53	L45-S49 WeakPolarHBondContact O-CB 3.38Å; L45-S49 PolarHBondContact O-N 2.81Å; Q46-S49 PolarHBondContact O-N 3.48Å; S49-L52 PolarHBondContact O-N 3.28Å; S49-L53 VanDerWaalsContact O-CB 3.32Å; S49-L53 WeakPolarHBondContact O-CB 3.44Å; S49-L53 WeakPolarHBondContact O-CD1 3.26Å; S49-L53 PolarHBondContact O-N 3.5Å
50	F	75.6	Confident	66.8	Low	146 Å²	146	99.2 Å²	99.2	64%	0.64	55%	0.554	S	S	*	*	H	α-helix	trans	-67.3	-38.2	177.1	-91.3	-73.2	0	0	0	111.9	Q46 L47 A54	Q46-F50 WeakPolarHBondContact O-CB 3.45Å; Q46-F50 VanDerWaalsContact O-CD2 3.26Å; Q46-F50 WeakPolarHBondContact O-CD2 3.36Å; Q46-F50 PolarHBondContact O-N 3.4Å; L47-F50 PolarHBondContact O-N 2.86Å; F50-A54 WeakPolarHBondContact O-CB 3.37Å; F50-A54 PolarHBondContact O-N 3.4Å
51	T	76.3	Confident	67	Low	86 Å²	86	96.3 Å²	96.3	53%	0.528	55%	0.552	S	S	.	*	H	α-helix	trans	-72.4	-35.3	175.5	56.5	0	0	0	0	112.2	L47 L48 G55	L47-T51 VanDerWaalsContact O-CG2 3.29Å; L47-T51 WeakPolarHBondContact O-CG2 3.32Å; L47-T51 PolarHBondContact O-N 2.99Å; L47-T51 PolarHBondContact O-OG1 3.39Å; L47-T51 VanDerWaalsContact O-OG1 3.08Å; L48-T51 WeakPolarHBondContact CA-OG1 3.29Å; L48-T51 PolarHBondContact O-N 3.26Å; L48-T51 PolarHBondContact O-OG1 2.87Å; T51-G55 PolarHBondContact O-N 2.83Å
52	L	78.7	Confident	66.8	Low	123 Å²	123	101.7 Å²	101.7	64%	0.644	56%	0.561	S	S	*	*	H	α-helix	trans	-66	-45.5	172.8	-141.2	93.7	0	0	0	111	L48 S49 G55 L56	L48-L52 VanDerWaalsContact O-CB 3.31Å; L48-L52 WeakPolarHBondContact O-CB 3.13Å; L48-L52 PolarHBondContact O-N 3.5Å; S49-L52 PolarHBondContact O-N 3.28Å; L52-G55 PolarHBondContact O-N 2.8Å; L52-L56 HydrophobicContact CD2-CD1 4.42Å; L52-L56 WeakPolarHBondContact O-CB 3.23Å; L52-L56 PolarHBondContact O-N 2.85Å
53	L	74.4	Confident	66.7	Low	98 Å²	98	101.4 Å²	101.4	51%	0.513	56%	0.558	S	S	.	*	H	α-helix	trans	-62.7	-45.7	174.6	-103.3	124.6	0	0	0	111.7	S49 G55 L56 L57	S49-L53 VanDerWaalsContact O-CB 3.32Å; S49-L53 WeakPolarHBondContact O-CB 3.44Å; S49-L53 WeakPolarHBondContact O-CD1 3.26Å; S49-L53 PolarHBondContact O-N 3.5Å; L53-G55 VanDerWaalsContact C-N 3.35Å; L53-G55 PolarHBondContact O-N 2.88Å; L53-L56 PolarHBondContact O-N 3.37Å; L53-L57 VanDerWaalsContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.47Å; L53-L57 WeakPolarHBondContact O-CD1 3.45Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 3.19Å
54	A	70.9	Confident	66.6	Low	51 Å²	51	98.5 Å²	98.5	42%	0.421	55%	0.547	S	S	.	.	H	α-helix	trans	-64.2	-40	177.1	0	0	0	0	0	111.5	F50 L57 V58	F50-A54 WeakPolarHBondContact O-CB 3.37Å; F50-A54 PolarHBondContact O-N 3.4Å; A54-L57 PolarHBondContact O-N 3.18Å; A54-V58 WeakPolarHBondContact O-CB 3.2Å; A54-V58 WeakPolarHBondContact O-CG2 3.42Å; A54-V58 PolarHBondContact O-N 3.01Å
55	G	69.8	Low	66.1	Low	35 Å²	35	99.4 Å²	99.4	36%	0.361	56%	0.556	S	S	.	*	H	α-helix	trans	-64	-45.1	174.8	0	0	0	0	0	112.7	T51 L52 L53 V58 Q59	T51-G55 PolarHBondContact O-N 2.83Å; L52-G55 PolarHBondContact O-N 2.8Å; L53-G55 VanDerWaalsContact C-N 3.35Å; L53-G55 PolarHBondContact O-N 2.88Å; G55-V58 PolarHBondContact O-N 3.47Å; G55-Q59 WeakPolarHBondContact O-CG 3.15Å; G55-Q59 PolarHBondContact O-N 3.4Å
56	L	67.5	Low	65.5	Low	107 Å²	107	96.7 Å²	96.7	56%	0.56	55%	0.547	S	S	*	.	H	α-helix	trans	-60.8	-45.1	172.7	-93.7	147.6	0	0	0	111.5	L52 L53 V58 Q59 V60	L52-L56 HydrophobicContact CD2-CD1 4.42Å; L52-L56 WeakPolarHBondContact O-CB 3.23Å; L52-L56 PolarHBondContact O-N 2.85Å; L53-L56 PolarHBondContact O-N 3.37Å; L56-V58 VanDerWaalsContact C-N 3.31Å; L56-V58 PolarHBondContact O-N 2.83Å; L56-Q59 PolarHBondContact O-N 2.9Å; L56-V60 VanDerWaalsContact O-CG2 3.26Å; L56-V60 WeakPolarHBondContact O-CG2 3.31Å; L56-V60 PolarHBondContact O-N 3.41Å
57	L	61.5	Low	65	Low	105 Å²	105	95.4 Å²	95.4	55%	0.55	54%	0.543	S	S	.	.	H	α-helix	trans	-61.9	-37.6	175.9	-72.8	167.4	0	0	0	111.8	L53 A54 V60 S61	L53-L57 VanDerWaalsContact O-CB 3.31Å; L53-L57 WeakPolarHBondContact O-CB 3.47Å; L53-L57 WeakPolarHBondContact O-CD1 3.45Å; L53-L57 WeakPolarHBondContact O-CG 3.46Å; L53-L57 PolarHBondContact O-N 3.19Å; A54-L57 PolarHBondContact O-N 3.18Å; L57-V60 PolarHBondContact O-N 2.88Å; L57-S61 WeakPolarHBondContact O-CB 3.26Å; L57-S61 PolarHBondContact O-N 2.65Å; L57-S61 PolarHBondContact O-OG 3.15Å
58	V	59.5	Low	64.6	Low	88 Å²	88	94.3 Å²	94.3	53%	0.533	54%	0.544	S	S	.	.	H	α-helix	trans	-68.6	-35.2	175.4	169.5	0	0	0	0	112.1	A54 G55 L56 S61 K62	A54-V58 WeakPolarHBondContact O-CB 3.2Å; A54-V58 WeakPolarHBondContact O-CG2 3.42Å; A54-V58 PolarHBondContact O-N 3.01Å; G55-V58 PolarHBondContact O-N 3.47Å; L56-V58 VanDerWaalsContact C-N 3.31Å; L56-V58 PolarHBondContact O-N 2.83Å; V58-S61 WeakPolarHBondContact O-CB 3.48Å; V58-S61 PolarHBondContact O-N 3.2Å; V58-K62 PolarHBondContact O-N 3.34Å
59	Q	56.4	Low	64.3	Low	138 Å²	138	94.8 Å²	94.8	65%	0.645	54%	0.544	S	S	*	.	H	α-helix	trans	-70.7	-37	173	-65.2	-62.4	-35.1	0	0	111.9	G55 L56 S61 K62	G55-Q59 WeakPolarHBondContact O-CG 3.15Å; G55-Q59 PolarHBondContact O-N 3.4Å; L56-Q59 PolarHBondContact O-N 2.9Å; Q59-S61 VanDerWaalsContact C-N 3.31Å; Q59-K62 PolarHBondContact O-N 3.37Å; Q59-K62 VanDerWaalsContact O-N 3.15Å
60	V	55.7	Low	64.1	Low	95 Å²	95	96.7 Å²	96.7	58%	0.576	55%	0.546	S	S	*	.	H	α-helix	trans	-68.6	-30.1	172.7	176.7	0	0	0	0	111.5	L56 L57 K62 V63	L56-V60 VanDerWaalsContact O-CG2 3.26Å; L56-V60 WeakPolarHBondContact O-CG2 3.31Å; L56-V60 PolarHBondContact O-N 3.41Å; L57-V60 PolarHBondContact O-N 2.88Å; V60-K62 PolarHBondContact O-N 3.39Å; V60-V63 WeakPolarHBondContact O-CG2 3.43Å; V60-V63 PolarHBondContact O-N 2.83Å
61	S	54.8	Low	64.2	Low	101 Å²	101	95.1 Å²	95.1	71%	0.706	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-15.7	172.9	-51.8	0	0	0	0	113.1	L57 V58 Q59	L57-S61 WeakPolarHBondContact O-CB 3.26Å; L57-S61 PolarHBondContact O-N 2.65Å; L57-S61 PolarHBondContact O-OG 3.15Å; V58-S61 WeakPolarHBondContact O-CB 3.48Å; V58-S61 PolarHBondContact O-N 3.2Å; Q59-S61 VanDerWaalsContact C-N 3.31Å
62	K	51.5	Low	64.5	Low	161 Å²	161	94.7 Å²	94.7	70%	0.7	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.7	28.8	-180	-140.9	158.9	-172.3	157	0	111.2	V58 Q59 V60 P64	V58-K62 PolarHBondContact O-N 3.34Å; Q59-K62 PolarHBondContact O-N 3.37Å; Q59-K62 VanDerWaalsContact O-N 3.15Å; V60-K62 PolarHBondContact O-N 3.39Å; K62-P64 VanDerWaalsContact O-N 3.17Å
63	V	56.4	Low	65	Low	89 Å²	89	95.2 Å²	95.2	54%	0.539	54%	0.535	S	S	.	.			trans	-50	121.4	160.1	166.7	0	0	0	0	106.7	V60 S65 I67	V60-V63 WeakPolarHBondContact O-CG2 3.43Å; V60-V63 PolarHBondContact O-N 2.83Å; V63-S65 PolarHBondContact O-N 2.89Å; V63-I67 HydrophobicContact CG1-CB 4.4Å; V63-I67 HydrophobicContact CG1-CD1 4.2Å
64	P	54.8	Low	65.8	Low	64 Å²	64	96.1 Å²	96.1	42%	0.416	54%	0.536	S	S	.	.			trans	-66.1	138.3	-164.1	25.5	-34	0	0	0	109.5	K62 S66 I67	K62-P64 VanDerWaalsContact O-N 3.17Å; P64-S66 WeakPolarHBondContact CB-OG 3.35Å; P64-S66 WeakPolarHBondContact CG-OG 3.2Å; P64-S66 PolarHBondContact O-N 3.42Å; P64-I67 HydrophobicContact CG-CD1 3.98Å; P64-I67 HydrophobicContact CG-CG1 4.12Å; P64-I67 PolarHBondContact O-N 3.41Å
65	S	57.4	Low	66.8	Low	89 Å²	89	97.7 Å²	97.7	62%	0.622	54%	0.538	S	S	*	.	H	α-helix	trans	-46	-22.7	168.9	44.3	0	0	0	0	113.1	V63 I67 S68 Q69	V63-S65 PolarHBondContact O-N 2.89Å; S65-I67 VanDerWaalsContact C-N 3.35Å; S65-I67 PolarHBondContact O-N 3.35Å; S65-S68 PolarHBondContact O-OG 2.86Å; S65-Q69 WeakPolarHBondContact O-CB 3.49Å; S65-Q69 PolarHBondContact O-N 2.85Å
66	S	55.7	Low	67.9	Low	68 Å²	68	98.4 Å²	98.4	48%	0.476	54%	0.54	S	S	.	.	H	α-helix	trans	-61.8	-34.8	173	63.5	0	0	0	0	114	P64 E70	P64-S66 WeakPolarHBondContact CB-OG 3.35Å; P64-S66 WeakPolarHBondContact CG-OG 3.2Å; P64-S66 PolarHBondContact O-N 3.42Å; S66-E70 VanDerWaalsContact O-CB 3.3Å; S66-E70 WeakPolarHBondContact O-CB 3.3Å; S66-E70 PolarHBondContact O-N 3.25Å
67	I	61.5	Low	69.2	Low	97 Å²	97	97.7 Å²	97.7	50%	0.497	54%	0.536	S	S	.	.	H	α-helix	trans	-74.9	-43.3	179.3	-68	173.5	0	0	0	110.5	V63 P64 S65 Q69 E70 Q71	V63-I67 HydrophobicContact CG1-CB 4.4Å; V63-I67 HydrophobicContact CG1-CD1 4.2Å; P64-I67 HydrophobicContact CG-CD1 3.98Å; P64-I67 HydrophobicContact CG-CG1 4.12Å; P64-I67 PolarHBondContact O-N 3.41Å; S65-I67 VanDerWaalsContact C-N 3.35Å; S65-I67 PolarHBondContact O-N 3.35Å; I67-Q69 VanDerWaalsContact C-N 3.3Å; I67-Q69 PolarHBondContact O-N 3.09Å; I67-E70 PolarHBondContact O-N 3.47Å; I67-Q71 VanDerWaalsContact O-CB 3.31Å; I67-Q71 WeakPolarHBondContact O-CB 3.29Å; I67-Q71 PolarHBondContact O-N 3.47Å
68	S	63.1	Low	70.8	Confident	79 Å²	79	100 Å²	100	55%	0.552	54%	0.538	S	S	*	.	H	α-helix	trans	-67.6	-32.4	175.5	57.9	0	0	0	0	112.4	S65 S72	S65-S68 PolarHBondContact O-OG 2.86Å; S68-S72 VanDerWaalsContact O-CB 3.24Å; S68-S72 WeakPolarHBondContact O-CB 3.31Å; S68-S72 PolarHBondContact O-N 3.31Å
69	Q	70.3	Confident	72.5	Confident	108 Å²	108	101.6 Å²	101.6	51%	0.505	54%	0.54	S	S	.	.	H	α-helix	trans	-73.6	-37.4	177	-163.8	170.5	18.6	0	0	112.4	S65 I67 R73	S65-Q69 WeakPolarHBondContact O-CB 3.49Å; S65-Q69 PolarHBondContact O-N 2.85Å; I67-Q69 VanDerWaalsContact C-N 3.3Å; I67-Q69 PolarHBondContact O-N 3.09Å; Q69-R73 WeakPolarHBondContact O-CG 3.37Å; Q69-R73 PolarHBondContact O-N 2.96Å; Q69-R73 VanDerWaalsContact O-N 3.08Å
70	E	74.1	Confident	74.4	Confident	103 Å²	103	99.9 Å²	99.9	48%	0.481	54%	0.535	S	S	.	.	H	α-helix	trans	-71.2	-40.1	174.1	-163.8	61.7	-164.2	0	0	111.9	S66 I67 S72 R73 Q74	S66-E70 VanDerWaalsContact O-CB 3.3Å; S66-E70 WeakPolarHBondContact O-CB 3.3Å; S66-E70 PolarHBondContact O-N 3.25Å; I67-E70 PolarHBondContact O-N 3.47Å; E70-S72 VanDerWaalsContact C-N 3.34Å; E70-S72 PolarHBondContact O-N 2.98Å; E70-R73 PolarHBondContact O-N 3.45Å; E70-R73 IonicContact OE2-NH1 3.09Å; E70-R73 PolarHBondContact OE2-NH1 2.97Å; E70-R73 VanDerWaalsContact OE2-NH1 3.09Å; E70-Q74 WeakPolarHBondContact O-CB 3.08Å; E70-Q74 PolarHBondContact O-N 3.08Å
71	Q	77.3	Confident	76.3	Confident	113 Å²	113	100.1 Å²	100.1	53%	0.528	53%	0.533	S	S	.	.	H	α-helix	trans	-59.6	-45.4	172	-165.8	72.9	32.7	0	0	111.2	I67 R73 Q74 D75	I67-Q71 VanDerWaalsContact O-CB 3.31Å; I67-Q71 WeakPolarHBondContact O-CB 3.29Å; I67-Q71 PolarHBondContact O-N 3.47Å; Q71-R73 VanDerWaalsContact C-N 3.33Å; Q71-R73 PolarHBondContact O-N 3.04Å; Q71-Q74 PolarHBondContact O-N 2.94Å; Q71-D75 PolarHBondContact O-N 3.25Å
72	S	84.1	Confident	78.1	Confident	77 Å²	77	98.3 Å²	98.3	54%	0.538	52%	0.517	S	S	.	.	H	α-helix	trans	-63.3	-35	177.5	177.6	0	0	0	0	113.2	S68 E70 A76	S68-S72 VanDerWaalsContact O-CB 3.24Å; S68-S72 WeakPolarHBondContact O-CB 3.31Å; S68-S72 PolarHBondContact O-N 3.31Å; E70-S72 VanDerWaalsContact C-N 3.34Å; E70-S72 PolarHBondContact O-N 2.98Å; S72-A76 WeakPolarHBondContact O-CB 3.37Å; S72-A76 PolarHBondContact O-N 2.94Å; S72-A76 VanDerWaalsContact O-N 3.13Å
73	R	88.3	Confident	80.1	Confident	134 Å²	134	97.2 Å²	97.2	51%	0.506	52%	0.515	S	S	.	.	H	α-helix	trans	-69.1	-43.7	173.6	-75.6	174.9	-175.6	151.7	-1.1	111.9	Q69 E70 Q71 D75 A76 I77	Q69-R73 WeakPolarHBondContact O-CG 3.37Å; Q69-R73 PolarHBondContact O-N 2.96Å; Q69-R73 VanDerWaalsContact O-N 3.08Å; E70-R73 PolarHBondContact O-N 3.45Å; E70-R73 IonicContact OE2-NH1 3.09Å; E70-R73 PolarHBondContact OE2-NH1 2.97Å; E70-R73 VanDerWaalsContact OE2-NH1 3.09Å; Q71-R73 VanDerWaalsContact C-N 3.33Å; Q71-R73 PolarHBondContact O-N 3.04Å; R73-D75 VanDerWaalsContact C-N 3.33Å; R73-A76 PolarHBondContact O-N 3.47Å; R73-I77 WeakPolarHBondContact O-CG1 3.24Å; R73-I77 PolarHBondContact O-N 2.95Å
74	Q	91.5	Very high	81.9	Confident	117 Å²	117	98 Å²	98	55%	0.547	52%	0.515	S	S	.	.	H	α-helix	trans	-62.2	-42.9	178.1	-167	70.4	-2.4	0	0	111.1	E70 Q71 A76 I77 Y78	E70-Q74 WeakPolarHBondContact O-CB 3.08Å; E70-Q74 PolarHBondContact O-N 3.08Å; Q71-Q74 PolarHBondContact O-N 2.94Å; Q74-A76 VanDerWaalsContact C-N 3.34Å; Q74-A76 PolarHBondContact O-N 3.28Å; Q74-I77 PolarHBondContact O-N 3.47Å; Q74-Y78 PolarHBondContact O-N 2.91Å
75	D	91.8	Very high	83.5	Confident	84 Å²	84	99 Å²	99	45%	0.449	51%	0.513	S	S	.	.	H	α-helix	trans	-61.6	-42.4	175	-68	-22.7	0	0	0	111.1	Q71 R73 I77 Y78 Q79	Q71-D75 PolarHBondContact O-N 3.25Å; R73-D75 VanDerWaalsContact C-N 3.33Å; D75-I77 PolarHBondContact O-N 3.24Å; D75-Y78 PolarHBondContact O-N 2.97Å; D75-Q79 VanDerWaalsContact O-CG 3.26Å; D75-Q79 WeakPolarHBondContact O-CG 3.48Å; D75-Q79 PolarHBondContact O-N 3.28Å
76	A	92.7	Very high	84.8	Confident	50 Å²	50	96.6 Å²	96.6	41%	0.413	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-40.2	176.5	0	0	0	0	0	112.8	S72 R73 Q74 Q79 N80	S72-A76 WeakPolarHBondContact O-CB 3.37Å; S72-A76 PolarHBondContact O-N 2.94Å; S72-A76 VanDerWaalsContact O-N 3.13Å; R73-A76 PolarHBondContact O-N 3.47Å; Q74-A76 VanDerWaalsContact C-N 3.34Å; Q74-A76 PolarHBondContact O-N 3.28Å; A76-Q79 PolarHBondContact O-N 3.42Å; A76-N80 VanDerWaalsContact O-CG 3.3Å; A76-N80 PolarHBondContact O-N 2.94Å; A76-N80 PolarHBondContact O-ND2 2.82Å
77	I	95.9	Very high	86.2	Confident	91 Å²	91	95.6 Å²	95.6	47%	0.467	49%	0.494	S	S	.	.	H	α-helix	trans	-62.8	-45.8	174.4	-68.5	166.4	0	0	0	110.2	R73 Q74 D75 Q79 N80 L81	R73-I77 WeakPolarHBondContact O-CG1 3.24Å; R73-I77 PolarHBondContact O-N 2.95Å; Q74-I77 PolarHBondContact O-N 3.47Å; D75-I77 PolarHBondContact O-N 3.24Å; I77-Q79 VanDerWaalsContact C-N 3.34Å; I77-Q79 PolarHBondContact O-N 3.43Å; I77-N80 PolarHBondContact O-N 2.94Å; I77-L81 HydrophobicContact CG2-CD1 4.02Å; I77-L81 HydrophobicContact CG2-CG 4.46Å; I77-L81 WeakPolarHBondContact O-CG 3.47Å; I77-L81 PolarHBondContact O-N 3.27Å
78	Y	93.9	Very high	87.3	Confident	154 Å²	154	94.9 Å²	94.9	60%	0.604	50%	0.495	S	S	*	.	H	α-helix	trans	-62.9	-39.8	179	-175.6	-99.1	0	0	0	112.6	Q74 D75 L81 T82	Q74-Y78 PolarHBondContact O-N 2.91Å; D75-Y78 PolarHBondContact O-N 2.97Å; Y78-L81 PolarHBondContact O-N 3.02Å; Y78-T82 WeakPolarHBondContact O-CB 3.37Å; Y78-T82 PolarHBondContact O-N 3.39Å; Y78-T82 PolarHBondContact O-OG1 3.13Å
79	Q	96.4	Very high	88	Confident	122 Å²	122	94.8 Å²	94.8	57%	0.57	49%	0.486	S	S	*	.	H	α-helix	trans	-63.5	-45.4	174.4	-69.7	-61.2	-31.5	0	0	111.7	D75 A76 I77 L81 T82 Q83	D75-Q79 VanDerWaalsContact O-CG 3.26Å; D75-Q79 WeakPolarHBondContact O-CG 3.48Å; D75-Q79 PolarHBondContact O-N 3.28Å; A76-Q79 PolarHBondContact O-N 3.42Å; I77-Q79 VanDerWaalsContact C-N 3.34Å; I77-Q79 PolarHBondContact O-N 3.43Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-L81 PolarHBondContact O-N 3.45Å; Q79-T82 PolarHBondContact O-N 3.45Å; Q79-Q83 PolarHBondContact O-N 2.91Å
80	N	95.9	Very high	88.3	Confident	101 Å²	101	99 Å²	99	54%	0.54	50%	0.497	S	S	.	.	H	α-helix	trans	-61.1	-41.8	176.6	-73.6	-26.5	0	0	0	112.1	A76 I77 Q83 L84	A76-N80 VanDerWaalsContact O-CG 3.3Å; A76-N80 PolarHBondContact O-N 2.94Å; A76-N80 PolarHBondContact O-ND2 2.82Å; I77-N80 PolarHBondContact O-N 2.94Å; N80-Q83 PolarHBondContact O-N 3.28Å; N80-L84 WeakPolarHBondContact O-CB 3.12Å; N80-L84 PolarHBondContact O-N 3.48Å
81	L	94.7	Very high	88.5	Confident	101 Å²	101	100.4 Å²	100.4	53%	0.529	51%	0.507	S	S	.	.	H	α-helix	trans	-64.4	-40.2	175.9	-73.2	172.7	0	0	0	112	I77 Y78 Q79 Q83 L84 K85	I77-L81 HydrophobicContact CG2-CD1 4.02Å; I77-L81 HydrophobicContact CG2-CG 4.46Å; I77-L81 WeakPolarHBondContact O-CG 3.47Å; I77-L81 PolarHBondContact O-N 3.27Å; Y78-L81 PolarHBondContact O-N 3.02Å; Q79-L81 VanDerWaalsContact C-N 3.34Å; Q79-L81 PolarHBondContact O-N 3.45Å; L81-Q83 VanDerWaalsContact C-N 3.35Å; L81-L84 PolarHBondContact O-N 2.88Å; L81-K85 WeakPolarHBondContact O-CB 3.33Å; L81-K85 PolarHBondContact O-N 3.16Å
82	T	93.3	Very high	88.8	Confident	62 Å²	62	97.9 Å²	97.9	38%	0.38	50%	0.501	S	S	.	.	H	α-helix	trans	-63.7	-42.7	176.5	-57	0	0	0	0	111	Y78 Q79 K85 A86	Y78-T82 WeakPolarHBondContact O-CB 3.37Å; Y78-T82 PolarHBondContact O-N 3.39Å; Y78-T82 PolarHBondContact O-OG1 3.13Å; Q79-T82 PolarHBondContact O-N 3.45Å; T82-K85 PolarHBondContact O-N 3.46Å; T82-A86 WeakPolarHBondContact O-CB 3.26Å; T82-A86 PolarHBondContact O-N 2.99Å
83	Q	93.9	Very high	88.9	Confident	139 Å²	139	99.6 Å²	99.6	65%	0.65	50%	0.5	S	S	*	.	H	α-helix	trans	-65.9	-40.3	176.5	-171.1	175.8	2.8	0	0	112	Q79 N80 L81 A86 A87	Q79-Q83 PolarHBondContact O-N 2.91Å; N80-Q83 PolarHBondContact O-N 3.28Å; L81-Q83 VanDerWaalsContact C-N 3.35Å; Q83-A86 PolarHBondContact O-N 2.88Å; Q83-A87 WeakPolarHBondContact O-CB 3.4Å; Q83-A87 PolarHBondContact O-N 3.37Å
84	L	92.6	Very high	89	Confident	106 Å²	106	95.8 Å²	95.8	56%	0.555	49%	0.493	S	S	*	.	H	α-helix	trans	-65	-44.5	175.6	-177.2	62.2	0	0	0	111.5	N80 L81 A86 A87 V88	N80-L84 WeakPolarHBondContact O-CB 3.12Å; N80-L84 PolarHBondContact O-N 3.48Å; L81-L84 PolarHBondContact O-N 2.88Å; L84-A86 PolarHBondContact O-N 3.04Å; L84-A87 PolarHBondContact O-N 2.68Å; L84-A87 VanDerWaalsContact O-N 3.16Å; L84-V88 HydrophobicContact CD1-CG2 4.33Å; L84-V88 HydrophobicContact CG-CG2 4.49Å; L84-V88 WeakPolarHBondContact O-CG2 3.25Å; L84-V88 PolarHBondContact O-N 2.87Å
85	K	88.9	Confident	89.2	Confident	83 Å²	83	90.9 Å²	90.9	36%	0.361	47%	0.471	S	S	.	.	H	α-helix	trans	-57.2	-48.6	174.8	-178.2	177.6	178.7	-178.6	0	110.8	L81 T82 A87 V88 E89 E227	L81-K85 WeakPolarHBondContact O-CB 3.33Å; L81-K85 PolarHBondContact O-N 3.16Å; T82-K85 PolarHBondContact O-N 3.46Å; K85-A87 VanDerWaalsContact C-N 3.3Å; K85-A87 PolarHBondContact O-N 3.49Å; K85-V88 PolarHBondContact O-N 2.85Å; K85-E89 VanDerWaalsContact CE-OE1 3.25Å; K85-E89 WeakPolarHBondContact CE-OE1 3.32Å; K85-E89 WeakPolarHBondContact O-CG 3.4Å; K85-E89 PolarHBondContact O-N 3.45Å; K85-E227 IonicContact NZ-OE1 3.3Å; K85-E227 PolarHBondContact NZ-OE1 3.36Å; K85-E227 IonicContact NZ-OE2 2.67Å; K85-E227 PolarHBondContact NZ-OE2 2.89Å
86	A	84.9	Confident	89.4	Confident	39 Å²	39	89.5 Å²	89.5	32%	0.322	47%	0.467	S	S	.	.	H	α-helix	trans	-62.3	-36.4	177.4	0	0	0	0	0	112.7	T82 Q83 L84 R90	T82-A86 WeakPolarHBondContact O-CB 3.26Å; T82-A86 PolarHBondContact O-N 2.99Å; Q83-A86 PolarHBondContact O-N 2.88Å; L84-A86 PolarHBondContact O-N 3.04Å; A86-R90 WeakPolarHBondContact O-CG 3.36Å; A86-R90 PolarHBondContact O-N 3.37Å
87	A	86	Confident	89.4	Confident	47 Å²	47	97.7 Å²	97.7	39%	0.388	49%	0.487	S	S	.	.	H	α-helix	trans	-68.7	-41.1	175.8	0	0	0	0	0	112.2	Q83 L84 K85 R90	Q83-A87 WeakPolarHBondContact O-CB 3.4Å; Q83-A87 PolarHBondContact O-N 3.37Å; L84-A87 PolarHBondContact O-N 2.68Å; L84-A87 VanDerWaalsContact O-N 3.16Å; K85-A87 VanDerWaalsContact C-N 3.3Å; K85-A87 PolarHBondContact O-N 3.49Å; A87-R90 WeakPolarHBondContact O-CB 3.47Å; A87-R90 PolarHBondContact O-N 3.44Å
88	V	83.7	Confident	89.3	Confident	83 Å²	83	101 Å²	101	50%	0.503	50%	0.501	S	S	.	.	H	α-helix	trans	-67.6	-39.4	176.5	172.7	0	0	0	0	111.3	L84 K85 R90 L91	L84-V88 HydrophobicContact CD1-CG2 4.33Å; L84-V88 HydrophobicContact CG-CG2 4.49Å; L84-V88 WeakPolarHBondContact O-CG2 3.25Å; L84-V88 PolarHBondContact O-N 2.87Å; K85-V88 PolarHBondContact O-N 2.85Å; V88-R90 PolarHBondContact O-N 3.34Å; V88-L91 WeakPolarHBondContact O-CB 3.48Å; V88-L91 PolarHBondContact O-N 2.9Å
89	E	77.3	Confident	89.5	Confident	77 Å²	77	95.4 Å²	95.4	36%	0.36	48%	0.479	S	S	.	.	H	α-helix	trans	-59.1	-33.9	174.4	-76.2	179.8	-175.3	0	0	112.1	K85 L91 C92 R225	K85-E89 VanDerWaalsContact CE-OE1 3.25Å; K85-E89 WeakPolarHBondContact CE-OE1 3.32Å; K85-E89 WeakPolarHBondContact O-CG 3.4Å; K85-E89 PolarHBondContact O-N 3.45Å; E89-L91 VanDerWaalsContact C-N 3.25Å; E89-L91 PolarHBondContact O-N 3.21Å; E89-C92 PolarHBondContact O-N 3.02Å; E89-R225 IonicContact OE1-CZ 3.96Å; E89-R225 VanDerWaalsContact OE1-CZ 3.25Å; E89-R225 IonicContact OE1-NE 3.25Å; E89-R225 PolarHBondContact OE1-NE 2.83Å; E89-R225 IonicContact OE1-NH2 2.68Å; E89-R225 PolarHBondContact OE1-NH2 3.05Å; E89-R225 IonicContact OE2-CZ 3.58Å; E89-R225 IonicContact OE2-NE 3.84Å; E89-R225 IonicContact OE2-NH2 3.04Å; E89-R225 PolarHBondContact OE2-NH2 3.05Å
90	R	76.3	Confident	89.6	Confident	197 Å²	197	92.2 Å²	92.2	74%	0.743	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.5	-14.9	174.5	-70.4	174.3	-177.4	163.3	1.8	114.2	A86 A87 V88 H93	A86-R90 WeakPolarHBondContact O-CG 3.36Å; A86-R90 PolarHBondContact O-N 3.37Å; A87-R90 WeakPolarHBondContact O-CB 3.47Å; A87-R90 PolarHBondContact O-N 3.44Å; V88-R90 PolarHBondContact O-N 3.34Å; R90-H93 PolarHBondContact O-CE1 2.93Å
91	L	78.9	Confident	89.6	Confident	132 Å²	132	92.6 Å²	92.6	69%	0.691	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-26	176	-63.8	174.1	0	0	0	111.8	V88 E89 H93	V88-L91 WeakPolarHBondContact O-CB 3.48Å; V88-L91 PolarHBondContact O-N 2.9Å; E89-L91 VanDerWaalsContact C-N 3.25Å; E89-L91 PolarHBondContact O-N 3.21Å; L91-H93 PolarHBondContact O-N 2.74Å; L91-H93 VanDerWaalsContact O-N 3.13Å; L91-H93 PolarHBondContact O-ND1 3.27Å; L91-H93 VanDerWaalsContact O-ND1 3.09Å
92	C	82.8	Confident	89.8	Confident	59 Å²	59	89.8 Å²	89.8	40%	0.399	45%	0.448	S	S	.	.			trans	-73.8	108.3	178.5	-167.6	0	0	0	0	110.6	E89 C223	E89-C92 PolarHBondContact O-N 3.02Å; C92-C223 HydrophobicContact CB-CB 3.76Å; C92-C223 WeakPolarHBondContact CB-SG 3.42Å; C92-C223 PolarHBondContact O-SG 3.41Å; C92-C223 VanDerWaalsContact O-SG 3.41Å; C92-C223 WeakPolarHBondContact SG-CA 3.37Å; C92-C223 WeakPolarHBondContact SG-CB 3.28Å; C92-C223 CovalentContact SG-SG 2.04Å; C92-C223 PolarHBondContact SG-SG 3.19Å
93	H	86.9	Confident	89.9	Confident	113 Å²	113	92.2 Å²	92.2	52%	0.523	46%	0.455	S	S	.	.			trans	-100.9	128.8	170.4	-70.8	68.5	0	0	0	108.6	R90 L91 C95	R90-H93 PolarHBondContact O-CE1 2.93Å; L91-H93 PolarHBondContact O-N 2.74Å; L91-H93 VanDerWaalsContact O-N 3.13Å; L91-H93 PolarHBondContact O-ND1 3.27Å; L91-H93 VanDerWaalsContact O-ND1 3.09Å; H93-C95 WeakPolarHBondContact CB-O 2.98Å; H93-C95 PolarHBondContact O-N 2.95Å; H93-C95 VanDerWaalsContact O-N 3.13Å
94	P	91.2	Very high	90	Very high	54 Å²	54	87.4 Å²	87.4	35%	0.351	44%	0.442	S	S	.	.	S	Bend	trans	-59.5	-25.6	177.7	-25.6	34.1	0	0	0	113.2	F101 C106 A220 A221	P94-F101 HydrophobicContact CB-CD2 4Å; P94-F101 HydrophobicContact CB-CE2 4.14Å; P94-C106 PolarHBondContact O-SG 3.25Å; P94-A220 HydrophobicContact CB-CB 4.04Å; P94-A220 CarbonylContact O-C 3.51Å; P94-A220 WeakPolarHBondContact O-CA 3.11Å; P94-A220 WeakPolarHBondContact O-CB 3.42Å; P94-A221 PolarHBondContact O-N 3.21Å
95	C	95.9	Very high	90.3	Very high	15 Å²	15	84 Å²	84	10%	0.101	43%	0.425	C	S	.	.	S	Bend	trans	-124.5	151.7	178.6	-64.8	0	0	0	0	112.1	H93 W99 C106	H93-C95 WeakPolarHBondContact CB-O 2.98Å; H93-C95 PolarHBondContact O-N 2.95Å; H93-C95 VanDerWaalsContact O-N 3.13Å; C95-W99 HydrophobicContact CB-CB 4.04Å; C95-C106 WeakPolarHBondContact CA-SG 3.4Å; C95-C106 HydrophobicContact CB-CB 3.76Å; C95-C106 WeakPolarHBondContact CB-SG 3.09Å; C95-C106 WeakPolarHBondContact SG-CA 3.44Å; C95-C106 WeakPolarHBondContact SG-CB 3.34Å; C95-C106 CovalentContact SG-SG 2.03Å; C95-C106 PolarHBondContact SG-SG 3.13Å
96	P	95.3	Very high	90.7	Very high	54 Å²	54	80 Å²	80	35%	0.351	41%	0.408	S	S	.	.			trans	-59.4	160.5	170.1	-16.9	29	0	0	0	112	W99	P96-W99 HydrophobicContact CB-CG 4.06Å; P96-W99 HydrophobicContact CG-CD2 4.14Å; P96-W99 HydrophobicContact CG-CG 4.06Å; P96-W99 WeakPolarHBondContact O-CB 3.38Å; P96-W99 PolarHBondContact O-N 3.3Å; P96-W99 VanDerWaalsContact O-N 3.15Å
97	W	93.4	Very high	91.4	Very high	222 Å²	222	78.3 Å²	78.3	84%	0.841	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	143.1	171.6	-61.8	-64.5	0	0	0	111.4	W99	W97-W99 VanDerWaalsContact O-CD1 3.3Å; W97-W99 PolarHBondContact O-N 3.3Å
98	E	94.1	Very high	92	Very high	161 Å²	161	78.3 Å²	78.3	75%	0.752	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.4	12.7	-175.2	-50.2	-57.9	128.3	0	0	115.1
99	W	97.9	Very high	92.7	Very high	37 Å²	37	76.5 Å²	76.5	14%	0.14	37%	0.371	C	S	.	.			trans	-104.9	144.1	169.9	-67.1	52.3	0	0	0	110.4	C95 P96 W97 C106 Y107 F108 V126 A128 C216 K218	C95-W99 HydrophobicContact CB-CB 4.04Å; P96-W99 HydrophobicContact CB-CG 4.06Å; P96-W99 HydrophobicContact CG-CD2 4.14Å; P96-W99 HydrophobicContact CG-CG 4.06Å; P96-W99 WeakPolarHBondContact O-CB 3.38Å; P96-W99 PolarHBondContact O-N 3.3Å; P96-W99 VanDerWaalsContact O-N 3.15Å; W97-W99 VanDerWaalsContact O-CD1 3.3Å; W97-W99 PolarHBondContact O-N 3.3Å; W99-C106 HydrophobicContact CB-CB 4.31Å; W99-C106 HydrophobicContact CD2-CB 4.4Å; W99-C106 HydrophobicContact CE3-CB 3.64Å; W99-C106 HydrophobicContact CZ3-CB 4.42Å; W99-Y107 CarbonylContact C-O 3.53Å; W99-Y107 WeakPolarHBondContact CA-O 3.4Å; W99-F108 HydrophobicContact CD2-CB 3.69Å; W99-F108 HydrophobicContact CE3-CB 3.79Å; W99-F108 HydrophobicContact CG-CB 4.32Å; W99-F108 HydrophobicContact CH2-CB 3.78Å; W99-F108 HydrophobicContact CZ2-CB 3.69Å; W99-F108 HydrophobicContact CZ2-CG 4.23Å; W99-F108 HydrophobicContact CZ3-CB 3.82Å; W99-F108 AromaticContact NE1-CD2 3.8Å; W99-V126 HydrophobicContact CH2-CG2 3.88Å; W99-V126 HydrophobicContact CZ2-CB 4.3Å; W99-V126 HydrophobicContact CZ2-CG2 3.83Å; W99-A128 HydrophobicContact CH2-CB 3.77Å; W99-A128 HydrophobicContact CZ3-CB 4.23Å; W99-C216 HydrophobicContact CH2-CB 4.12Å; W99-C216 HydrophobicContact CZ3-CB 4.38Å; W99-K218 HydrophobicContact CE3-CG 4.31Å; W99-K218 HydrophobicContact CH2-CD 4Å; W99-K218 HydrophobicContact CH2-CG 4.22Å; W99-K218 HydrophobicContact CZ3-CD 3.96Å; W99-K218 HydrophobicContact CZ3-CG 3.7Å
100	T	97.4	Very high	93.7	Very high	54 Å²	54	73 Å²	73	33%	0.331	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.5	177.9	-54.7	0	0	0	0	110.1	C106 Y107 F141	T100-C106 CarbonylContact O-C 3.47Å; T100-C106 WeakPolarHBondContact O-CA 3.37Å; T100-Y107 PolarHBondContact N-O 3.39Å; T100-Y107 WeakPolarHBondContact O-CD2 3.41Å; T100-Y107 PolarHBondContact O-N 3.09Å; T100-F141 HydrophobicContact CG2-CE2 4.21Å; T100-F141 HydrophobicContact CG2-CZ 3.69Å
101	F	96.8	Very high	94.7	Very high	110 Å²	110	69.1 Å²	69.1	48%	0.482	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	132.5	172.6	178.3	-92.1	0	0	0	111	P94 N105 A220	P94-F101 HydrophobicContact CB-CD2 4Å; P94-F101 HydrophobicContact CB-CE2 4.14Å; F101-N105 WeakPolarHBondContact CA-O 3.39Å; F101-A220 HydrophobicContact CD2-CB 3.9Å; F101-A220 HydrophobicContact CE2-CB 3.67Å
102	F	97.9	Very high	95.6	Very high	41 Å²	41	65.8 Å²	65.8	18%	0.18	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.5	124.5	168.3	179.2	-96	0	0	0	110.6	G104 N105 Y107 E137 E138 F141	F102-G104 PolarHBondContact O-N 3.07Å; F102-N105 PolarHBondContact N-O 2.95Å; F102-N105 PolarHBondContact O-N 2.04Å; F102-Y107 HydrophobicContact CB-CD2 4.1Å; F102-Y107 HydrophobicContact CB-CE2 3.69Å; F102-Y107 HydrophobicContact CD1-CE2 4.33Å; F102-E137 HydrophobicContact CZ-CB 4.27Å; F102-E138 HydrophobicContact CE1-CB 4.22Å; F102-F141 HydrophobicContact CB-CD1 3.95Å; F102-F141 HydrophobicContact CB-CD2 4.46Å; F102-F141 HydrophobicContact CB-CE1 3.64Å; F102-F141 HydrophobicContact CB-CE2 4.18Å; F102-F141 HydrophobicContact CB-CG 4.36Å; F102-F141 HydrophobicContact CB-CZ 3.78Å; F102-F141 HydrophobicContact CD1-CB 4.34Å; F102-F141 AromaticContact CD1-CD1 3.79Å; F102-F141 HydrophobicContact CD1-CD1 3.79Å; F102-F141 HydrophobicContact CD1-CE1 4.33Å; F102-F141 HydrophobicContact CD1-CG 4.06Å; F102-F141 HydrophobicContact CD2-CB 4.15Å; F102-F141 HydrophobicContact CD2-CD1 4.09Å; F102-F141 AromaticContact CD2-CD2 3.67Å; F102-F141 HydrophobicContact CD2-CD2 3.67Å; F102-F141 HydrophobicContact CD2-CE1 4.47Å; F102-F141 HydrophobicContact CD2-CE2 4.08Å; F102-F141 AromaticContact CD2-CG 3.69Å; F102-F141 HydrophobicContact CD2-CG 3.69Å; F102-F141 HydrophobicContact CD2-CZ 4.47Å; F102-F141 HydrophobicContact CE1-CB 4.03Å; F102-F141 HydrophobicContact CE1-CD1 4.3Å; F102-F141 HydrophobicContact CE1-CG 4.25Å; F102-F141 HydrophobicContact CE2-CB 3.81Å; F102-F141 HydrophobicContact CE2-CD2 4.05Å; F102-F141 AromaticContact CE2-CG 3.89Å; F102-F141 HydrophobicContact CE2-CG 3.89Å; F102-F141 HydrophobicContact CG-CB 4.4Å; F102-F141 AromaticContact CG-CD1 3.68Å; F102-F141 HydrophobicContact CG-CD1 3.68Å; F102-F141 HydrophobicContact CG-CD2 4.08Å; F102-F141 AromaticContact CG-CE1 3.92Å; F102-F141 HydrophobicContact CG-CE1 3.92Å; F102-F141 HydrophobicContact CG-CE2 4.29Å; F102-F141 AromaticContact CG-CG 3.77Å; F102-F141 HydrophobicContact CG-CG 3.77Å; F102-F141 HydrophobicContact CG-CZ 4.23Å; F102-F141 HydrophobicContact CZ-CB 3.74Å; F102-F141 HydrophobicContact CZ-CG 4.16Å
103	Q	96.1	Very high	96.4	Very high	114 Å²	114	68.2 Å²	68.2	53%	0.533	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.7	54.1	175.7	-64.5	-175.2	-10.2	0	0	114.2	N105	Q103-N105 PolarHBondContact O-N 3.3Å; Q103-N105 PolarHBondContact O-ND2 3.13Å
104	G	95.7	Very high	97	Very high	37 Å²	37	67.1 Å²	67.1	38%	0.381	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	8.4	176	0	0	0	0	0	115	F102 A220	F102-G104 PolarHBondContact O-N 3.07Å; G104-A220 WeakPolarHBondContact O-CB 3.28Å; G104-A220 PolarHBondContact O-N 3.43Å
105	N	98.4	Very high	97.3	Very high	34 Å²	34	66.5 Å²	66.5	18%	0.182	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	157.4	175.5	-64.8	-82.3	0	0	0	110.9	F101 F102 Q103 Y107 K217 K218	F101-N105 WeakPolarHBondContact CA-O 3.39Å; F102-N105 PolarHBondContact N-O 2.95Å; F102-N105 PolarHBondContact O-N 2.04Å; Q103-N105 PolarHBondContact O-N 3.3Å; Q103-N105 PolarHBondContact O-ND2 3.13Å; N105-Y107 HydrophobicContact CB-CE2 3.65Å; N105-K217 HydrophobicContact CB-CG 4.31Å; N105-K218 CarbonylContact C-O 3.38Å; N105-K218 WeakPolarHBondContact CA-O 3.26Å
106	C	98.6	Very high	97.5	Very high	1 Å²	1	66.3 Å²	66.3	1%	0.007	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	133.6	175.5	-56.6	0	0	0	0	109.3	P94 C95 W99 T100 K217 K218 A220	P94-C106 PolarHBondContact O-SG 3.25Å; C95-C106 WeakPolarHBondContact CA-SG 3.4Å; C95-C106 HydrophobicContact CB-CB 3.76Å; C95-C106 WeakPolarHBondContact CB-SG 3.09Å; C95-C106 WeakPolarHBondContact SG-CA 3.44Å; C95-C106 WeakPolarHBondContact SG-CB 3.34Å; C95-C106 CovalentContact SG-SG 2.03Å; C95-C106 PolarHBondContact SG-SG 3.13Å; W99-C106 HydrophobicContact CB-CB 4.31Å; W99-C106 HydrophobicContact CD2-CB 4.4Å; W99-C106 HydrophobicContact CE3-CB 3.64Å; W99-C106 HydrophobicContact CZ3-CB 4.42Å; T100-C106 CarbonylContact O-C 3.47Å; T100-C106 WeakPolarHBondContact O-CA 3.37Å; C106-K217 WeakPolarHBondContact O-CA 3.33Å; C106-K218 HydrophobicContact CB-CG 4.26Å; C106-K218 PolarHBondContact N-O 2.78Å; C106-K218 PolarHBondContact O-N 3.4Å; C106-A220 VanDerWaalsContact SG-CA 3.57Å
107	Y	98.8	Very high	97.7	Very high	2 Å²	2	68.2 Å²	68.2	1%	0.008	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	127.6	-177.9	-58.6	-96.8	0	0	0	110.3	W99 T100 F102 N105 M109 V131 E138 F141 L142 I215 C216 K217	W99-Y107 CarbonylContact C-O 3.53Å; W99-Y107 WeakPolarHBondContact CA-O 3.4Å; T100-Y107 PolarHBondContact N-O 3.39Å; T100-Y107 WeakPolarHBondContact O-CD2 3.41Å; T100-Y107 PolarHBondContact O-N 3.09Å; F102-Y107 HydrophobicContact CB-CD2 4.1Å; F102-Y107 HydrophobicContact CB-CE2 3.69Å; F102-Y107 HydrophobicContact CD1-CE2 4.33Å; N105-Y107 HydrophobicContact CB-CE2 3.65Å; Y107-M109 HydrophobicContact CG-CE 4.41Å; Y107-V131 HydrophobicContact CD1-CG2 4.28Å; Y107-V131 HydrophobicContact CE1-CG2 4.05Å; Y107-E138 HydrophobicContact CE1-CG 4.41Å; Y107-E138 WeakPolarHBondContact CE1-OE1 3.37Å; Y107-E138 PolarHBondContact OH-OE1 2.84Å; Y107-F141 AromaticContact CD2-CE1 3.96Å; Y107-F141 HydrophobicContact CD2-CE1 3.96Å; Y107-F141 HydrophobicContact CE2-CE1 4.25Å; Y107-F141 HydrophobicContact CG-CE1 4.19Å; Y107-L142 HydrophobicContact CD1-CD2 3.69Å; Y107-L142 HydrophobicContact CE1-CD1 4.27Å; Y107-L142 HydrophobicContact CE1-CD2 4.02Å; Y107-L142 HydrophobicContact CG-CD2 4.25Å; Y107-I215 HydrophobicContact CD1-CG2 4.14Å; Y107-C216 CarbonylContact C-O 3.49Å; Y107-C216 WeakPolarHBondContact CA-O 3.25Å; Y107-K217 HydrophobicContact CD1-CB 4.13Å; Y107-K217 HydrophobicContact CD1-CG 4.26Å; Y107-K217 HydrophobicContact CE1-CB 4.08Å; Y107-K217 HydrophobicContact CE1-CD 3.79Å; Y107-K217 HydrophobicContact CE1-CG 3.79Å
108	F	98.6	Very high	97.9	Very high	47 Å²	47	61.1 Å²	61.1	21%	0.206	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	113	173.8	176.3	-108.2	0	0	0	109.3	W99 W214 I215 C216	W99-F108 HydrophobicContact CD2-CB 3.69Å; W99-F108 HydrophobicContact CE3-CB 3.79Å; W99-F108 HydrophobicContact CG-CB 4.32Å; W99-F108 HydrophobicContact CH2-CB 3.78Å; W99-F108 HydrophobicContact CZ2-CB 3.69Å; W99-F108 HydrophobicContact CZ2-CG 4.23Å; W99-F108 HydrophobicContact CZ3-CB 3.82Å; W99-F108 AromaticContact NE1-CD2 3.8Å; F108-W214 HydrophobicContact CE1-CZ2 4.24Å; F108-I215 VanDerWaalsContact O-CA 3.27Å; F108-I215 WeakPolarHBondContact O-CA 3.49Å; F108-C216 HydrophobicContact CB-CB 4.09Å; F108-C216 PolarHBondContact N-O 2.86Å; F108-C216 PolarHBondContact O-N 3.32Å
109	M	98.5	Very high	98.2	Very high	45 Å²	45	53.4 Å²	53.4	22%	0.222	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	111.3	171.9	-68	73.2	-165.9	0	0	107.7	Y107 F141 L142 Q145 I215	Y107-M109 HydrophobicContact CG-CE 4.41Å; M109-F141 HydrophobicContact CE-CE1 4.42Å; M109-F141 HydrophobicContact CE-CZ 4.49Å; M109-L142 HydrophobicContact CE-CD2 3.99Å; M109-Q145 HydrophobicContact CE-CB 4.38Å; M109-Q145 HydrophobicContact CE-CG 4.15Å; M109-I215 HydrophobicContact CE-CD1 4.44Å; M109-I215 HydrophobicContact CE-CG2 4.31Å; M109-I215 HydrophobicContact CG-CG1 4.2Å
110	S	98.4	Very high	98.2	Very high	3 Å²	3	52.9 Å²	52.9	2%	0.021	27%	0.271	C	S	.	.			trans	-59.3	151.3	-177.5	65.4	0	0	0	0	113.1	S112 R151 F213 W214	S110-S112 PolarHBondContact OG-O 2.88Å; S110-R151 PolarHBondContact O-NH1 2.93Å; S110-R151 VanDerWaalsContact O-NH1 3.09Å; S110-F213 VanDerWaalsContact O-CD1 3.3Å; S110-F213 WeakPolarHBondContact O-CD1 3.26Å; S110-F213 WeakPolarHBondContact OG-CA 3.04Å; S110-F213 WeakPolarHBondContact OG-CB 3.48Å; S110-W214 VanDerWaalsContact CB-CD2 3.43Å; S110-W214 VanDerWaalsContact CB-CE3 3.45Å; S110-W214 WeakPolarHBondContact CB-O 3.45Å; S110-W214 PolarHBondContact N-O 3.37Å; S110-W214 PolarHBondContact OG-N 2.9Å; S110-W214 PolarHBondContact OG-O 3.42Å; S110-W214 VanDerWaalsContact OG-O 3.08Å
111	N	97.6	Very high	98.3	Very high	116 Å²	116	53.4 Å²	53.4	62%	0.62	27%	0.274	S	S	*	.	S	Bend	trans	-105.6	1.9	172.4	-72.2	-50.7	0	0	0	113.1	R151	N111-R151 PolarHBondContact OD1-NH1 2.85Å
112	S	98.3	Very high	98.4	Very high	63 Å²	63	48.6 Å²	48.6	44%	0.441	25%	0.254	S	S	.	.	S	Bend	trans	-129.4	171	177.1	58.6	0	0	0	0	109.3	S110 F213 W214	S110-S112 PolarHBondContact OG-O 2.88Å; S112-F213 WeakPolarHBondContact O-CD1 3.39Å; S112-W214 WeakPolarHBondContact O-CZ3 3.37Å; S112-W214 WeakPolarHBondContact OG-CH2 3.15Å; S112-W214 WeakPolarHBondContact OG-CZ3 3.22Å
113	Q	98.8	Very high	98.4	Very high	109 Å²	109	46.6 Å²	46.6	51%	0.509	25%	0.245	S	C	.	.			trans	-114.8	143.5	-179.5	-61.5	179.6	91.2	0	0	111	A211 K212 F213	Q113-A211 HydrophobicContact CB-CB 4.06Å; Q113-A211 PolarHBondContact OE1-O 2.96Å; Q113-K212 CarbonylContact C-O 3.59Å; Q113-K212 WeakPolarHBondContact CA-O 3.26Å; Q113-F213 HydrophobicContact CG-CD1 4.17Å; Q113-F213 HydrophobicContact CG-CD2 3.86Å; Q113-F213 HydrophobicContact CG-CE1 4.1Å; Q113-F213 HydrophobicContact CG-CE2 3.76Å; Q113-F213 HydrophobicContact CG-CG 4.07Å; Q113-F213 HydrophobicContact CG-CZ 3.9Å
114	R	98.8	Very high	98.6	Very high	90 Å²	90	48 Å²	48	34%	0.34	25%	0.25	S	C	.	.	B	Isolated β-bridge	trans	-143.6	158.5	177.9	-75.7	-177.9	-178.5	-144.3	5	109.7	D118 S119 W154 A211 K212 W214	R114-D118 HydrophobicContact CB-CB 3.99Å; R114-D118 HydrophobicContact CG-CB 4.31Å; R114-S119 WeakPolarHBondContact CB-OG 3.39Å; R114-W154 PolarHBondContact O-NE1 3.49Å; R114-W154 VanDerWaalsContact O-NE1 3.1Å; R114-A211 WeakPolarHBondContact O-CA 3.42Å; R114-K212 PolarHBondContact N-O 2.87Å; R114-K212 PolarHBondContact O-N 3.31Å; R114-K212 VanDerWaalsContact O-O 3.12Å; R114-W214 HydrophobicContact CB-CE3 4.01Å; R114-W214 HydrophobicContact CB-CZ3 3.91Å; R114-W214 HydrophobicContact CG-CE3 4.21Å; R114-W214 HydrophobicContact CG-CH2 4.04Å; R114-W214 HydrophobicContact CG-CZ3 3.6Å
115	N	98.9	Very high	98.7	Very high	42 Å²	42	52.6 Å²	52.6	23%	0.225	26%	0.261	C	S	.	.			trans	-66.8	167.9	167.3	69.8	49.9	0	0	0	110.4	H117 D118 S119 C208 L210	N115-H117 PolarHBondContact O-N 2.98Å; N115-H117 PolarHBondContact OD1-N 3.41Å; N115-D118 PolarHBondContact ND2-OD2 3.09Å; N115-D118 PolarHBondContact O-N 3.47Å; N115-D118 WeakPolarHBondContact OD1-CB 3.34Å; N115-D118 VanDerWaalsContact OD1-CG 3.3Å; N115-D118 PolarHBondContact OD1-N 3.05Å; N115-D118 PolarHBondContact OD1-OD2 3.49Å; N115-S119 WeakPolarHBondContact O-CB 3.34Å; N115-S119 PolarHBondContact O-N 3.23Å; N115-S119 PolarHBondContact O-OG 2.95Å; N115-C208 WeakPolarHBondContact CB-O 3.27Å; N115-L210 WeakPolarHBondContact CA-O 2.99Å
116	W	98.9	Very high	98.7	Very high	11 Å²	11	54.2 Å²	54.2	4%	0.042	27%	0.272	C	S	.	.	H	α-helix	trans	-62.4	-42.2	-172.7	-171.8	88.5	0	0	0	112.5	S119 I120 L130 W154 M155 S158 L160 V169 C195 C208	W116-S119 WeakPolarHBondContact O-CB 3.37Å; W116-S119 PolarHBondContact O-N 3.15Å; W116-I120 HydrophobicContact CD2-CD1 4.07Å; W116-I120 HydrophobicContact CE3-CD1 3.57Å; W116-I120 HydrophobicContact CE3-CG1 4.45Å; W116-I120 HydrophobicContact CH2-CD1 3.45Å; W116-I120 VanDerWaalsContact CH2-CD1 3.45Å; W116-I120 HydrophobicContact CZ2-CD1 3.91Å; W116-I120 HydrophobicContact CZ3-CD1 3.25Å; W116-I120 HydrophobicContact CZ3-CG1 4.48Å; W116-I120 PolarHBondContact O-N 3.02Å; W116-L130 HydrophobicContact CD2-CD2 4.44Å; W116-L130 HydrophobicContact CG-CD2 4.48Å; W116-L130 HydrophobicContact CZ2-CD2 4.46Å; W116-W154 HydrophobicContact CB-CD2 4.19Å; W116-W154 HydrophobicContact CB-CG 4.45Å; W116-W154 HydrophobicContact CB-CZ2 4.38Å; W116-W154 AromaticContact CD1-CD2 3.74Å; W116-W154 AromaticContact CD1-CE3 3.78Å; W116-W154 AromaticContact CD1-CG 3.86Å; W116-W154 HydrophobicContact CG-CD2 4.39Å; W116-M155 PolarHBondContact NE1-O 2.81Å; W116-S158 WeakPolarHBondContact CH2-OG 3.41Å; W116-L160 HydrophobicContact CE3-CD1 4.16Å; W116-L160 HydrophobicContact CH2-CD1 4.31Å; W116-L160 HydrophobicContact CZ3-CD1 3.68Å; W116-V169 HydrophobicContact CH2-CG1 3.59Å; W116-V169 HydrophobicContact CZ2-CG1 3.55Å; W116-C195 HydrophobicContact CB-CB 4.16Å; W116-C195 HydrophobicContact CD2-CB 4.32Å; W116-C195 HydrophobicContact CG-CB 3.86Å; W116-C208 HydrophobicContact CB-CB 4.26Å; W116-C208 PolarHBondContact N-O 3.34Å
117	H	98.9	Very high	98.7	Very high	93 Å²	93	57.2 Å²	57.2	43%	0.431	30%	0.303	S	S	.	.	H	α-helix	trans	-65	-43.3	178.8	-65	87.4	0	0	0	112.4	N115 S119 I120 T121	N115-H117 PolarHBondContact O-N 2.98Å; N115-H117 PolarHBondContact OD1-N 3.41Å; H117-S119 VanDerWaalsContact C-N 3.25Å; H117-S119 PolarHBondContact O-N 3.44Å; H117-I120 WeakPolarHBondContact O-CB 3.45Å; H117-I120 PolarHBondContact O-N 3.44Å; H117-T121 PolarHBondContact O-N 2.88Å; H117-T121 VanDerWaalsContact O-N 3.13Å; H117-T121 PolarHBondContact O-OG1 2.03Å
118	D	98.9	Very high	98.7	Very high	73 Å²	73	57.8 Å²	57.8	39%	0.39	31%	0.309	S	S	.	.	H	α-helix	trans	-69.5	-26.6	176.9	-71.1	-17.9	0	0	0	111.9	R114 N115 T121 A122	R114-D118 HydrophobicContact CB-CB 3.99Å; R114-D118 HydrophobicContact CG-CB 4.31Å; N115-D118 PolarHBondContact ND2-OD2 3.09Å; N115-D118 PolarHBondContact O-N 3.47Å; N115-D118 WeakPolarHBondContact OD1-CB 3.34Å; N115-D118 VanDerWaalsContact OD1-CG 3.3Å; N115-D118 PolarHBondContact OD1-N 3.05Å; N115-D118 PolarHBondContact OD1-OD2 3.49Å; D118-T121 PolarHBondContact O-N 3.13Å; D118-A122 WeakPolarHBondContact O-CB 3.46Å; D118-A122 PolarHBondContact O-N 2.87Å
119	S	98.9	Very high	98.7	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-71.2	-39.7	173.7	-58.7	0	0	0	0	111.7	R114 N115 W116 H117 T121 A122 C123	R114-S119 WeakPolarHBondContact CB-OG 3.39Å; N115-S119 WeakPolarHBondContact O-CB 3.34Å; N115-S119 PolarHBondContact O-N 3.23Å; N115-S119 PolarHBondContact O-OG 2.95Å; W116-S119 WeakPolarHBondContact O-CB 3.37Å; W116-S119 PolarHBondContact O-N 3.15Å; H117-S119 VanDerWaalsContact C-N 3.25Å; H117-S119 PolarHBondContact O-N 3.44Å; S119-T121 VanDerWaalsContact C-N 3.31Å; S119-T121 PolarHBondContact O-N 2.65Å; S119-A122 PolarHBondContact O-N 3.19Å; S119-C123 PolarHBondContact O-N 3.29Å; S119-C123 VanDerWaalsContact O-N 3.07Å; S119-C123 PolarHBondContact O-SG 3.19Å; S119-C123 VanDerWaalsContact O-SG 3.35Å
120	I	98.9	Very high	98.7	Very high	26 Å²	26	57 Å²	57	13%	0.133	31%	0.305	C	S	.	.	H	α-helix	trans	-57.4	-48.6	169.6	-68.7	174.4	0	0	0	110.2	W116 H117 C123 K124 L130 V169	W116-I120 HydrophobicContact CD2-CD1 4.07Å; W116-I120 HydrophobicContact CE3-CD1 3.57Å; W116-I120 HydrophobicContact CE3-CG1 4.45Å; W116-I120 HydrophobicContact CH2-CD1 3.45Å; W116-I120 VanDerWaalsContact CH2-CD1 3.45Å; W116-I120 HydrophobicContact CZ2-CD1 3.91Å; W116-I120 HydrophobicContact CZ3-CD1 3.25Å; W116-I120 HydrophobicContact CZ3-CG1 4.48Å; W116-I120 PolarHBondContact O-N 3.02Å; H117-I120 WeakPolarHBondContact O-CB 3.45Å; H117-I120 PolarHBondContact O-N 3.44Å; I120-C123 PolarHBondContact O-N 3.15Å; I120-K124 HydrophobicContact CG2-CD 4.09Å; I120-K124 WeakPolarHBondContact O-CG 3.3Å; I120-K124 PolarHBondContact O-N 3.39Å; I120-K124 VanDerWaalsContact O-N 3.09Å; I120-L130 HydrophobicContact CG1-CB 4.03Å; I120-L130 HydrophobicContact CG1-CD2 3.64Å; I120-L130 HydrophobicContact CG1-CG 4.48Å; I120-V169 HydrophobicContact CD1-CG1 3.72Å; I120-V169 HydrophobicContact CG1-CG1 4.26Å
121	T	98.9	Very high	98.7	Very high	65 Å²	65	56.9 Å²	56.9	40%	0.399	30%	0.304	S	S	.	.	H	α-helix	trans	-61.9	-45.6	-179.8	-57.1	0	0	0	0	111.1	H117 D118 S119 C123 K124 E125	H117-T121 PolarHBondContact O-N 2.88Å; H117-T121 VanDerWaalsContact O-N 3.13Å; H117-T121 PolarHBondContact O-OG1 2.03Å; D118-T121 PolarHBondContact O-N 3.13Å; S119-T121 VanDerWaalsContact C-N 3.31Å; S119-T121 PolarHBondContact O-N 2.65Å; T121-C123 VanDerWaalsContact C-N 3.3Å; T121-C123 PolarHBondContact O-N 3.48Å; T121-K124 WeakPolarHBondContact O-CB 3.01Å; T121-K124 PolarHBondContact O-N 2.75Å; T121-K124 VanDerWaalsContact O-N 3.08Å; T121-E125 WeakPolarHBondContact O-CG 3.48Å; T121-E125 PolarHBondContact O-N 3.48Å
122	A	98.8	Very high	98.8	Very high	8 Å²	8	51.5 Å²	51.5	7%	0.066	28%	0.275	C	S	.	.	H	α-helix	trans	-58.2	-38.9	177.4	0	0	0	0	0	113	D118 S119 W214	D118-A122 WeakPolarHBondContact O-CB 3.46Å; D118-A122 PolarHBondContact O-N 2.87Å; S119-A122 PolarHBondContact O-N 3.19Å; A122-W214 HydrophobicContact CB-CZ2 3.75Å
123	C	98.9	Very high	98.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-69.5	-39.6	175.8	-63.9	0	0	0	0	112.4	S119 I120 T121 E125 V126 G127 A128 Q129 W214 C216	S119-C123 PolarHBondContact O-N 3.29Å; S119-C123 VanDerWaalsContact O-N 3.07Å; S119-C123 PolarHBondContact O-SG 3.19Å; S119-C123 VanDerWaalsContact O-SG 3.35Å; I120-C123 PolarHBondContact O-N 3.15Å; T121-C123 VanDerWaalsContact C-N 3.3Å; T121-C123 PolarHBondContact O-N 3.48Å; C123-E125 VanDerWaalsContact C-N 3.32Å; C123-E125 PolarHBondContact O-N 3.32Å; C123-V126 VanDerWaalsContact O-CG2 3.26Å; C123-V126 WeakPolarHBondContact O-CG2 3.33Å; C123-V126 PolarHBondContact O-N 3.01Å; C123-G127 PolarHBondContact O-N 3.25Å; C123-A128 CarbonylContact C-O 3.56Å; C123-A128 VanDerWaalsContact C-O 3.24Å; C123-A128 HydrophobicContact CB-CB 4.4Å; C123-A128 CarbonylContact O-C 3.24Å; C123-A128 WeakPolarHBondContact O-CA 3.46Å; C123-A128 WeakPolarHBondContact O-CB 3.01Å; C123-A128 PolarHBondContact O-N 3.35Å; C123-A128 VanDerWaalsContact O-O 3.05Å; C123-Q129 VanDerWaalsContact CB-C 3.5Å; C123-W214 VanDerWaalsContact SG-CD1 3.51Å; C123-C216 WeakPolarHBondContact CA-SG 3.4Å; C123-C216 HydrophobicContact CB-CB 3.71Å; C123-C216 WeakPolarHBondContact CB-SG 3.43Å; C123-C216 WeakPolarHBondContact SG-CA 3.39Å; C123-C216 WeakPolarHBondContact SG-CB 3.05Å; C123-C216 CovalentContact SG-SG 2.04Å; C123-C216 PolarHBondContact SG-SG 2.87Å
124	K	98.8	Very high	98.8	Very high	144 Å²	144	48.6 Å²	48.6	63%	0.626	25%	0.253	S	S	*	.	H	α-helix	trans	-61.9	-39.6	176.5	-71.6	173.2	178.7	175.1	0	111.9	I120 T121 V126 G127 A128	I120-K124 HydrophobicContact CG2-CD 4.09Å; I120-K124 WeakPolarHBondContact O-CG 3.3Å; I120-K124 PolarHBondContact O-N 3.39Å; I120-K124 VanDerWaalsContact O-N 3.09Å; T121-K124 WeakPolarHBondContact O-CB 3.01Å; T121-K124 PolarHBondContact O-N 2.75Å; T121-K124 VanDerWaalsContact O-N 3.08Å; K124-V126 PolarHBondContact O-N 3.3Å; K124-V126 VanDerWaalsContact O-N 3.13Å; K124-G127 PolarHBondContact O-N 3.08Å; K124-A128 PolarHBondContact N-O 3.07Å
125	E	98.6	Very high	98.8	Very high	132 Å²	132	45.7 Å²	45.7	62%	0.617	25%	0.247	S	C	*	.	H	α-helix	trans	-56.4	-27.3	177.5	-73.2	169.4	178.6	0	0	113.3	T121 C123	T121-E125 WeakPolarHBondContact O-CG 3.48Å; T121-E125 PolarHBondContact O-N 3.48Å; C123-E125 VanDerWaalsContact C-N 3.32Å; C123-E125 PolarHBondContact O-N 3.32Å
126	V	98	Very high	98.8	Very high	69 Å²	69	45.4 Å²	45.4	42%	0.418	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.9	19.2	-179.8	-60.5	0	0	0	0	113.6	W99 C123 K124 A128 K218	W99-V126 HydrophobicContact CH2-CG2 3.88Å; W99-V126 HydrophobicContact CZ2-CB 4.3Å; W99-V126 HydrophobicContact CZ2-CG2 3.83Å; C123-V126 VanDerWaalsContact O-CG2 3.26Å; C123-V126 WeakPolarHBondContact O-CG2 3.33Å; C123-V126 PolarHBondContact O-N 3.01Å; K124-V126 PolarHBondContact O-N 3.3Å; K124-V126 VanDerWaalsContact O-N 3.13Å; V126-A128 VanDerWaalsContact C-N 3.32Å; V126-A128 HydrophobicContact CG2-CB 4.07Å; V126-A128 PolarHBondContact O-N 2.04Å; V126-K218 PolarHBondContact O-NZ 3.21Å; V126-K218 VanDerWaalsContact O-NZ 3.15Å
127	G	98.3	Very high	98.8	Very high	63 Å²	63	50 Å²	50	65%	0.649	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	34.9	179.1	0	0	0	0	0	113	C123 K124	C123-G127 PolarHBondContact O-N 3.25Å; K124-G127 PolarHBondContact O-N 3.08Å
128	A	98.8	Very high	98.8	Very high	15 Å²	15	45.8 Å²	45.8	12%	0.124	25%	0.253	C	S	.	.			trans	-128.8	-179.6	-179.5	0	0	0	0	0	111	W99 C123 K124 V126 C216 K217 K218	W99-A128 HydrophobicContact CH2-CB 3.77Å; W99-A128 HydrophobicContact CZ3-CB 4.23Å; C123-A128 CarbonylContact C-O 3.56Å; C123-A128 VanDerWaalsContact C-O 3.24Å; C123-A128 HydrophobicContact CB-CB 4.4Å; C123-A128 CarbonylContact O-C 3.24Å; C123-A128 WeakPolarHBondContact O-CA 3.46Å; C123-A128 WeakPolarHBondContact O-CB 3.01Å; C123-A128 PolarHBondContact O-N 3.35Å; C123-A128 VanDerWaalsContact O-O 3.05Å; K124-A128 PolarHBondContact N-O 3.07Å; V126-A128 VanDerWaalsContact C-N 3.32Å; V126-A128 HydrophobicContact CG2-CB 4.07Å; V126-A128 PolarHBondContact O-N 2.04Å; A128-C216 HydrophobicContact CB-CB 3.85Å; A128-K217 WeakPolarHBondContact CB-O 3.39Å; A128-K218 HydrophobicContact CB-CB 3.97Å; A128-K218 HydrophobicContact CB-CD 4.28Å; A128-K218 HydrophobicContact CB-CG 4.38Å
129	Q	98.9	Very high	98.8	Very high	74 Å²	74	42.5 Å²	42.5	35%	0.346	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	147.4	174.7	-165.9	177.8	55.2	0	0	109.8	C123 V131 V132 V169 C216 K217	C123-Q129 VanDerWaalsContact CB-C 3.5Å; Q129-V131 PolarHBondContact O-N 3.03Å; Q129-V132 VanDerWaalsContact OE1-CG2 3.28Å; Q129-V169 HydrophobicContact CG-CG2 3.72Å; Q129-C216 CarbonylContact O-C 3.53Å; Q129-C216 VanDerWaalsContact O-CA 3.29Å; Q129-C216 WeakPolarHBondContact O-CA 3.29Å; Q129-K217 PolarHBondContact N-O 3.39Å; Q129-K217 PolarHBondContact O-N 3.29Å
130	L	98.9	Very high	98.7	Very high	1 Å²	1	47 Å²	47	1%	0.005	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.4	130.4	165.9	-172.2	65.6	0	0	0	108	W116 I120 V132 W154 M155 V169 W214	W116-L130 HydrophobicContact CD2-CD2 4.44Å; W116-L130 HydrophobicContact CG-CD2 4.48Å; W116-L130 HydrophobicContact CZ2-CD2 4.46Å; I120-L130 HydrophobicContact CG1-CB 4.03Å; I120-L130 HydrophobicContact CG1-CD2 3.64Å; I120-L130 HydrophobicContact CG1-CG 4.48Å; L130-V132 PolarHBondContact O-N 3.31Å; L130-W154 HydrophobicContact CD1-CB 4.44Å; L130-M155 WeakPolarHBondContact CD2-O 3.4Å; L130-V169 WeakPolarHBondContact O-CG2 3.28Å; L130-W214 HydrophobicContact CD1-CB 3.79Å; L130-W214 HydrophobicContact CD1-CG 4.4Å
131	V	98.9	Very high	98.7	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	26%	0.259	C	S	.	.			trans	-56.4	125.1	-156.9	63.4	0	0	0	0	113.4	Y107 Q129 I133 L142 M155 G156 F198 I215 K217	Y107-V131 HydrophobicContact CD1-CG2 4.28Å; Y107-V131 HydrophobicContact CE1-CG2 4.05Å; Q129-V131 PolarHBondContact O-N 3.03Å; V131-I133 HydrophobicContact CG2-CG1 4.45Å; V131-L142 HydrophobicContact CG1-CD1 4.38Å; V131-L142 HydrophobicContact CG2-CD1 3.57Å; V131-M155 HydrophobicContact CG1-CB 3.83Å; V131-G156 WeakPolarHBondContact O-CA 3.12Å; V131-G156 PolarHBondContact O-N 3.03Å; V131-F198 HydrophobicContact CG1-CE2 4.41Å; V131-I215 HydrophobicContact CB-CB 4.27Å; V131-I215 HydrophobicContact CB-CG2 3.98Å; V131-I215 WeakPolarHBondContact CB-O 3.18Å; V131-I215 HydrophobicContact CG1-CB 3.83Å; V131-I215 HydrophobicContact CG1-CG2 4Å; V131-I215 HydrophobicContact CG2-CG2 4.45Å; V131-I215 PolarHBondContact N-O 3.33Å; V131-K217 HydrophobicContact CB-CB 4.24Å; V131-K217 HydrophobicContact CG2-CB 3.99Å; V131-K217 HydrophobicContact CG2-CD 4.04Å
132	V	98.9	Very high	98.7	Very high	3 Å²	3	44 Å²	44	2%	0.018	24%	0.24	C	C	.	.			trans	-105.7	118.6	169.6	177.7	0	0	0	0	108.6	Q129 L130 K134 W168 V169 D170 K217	Q129-V132 VanDerWaalsContact OE1-CG2 3.28Å; L130-V132 PolarHBondContact O-N 3.31Å; V132-K134 HydrophobicContact CG1-CD 4.05Å; V132-K134 VanDerWaalsContact CG1-CE 3.42Å; V132-W168 HydrophobicContact CB-CD2 4.47Å; V132-W168 HydrophobicContact CB-CE3 4.08Å; V132-W168 HydrophobicContact CG1-CB 3.8Å; V132-W168 HydrophobicContact CG1-CD2 3.72Å; V132-W168 HydrophobicContact CG1-CE3 3.82Å; V132-W168 HydrophobicContact CG1-CG 3.72Å; V132-W168 HydrophobicContact CG2-CB 4.08Å; V132-W168 HydrophobicContact CG2-CE3 4.14Å; V132-V169 HydrophobicContact CG2-CG2 3.55Å; V132-D170 HydrophobicContact CG2-CB 4.27Å; V132-K217 PolarHBondContact O-NZ 2.89Å
133	I	98.9	Very high	98.7	Very high	3 Å²	3	44.4 Å²	44.4	2%	0.015	24%	0.24	C	C	.	.			trans	-87.7	126.7	-173.6	-49.6	179.7	0	0	0	109.3	V131 S135 E138 Q139 L142 M155 W168 F178 F198 W203	V131-I133 HydrophobicContact CG2-CG1 4.45Å; I133-S135 WeakPolarHBondContact CG2-O 3.39Å; I133-E138 HydrophobicContact CG2-CB 4.08Å; I133-E138 HydrophobicContact CG2-CG 4.05Å; I133-Q139 HydrophobicContact CG2-CB 3.85Å; I133-L142 HydrophobicContact CD1-CD1 4.27Å; I133-L142 HydrophobicContact CG1-CD1 4.09Å; I133-M155 HydrophobicContact CD1-SD 4.07Å; I133-W168 HydrophobicContact CB-CH2 3.62Å; I133-W168 HydrophobicContact CB-CZ2 4.11Å; I133-W168 HydrophobicContact CB-CZ3 4.21Å; I133-W168 HydrophobicContact CD1-CH2 3.9Å; I133-W168 HydrophobicContact CD1-CZ3 4.44Å; I133-W168 HydrophobicContact CG1-CH2 3.62Å; I133-W168 HydrophobicContact CG1-CZ3 3.91Å; I133-F178 HydrophobicContact CB-CE1 4.39Å; I133-F178 HydrophobicContact CG2-CE1 3.94Å; I133-F198 HydrophobicContact CD1-CE1 4.14Å; I133-F198 HydrophobicContact CD1-CZ 3.67Å; I133-W203 HydrophobicContact CD1-CZ2 4.06Å
134	K	98.4	Very high	98.6	Very high	108 Å²	108	48.7 Å²	48.7	47%	0.47	26%	0.263	S	S	.	.			trans	-114.2	-11.7	-173.9	-62.6	-57.5	-170.7	-172	0	114.2	V132 E138 D170 S172	V132-K134 HydrophobicContact CG1-CD 4.05Å; V132-K134 VanDerWaalsContact CG1-CE 3.42Å; K134-E138 PolarHBondContact N-OE2 2.61Å; K134-D170 WeakPolarHBondContact CE-OD2 3.5Å; K134-D170 IonicContact NZ-OD1 2.68Å; K134-D170 IonicContact NZ-OD2 2.65Å; K134-D170 PolarHBondContact NZ-OD2 3.1Å; K134-S172 PolarHBondContact NZ-OG 3.19Å
135	S	98.8	Very high	98.5	Very high	29 Å²	29	44.8 Å²	44.8	20%	0.203	25%	0.246	C	C	.	.	S	Bend	trans	-144.8	162	178.4	72	0	0	0	0	112.7	I133 E137 E138 Q139	I133-S135 WeakPolarHBondContact CG2-O 3.39Å; S135-E137 VanDerWaalsContact C-N 3.29Å; S135-E137 WeakPolarHBondContact CB-OE2 3.21Å; S135-E137 PolarHBondContact OG-OE2 2.79Å; S135-E138 PolarHBondContact O-N 3.23Å; S135-E138 WeakPolarHBondContact OG-CB 3.26Å; S135-E138 PolarHBondContact OG-N 2.9Å; S135-E138 VanDerWaalsContact OG-N 3.09Å; S135-Q139 PolarHBondContact O-N 3.06Å
136	A	98.6	Very high	98.3	Very high	36 Å²	36	38.8 Å²	38.8	30%	0.298	22%	0.219	S	C	.	.	H	α-helix	trans	-65.8	-34.8	174.8	0	0	0	0	0	111.5	Q139 N140 Y181	A136-Q139 PolarHBondContact O-N 2.82Å; A136-N140 WeakPolarHBondContact O-CB 3.45Å; A136-N140 PolarHBondContact O-N 3.01Å; A136-N140 PolarHBondContact O-ND2 2.81Å; A136-Y181 WeakPolarHBondContact CA-OH 3.37Å; A136-Y181 VanDerWaalsContact CB-OH 3.29Å; A136-Y181 WeakPolarHBondContact CB-OH 3.15Å
137	E	98.8	Very high	98.1	Very high	108 Å²	108	37.6 Å²	37.6	51%	0.505	21%	0.214	S	C	.	.	H	α-helix	trans	-64.9	-42	176.5	-62.2	72.3	-157.8	0	0	111.1	F102 S135 N140 F141	F102-E137 HydrophobicContact CZ-CB 4.27Å; S135-E137 VanDerWaalsContact C-N 3.29Å; S135-E137 WeakPolarHBondContact CB-OE2 3.21Å; S135-E137 PolarHBondContact OG-OE2 2.79Å; E137-N140 PolarHBondContact O-N 2.86Å; E137-F141 WeakPolarHBondContact O-CB 3.47Å; E137-F141 PolarHBondContact O-N 2.84Å
138	E	98.9	Very high	97.8	Very high	5 Å²	5	43.9 Å²	43.9	2%	0.023	22%	0.218	C	C	.	.	H	α-helix	trans	-64.3	-46.3	174.7	-175.5	-177.7	-172	0	0	111.3	F102 Y107 I133 K134 S135 N140 F141 L142 K217	F102-E138 HydrophobicContact CE1-CB 4.22Å; Y107-E138 HydrophobicContact CE1-CG 4.41Å; Y107-E138 WeakPolarHBondContact CE1-OE1 3.37Å; Y107-E138 PolarHBondContact OH-OE1 2.84Å; I133-E138 HydrophobicContact CG2-CB 4.08Å; I133-E138 HydrophobicContact CG2-CG 4.05Å; K134-E138 PolarHBondContact N-OE2 2.61Å; S135-E138 PolarHBondContact O-N 3.23Å; S135-E138 WeakPolarHBondContact OG-CB 3.26Å; S135-E138 PolarHBondContact OG-N 2.9Å; S135-E138 VanDerWaalsContact OG-N 3.09Å; E138-N140 PolarHBondContact O-N 2.96Å; E138-F141 PolarHBondContact O-N 2.97Å; E138-L142 HydrophobicContact CG-CD1 3.95Å; E138-L142 HydrophobicContact CG-CG 4.42Å; E138-L142 WeakPolarHBondContact O-CG 3.19Å; E138-L142 PolarHBondContact O-N 3.29Å; E138-K217 WeakPolarHBondContact OE1-CD 3.25Å; E138-K217 VanDerWaalsContact OE1-CE 3.29Å; E138-K217 WeakPolarHBondContact OE1-CE 3.31Å; E138-K217 IonicContact OE1-NZ 3.19Å; E138-K217 PolarHBondContact OE1-NZ 3.29Å; E138-K217 IonicContact OE2-NZ 3.02Å; E138-K217 PolarHBondContact OE2-NZ 2.99Å
139	Q	98.8	Very high	97.6	Very high	3 Å²	3	45.8 Å²	45.8	1%	0.014	23%	0.23	C	C	.	.	H	α-helix	trans	-54.1	-51.6	175	166.9	51.1	18.7	0	0	111.4	I133 S135 A136 F141 L142 Q143 Y181 W203	I133-Q139 HydrophobicContact CG2-CB 3.85Å; S135-Q139 PolarHBondContact O-N 3.06Å; A136-Q139 PolarHBondContact O-N 2.82Å; Q139-F141 VanDerWaalsContact C-N 3.33Å; Q139-F141 PolarHBondContact O-N 2.82Å; Q139-L142 PolarHBondContact O-N 3Å; Q139-Q143 WeakPolarHBondContact O-CB 3.29Å; Q139-Q143 PolarHBondContact O-N 2.81Å; Q139-Y181 HydrophobicContact CB-CE1 4.45Å; Q139-Y181 HydrophobicContact CB-CE2 4.16Å; Q139-Y181 HydrophobicContact CG-CD1 3.57Å; Q139-Y181 HydrophobicContact CG-CD2 3.75Å; Q139-Y181 HydrophobicContact CG-CE1 3.47Å; Q139-Y181 VanDerWaalsContact CG-CE1 3.47Å; Q139-Y181 HydrophobicContact CG-CE2 3.67Å; Q139-Y181 HydrophobicContact CG-CG 3.71Å; Q139-W203 HydrophobicContact CG-CZ2 4.36Å
140	N	98.6	Very high	97.3	Very high	95 Å²	95	49.5 Å²	49.5	51%	0.508	25%	0.252	S	S	.	.	H	α-helix	trans	-62.6	-40.8	-178.7	-70	-25.7	0	0	0	111.9	A136 E137 E138 L144	A136-N140 WeakPolarHBondContact O-CB 3.45Å; A136-N140 PolarHBondContact O-N 3.01Å; A136-N140 PolarHBondContact O-ND2 2.81Å; E137-N140 PolarHBondContact O-N 2.86Å; E138-N140 PolarHBondContact O-N 2.96Å; N140-L144 WeakPolarHBondContact O-CB 3.33Å; N140-L144 PolarHBondContact O-N 2.98Å
141	F	98.6	Very high	97.2	Very high	29 Å²	29	53.3 Å²	53.3	13%	0.127	27%	0.267	C	S	.	.	H	α-helix	trans	-58.9	-50.4	175.7	164	-105.7	0	0	0	111.4	T100 F102 Y107 M109 E137 E138 Q139 L144 Q145	T100-F141 HydrophobicContact CG2-CE2 4.21Å; T100-F141 HydrophobicContact CG2-CZ 3.69Å; F102-F141 HydrophobicContact CB-CD1 3.95Å; F102-F141 HydrophobicContact CB-CD2 4.46Å; F102-F141 HydrophobicContact CB-CE1 3.64Å; F102-F141 HydrophobicContact CB-CE2 4.18Å; F102-F141 HydrophobicContact CB-CG 4.36Å; F102-F141 HydrophobicContact CB-CZ 3.78Å; F102-F141 HydrophobicContact CD1-CB 4.34Å; F102-F141 AromaticContact CD1-CD1 3.79Å; F102-F141 HydrophobicContact CD1-CD1 3.79Å; F102-F141 HydrophobicContact CD1-CE1 4.33Å; F102-F141 HydrophobicContact CD1-CG 4.06Å; F102-F141 HydrophobicContact CD2-CB 4.15Å; F102-F141 HydrophobicContact CD2-CD1 4.09Å; F102-F141 AromaticContact CD2-CD2 3.67Å; F102-F141 HydrophobicContact CD2-CD2 3.67Å; F102-F141 HydrophobicContact CD2-CE1 4.47Å; F102-F141 HydrophobicContact CD2-CE2 4.08Å; F102-F141 AromaticContact CD2-CG 3.69Å; F102-F141 HydrophobicContact CD2-CG 3.69Å; F102-F141 HydrophobicContact CD2-CZ 4.47Å; F102-F141 HydrophobicContact CE1-CB 4.03Å; F102-F141 HydrophobicContact CE1-CD1 4.3Å; F102-F141 HydrophobicContact CE1-CG 4.25Å; F102-F141 HydrophobicContact CE2-CB 3.81Å; F102-F141 HydrophobicContact CE2-CD2 4.05Å; F102-F141 AromaticContact CE2-CG 3.89Å; F102-F141 HydrophobicContact CE2-CG 3.89Å; F102-F141 HydrophobicContact CG-CB 4.4Å; F102-F141 AromaticContact CG-CD1 3.68Å; F102-F141 HydrophobicContact CG-CD1 3.68Å; F102-F141 HydrophobicContact CG-CD2 4.08Å; F102-F141 AromaticContact CG-CE1 3.92Å; F102-F141 HydrophobicContact CG-CE1 3.92Å; F102-F141 HydrophobicContact CG-CE2 4.29Å; F102-F141 AromaticContact CG-CG 3.77Å; F102-F141 HydrophobicContact CG-CG 3.77Å; F102-F141 HydrophobicContact CG-CZ 4.23Å; F102-F141 HydrophobicContact CZ-CB 3.74Å; F102-F141 HydrophobicContact CZ-CG 4.16Å; Y107-F141 AromaticContact CD2-CE1 3.96Å; Y107-F141 HydrophobicContact CD2-CE1 3.96Å; Y107-F141 HydrophobicContact CE2-CE1 4.25Å; Y107-F141 HydrophobicContact CG-CE1 4.19Å; M109-F141 HydrophobicContact CE-CE1 4.42Å; M109-F141 HydrophobicContact CE-CZ 4.49Å; E137-F141 WeakPolarHBondContact O-CB 3.47Å; E137-F141 PolarHBondContact O-N 2.84Å; E138-F141 PolarHBondContact O-N 2.97Å; Q139-F141 VanDerWaalsContact C-N 3.33Å; Q139-F141 PolarHBondContact O-N 2.82Å; F141-L144 PolarHBondContact O-N 3.09Å; F141-Q145 HydrophobicContact CD2-CG 4.48Å; F141-Q145 HydrophobicContact CE2-CG 4.05Å; F141-Q145 HydrophobicContact CZ-CG 4.09Å; F141-Q145 WeakPolarHBondContact O-CG 3.35Å; F141-Q145 PolarHBondContact O-N 3.42Å
142	L	98.6	Very high	97.2	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	29%	0.289	C	S	.	.	H	α-helix	trans	-70.9	-38	-177.4	-63.6	174.3	0	0	0	112.8	Y107 M109 V131 I133 E138 Q139 L144 Q145 S146 F198 I215	Y107-L142 HydrophobicContact CD1-CD2 3.69Å; Y107-L142 HydrophobicContact CE1-CD1 4.27Å; Y107-L142 HydrophobicContact CE1-CD2 4.02Å; Y107-L142 HydrophobicContact CG-CD2 4.25Å; M109-L142 HydrophobicContact CE-CD2 3.99Å; V131-L142 HydrophobicContact CG1-CD1 4.38Å; V131-L142 HydrophobicContact CG2-CD1 3.57Å; I133-L142 HydrophobicContact CD1-CD1 4.27Å; I133-L142 HydrophobicContact CG1-CD1 4.09Å; E138-L142 HydrophobicContact CG-CD1 3.95Å; E138-L142 HydrophobicContact CG-CG 4.42Å; E138-L142 WeakPolarHBondContact O-CG 3.19Å; E138-L142 PolarHBondContact O-N 3.29Å; Q139-L142 PolarHBondContact O-N 3Å; L142-L144 VanDerWaalsContact C-N 3.28Å; L142-L144 PolarHBondContact O-N 2.97Å; L142-Q145 PolarHBondContact O-N 2.67Å; L142-S146 PolarHBondContact O-N 2.79Å; L142-S146 PolarHBondContact O-OG 3.31Å; L142-F198 HydrophobicContact CB-CE1 4.03Å; L142-F198 HydrophobicContact CB-CE2 4.3Å; L142-F198 HydrophobicContact CB-CZ 3.62Å; L142-F198 HydrophobicContact CD1-CZ 4.16Å; L142-I215 HydrophobicContact CD2-CD1 4.27Å; L142-I215 HydrophobicContact CD2-CG2 4.27Å
143	Q	98.4	Very high	97.2	Very high	15 Å²	15	58.6 Å²	58.6	7%	0.07	29%	0.29	C	S	.	.	H	α-helix	trans	-58.9	-43.4	173.7	-170.5	69.8	58.5	0	0	110.7	Q139 S146 S147 G200 G202	Q139-Q143 WeakPolarHBondContact O-CB 3.29Å; Q139-Q143 PolarHBondContact O-N 2.81Å; Q143-S146 PolarHBondContact O-N 2.81Å; Q143-S147 WeakPolarHBondContact O-CB 3.36Å; Q143-S147 PolarHBondContact O-N 3.42Å; Q143-G200 PolarHBondContact NE2-O 3.39Å; Q143-G202 PolarHBondContact NE2-O 2.85Å; Q143-G202 PolarHBondContact OE1-O 3.22Å
144	L	97.6	Very high	97.2	Very high	91 Å²	91	58.4 Å²	58.4	48%	0.476	29%	0.289	S	S	.	.	H	α-helix	trans	-64.3	-41.7	178.4	-177.4	63.9	0	0	0	112	N140 F141 L142 R148	N140-L144 WeakPolarHBondContact O-CB 3.33Å; N140-L144 PolarHBondContact O-N 2.98Å; F141-L144 PolarHBondContact O-N 3.09Å; L142-L144 VanDerWaalsContact C-N 3.28Å; L142-L144 PolarHBondContact O-N 2.97Å; L144-R148 HydrophobicContact CD1-CG 4.02Å; L144-R148 HydrophobicContact CG-CG 4.42Å; L144-R148 WeakPolarHBondContact O-CB 3.46Å; L144-R148 VanDerWaalsContact O-CG 3.25Å; L144-R148 WeakPolarHBondContact O-CG 3.37Å; L144-R148 PolarHBondContact O-N 3.47Å
145	Q	95.9	Very high	97.2	Very high	61 Å²	61	53.3 Å²	53.3	29%	0.285	27%	0.267	S	S	.	.	H	α-helix	trans	-63.9	-44	177.1	-58.5	-44.5	-46.4	0	0	111.7	M109 F141 L142 S149	M109-Q145 HydrophobicContact CE-CB 4.38Å; M109-Q145 HydrophobicContact CE-CG 4.15Å; F141-Q145 HydrophobicContact CD2-CG 4.48Å; F141-Q145 HydrophobicContact CE2-CG 4.05Å; F141-Q145 HydrophobicContact CZ-CG 4.09Å; F141-Q145 WeakPolarHBondContact O-CG 3.35Å; F141-Q145 PolarHBondContact O-N 3.42Å; L142-Q145 PolarHBondContact O-N 2.67Å; Q145-S149 PolarHBondContact O-N 3.47Å; Q145-S149 PolarHBondContact O-OG 3.22Å
146	S	95.1	Very high	97.2	Very high	6 Å²	6	51.9 Å²	51.9	4%	0.042	26%	0.257	C	S	.	.	H	α-helix	trans	-67.6	-43.8	-179.6	-53.5	0	0	0	0	111.6	L142 Q143 S149 N150 R151	L142-S146 PolarHBondContact O-N 2.79Å; L142-S146 PolarHBondContact O-OG 3.31Å; Q143-S146 PolarHBondContact O-N 2.81Å; S146-S149 PolarHBondContact O-N 3.37Å; S146-S149 PolarHBondContact O-OG 2.94Å; S146-N150 PolarHBondContact O-N 3.4Å; S146-N150 VanDerWaalsContact O-N 3.15Å; S146-R151 PolarHBondContact O-N 3.03Å
147	S	93.4	Very high	97.2	Very high	44 Å²	44	50.2 Å²	50.2	31%	0.308	24%	0.243	S	C	.	.	H	α-helix	trans	-63	-46.8	177.2	179.8	0	0	0	0	112.1	Q143 S149 N150 G200 N201	Q143-S147 WeakPolarHBondContact O-CB 3.36Å; Q143-S147 PolarHBondContact O-N 3.42Å; S147-S149 VanDerWaalsContact C-N 3.27Å; S147-S149 PolarHBondContact O-N 3.06Å; S147-N150 PolarHBondContact O-N 2.73Å; S147-G200 WeakPolarHBondContact CB-O 3.44Å; S147-N201 PolarHBondContact OG-OD1 3.13Å
148	R	93	Very high	97.2	Very high	196 Å²	196	45.6 Å²	45.6	74%	0.74	22%	0.223	S	C	*	.	H	α-helix	trans	-64.3	-30.1	179.3	-75.1	-176.1	70.4	171.2	2.4	113.9	L144 N150	L144-R148 HydrophobicContact CD1-CG 4.02Å; L144-R148 HydrophobicContact CG-CG 4.42Å; L144-R148 WeakPolarHBondContact O-CB 3.46Å; L144-R148 VanDerWaalsContact O-CG 3.25Å; L144-R148 WeakPolarHBondContact O-CG 3.37Å; L144-R148 PolarHBondContact O-N 3.47Å; R148-N150 VanDerWaalsContact C-N 3.32Å
149	S	92.5	Very high	97.2	Very high	54 Å²	54	45.5 Å²	45.5	38%	0.378	22%	0.223	S	C	.	.	H	α-helix	trans	-85.2	-8.8	176.3	58	0	0	0	0	113	Q145 S146 S147 R151	Q145-S149 PolarHBondContact O-N 3.47Å; Q145-S149 PolarHBondContact O-OG 3.22Å; S146-S149 PolarHBondContact O-N 3.37Å; S146-S149 PolarHBondContact O-OG 2.94Å; S147-S149 VanDerWaalsContact C-N 3.27Å; S147-S149 PolarHBondContact O-N 3.06Å; S149-R151 PolarHBondContact O-N 2.88Å
150	N	94.3	Very high	97.2	Very high	152 Å²	152	48.6 Å²	48.6	81%	0.813	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	41.8	-173.8	-165	45.9	0	0	0	111.8	S146 S147 R148	S146-N150 PolarHBondContact O-N 3.4Å; S146-N150 VanDerWaalsContact O-N 3.15Å; S147-N150 PolarHBondContact O-N 2.73Å; R148-N150 VanDerWaalsContact C-N 3.32Å
151	R	95.8	Very high	97.1	Very high	81 Å²	81	50.2 Å²	50.2	31%	0.306	25%	0.248	S	C	.	.			trans	-115.7	122.6	-176.7	-72.2	178.8	177.8	179	1.1	110.9	S110 N111 S146 S149 T153 F213	S110-R151 PolarHBondContact O-NH1 2.93Å; S110-R151 VanDerWaalsContact O-NH1 3.09Å; N111-R151 PolarHBondContact OD1-NH1 2.85Å; S146-R151 PolarHBondContact O-N 3.03Å; S149-R151 PolarHBondContact O-N 2.88Å; R151-T153 PolarHBondContact O-N 2.79Å; R151-T153 PolarHBondContact O-OG1 3.12Å; R151-F213 HydrophobicContact CB-CD2 3.65Å; R151-F213 HydrophobicContact CB-CE2 4.09Å; R151-F213 HydrophobicContact CB-CG 4.19Å; R151-F213 HydrophobicContact CG-CD2 3.64Å; R151-F213 HydrophobicContact CG-CE2 3.58Å; R151-F213 HydrophobicContact CG-CG 4.22Å; R151-F213 HydrophobicContact CG-CZ 4.1Å
152	F	98.6	Very high	97.1	Very high	108 Å²	108	54.9 Å²	54.9	47%	0.474	27%	0.27	S	S	.	.			trans	-62.6	122.7	162.2	-67.1	-54.6	0	0	0	109.7	E197 S199 K212 F213	F152-E197 VanDerWaalsContact CB-OE2 3.26Å; F152-E197 WeakPolarHBondContact CB-OE2 3.38Å; F152-S199 WeakPolarHBondContact CE1-OG 3.34Å; F152-K212 HydrophobicContact CB-CD 4.25Å; F152-F213 PolarHBondContact O-N 2.88Å; F152-F213 VanDerWaalsContact O-N 3.16Å
153	T	98.9	Very high	97.1	Very high	6 Å²	6	59.9 Å²	59.9	4%	0.037	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	121.1	-163.6	-55.1	0	0	0	0	112.2	R151 E197 F198 F213 I215	R151-T153 PolarHBondContact O-N 2.79Å; R151-T153 PolarHBondContact O-OG1 3.12Å; T153-E197 CarbonylContact O-C 3.49Å; T153-E197 VanDerWaalsContact O-CA 3.27Å; T153-E197 WeakPolarHBondContact O-CA 3.41Å; T153-F198 HydrophobicContact CG2-CD2 4.47Å; T153-F198 PolarHBondContact N-O 2.93Å; T153-F198 WeakPolarHBondContact O-CD2 3.35Å; T153-F198 PolarHBondContact O-N 3.46Å; T153-F213 CarbonylContact C-O 3.56Å; T153-F213 VanDerWaalsContact CA-O 3.26Å; T153-F213 WeakPolarHBondContact CA-O 3.33Å; T153-F213 HydrophobicContact CG2-CB 4.2Å; T153-I215 HydrophobicContact CG2-CD1 3.73Å; T153-I215 HydrophobicContact CG2-CG1 3.59Å
154	W	98.9	Very high	97	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.8	140.8	176.8	-67.7	133.4	0	0	0	113	R114 W116 L130 C195 E197 D206 L210 K212 F213 W214 I215	R114-W154 PolarHBondContact O-NE1 3.49Å; R114-W154 VanDerWaalsContact O-NE1 3.1Å; W116-W154 HydrophobicContact CB-CD2 4.19Å; W116-W154 HydrophobicContact CB-CG 4.45Å; W116-W154 HydrophobicContact CB-CZ2 4.38Å; W116-W154 AromaticContact CD1-CD2 3.74Å; W116-W154 AromaticContact CD1-CE3 3.78Å; W116-W154 AromaticContact CD1-CG 3.86Å; W116-W154 HydrophobicContact CG-CD2 4.39Å; L130-W154 HydrophobicContact CD1-CB 4.44Å; W154-C195 HydrophobicContact CE3-CB 4.28Å; W154-C195 HydrophobicContact CH2-CB 4.05Å; W154-C195 HydrophobicContact CZ3-CB 3.75Å; W154-C195 WeakPolarHBondContact CZ3-O 3.44Å; W154-E197 HydrophobicContact CE3-CB 3.81Å; W154-E197 HydrophobicContact CZ3-CB 3.94Å; W154-D206 HydrophobicContact CH2-CB 3.99Å; W154-D206 HydrophobicContact CZ3-CB 4.25Å; W154-L210 HydrophobicContact CZ2-CB 4.37Å; W154-L210 WeakPolarHBondContact CZ2-O 3.45Å; W154-L210 PolarHBondContact NE1-O 3.04Å; W154-K212 HydrophobicContact CD2-CB 4.23Å; W154-K212 HydrophobicContact CD2-CD 3.84Å; W154-K212 HydrophobicContact CD2-CG 4.38Å; W154-K212 HydrophobicContact CE3-CD 4Å; W154-K212 HydrophobicContact CG-CB 4.22Å; W154-K212 HydrophobicContact CH2-CD 3.64Å; W154-K212 HydrophobicContact CH2-CG 4.48Å; W154-K212 HydrophobicContact CZ2-CB 4.43Å; W154-K212 HydrophobicContact CZ2-CD 3.46Å; W154-K212 VanDerWaalsContact CZ2-CD 3.46Å; W154-K212 HydrophobicContact CZ2-CG 3.82Å; W154-K212 HydrophobicContact CZ3-CD 3.89Å; W154-F213 PolarHBondContact N-O 3.15Å; W154-W214 HydrophobicContact CB-CB 4.16Å; W154-I215 PolarHBondContact O-N 3.3Å
155	M	98.9	Very high	97	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	167.4	163.1	72.9	-178	80	0	0	110.7	W116 L130 V131 I133 L157 W168 A196 F198 W203	W116-M155 PolarHBondContact NE1-O 2.81Å; L130-M155 WeakPolarHBondContact CD2-O 3.4Å; V131-M155 HydrophobicContact CG1-CB 3.83Å; I133-M155 HydrophobicContact CD1-SD 4.07Å; M155-L157 HydrophobicContact CG-CB 3.82Å; M155-L157 PolarHBondContact O-N 2.96Å; M155-L157 HydrophobicContact SD-CB 4.12Å; M155-L157 HydrophobicContact SD-CD2 4.16Å; M155-W168 HydrophobicContact CG-CZ3 4.31Å; M155-W168 HydrophobicContact SD-CH2 3.94Å; M155-W168 HydrophobicContact SD-CZ3 4.01Å; M155-A196 HydrophobicContact CG-CB 3.92Å; M155-A196 PolarHBondContact N-O 3.3Å; M155-A196 HydrophobicContact SD-CB 4.22Å; M155-F198 HydrophobicContact CB-CE2 3.95Å; M155-F198 HydrophobicContact CE-CD1 3.87Å; M155-F198 HydrophobicContact CE-CD2 3.93Å; M155-F198 HydrophobicContact CE-CE1 3.79Å; M155-F198 HydrophobicContact CE-CE2 3.83Å; M155-F198 HydrophobicContact CE-CG 3.96Å; M155-F198 HydrophobicContact CE-CZ 3.77Å; M155-W203 HydrophobicContact CE-CB 4.46Å; M155-W203 VanDerWaalsContact CE-CD1 3.43Å; M155-W203 HydrophobicContact CE-CD2 4.07Å; M155-W203 HydrophobicContact CE-CG 3.77Å; M155-W203 HydrophobicContact SD-CD2 4.38Å; M155-W203 HydrophobicContact SD-CZ2 4.41Å
156	G	98.9	Very high	97.2	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	47.3	-176.7	0	0	0	0	0	113.5	V131 W168 V169	V131-G156 WeakPolarHBondContact O-CA 3.12Å; V131-G156 PolarHBondContact O-N 3.03Å; G156-W168 CarbonylContact O-C 3.58Å; G156-W168 WeakPolarHBondContact O-CA 3.46Å; G156-V169 PolarHBondContact O-N 2.03Å
157	L	98.9	Very high	97.4	Very high	0 Å²	0	61.4 Å²	61.4	0%	0	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	129.9	-176.7	-178.9	64.9	0	0	0	109.6	M155 W166 W168 L174 W182 A196 W203	M155-L157 HydrophobicContact CG-CB 3.82Å; M155-L157 PolarHBondContact O-N 2.96Å; M155-L157 HydrophobicContact SD-CB 4.12Å; M155-L157 HydrophobicContact SD-CD2 4.16Å; L157-W166 HydrophobicContact CD1-CB 4.02Å; L157-W166 HydrophobicContact CD1-CE3 4.34Å; L157-W166 HydrophobicContact CD2-CE3 4.31Å; L157-W166 HydrophobicContact CG-CE3 3.73Å; L157-W166 HydrophobicContact CG-CZ3 4.39Å; L157-W168 HydrophobicContact CB-CD2 4.3Å; L157-W168 HydrophobicContact CB-CE3 3.78Å; L157-W168 HydrophobicContact CB-CH2 4.2Å; L157-W168 HydrophobicContact CB-CZ3 3.73Å; L157-W168 HydrophobicContact CD1-CD2 3.86Å; L157-W168 HydrophobicContact CD1-CE3 4.22Å; L157-W168 HydrophobicContact CD1-CG 4.16Å; L157-W168 HydrophobicContact CD1-CZ2 4.32Å; L157-W168 HydrophobicContact CD2-CH2 4.09Å; L157-W168 HydrophobicContact CD2-CZ2 4.2Å; L157-W168 HydrophobicContact CD2-CZ3 4.47Å; L157-W168 HydrophobicContact CG-CE3 4.49Å; L157-W168 HydrophobicContact CG-CZ3 4.47Å; L157-L174 HydrophobicContact CD1-CB 4.26Å; L157-L174 HydrophobicContact CD1-CD1 4.35Å; L157-L174 HydrophobicContact CD2-CD1 4.1Å; L157-L174 HydrophobicContact CD2-CD2 4.37Å; L157-W182 HydrophobicContact CD2-CH2 4.47Å; L157-W182 HydrophobicContact CD2-CZ2 4.16Å; L157-A196 HydrophobicContact CB-CB 3.84Å; L157-A196 HydrophobicContact CD2-CB 3.97Å; L157-A196 HydrophobicContact CG-CB 4.02Å; L157-A196 WeakPolarHBondContact O-CB 3.17Å; L157-A196 PolarHBondContact O-N 3.41Å; L157-W203 HydrophobicContact CD2-CE3 4.24Å; L157-W203 HydrophobicContact CD2-CH2 4.47Å; L157-W203 HydrophobicContact CD2-CZ3 3.93Å
158	S	98.9	Very high	97.6	Very high	11 Å²	11	59.8 Å²	59.8	8%	0.077	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	157.2	-178.2	60.8	0	0	0	0	111.4	W116 W166 Q167 D194	W116-S158 WeakPolarHBondContact CH2-OG 3.41Å; S158-W166 VanDerWaalsContact C-CE3 3.49Å; S158-Q167 PolarHBondContact N-O 2.87Å; S158-Q167 PolarHBondContact O-N 3.22Å; S158-Q167 VanDerWaalsContact O-O 3.09Å; S158-D194 CarbonylContact C-O 3.57Å; S158-D194 WeakPolarHBondContact CA-O 3.36Å; S158-D194 WeakPolarHBondContact CB-O 3.39Å
159	D	98.8	Very high	97.9	Very high	4 Å²	4	52.5 Å²	52.5	2%	0.021	28%	0.279	C	S	.	.			trans	-115.6	16.8	168	66.1	-22.7	0	0	0	113.4	N161 Q162 E163 G164 W166 D194	D159-N161 PolarHBondContact O-N 3.27Å; D159-Q162 CarbonylContact O-C 3.43Å; D159-Q162 PolarHBondContact O-N 2.99Å; D159-Q162 VanDerWaalsContact O-O 3.1Å; D159-E163 PolarHBondContact O-N 3.29Å; D159-G164 PolarHBondContact OD2-N 3.49Å; D159-W166 HydrophobicContact CB-CD2 3.98Å; D159-W166 HydrophobicContact CB-CE3 4.32Å; D159-W166 HydrophobicContact CB-CG 4.09Å; D159-D194 PolarHBondContact N-O 2.98Å; D159-D194 VanDerWaalsContact N-O 3.08Å; D159-D194 WeakPolarHBondContact OD1-CA 3.34Å
160	L	98.3	Very high	98.2	Very high	67 Å²	67	53.2 Å²	53.2	35%	0.351	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-41.4	-34.5	172.3	-75.9	165.7	0	0	0	115.8	W116 D194	W116-L160 HydrophobicContact CE3-CD1 4.16Å; W116-L160 HydrophobicContact CH2-CD1 4.31Å; W116-L160 HydrophobicContact CZ3-CD1 3.68Å; L160-D194 HydrophobicContact CB-CB 4.49Å; L160-D194 HydrophobicContact CD2-CB 3.61Å; L160-D194 WeakPolarHBondContact CD2-OD2 3.15Å; L160-D194 HydrophobicContact CG-CB 3.73Å
161	N	97.4	Very high	98.4	Very high	130 Å²	130	47.9 Å²	47.9	70%	0.695	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-31.9	-178.3	-70.6	-32.9	0	0	0	112.6	D159 Q167	D159-N161 PolarHBondContact O-N 3.27Å; N161-Q167 PolarHBondContact ND2-OE1 3.41Å
162	Q	97.8	Very high	98.5	Very high	126 Å²	126	45.6 Å²	45.6	59%	0.589	26%	0.256	S	S	*	.	S	Bend	trans	-161.4	109.4	-179.1	173.9	171.9	70.9	0	0	108.6	D159 G164 T165	D159-Q162 CarbonylContact O-C 3.43Å; D159-Q162 PolarHBondContact O-N 2.99Å; D159-Q162 VanDerWaalsContact O-O 3.1Å; Q162-G164 PolarHBondContact O-N 3.42Å; Q162-T165 WeakPolarHBondContact O-CA 3.12Å; Q162-T165 VanDerWaalsContact O-CB 3.28Å; Q162-T165 WeakPolarHBondContact O-CB 3.11Å; Q162-T165 PolarHBondContact O-N 3.15Å; Q162-T165 PolarHBondContact OE1-OG1 2.94Å; Q162-T165 VanDerWaalsContact OE1-OG1 3.12Å
163	E	98.2	Very high	98.5	Very high	106 Å²	106	44.7 Å²	44.7	50%	0.495	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-40.7	129.4	174.9	178.6	56.6	-143.3	0	0	113	D159 T165 N189	D159-E163 PolarHBondContact O-N 3.29Å; E163-T165 PolarHBondContact O-N 3.39Å; E163-N189 PolarHBondContact OE1-ND2 2.83Å; E163-N189 PolarHBondContact OE2-ND2 2.97Å
164	G	97.1	Very high	98.5	Very high	50 Å²	50	45.3 Å²	45.3	52%	0.515	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.1	-3.9	-178.4	0	0	0	0	0	114.8	D159 Q162	D159-G164 PolarHBondContact OD2-N 3.49Å; Q162-G164 PolarHBondContact O-N 3.42Å
165	T	98.3	Very high	98.5	Very high	73 Å²	73	49.7 Å²	49.7	45%	0.448	29%	0.287	S	S	.	.			trans	-111.9	84	179.7	-55.1	0	0	0	0	111.1	Q162 E163 Q167	Q162-T165 WeakPolarHBondContact O-CA 3.12Å; Q162-T165 VanDerWaalsContact O-CB 3.28Å; Q162-T165 WeakPolarHBondContact O-CB 3.11Å; Q162-T165 PolarHBondContact O-N 3.15Å; Q162-T165 PolarHBondContact OE1-OG1 2.94Å; Q162-T165 VanDerWaalsContact OE1-OG1 3.12Å; E163-T165 PolarHBondContact O-N 3.39Å; T165-Q167 PolarHBondContact O-N 3.19Å
166	W	98.8	Very high	98.5	Very high	16 Å²	16	54.7 Å²	54.7	6%	0.061	32%	0.32	C	S	.	.			trans	-68.4	127.7	-178.8	-68	83.2	0	0	0	113.1	L157 S158 D159 L174 W182 P187 A196 D205	L157-W166 HydrophobicContact CD1-CB 4.02Å; L157-W166 HydrophobicContact CD1-CE3 4.34Å; L157-W166 HydrophobicContact CD2-CE3 4.31Å; L157-W166 HydrophobicContact CG-CE3 3.73Å; L157-W166 HydrophobicContact CG-CZ3 4.39Å; S158-W166 VanDerWaalsContact C-CE3 3.49Å; D159-W166 HydrophobicContact CB-CD2 3.98Å; D159-W166 HydrophobicContact CB-CE3 4.32Å; D159-W166 HydrophobicContact CB-CG 4.09Å; W166-L174 HydrophobicContact CB-CB 3.81Å; W166-L174 HydrophobicContact CB-CD2 3.72Å; W166-L174 HydrophobicContact CB-CG 4.4Å; W166-L174 HydrophobicContact CG-CD2 4.2Å; W166-L174 WeakPolarHBondContact O-CB 3.47Å; W166-L174 PolarHBondContact O-N 2.96Å; W166-W182 AromaticContact CD2-CH2 3.97Å; W166-W182 HydrophobicContact CD2-CH2 3.97Å; W166-W182 AromaticContact CD2-CZ2 3.6Å; W166-W182 HydrophobicContact CD2-CZ2 3.6Å; W166-W182 AromaticContact CE2-CH2 3.8Å; W166-W182 AromaticContact CE2-CZ2 3.58Å; W166-W182 AromaticContact CE3-CH2 3.97Å; W166-W182 HydrophobicContact CE3-CH2 3.97Å; W166-W182 AromaticContact CE3-CZ2 3.96Å; W166-W182 HydrophobicContact CE3-CZ2 3.96Å; W166-W182 HydrophobicContact CG-CZ2 4.09Å; W166-W182 AromaticContact CH2-CH2 3.55Å; W166-W182 HydrophobicContact CH2-CH2 3.55Å; W166-W182 HydrophobicContact CH2-CZ2 4.18Å; W166-W182 HydrophobicContact CH2-CZ3 4.42Å; W166-W182 AromaticContact CZ2-CH2 3.6Å; W166-W182 HydrophobicContact CZ2-CH2 3.6Å; W166-W182 AromaticContact CZ2-CZ2 3.89Å; W166-W182 HydrophobicContact CZ2-CZ2 3.89Å; W166-W182 HydrophobicContact CZ2-CZ3 4.45Å; W166-W182 AromaticContact CZ3-CH2 3.74Å; W166-W182 HydrophobicContact CZ3-CH2 3.74Å; W166-W182 HydrophobicContact CZ3-CZ2 4.21Å; W166-P187 HydrophobicContact CZ2-CB 3.68Å; W166-P187 HydrophobicContact CZ2-CG 4.29Å; W166-A196 HydrophobicContact CE3-CB 4.33Å; W166-A196 HydrophobicContact CH2-CB 4.27Å; W166-A196 HydrophobicContact CZ3-CB 3.65Å; W166-D205 HydrophobicContact CH2-CB 3.5Å; W166-D205 VanDerWaalsContact CH2-CB 3.5Å; W166-D205 HydrophobicContact CZ2-CB 3.57Å
167	Q	98.8	Very high	98.4	Very high	65 Å²	65	58 Å²	58	30%	0.304	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	139.8	-179.2	-168.2	-179.8	30.9	0	0	110.7	S158 N161 T165 G171 S172	S158-Q167 PolarHBondContact N-O 2.87Å; S158-Q167 PolarHBondContact O-N 3.22Å; S158-Q167 VanDerWaalsContact O-O 3.09Å; N161-Q167 PolarHBondContact ND2-OE1 3.41Å; T165-Q167 PolarHBondContact O-N 3.19Å; Q167-G171 PolarHBondContact NE2-O 2.91Å; Q167-S172 WeakPolarHBondContact CG-O 3.47Å
168	W	98.9	Very high	98.4	Very high	11 Å²	11	59 Å²	59	4%	0.042	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	154.1	173.1	-63.7	100.9	0	0	0	111.3	V132 I133 M155 G156 L157 D170 G171 S172 L174 W203	V132-W168 HydrophobicContact CB-CD2 4.47Å; V132-W168 HydrophobicContact CB-CE3 4.08Å; V132-W168 HydrophobicContact CG1-CB 3.8Å; V132-W168 HydrophobicContact CG1-CD2 3.72Å; V132-W168 HydrophobicContact CG1-CE3 3.82Å; V132-W168 HydrophobicContact CG1-CG 3.72Å; V132-W168 HydrophobicContact CG2-CB 4.08Å; V132-W168 HydrophobicContact CG2-CE3 4.14Å; I133-W168 HydrophobicContact CB-CH2 3.62Å; I133-W168 HydrophobicContact CB-CZ2 4.11Å; I133-W168 HydrophobicContact CB-CZ3 4.21Å; I133-W168 HydrophobicContact CD1-CH2 3.9Å; I133-W168 HydrophobicContact CD1-CZ3 4.44Å; I133-W168 HydrophobicContact CG1-CH2 3.62Å; I133-W168 HydrophobicContact CG1-CZ3 3.91Å; M155-W168 HydrophobicContact CG-CZ3 4.31Å; M155-W168 HydrophobicContact SD-CH2 3.94Å; M155-W168 HydrophobicContact SD-CZ3 4.01Å; G156-W168 CarbonylContact O-C 3.58Å; G156-W168 WeakPolarHBondContact O-CA 3.46Å; L157-W168 HydrophobicContact CB-CD2 4.3Å; L157-W168 HydrophobicContact CB-CE3 3.78Å; L157-W168 HydrophobicContact CB-CH2 4.2Å; L157-W168 HydrophobicContact CB-CZ3 3.73Å; L157-W168 HydrophobicContact CD1-CD2 3.86Å; L157-W168 HydrophobicContact CD1-CE3 4.22Å; L157-W168 HydrophobicContact CD1-CG 4.16Å; L157-W168 HydrophobicContact CD1-CZ2 4.32Å; L157-W168 HydrophobicContact CD2-CH2 4.09Å; L157-W168 HydrophobicContact CD2-CZ2 4.2Å; L157-W168 HydrophobicContact CD2-CZ3 4.47Å; L157-W168 HydrophobicContact CG-CE3 4.49Å; L157-W168 HydrophobicContact CG-CZ3 4.47Å; W168-D170 VanDerWaalsContact CB-OD1 3.26Å; W168-D170 WeakPolarHBondContact CB-OD1 3.34Å; W168-D170 PolarHBondContact O-N 2.98Å; W168-G171 WeakPolarHBondContact O-CA 3.36Å; W168-G171 PolarHBondContact O-N 3.16Å; W168-S172 WeakPolarHBondContact CB-O 3.27Å; W168-S172 VanDerWaalsContact CD1-O 3.31Å; W168-S172 PolarHBondContact N-O 2.92Å; W168-L174 HydrophobicContact CZ2-CD1 4.06Å; W168-W203 HydrophobicContact CH2-CH2 4.38Å; W168-W203 HydrophobicContact CZ2-CH2 4.35Å
169	V	98.8	Very high	98.4	Very high	43 Å²	43	64.4 Å²	64.4	26%	0.261	37%	0.369	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-10.3	178.6	-66.5	0	0	0	0	114.4	W116 I120 Q129 L130 V132 G156 G171	W116-V169 HydrophobicContact CH2-CG1 3.59Å; W116-V169 HydrophobicContact CZ2-CG1 3.55Å; I120-V169 HydrophobicContact CD1-CG1 3.72Å; I120-V169 HydrophobicContact CG1-CG1 4.26Å; Q129-V169 HydrophobicContact CG-CG2 3.72Å; L130-V169 WeakPolarHBondContact O-CG2 3.28Å; V132-V169 HydrophobicContact CG2-CG2 3.55Å; G156-V169 PolarHBondContact O-N 2.03Å; V169-G171 VanDerWaalsContact C-N 3.32Å
170	D	98.6	Very high	98.4	Very high	69 Å²	69	71 Å²	71	37%	0.369	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.8	3	169.8	75.2	-14.4	0	0	0	113.4	V132 K134 W168 S172	V132-D170 HydrophobicContact CG2-CB 4.27Å; K134-D170 WeakPolarHBondContact CE-OD2 3.5Å; K134-D170 IonicContact NZ-OD1 2.68Å; K134-D170 IonicContact NZ-OD2 2.65Å; K134-D170 PolarHBondContact NZ-OD2 3.1Å; W168-D170 VanDerWaalsContact CB-OD1 3.26Å; W168-D170 WeakPolarHBondContact CB-OD1 3.34Å; W168-D170 PolarHBondContact O-N 2.98Å; D170-S172 VanDerWaalsContact C-N 3.34Å; D170-S172 WeakPolarHBondContact OD1-CB 3.33Å; D170-S172 PolarHBondContact OD1-N 2.83Å; D170-S172 PolarHBondContact OD1-OG 3.32Å; D170-S172 PolarHBondContact OD2-OG 2.74Å
171	G	98.5	Very high	98.4	Very high	40 Å²	40	69.3 Å²	69.3	41%	0.412	39%	0.389	S	S	.	.	S	Bend	trans	87.5	-7.6	-179.6	0	0	0	0	0	114.6	Q167 W168 V169	Q167-G171 PolarHBondContact NE2-O 2.91Å; W168-G171 WeakPolarHBondContact O-CA 3.36Å; W168-G171 PolarHBondContact O-N 3.16Å; V169-G171 VanDerWaalsContact C-N 3.32Å
172	S	98.6	Very high	98.5	Very high	32 Å²	32	64.4 Å²	64.4	22%	0.224	36%	0.361	C	S	.	.	P	Polyproline II helix	trans	-71.9	142.1	177.8	63.2	0	0	0	0	111.8	K134 Q167 W168 D170	K134-S172 PolarHBondContact NZ-OG 3.19Å; Q167-S172 WeakPolarHBondContact CG-O 3.47Å; W168-S172 WeakPolarHBondContact CB-O 3.27Å; W168-S172 VanDerWaalsContact CD1-O 3.31Å; W168-S172 PolarHBondContact N-O 2.92Å; D170-S172 VanDerWaalsContact C-N 3.34Å; D170-S172 WeakPolarHBondContact OD1-CB 3.33Å; D170-S172 PolarHBondContact OD1-N 2.83Å; D170-S172 PolarHBondContact OD1-OG 3.32Å; D170-S172 PolarHBondContact OD2-OG 2.74Å
173	P	98.6	Very high	98.5	Very high	90 Å²	90	60.5 Å²	60.5	58%	0.584	34%	0.344	S	S	*	.	B	Isolated β-bridge	trans	-76	155.5	178.2	31.7	-35.4	0	0	0	111.6	L175	P173-L175 PolarHBondContact O-N 3.08Å
174	L	98.8	Very high	98.5	Very high	19 Å²	19	67.6 Å²	67.6	10%	0.099	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-67.7	119.3	169.8	-176.8	63.6	0	0	0	110.7	L157 W166 W168 F178 K179 W182 W203	L157-L174 HydrophobicContact CD1-CB 4.26Å; L157-L174 HydrophobicContact CD1-CD1 4.35Å; L157-L174 HydrophobicContact CD2-CD1 4.1Å; L157-L174 HydrophobicContact CD2-CD2 4.37Å; W166-L174 HydrophobicContact CB-CB 3.81Å; W166-L174 HydrophobicContact CB-CD2 3.72Å; W166-L174 HydrophobicContact CB-CG 4.4Å; W166-L174 HydrophobicContact CG-CD2 4.2Å; W166-L174 WeakPolarHBondContact O-CB 3.47Å; W166-L174 PolarHBondContact O-N 2.96Å; W168-L174 HydrophobicContact CZ2-CD1 4.06Å; L174-F178 HydrophobicContact CD1-CB 3.61Å; L174-F178 HydrophobicContact CD1-CG 4.49Å; L174-F178 HydrophobicContact CG-CB 4.49Å; L174-K179 HydrophobicContact CD2-CG 4.27Å; L174-W182 HydrophobicContact CD2-CZ2 4.41Å; L174-W203 HydrophobicContact CD1-CH2 4.18Å; L174-W203 HydrophobicContact CD1-CZ3 3.93Å
175	L	98.5	Very high	98.6	Very high	92 Å²	92	68 Å²	68	48%	0.482	37%	0.37	S	S	.	.	P	Polyproline II helix	trans	-69.9	145.1	178.3	-64.1	179.1	0	0	0	111.5	P173 S177 F178	P173-L175 PolarHBondContact O-N 3.08Å; L175-S177 PolarHBondContact O-N 3.46Å; L175-S177 VanDerWaalsContact O-N 3.15Å; L175-F178 HydrophobicContact CB-CD2 3.99Å; L175-F178 HydrophobicContact CD1-CD2 4.43Å; L175-F178 HydrophobicContact CD1-CE2 4.26Å; L175-F178 PolarHBondContact O-N 3.09Å
176	P	98.3	Very high	98.6	Very high	105 Å²	105	66.8 Å²	66.8	68%	0.682	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-55	-34.2	176.6	-27.3	35.1	0	0	0	114	F178 K179	P176-F178 PolarHBondContact O-N 3.42Å; P176-K179 WeakPolarHBondContact O-CB 3.47Å; P176-K179 PolarHBondContact O-N 2.92Å
177	S	98.4	Very high	98.6	Very high	69 Å²	69	68.7 Å²	68.7	48%	0.483	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-66.1	-21.2	177.4	53.1	0	0	0	0	113.7	L175 Q180	L175-S177 PolarHBondContact O-N 3.46Å; L175-S177 VanDerWaalsContact O-N 3.15Å; S177-Q180 WeakPolarHBondContact O-CG 3.46Å; S177-Q180 PolarHBondContact O-NE2 3.08Å
178	F	98.6	Very high	98.5	Very high	20 Å²	20	68.8 Å²	68.8	9%	0.088	38%	0.377	C	S	.	.	G	3₁₀ helix	trans	-88.8	-14.7	178.1	-78.9	-113.9	0	0	0	112.4	I133 L174 L175 P176 Q180 Y181 W203	I133-F178 HydrophobicContact CB-CE1 4.39Å; I133-F178 HydrophobicContact CG2-CE1 3.94Å; L174-F178 HydrophobicContact CD1-CB 3.61Å; L174-F178 HydrophobicContact CD1-CG 4.49Å; L174-F178 HydrophobicContact CG-CB 4.49Å; L175-F178 HydrophobicContact CB-CD2 3.99Å; L175-F178 HydrophobicContact CD1-CD2 4.43Å; L175-F178 HydrophobicContact CD1-CE2 4.26Å; L175-F178 PolarHBondContact O-N 3.09Å; P176-F178 PolarHBondContact O-N 3.42Å; F178-Q180 PolarHBondContact O-N 3.18Å; F178-Y181 HydrophobicContact CB-CD2 4.07Å; F178-Y181 HydrophobicContact CB-CE2 4.3Å; F178-Y181 AromaticContact CD1-CD2 3.99Å; F178-Y181 HydrophobicContact CD1-CD2 3.99Å; F178-Y181 AromaticContact CD1-CE2 3.8Å; F178-Y181 HydrophobicContact CD1-CE2 3.8Å; F178-Y181 HydrophobicContact CE1-CE2 4.34Å; F178-Y181 HydrophobicContact CG-CD2 4.24Å; F178-Y181 HydrophobicContact CG-CE2 4.06Å; F178-Y181 WeakPolarHBondContact O-CB 3.42Å; F178-Y181 WeakPolarHBondContact O-CD2 3.5Å; F178-Y181 PolarHBondContact O-N 3.23Å; F178-W203 HydrophobicContact CB-CH2 3.95Å; F178-W203 HydrophobicContact CB-CZ3 4.36Å; F178-W203 AromaticContact CD1-CH2 3.9Å; F178-W203 HydrophobicContact CD1-CH2 3.9Å; F178-W203 HydrophobicContact CD1-CZ2 4.4Å; F178-W203 HydrophobicContact CG-CH2 4.44Å; F178-W203 WeakPolarHBondContact O-CZ3 3.34Å
179	K	98.4	Very high	98.4	Very high	125 Å²	125	70.4 Å²	70.4	54%	0.543	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-60.7	-19.9	177.5	-63.7	-172.9	177	-166.8	0	113.3	L174 P176 Y181 W182	L174-K179 HydrophobicContact CD2-CG 4.27Å; P176-K179 WeakPolarHBondContact O-CB 3.47Å; P176-K179 PolarHBondContact O-N 2.92Å; K179-Y181 PolarHBondContact O-N 2.84Å; K179-W182 VanDerWaalsContact O-CD1 3.3Å; K179-W182 PolarHBondContact O-N 2.8Å
180	Q	98.6	Very high	98.2	Very high	143 Å²	143	72.9 Å²	72.9	67%	0.668	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-64.9	-14.8	175.2	73.7	-176	-63.5	0	0	114	S177 F178	S177-Q180 WeakPolarHBondContact O-CG 3.46Å; S177-Q180 PolarHBondContact O-NE2 3.08Å; F178-Q180 PolarHBondContact O-N 3.18Å
181	Y	98.8	Very high	97.8	Very high	32 Å²	32	71.8 Å²	71.8	13%	0.125	41%	0.406	C	S	.	.	G	3₁₀ helix	trans	-87.4	-11.7	-178.1	-60.4	-57.7	0	0	0	113.7	A136 Q139 F178 K179 G202 W203	A136-Y181 WeakPolarHBondContact CA-OH 3.37Å; A136-Y181 VanDerWaalsContact CB-OH 3.29Å; A136-Y181 WeakPolarHBondContact CB-OH 3.15Å; Q139-Y181 HydrophobicContact CB-CE1 4.45Å; Q139-Y181 HydrophobicContact CB-CE2 4.16Å; Q139-Y181 HydrophobicContact CG-CD1 3.57Å; Q139-Y181 HydrophobicContact CG-CD2 3.75Å; Q139-Y181 HydrophobicContact CG-CE1 3.47Å; Q139-Y181 VanDerWaalsContact CG-CE1 3.47Å; Q139-Y181 HydrophobicContact CG-CE2 3.67Å; Q139-Y181 HydrophobicContact CG-CG 3.71Å; F178-Y181 HydrophobicContact CB-CD2 4.07Å; F178-Y181 HydrophobicContact CB-CE2 4.3Å; F178-Y181 AromaticContact CD1-CD2 3.99Å; F178-Y181 HydrophobicContact CD1-CD2 3.99Å; F178-Y181 AromaticContact CD1-CE2 3.8Å; F178-Y181 HydrophobicContact CD1-CE2 3.8Å; F178-Y181 HydrophobicContact CE1-CE2 4.34Å; F178-Y181 HydrophobicContact CG-CD2 4.24Å; F178-Y181 HydrophobicContact CG-CE2 4.06Å; F178-Y181 WeakPolarHBondContact O-CB 3.42Å; F178-Y181 WeakPolarHBondContact O-CD2 3.5Å; F178-Y181 PolarHBondContact O-N 3.23Å; K179-Y181 PolarHBondContact O-N 2.84Å; Y181-G202 CarbonylContact O-C 3.02Å; Y181-G202 VanDerWaalsContact O-CA 3.25Å; Y181-G202 WeakPolarHBondContact O-CA 3.33Å; Y181-W203 AromaticContact CD2-CH2 3.78Å; Y181-W203 HydrophobicContact CD2-CH2 3.78Å; Y181-W203 AromaticContact CD2-CZ2 3.68Å; Y181-W203 HydrophobicContact CD2-CZ2 3.68Å; Y181-W203 HydrophobicContact CD2-CZ3 4.46Å; Y181-W203 HydrophobicContact CG-CH2 4.32Å; Y181-W203 AromaticContact CG-CZ2 3.95Å; Y181-W203 HydrophobicContact CG-CZ2 3.95Å; Y181-W203 PolarHBondContact O-N 2.86Å
182	W	98.9	Very high	97.6	Very high	26 Å²	26	77.4 Å²	77.4	10%	0.098	42%	0.422	C	S	.	.	B	Isolated β-bridge	trans	-60.2	137.8	167.9	-68.2	118.2	0	0	0	110.6	L157 W166 L174 K179 E186 P187 A196 W203 D205	L157-W182 HydrophobicContact CD2-CH2 4.47Å; L157-W182 HydrophobicContact CD2-CZ2 4.16Å; W166-W182 AromaticContact CD2-CH2 3.97Å; W166-W182 HydrophobicContact CD2-CH2 3.97Å; W166-W182 AromaticContact CD2-CZ2 3.6Å; W166-W182 HydrophobicContact CD2-CZ2 3.6Å; W166-W182 AromaticContact CE2-CH2 3.8Å; W166-W182 AromaticContact CE2-CZ2 3.58Å; W166-W182 AromaticContact CE3-CH2 3.97Å; W166-W182 HydrophobicContact CE3-CH2 3.97Å; W166-W182 AromaticContact CE3-CZ2 3.96Å; W166-W182 HydrophobicContact CE3-CZ2 3.96Å; W166-W182 HydrophobicContact CG-CZ2 4.09Å; W166-W182 AromaticContact CH2-CH2 3.55Å; W166-W182 HydrophobicContact CH2-CH2 3.55Å; W166-W182 HydrophobicContact CH2-CZ2 4.18Å; W166-W182 HydrophobicContact CH2-CZ3 4.42Å; W166-W182 AromaticContact CZ2-CH2 3.6Å; W166-W182 HydrophobicContact CZ2-CH2 3.6Å; W166-W182 AromaticContact CZ2-CZ2 3.89Å; W166-W182 HydrophobicContact CZ2-CZ2 3.89Å; W166-W182 HydrophobicContact CZ2-CZ3 4.45Å; W166-W182 AromaticContact CZ3-CH2 3.74Å; W166-W182 HydrophobicContact CZ3-CH2 3.74Å; W166-W182 HydrophobicContact CZ3-CZ2 4.21Å; L174-W182 HydrophobicContact CD2-CZ2 4.41Å; K179-W182 VanDerWaalsContact O-CD1 3.3Å; K179-W182 PolarHBondContact O-N 2.8Å; W182-E186 HydrophobicContact CB-CB 4.19Å; W182-E186 WeakPolarHBondContact CB-O 3.48Å; W182-E186 HydrophobicContact CE3-CB 4.02Å; W182-P187 HydrophobicContact CD2-CG 4.45Å; W182-P187 HydrophobicContact CE3-CB 4.48Å; W182-P187 HydrophobicContact CZ3-CB 4.49Å; W182-A196 HydrophobicContact CH2-CB 3.66Å; W182-A196 HydrophobicContact CZ3-CB 4.22Å; W182-W203 HydrophobicContact CD2-CB 4.08Å; W182-W203 HydrophobicContact CD2-CE3 4.02Å; W182-W203 AromaticContact CE2-CE3 3.9Å; W182-W203 HydrophobicContact CE3-CB 3.42Å; W182-W203 VanDerWaalsContact CE3-CB 3.42Å; W182-W203 HydrophobicContact CE3-CE3 4.4Å; W182-W203 HydrophobicContact CG-CE3 4.43Å; W182-W203 HydrophobicContact CH2-CB 4.46Å; W182-W203 HydrophobicContact CZ2-CE3 4.17Å; W182-W203 HydrophobicContact CZ3-CB 3.64Å; W182-D205 HydrophobicContact CZ3-CB 4.33Å
183	N	98.8	Very high	97.6	Very high	45 Å²	45	76.9 Å²	76.9	24%	0.241	42%	0.416	C	S	.	.	P	Polyproline II helix	trans	-62.1	162.2	171.8	-77.7	-44.4	0	0	0	110.5	G185 E186 S199 G202 W203	N183-G185 PolarHBondContact O-N 2.85Å; N183-E186 HydrophobicContact CB-CG 3.73Å; N183-E186 PolarHBondContact O-N 3.27Å; N183-S199 PolarHBondContact ND2-O 2.75Å; N183-G202 VanDerWaalsContact OD1-CA 3.31Å; N183-G202 WeakPolarHBondContact OD1-CA 3.39Å; N183-G202 PolarHBondContact OD1-N 3.36Å; N183-W203 WeakPolarHBondContact CB-O 3.47Å; N183-W203 PolarHBondContact N-O 2.74Å; N183-W203 PolarHBondContact ND2-O 3.3Å; N183-W203 VanDerWaalsContact ND2-O 3.15Å
184	R	98.4	Very high	97.6	Very high	254 Å²	254	74.2 Å²	74.2	96%	0.958	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	116.4	177.7	-179.8	-174.2	176.5	-173.5	-1	109.9
185	G	98.1	Very high	97.6	Very high	59 Å²	59	73.3 Å²	73.3	61%	0.608	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	109	-18.2	-177.9	0	0	0	0	0	112.5	N183 N188	N183-G185 PolarHBondContact O-N 2.85Å; G185-N188 WeakPolarHBondContact O-CB 3.07Å
186	E	98.6	Very high	97.7	Very high	47 Å²	47	69 Å²	69	22%	0.22	37%	0.369	C	S	.	.			trans	-98.2	156.4	-174	-43.6	-49.4	165	0	0	112.8	W182 N183 N188 N204	W182-E186 HydrophobicContact CB-CB 4.19Å; W182-E186 WeakPolarHBondContact CB-O 3.48Å; W182-E186 HydrophobicContact CE3-CB 4.02Å; N183-E186 HydrophobicContact CB-CG 3.73Å; N183-E186 PolarHBondContact O-N 3.27Å; E186-N188 VanDerWaalsContact OE2-CB 3.28Å; E186-N188 WeakPolarHBondContact OE2-CB 3Å; E186-N188 PolarHBondContact OE2-N 2.86Å; E186-N188 PolarHBondContact OE2-ND2 3.39Å; E186-N204 VanDerWaalsContact CD-OD1 3.25Å; E186-N204 PolarHBondContact OE1-OD1 2.68Å
187	P	98	Very high	97.7	Very high	56 Å²	56	64.1 Å²	64.1	36%	0.364	34%	0.337	S	S	.	.	S	Bend	cis	-71.5	138.1	-11.8	30.9	-33.3	0	0	0	111.5	W166 W182 D205	W166-P187 HydrophobicContact CZ2-CB 3.68Å; W166-P187 HydrophobicContact CZ2-CG 4.29Å; W182-P187 HydrophobicContact CD2-CG 4.45Å; W182-P187 HydrophobicContact CE3-CB 4.48Å; W182-P187 HydrophobicContact CZ3-CB 4.49Å; P187-D205 WeakPolarHBondContact CA-OD1 3.39Å; P187-D205 HydrophobicContact CB-CB 3.95Å; P187-D205 VanDerWaalsContact CB-CG 3.48Å; P187-D205 WeakPolarHBondContact CB-OD2 3.44Å
188	N	97.8	Very high	97.7	Very high	68 Å²	68	60.9 Å²	60.9	36%	0.364	32%	0.315	S	S	.	.			trans	-110.5	-15.1	-172.5	72.8	33.2	0	0	0	114.5	G185 E186 V190 E193 D205	G185-N188 WeakPolarHBondContact O-CB 3.07Å; E186-N188 VanDerWaalsContact OE2-CB 3.28Å; E186-N188 WeakPolarHBondContact OE2-CB 3Å; E186-N188 PolarHBondContact OE2-N 2.86Å; E186-N188 PolarHBondContact OE2-ND2 3.39Å; N188-V190 HydrophobicContact CB-CG2 4.24Å; N188-V190 PolarHBondContact O-N 3.41Å; N188-V190 VanDerWaalsContact OD1-CB 3.28Å; N188-V190 WeakPolarHBondContact OD1-CB 3.26Å; N188-V190 WeakPolarHBondContact OD1-CG2 3.38Å; N188-V190 PolarHBondContact OD1-N 3.43Å; N188-E193 PolarHBondContact OD1-OE2 3.37Å; N188-E193 VanDerWaalsContact OD1-OE2 3.05Å; N188-D205 PolarHBondContact N-OD1 3.01Å; N188-D205 VanDerWaalsContact N-OD1 3.09Å; N188-D205 PolarHBondContact N-OD2 3.34Å
189	N	97.3	Very high	97.7	Very high	45 Å²	45	61 Å²	61	24%	0.241	32%	0.318	C	S	.	.			trans	49.5	46.7	-177.2	-166.9	10.6	0	0	0	114.4	E163 G191 E192 E193 D205	E163-N189 PolarHBondContact OE1-ND2 2.83Å; E163-N189 PolarHBondContact OE2-ND2 2.97Å; N189-G191 VanDerWaalsContact C-N 3.35Å; N189-G191 PolarHBondContact O-N 3.22Å; N189-E192 WeakPolarHBondContact OD1-CA 3.45Å; N189-E192 PolarHBondContact OD1-N 3Å; N189-E193 PolarHBondContact OD1-N 3.07Å; N189-D205 WeakPolarHBondContact CA-OD2 3.36Å; N189-D205 PolarHBondContact N-OD2 3.4Å
190	V	93.8	Very high	97.6	Very high	94 Å²	94	57.3 Å²	57.3	57%	0.57	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.7	88.8	-177.3	170.4	0	0	0	0	110.4	N188 E193	N188-V190 HydrophobicContact CB-CG2 4.24Å; N188-V190 PolarHBondContact O-N 3.41Å; N188-V190 VanDerWaalsContact OD1-CB 3.28Å; N188-V190 WeakPolarHBondContact OD1-CB 3.26Å; N188-V190 WeakPolarHBondContact OD1-CG2 3.38Å; N188-V190 PolarHBondContact OD1-N 3.43Å; V190-E193 PolarHBondContact N-OE2 3.28Å
191	G	90.2	Very high	97.5	Very high	46 Å²	46	56.9 Å²	56.9	47%	0.474	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.1	47	176.9	0	0	0	0	0	113.3	N189 K207	N189-G191 VanDerWaalsContact C-N 3.35Å; N189-G191 PolarHBondContact O-N 3.22Å; G191-K207 VanDerWaalsContact O-CE 3.26Å; G191-K207 WeakPolarHBondContact O-CE 3.3Å; G191-K207 PolarHBondContact O-NZ 3.17Å
192	E	95.1	Very high	97.5	Very high	158 Å²	158	55.5 Å²	55.5	74%	0.738	31%	0.313	S	S	*	.	S	Bend	trans	68.9	71.4	173.5	-57.8	-173.6	156.7	0	0	112.1	N189	N189-E192 WeakPolarHBondContact OD1-CA 3.45Å; N189-E192 PolarHBondContact OD1-N 3Å
193	E	98.3	Very high	97.5	Very high	21 Å²	21	54.3 Å²	54.3	10%	0.098	31%	0.308	C	S	.	.			trans	-108.6	86	-176.5	-69.7	-175.4	141.2	0	0	110.7	N188 N189 V190 D205 K207	N188-E193 PolarHBondContact OD1-OE2 3.37Å; N188-E193 VanDerWaalsContact OD1-OE2 3.05Å; N189-E193 PolarHBondContact OD1-N 3.07Å; V190-E193 PolarHBondContact N-OE2 3.28Å; E193-D205 HydrophobicContact CB-CB 4.25Å; E193-D205 WeakPolarHBondContact O-CB 3.39Å; E193-K207 HydrophobicContact CG-CG 3.74Å
194	D	98.8	Very high	97.5	Very high	35 Å²	35	53.1 Å²	53.1	19%	0.187	30%	0.302	C	S	.	.			trans	-100.3	7.1	-168.2	-49.6	-27.4	0	0	0	114.6	S158 D159 L160	S158-D194 CarbonylContact C-O 3.57Å; S158-D194 WeakPolarHBondContact CA-O 3.36Å; S158-D194 WeakPolarHBondContact CB-O 3.39Å; D159-D194 PolarHBondContact N-O 2.98Å; D159-D194 VanDerWaalsContact N-O 3.08Å; D159-D194 WeakPolarHBondContact OD1-CA 3.34Å; L160-D194 HydrophobicContact CB-CB 4.49Å; L160-D194 HydrophobicContact CD2-CB 3.61Å; L160-D194 WeakPolarHBondContact CD2-OD2 3.15Å; L160-D194 HydrophobicContact CG-CB 3.73Å
195	C	98.9	Very high	97.5	Very high	0 Å²	0	41 Å²	41	0%	0	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	131.5	-172.4	-73.1	0	0	0	0	112.5	W116 W154 D206 C208	W116-C195 HydrophobicContact CB-CB 4.16Å; W116-C195 HydrophobicContact CD2-CB 4.32Å; W116-C195 HydrophobicContact CG-CB 3.86Å; W154-C195 HydrophobicContact CE3-CB 4.28Å; W154-C195 HydrophobicContact CH2-CB 4.05Å; W154-C195 HydrophobicContact CZ3-CB 3.75Å; W154-C195 WeakPolarHBondContact CZ3-O 3.44Å; C195-D206 PolarHBondContact N-O 2.88Å; C195-D206 PolarHBondContact O-N 3.23Å; C195-C208 HydrophobicContact CB-CB 3.96Å; C195-C208 WeakPolarHBondContact CB-SG 3.4Å; C195-C208 VanDerWaalsContact SG-CA 3.59Å; C195-C208 WeakPolarHBondContact SG-CB 3.14Å; C195-C208 CovalentContact SG-SG 2.03Å; C195-C208 PolarHBondContact SG-SG 3.02Å
196	A	98.9	Very high	97.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	138.1	-176.1	0	0	0	0	0	112.7	M155 L157 W166 W182 N204	M155-A196 HydrophobicContact CG-CB 3.92Å; M155-A196 PolarHBondContact N-O 3.3Å; M155-A196 HydrophobicContact SD-CB 4.22Å; L157-A196 HydrophobicContact CB-CB 3.84Å; L157-A196 HydrophobicContact CD2-CB 3.97Å; L157-A196 HydrophobicContact CG-CB 4.02Å; L157-A196 WeakPolarHBondContact O-CB 3.17Å; L157-A196 PolarHBondContact O-N 3.41Å; W166-A196 HydrophobicContact CE3-CB 4.33Å; W166-A196 HydrophobicContact CH2-CB 4.27Å; W166-A196 HydrophobicContact CZ3-CB 3.65Å; W182-A196 HydrophobicContact CH2-CB 3.66Å; W182-A196 HydrophobicContact CZ3-CB 4.22Å; A196-N204 WeakPolarHBondContact CA-O 3.27Å
197	E	98.9	Very high	97.6	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.019	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	160	171.6	62.6	164.8	179.2	0	0	112.8	F152 T153 W154 W203 N204 K212	F152-E197 VanDerWaalsContact CB-OE2 3.26Å; F152-E197 WeakPolarHBondContact CB-OE2 3.38Å; T153-E197 CarbonylContact O-C 3.49Å; T153-E197 VanDerWaalsContact O-CA 3.27Å; T153-E197 WeakPolarHBondContact O-CA 3.41Å; W154-E197 HydrophobicContact CE3-CB 3.81Å; W154-E197 HydrophobicContact CZ3-CB 3.94Å; E197-W203 WeakPolarHBondContact O-CA 3.48Å; E197-N204 HydrophobicContact CG-CB 3.85Å; E197-N204 WeakPolarHBondContact CG-O 3.44Å; E197-N204 PolarHBondContact N-O 3.05Å; E197-N204 PolarHBondContact O-N 2.65Å; E197-N204 PolarHBondContact OE1-ND2 3.04Å; E197-K212 HydrophobicContact CB-CD 4.25Å; E197-K212 IonicContact OE1-NZ 3.82Å; E197-K212 PolarHBondContact OE1-NZ 2.77Å; E197-K212 WeakPolarHBondContact OE2-CD 3.07Å; E197-K212 WeakPolarHBondContact OE2-CE 3.18Å; E197-K212 IonicContact OE2-NZ 2.65Å; E197-K212 PolarHBondContact OE2-NZ 3.09Å
198	F	98.9	Very high	97.6	Very high	1 Å²	1	38.7 Å²	38.7	0%	0.004	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	120.5	158.1	-62.9	-79.3	0	0	0	109.6	V131 I133 L142 T153 M155 W203 I215	V131-F198 HydrophobicContact CG1-CE2 4.41Å; I133-F198 HydrophobicContact CD1-CE1 4.14Å; I133-F198 HydrophobicContact CD1-CZ 3.67Å; L142-F198 HydrophobicContact CB-CE1 4.03Å; L142-F198 HydrophobicContact CB-CE2 4.3Å; L142-F198 HydrophobicContact CB-CZ 3.62Å; L142-F198 HydrophobicContact CD1-CZ 4.16Å; T153-F198 HydrophobicContact CG2-CD2 4.47Å; T153-F198 PolarHBondContact N-O 2.93Å; T153-F198 WeakPolarHBondContact O-CD2 3.35Å; T153-F198 PolarHBondContact O-N 3.46Å; M155-F198 HydrophobicContact CB-CE2 3.95Å; M155-F198 HydrophobicContact CE-CD1 3.87Å; M155-F198 HydrophobicContact CE-CD2 3.93Å; M155-F198 HydrophobicContact CE-CE1 3.79Å; M155-F198 HydrophobicContact CE-CE2 3.83Å; M155-F198 HydrophobicContact CE-CG 3.96Å; M155-F198 HydrophobicContact CE-CZ 3.77Å; F198-W203 AromaticContact CD1-CD1 3.96Å; F198-W203 AromaticContact CE1-NE1 3.75Å; F198-I215 HydrophobicContact CD2-CD1 4.36Å; F198-I215 HydrophobicContact CE2-CD1 4.1Å
199	S	98.4	Very high	97.7	Very high	23 Å²	23	41.2 Å²	41.2	16%	0.161	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	111.6	-179.5	177.9	0	0	0	0	110	F152 N183 N201 G202 N204	F152-S199 WeakPolarHBondContact CE1-OG 3.34Å; N183-S199 PolarHBondContact ND2-O 2.75Å; S199-N201 PolarHBondContact O-N 2.98Å; S199-N201 VanDerWaalsContact O-N 3.11Å; S199-G202 CarbonylContact C-O 3.45Å; S199-G202 PolarHBondContact N-O 2.86Å; S199-G202 CarbonylContact O-C 3.56Å; S199-G202 PolarHBondContact O-N 3.21Å; S199-N204 VanDerWaalsContact CB-CB 3.48Å
200	G	96.4	Very high	97.7	Very high	46 Å²	46	42.6 Å²	42.6	47%	0.474	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	-111.9	-174.8	0	0	0	0	0	112.7	Q143 S147	Q143-G200 PolarHBondContact NE2-O 3.39Å; S147-G200 WeakPolarHBondContact CB-O 3.44Å
201	N	96.9	Very high	98	Very high	134 Å²	134	41 Å²	41	72%	0.717	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-107.7	6.1	-176.7	-65.5	-36.3	0	0	0	114.1	S147 S199	S147-N201 PolarHBondContact OG-OD1 3.13Å; S199-N201 PolarHBondContact O-N 2.98Å; S199-N201 VanDerWaalsContact O-N 3.11Å
202	G	98.5	Very high	98.4	Very high	4 Å²	4	39.4 Å²	39.4	4%	0.041	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	-155.7	176.8	0	0	0	0	0	111.3	Q143 Y181 N183 S199	Q143-G202 PolarHBondContact NE2-O 2.85Å; Q143-G202 PolarHBondContact OE1-O 3.22Å; Y181-G202 CarbonylContact O-C 3.02Å; Y181-G202 VanDerWaalsContact O-CA 3.25Å; Y181-G202 WeakPolarHBondContact O-CA 3.33Å; N183-G202 VanDerWaalsContact OD1-CA 3.31Å; N183-G202 WeakPolarHBondContact OD1-CA 3.39Å; N183-G202 PolarHBondContact OD1-N 3.36Å; S199-G202 CarbonylContact C-O 3.45Å; S199-G202 PolarHBondContact N-O 2.86Å; S199-G202 CarbonylContact O-C 3.56Å; S199-G202 PolarHBondContact O-N 3.21Å
203	W	98.9	Very high	98.6	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	150.2	179.4	-52.6	-19.3	0	0	0	111.5	I133 Q139 M155 L157 W168 L174 F178 Y181 W182 N183 E197 F198	I133-W203 HydrophobicContact CD1-CZ2 4.06Å; Q139-W203 HydrophobicContact CG-CZ2 4.36Å; M155-W203 HydrophobicContact CE-CB 4.46Å; M155-W203 VanDerWaalsContact CE-CD1 3.43Å; M155-W203 HydrophobicContact CE-CD2 4.07Å; M155-W203 HydrophobicContact CE-CG 3.77Å; M155-W203 HydrophobicContact SD-CD2 4.38Å; M155-W203 HydrophobicContact SD-CZ2 4.41Å; L157-W203 HydrophobicContact CD2-CE3 4.24Å; L157-W203 HydrophobicContact CD2-CH2 4.47Å; L157-W203 HydrophobicContact CD2-CZ3 3.93Å; W168-W203 HydrophobicContact CH2-CH2 4.38Å; W168-W203 HydrophobicContact CZ2-CH2 4.35Å; L174-W203 HydrophobicContact CD1-CH2 4.18Å; L174-W203 HydrophobicContact CD1-CZ3 3.93Å; F178-W203 HydrophobicContact CB-CH2 3.95Å; F178-W203 HydrophobicContact CB-CZ3 4.36Å; F178-W203 AromaticContact CD1-CH2 3.9Å; F178-W203 HydrophobicContact CD1-CH2 3.9Å; F178-W203 HydrophobicContact CD1-CZ2 4.4Å; F178-W203 HydrophobicContact CG-CH2 4.44Å; F178-W203 WeakPolarHBondContact O-CZ3 3.34Å; Y181-W203 AromaticContact CD2-CH2 3.78Å; Y181-W203 HydrophobicContact CD2-CH2 3.78Å; Y181-W203 AromaticContact CD2-CZ2 3.68Å; Y181-W203 HydrophobicContact CD2-CZ2 3.68Å; Y181-W203 HydrophobicContact CD2-CZ3 4.46Å; Y181-W203 HydrophobicContact CG-CH2 4.32Å; Y181-W203 AromaticContact CG-CZ2 3.95Å; Y181-W203 HydrophobicContact CG-CZ2 3.95Å; Y181-W203 PolarHBondContact O-N 2.86Å; W182-W203 HydrophobicContact CD2-CB 4.08Å; W182-W203 HydrophobicContact CD2-CE3 4.02Å; W182-W203 AromaticContact CE2-CE3 3.9Å; W182-W203 HydrophobicContact CE3-CB 3.42Å; W182-W203 VanDerWaalsContact CE3-CB 3.42Å; W182-W203 HydrophobicContact CE3-CE3 4.4Å; W182-W203 HydrophobicContact CG-CE3 4.43Å; W182-W203 HydrophobicContact CH2-CB 4.46Å; W182-W203 HydrophobicContact CZ2-CE3 4.17Å; W182-W203 HydrophobicContact CZ3-CB 3.64Å; N183-W203 WeakPolarHBondContact CB-O 3.47Å; N183-W203 PolarHBondContact N-O 2.74Å; N183-W203 PolarHBondContact ND2-O 3.3Å; N183-W203 VanDerWaalsContact ND2-O 3.15Å; E197-W203 WeakPolarHBondContact O-CA 3.48Å; F198-W203 AromaticContact CD1-CD1 3.96Å; F198-W203 AromaticContact CE1-NE1 3.75Å
204	N	98.9	Very high	98.6	Very high	20 Å²	20	32.8 Å²	32.8	11%	0.107	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.3	142.5	172	178.7	61.3	0	0	0	108.5	E186 A196 E197 S199	E186-N204 VanDerWaalsContact CD-OD1 3.25Å; E186-N204 PolarHBondContact OE1-OD1 2.68Å; A196-N204 WeakPolarHBondContact CA-O 3.27Å; E197-N204 HydrophobicContact CG-CB 3.85Å; E197-N204 WeakPolarHBondContact CG-O 3.44Å; E197-N204 PolarHBondContact N-O 3.05Å; E197-N204 PolarHBondContact O-N 2.65Å; E197-N204 PolarHBondContact OE1-ND2 3.04Å; S199-N204 VanDerWaalsContact CB-CB 3.48Å
205	D	98.8	Very high	98.6	Very high	1 Å²	1	31.2 Å²	31.2	1%	0.005	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	136.4	165.2	56.7	-42.5	0	0	0	108.7	W166 W182 P187 N188 N189 E193	W166-D205 HydrophobicContact CH2-CB 3.5Å; W166-D205 VanDerWaalsContact CH2-CB 3.5Å; W166-D205 HydrophobicContact CZ2-CB 3.57Å; W182-D205 HydrophobicContact CZ3-CB 4.33Å; P187-D205 WeakPolarHBondContact CA-OD1 3.39Å; P187-D205 HydrophobicContact CB-CB 3.95Å; P187-D205 VanDerWaalsContact CB-CG 3.48Å; P187-D205 WeakPolarHBondContact CB-OD2 3.44Å; N188-D205 PolarHBondContact N-OD1 3.01Å; N188-D205 VanDerWaalsContact N-OD1 3.09Å; N188-D205 PolarHBondContact N-OD2 3.34Å; N189-D205 WeakPolarHBondContact CA-OD2 3.36Å; N189-D205 PolarHBondContact N-OD2 3.4Å; E193-D205 HydrophobicContact CB-CB 4.25Å; E193-D205 WeakPolarHBondContact O-CB 3.39Å
206	D	98.8	Very high	98.6	Very high	20 Å²	20	31.2 Å²	31.2	11%	0.107	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.8	165.8	-179.8	-155.3	-24.2	0	0	0	110.1	W154 C195 C208 L210 K212	W154-D206 HydrophobicContact CH2-CB 3.99Å; W154-D206 HydrophobicContact CZ3-CB 4.25Å; C195-D206 PolarHBondContact N-O 2.88Å; C195-D206 PolarHBondContact O-N 3.23Å; D206-C208 PolarHBondContact O-N 3.28Å; D206-L210 WeakPolarHBondContact OD1-CD1 3.43Å; D206-K212 WeakPolarHBondContact OD2-CE 3.04Å; D206-K212 IonicContact OD2-NZ 2.74Å; D206-K212 PolarHBondContact OD2-NZ 3.03Å
207	K	98.8	Very high	98.6	Very high	77 Å²	77	32.6 Å²	32.6	34%	0.335	19%	0.189	S	C	.	.			trans	-64.4	121.6	-176.7	-52.9	-171	-172.4	-146.9	0	109.8	G191 E193 N209 L210	G191-K207 VanDerWaalsContact O-CE 3.26Å; G191-K207 WeakPolarHBondContact O-CE 3.3Å; G191-K207 PolarHBondContact O-NZ 3.17Å; E193-K207 HydrophobicContact CG-CG 3.74Å; K207-N209 WeakPolarHBondContact CB-OD1 3.29Å; K207-N209 PolarHBondContact O-N 3.15Å; K207-L210 HydrophobicContact CB-CD1 4.48Å; K207-L210 HydrophobicContact CB-CG 4.21Å; K207-L210 PolarHBondContact O-N 2.95Å
208	C	98.8	Very high	98.6	Very high	15 Å²	15	35.1 Å²	35.1	10%	0.101	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.3	-21	-176.6	-60.8	0	0	0	0	114.7	N115 W116 C195 D206	N115-C208 WeakPolarHBondContact CB-O 3.27Å; W116-C208 HydrophobicContact CB-CB 4.26Å; W116-C208 PolarHBondContact N-O 3.34Å; C195-C208 HydrophobicContact CB-CB 3.96Å; C195-C208 WeakPolarHBondContact CB-SG 3.4Å; C195-C208 VanDerWaalsContact SG-CA 3.59Å; C195-C208 WeakPolarHBondContact SG-CB 3.14Å; C195-C208 CovalentContact SG-SG 2.03Å; C195-C208 PolarHBondContact SG-SG 3.02Å; D206-C208 PolarHBondContact O-N 3.28Å
209	N	98.7	Very high	98.5	Very high	121 Å²	121	39.6 Å²	39.6	65%	0.647	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83	-10.9	-179.6	68.6	-4.5	0	0	0	114	K207	K207-N209 WeakPolarHBondContact CB-OD1 3.29Å; K207-N209 PolarHBondContact O-N 3.15Å
210	L	98.8	Very high	98.4	Very high	74 Å²	74	39.7 Å²	39.7	39%	0.387	23%	0.234	S	C	.	.	S	Bend	trans	-72.1	138	178.5	-66.7	-177.2	0	0	0	111.6	N115 W154 D206 K207 K212	N115-L210 WeakPolarHBondContact CA-O 2.99Å; W154-L210 HydrophobicContact CZ2-CB 4.37Å; W154-L210 WeakPolarHBondContact CZ2-O 3.45Å; W154-L210 PolarHBondContact NE1-O 3.04Å; D206-L210 WeakPolarHBondContact OD1-CD1 3.43Å; K207-L210 HydrophobicContact CB-CD1 4.48Å; K207-L210 HydrophobicContact CB-CG 4.21Å; K207-L210 PolarHBondContact O-N 2.95Å; L210-K212 PolarHBondContact O-N 3.03Å
211	A	98.8	Very high	98.2	Very high	60 Å²	60	40.4 Å²	40.4	50%	0.496	24%	0.235	S	C	.	.			trans	-76.5	119.1	174	0	0	0	0	0	110.1	Q113 R114	Q113-A211 HydrophobicContact CB-CB 4.06Å; Q113-A211 PolarHBondContact OE1-O 2.96Å; R114-A211 WeakPolarHBondContact O-CA 3.42Å
212	K	98.9	Very high	97.6	Very high	13 Å²	13	38.7 Å²	38.7	6%	0.057	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-135.6	167.5	174.8	-55	-176.7	-177.3	-90	0	110.4	Q113 R114 F152 W154 E197 D206 L210	Q113-K212 CarbonylContact C-O 3.59Å; Q113-K212 WeakPolarHBondContact CA-O 3.26Å; R114-K212 PolarHBondContact N-O 2.87Å; R114-K212 PolarHBondContact O-N 3.31Å; R114-K212 VanDerWaalsContact O-O 3.12Å; F152-K212 HydrophobicContact CB-CD 4.25Å; W154-K212 HydrophobicContact CD2-CB 4.23Å; W154-K212 HydrophobicContact CD2-CD 3.84Å; W154-K212 HydrophobicContact CD2-CG 4.38Å; W154-K212 HydrophobicContact CE3-CD 4Å; W154-K212 HydrophobicContact CG-CB 4.22Å; W154-K212 HydrophobicContact CH2-CD 3.64Å; W154-K212 HydrophobicContact CH2-CG 4.48Å; W154-K212 HydrophobicContact CZ2-CB 4.43Å; W154-K212 HydrophobicContact CZ2-CD 3.46Å; W154-K212 VanDerWaalsContact CZ2-CD 3.46Å; W154-K212 HydrophobicContact CZ2-CG 3.82Å; W154-K212 HydrophobicContact CZ3-CD 3.89Å; E197-K212 HydrophobicContact CB-CD 4.25Å; E197-K212 IonicContact OE1-NZ 3.82Å; E197-K212 PolarHBondContact OE1-NZ 2.77Å; E197-K212 WeakPolarHBondContact OE2-CD 3.07Å; E197-K212 WeakPolarHBondContact OE2-CE 3.18Å; E197-K212 IonicContact OE2-NZ 2.65Å; E197-K212 PolarHBondContact OE2-NZ 3.09Å; D206-K212 WeakPolarHBondContact OD2-CE 3.04Å; D206-K212 IonicContact OD2-NZ 2.74Å; D206-K212 PolarHBondContact OD2-NZ 3.03Å; L210-K212 PolarHBondContact O-N 3.03Å
213	F	98.9	Very high	96.5	Very high	30 Å²	30	41.5 Å²	41.5	13%	0.132	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	163	168.2	-64.7	-86.3	0	0	0	109.2	S110 S112 Q113 R151 F152 T153 W154	S110-F213 VanDerWaalsContact O-CD1 3.3Å; S110-F213 WeakPolarHBondContact O-CD1 3.26Å; S110-F213 WeakPolarHBondContact OG-CA 3.04Å; S110-F213 WeakPolarHBondContact OG-CB 3.48Å; S112-F213 WeakPolarHBondContact O-CD1 3.39Å; Q113-F213 HydrophobicContact CG-CD1 4.17Å; Q113-F213 HydrophobicContact CG-CD2 3.86Å; Q113-F213 HydrophobicContact CG-CE1 4.1Å; Q113-F213 HydrophobicContact CG-CE2 3.76Å; Q113-F213 HydrophobicContact CG-CG 4.07Å; Q113-F213 HydrophobicContact CG-CZ 3.9Å; R151-F213 HydrophobicContact CB-CD2 3.65Å; R151-F213 HydrophobicContact CB-CE2 4.09Å; R151-F213 HydrophobicContact CB-CG 4.19Å; R151-F213 HydrophobicContact CG-CD2 3.64Å; R151-F213 HydrophobicContact CG-CE2 3.58Å; R151-F213 HydrophobicContact CG-CG 4.22Å; R151-F213 HydrophobicContact CG-CZ 4.1Å; F152-F213 PolarHBondContact O-N 2.88Å; F152-F213 VanDerWaalsContact O-N 3.16Å; T153-F213 CarbonylContact C-O 3.56Å; T153-F213 VanDerWaalsContact CA-O 3.26Å; T153-F213 WeakPolarHBondContact CA-O 3.33Å; T153-F213 HydrophobicContact CG2-CB 4.2Å; W154-F213 PolarHBondContact N-O 3.15Å
214	W	98.9	Very high	95	Very high	11 Å²	11	45.6 Å²	45.6	4%	0.042	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	161	174.7	73.1	94.4	0	0	0	111.6	F108 S110 S112 R114 A122 C123 L130 W154 C216	F108-W214 HydrophobicContact CE1-CZ2 4.24Å; S110-W214 VanDerWaalsContact CB-CD2 3.43Å; S110-W214 VanDerWaalsContact CB-CE3 3.45Å; S110-W214 WeakPolarHBondContact CB-O 3.45Å; S110-W214 PolarHBondContact N-O 3.37Å; S110-W214 PolarHBondContact OG-N 2.9Å; S110-W214 PolarHBondContact OG-O 3.42Å; S110-W214 VanDerWaalsContact OG-O 3.08Å; S112-W214 WeakPolarHBondContact O-CZ3 3.37Å; S112-W214 WeakPolarHBondContact OG-CH2 3.15Å; S112-W214 WeakPolarHBondContact OG-CZ3 3.22Å; R114-W214 HydrophobicContact CB-CE3 4.01Å; R114-W214 HydrophobicContact CB-CZ3 3.91Å; R114-W214 HydrophobicContact CG-CE3 4.21Å; R114-W214 HydrophobicContact CG-CH2 4.04Å; R114-W214 HydrophobicContact CG-CZ3 3.6Å; A122-W214 HydrophobicContact CB-CZ2 3.75Å; C123-W214 VanDerWaalsContact SG-CD1 3.51Å; L130-W214 HydrophobicContact CD1-CB 3.79Å; L130-W214 HydrophobicContact CD1-CG 4.4Å; W154-W214 HydrophobicContact CB-CB 4.16Å; W214-C216 PolarHBondContact NE1-SG 2.86Å
215	I	98.9	Very high	93.3	Very high	1 Å²	1	51.8 Å²	51.8	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	122.3	174.7	-64.4	166.3	0	0	0	110	Y107 F108 M109 V131 L142 T153 W154 F198	Y107-I215 HydrophobicContact CD1-CG2 4.14Å; F108-I215 VanDerWaalsContact O-CA 3.27Å; F108-I215 WeakPolarHBondContact O-CA 3.49Å; M109-I215 HydrophobicContact CE-CD1 4.44Å; M109-I215 HydrophobicContact CE-CG2 4.31Å; M109-I215 HydrophobicContact CG-CG1 4.2Å; V131-I215 HydrophobicContact CB-CB 4.27Å; V131-I215 HydrophobicContact CB-CG2 3.98Å; V131-I215 WeakPolarHBondContact CB-O 3.18Å; V131-I215 HydrophobicContact CG1-CB 3.83Å; V131-I215 HydrophobicContact CG1-CG2 4Å; V131-I215 HydrophobicContact CG2-CG2 4.45Å; V131-I215 PolarHBondContact N-O 3.33Å; L142-I215 HydrophobicContact CD2-CD1 4.27Å; L142-I215 HydrophobicContact CD2-CG2 4.27Å; T153-I215 HydrophobicContact CG2-CD1 3.73Å; T153-I215 HydrophobicContact CG2-CG1 3.59Å; W154-I215 PolarHBondContact O-N 3.3Å; F198-I215 HydrophobicContact CD2-CD1 4.36Å; F198-I215 HydrophobicContact CE2-CD1 4.1Å
216	C	98.9	Very high	91.1	Very high	1 Å²	1	57.2 Å²	57.2	1%	0.007	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	149.1	168.5	-51.4	0	0	0	0	111.1	W99 Y107 F108 C123 A128 Q129 W214	W99-C216 HydrophobicContact CH2-CB 4.12Å; W99-C216 HydrophobicContact CZ3-CB 4.38Å; Y107-C216 CarbonylContact C-O 3.49Å; Y107-C216 WeakPolarHBondContact CA-O 3.25Å; F108-C216 HydrophobicContact CB-CB 4.09Å; F108-C216 PolarHBondContact N-O 2.86Å; F108-C216 PolarHBondContact O-N 3.32Å; C123-C216 WeakPolarHBondContact CA-SG 3.4Å; C123-C216 HydrophobicContact CB-CB 3.71Å; C123-C216 WeakPolarHBondContact CB-SG 3.43Å; C123-C216 WeakPolarHBondContact SG-CA 3.39Å; C123-C216 WeakPolarHBondContact SG-CB 3.05Å; C123-C216 CovalentContact SG-SG 2.04Å; C123-C216 PolarHBondContact SG-SG 2.87Å; A128-C216 HydrophobicContact CB-CB 3.85Å; Q129-C216 CarbonylContact O-C 3.53Å; Q129-C216 VanDerWaalsContact O-CA 3.29Å; Q129-C216 WeakPolarHBondContact O-CA 3.29Å; W214-C216 PolarHBondContact NE1-SG 2.86Å
217	K	98.9	Very high	89.1	Confident	29 Å²	29	60.9 Å²	60.9	13%	0.126	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	136.9	175.2	176.5	-178.2	176.8	175.4	0	110.6	N105 C106 Y107 A128 Q129 V131 V132 E138	N105-K217 HydrophobicContact CB-CG 4.31Å; C106-K217 WeakPolarHBondContact O-CA 3.33Å; Y107-K217 HydrophobicContact CD1-CB 4.13Å; Y107-K217 HydrophobicContact CD1-CG 4.26Å; Y107-K217 HydrophobicContact CE1-CB 4.08Å; Y107-K217 HydrophobicContact CE1-CD 3.79Å; Y107-K217 HydrophobicContact CE1-CG 3.79Å; A128-K217 WeakPolarHBondContact CB-O 3.39Å; Q129-K217 PolarHBondContact N-O 3.39Å; Q129-K217 PolarHBondContact O-N 3.29Å; V131-K217 HydrophobicContact CB-CB 4.24Å; V131-K217 HydrophobicContact CG2-CB 3.99Å; V131-K217 HydrophobicContact CG2-CD 4.04Å; V132-K217 PolarHBondContact O-NZ 2.89Å; E138-K217 WeakPolarHBondContact OE1-CD 3.25Å; E138-K217 VanDerWaalsContact OE1-CE 3.29Å; E138-K217 WeakPolarHBondContact OE1-CE 3.31Å; E138-K217 IonicContact OE1-NZ 3.19Å; E138-K217 PolarHBondContact OE1-NZ 3.29Å; E138-K217 IonicContact OE2-NZ 3.02Å; E138-K217 PolarHBondContact OE2-NZ 2.99Å
218	K	98.6	Very high	86.9	Confident	57 Å²	57	65.8 Å²	65.8	25%	0.248	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.9	159.8	165.9	64.9	-177.1	170.5	-172.6	0	111.1	W99 N105 C106 V126 A128	W99-K218 HydrophobicContact CE3-CG 4.31Å; W99-K218 HydrophobicContact CH2-CD 4Å; W99-K218 HydrophobicContact CH2-CG 4.22Å; W99-K218 HydrophobicContact CZ3-CD 3.96Å; W99-K218 HydrophobicContact CZ3-CG 3.7Å; N105-K218 CarbonylContact C-O 3.38Å; N105-K218 WeakPolarHBondContact CA-O 3.26Å; C106-K218 HydrophobicContact CB-CG 4.26Å; C106-K218 PolarHBondContact N-O 2.78Å; C106-K218 PolarHBondContact O-N 3.4Å; V126-K218 PolarHBondContact O-NZ 3.21Å; V126-K218 VanDerWaalsContact O-NZ 3.15Å; A128-K218 HydrophobicContact CB-CB 3.97Å; A128-K218 HydrophobicContact CB-CD 4.28Å; A128-K218 HydrophobicContact CB-CG 4.38Å
219	S	97.9	Very high	84.8	Confident	95 Å²	95	72 Å²	72	66%	0.664	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.2	142.6	175.1	-56.1	0	0	0	0	111.2
220	A	96.6	Very high	82.6	Confident	25 Å²	25	75 Å²	75	21%	0.207	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-70.1	148.8	174	0	0	0	0	0	110.7	P94 F101 G104 C106	P94-A220 HydrophobicContact CB-CB 4.04Å; P94-A220 CarbonylContact O-C 3.51Å; P94-A220 WeakPolarHBondContact O-CA 3.11Å; P94-A220 WeakPolarHBondContact O-CB 3.42Å; F101-A220 HydrophobicContact CD2-CB 3.9Å; F101-A220 HydrophobicContact CE2-CB 3.67Å; G104-A220 WeakPolarHBondContact O-CB 3.28Å; G104-A220 PolarHBondContact O-N 3.43Å; C106-A220 VanDerWaalsContact SG-CA 3.57Å
221	A	91.4	Very high	80.4	Confident	60 Å²	60	78.5 Å²	78.5	50%	0.496	43%	0.425	S	S	.	.	P	Polyproline II helix	trans	-69	138.5	172.9	0	0	0	0	0	110.2	P94 C223	P94-A221 PolarHBondContact O-N 3.21Å; A221-C223 PolarHBondContact O-N 2.87Å
222	S	84.5	Confident	78.3	Confident	99 Å²	99	80 Å²	80	69%	0.692	43%	0.432	S	S	*	.			trans	-76.3	109.2	171.3	54.7	0	0	0	0	109.6	S224	S222-S224 PolarHBondContact O-N 2.81Å; S222-S224 VanDerWaalsContact O-N 3.07Å
223	C	74.9	Confident	76.5	Confident	62 Å²	62	85.2 Å²	85.2	42%	0.419	47%	0.467	S	S	.	.			trans	-81.8	45.1	170	-66	0	0	0	0	111.6	C92 A221	C92-C223 HydrophobicContact CB-CB 3.76Å; C92-C223 WeakPolarHBondContact CB-SG 3.42Å; C92-C223 PolarHBondContact O-SG 3.41Å; C92-C223 VanDerWaalsContact O-SG 3.41Å; C92-C223 WeakPolarHBondContact SG-CA 3.37Å; C92-C223 WeakPolarHBondContact SG-CB 3.28Å; C92-C223 CovalentContact SG-SG 2.04Å; C92-C223 PolarHBondContact SG-SG 3.19Å; A221-C223 PolarHBondContact O-N 2.87Å
224	S	67.8	Low	74.8	Confident	86 Å²	86	88 Å²	88	60%	0.601	50%	0.495	S	S	*	.			trans	-94.2	135.2	178.9	44.4	0	0	0	0	111.1	S222 D226	S222-S224 PolarHBondContact O-N 2.81Å; S222-S224 VanDerWaalsContact O-N 3.07Å; S224-D226 PolarHBondContact O-N 2.7Å
225	R	62.4	Low	73.1	Confident	150 Å²	150	93.2 Å²	93.2	57%	0.566	53%	0.531	S	S	*	.			trans	-65.6	122.5	176	-57.5	176.9	-173.5	156.8	4.5	109.9	E89 E227	E89-R225 IonicContact OE1-CZ 3.96Å; E89-R225 VanDerWaalsContact OE1-CZ 3.25Å; E89-R225 IonicContact OE1-NE 3.25Å; E89-R225 PolarHBondContact OE1-NE 2.83Å; E89-R225 IonicContact OE1-NH2 2.68Å; E89-R225 PolarHBondContact OE1-NH2 3.05Å; E89-R225 IonicContact OE2-CZ 3.58Å; E89-R225 IonicContact OE2-NE 3.84Å; E89-R225 IonicContact OE2-NH2 3.04Å; E89-R225 PolarHBondContact OE2-NH2 3.05Å; R225-E227 HydrophobicContact CB-CB 4.15Å; R225-E227 WeakPolarHBondContact CD-OE2 3.44Å; R225-E227 IonicContact NE-OE2 2.97Å; R225-E227 IonicContact NH1-OE2 3.76Å; R225-E227 PolarHBondContact O-N 3.49Å
226	D	52.9	Low	71.6	Confident	116 Å²	116	97.8 Å²	97.8	62%	0.62	57%	0.569	S	S	*	*			trans	-73.3	62.6	155.5	-65.6	-39.7	0	0	0	109	S224	S224-D226 PolarHBondContact O-N 2.7Å
227	E	56.1	Low	70.1	Confident	97 Å²	97	103.5 Å²	103.5	45%	0.453	60%	0.604	S	S	.	*			trans	-82.1	-21.1	170.3	-120.3	176.3	154.2	0	0	111.3	K85 R225	K85-E227 IonicContact NZ-OE1 3.3Å; K85-E227 PolarHBondContact NZ-OE1 3.36Å; K85-E227 IonicContact NZ-OE2 2.67Å; K85-E227 PolarHBondContact NZ-OE2 2.89Å; R225-E227 HydrophobicContact CB-CB 4.15Å; R225-E227 WeakPolarHBondContact CD-OE2 3.44Å; R225-E227 IonicContact NE-OE2 2.97Å; R225-E227 IonicContact NH1-OE2 3.76Å; R225-E227 PolarHBondContact O-N 3.49Å
228	E	53.2	Low	68.7	Low	179 Å²	179	108 Å²	108	84%	0.836	64%	0.636	S	S	*	*	S	Bend	trans	-88.1	-16.6	-179.8	-92.6	-179.4	157.7	0	0	114.8
229	Q	53.8	Low	67.5	Low	147 Å²	147	112.5 Å²	112.5	69%	0.687	66%	0.663	S	S	*	*	S	Bend	trans	-84.3	-15.5	-176.7	-144.3	171.1	27	0	0	113.8
230	F	53.6	Low	66.1	Low	184 Å²	184	113.3 Å²	113.3	81%	0.807	67%	0.666	S	S	*	*	S	Bend	trans	-100.6	-5.5	-179.8	-75.3	-78.9	0	0	0	114.9
231	L	53	Low	64.7	Low	147 Å²	147	117.6 Å²	117.6	77%	0.77	69%	0.692	S	S	*	*	S	Bend	trans	-104.3	3.4	178.5	-81.3	162.3	0	0	0	114	P233	L231-P233 VanDerWaalsContact O-CD 3.29Å; L231-P233 WeakPolarHBondContact O-CD 3.1Å
232	S	54.5	Low	63.8	Low	91 Å²	91	120.9 Å²	120.9	64%	0.636	71%	0.708	S	S	*	*	S	Bend	trans	-69.4	118.7	170.6	-71.5	0	0	0	0	109.4	A234	S232-A234 PolarHBondContact O-N 3.23Å
233	P	59.9	Low	63	Low	122 Å²	122	124.6 Å²	124.6	79%	0.792	75%	0.745	S	S	*	*	P	Polyproline II helix	trans	-58.2	132.8	173.1	-17.3	29.5	0	0	0	109	L231	L231-P233 VanDerWaalsContact O-CD 3.29Å; L231-P233 WeakPolarHBondContact O-CD 3.1Å
234	A	64.4	Low	62.4	Low	88 Å²	88	127.8 Å²	127.8	73%	0.727	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-51.8	137.8	171.4	0	0	0	0	0	109.4	S232 A236	S232-A234 PolarHBondContact O-N 3.23Å; A234-A236 PolarHBondContact O-N 3.11Å
235	P	62.2	Low	62.1	Low	122 Å²	122	129.9 Å²	129.9	79%	0.792	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-57.4	126.2	178.5	21	-29.8	0	0	0	109.2	T237	P235-T237 PolarHBondContact O-N 2.94Å
236	A	67.2	Low	62.1	Low	96 Å²	96	128.8 Å²	128.8	79%	0.793	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-56	123.4	179.1	0	0	0	0	0	109.4	A234	A234-A236 PolarHBondContact O-N 3.11Å
237	T	68.6	Low	62.6	Low	122 Å²	122	129.6 Å²	129.6	75%	0.748	79%	0.79	S	S	*	*	P	Polyproline II helix	trans	-61.2	130.7	172.5	48.3	0	0	0	0	109	P235 N239	P235-T237 PolarHBondContact O-N 2.94Å; T237-N239 PolarHBondContact O-N 3.06Å
238	P	70.3	Confident	63	Low	123 Å²	123	131.6 Å²	131.6	80%	0.799	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-64.6	133.8	178.7	23.9	-30.3	0	0	0	110.3
239	N	72.5	Confident	63.7	Low	151 Å²	151	128.5 Å²	128.5	81%	0.807	81%	0.809	S	S	*	*	P	Polyproline II helix	trans	-60.3	140.4	177	-72.5	-39.2	0	0	0	110.4	T237	T237-N239 PolarHBondContact O-N 3.06Å
240	P	68.1	Low	64.4	Low	112 Å²	112	127.1 Å²	127.1	73%	0.727	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-64.5	146.3	174.3	26.8	-32.1	0	0	0	110.4
241	P	67.4	Low	65.2	Low	116 Å²	116	122.8 Å²	122.8	75%	0.753	82%	0.819	S	S	*	*	P	Polyproline II helix	trans	-65.8	146	-179	26.1	-32.2	0	0	0	111.1
242	P	72.1	Confident	66.3	Low	129 Å²	129	120.8 Å²	120.8	84%	0.838	82%	0.823	S	S	*	*	P	Polyproline II helix	trans	-66.9	144.4	177.6	27.3	-32	0	0	0	111.1
243	A	68.2	Low	67.3	Low	177 Å²	177	123.5 Å²	123.5	100%	1.463	84%	0.84	S	S	*	*			trans	-72.7	0	179.9	0	0	0	0	0	113.2

Retrieved 243 of 243 residues in 45 ms (Link to these results)

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