A0A060WEH3_ONCMY Loading...

Peptidase inhibitor 15

AlphaFold DB , UniProt , Accession A0A060WEH3, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene pi15b, Length 256 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.8	Very low	31.4	Very low	246 Å²	246	162 Å²	162	100%	1.212	86%	0.857	S	S	*	*				0	136.5	0	-78.9	173.4	178.6	0	0	108.4
2	K	28.3	Very low	31	Very low	219 Å²	219	161.7 Å²	161.7	95%	0.952	85%	0.854	S	S	*	*			trans	-8.3	146	166.4	-61.4	170.7	177.2	178.4	0	118.9
3	G	30.1	Very low	30.9	Very low	74 Å²	74	163.4 Å²	163.4	76%	0.763	85%	0.851	S	S	*	*			trans	141.9	88.9	137.6	0	0	0	0	0	115.9
4	M	31.2	Very low	30.8	Very low	186 Å²	186	159.6 Å²	159.6	92%	0.916	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-66.8	142.7	161.7	-89.7	139	60.3	0	0	111
5	C	28.7	Very low	31	Very low	121 Å²	121	158.4 Å²	158.4	82%	0.818	84%	0.835	S	S	*	*	P	Polyproline II helix	trans	-71.8	137.7	175.3	-65.2	0	0	0	0	112.4
6	Y	27.4	Very low	31.2	Very low	221 Å²	221	157.2 Å²	157.2	87%	0.867	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-96.1	140.8	162.6	-83.3	-91.3	0	0	0	109.5
7	F	30.4	Very low	31.4	Very low	199 Å²	199	154.2 Å²	154.2	87%	0.873	83%	0.83	S	S	*	*			trans	-115.6	120.6	160.9	-98	-83.9	0	0	0	109.7
8	T	32.5	Very low	31.4	Very low	119 Å²	119	149.9 Å²	149.9	73%	0.73	83%	0.829	S	S	*	*			trans	-83.1	152	169.1	38.3	0	0	0	0	110.2
9	N	33.3	Very low	31.4	Very low	154 Å²	154	147 Å²	147	82%	0.824	83%	0.826	S	S	*	*			trans	-153.3	106	149.6	-96.7	-36.4	0	0	0	112.1
10	V	35.4	Very low	31.6	Very low	123 Å²	123	145.7 Å²	145.7	75%	0.745	83%	0.827	S	S	*	*			trans	47.8	101.5	130.6	-168.8	0	0	0	0	120.2
11	V	34.2	Very low	31.5	Very low	120 Å²	120	142.4 Å²	142.4	73%	0.727	83%	0.825	S	S	*	*				24.7	126	123.7	-171.5	0	0	0	0	119.9
12	L	27.2	Very low	31.4	Very low	158 Å²	158	141.8 Å²	141.8	83%	0.827	81%	0.809	S	S	*	*				-150.9	112.5	127.9	-152.6	76.1	0	0	0	110.9
13	F	29.3	Very low	31.6	Very low	184 Å²	184	139.7 Å²	139.7	81%	0.807	81%	0.808	S	S	*	*			trans	-94.9	128.7	165.4	-100.8	-88.7	0	0	0	108.2
14	C	29.7	Very low	31.6	Very low	110 Å²	110	142.9 Å²	142.9	74%	0.743	81%	0.806	S	S	*	*			trans	-126.6	117.1	158.5	-71.3	0	0	0	0	108.6
15	I	33.4	Very low	31.6	Very low	142 Å²	142	142.5 Å²	142.5	73%	0.728	80%	0.801	S	S	*	*			trans	-92.2	129.6	168.6	-61.7	171.5	0	0	0	106.4
16	V	34.4	Very low	31.7	Very low	139 Å²	139	142.9 Å²	142.9	84%	0.842	80%	0.795	S	S	*	*			trans	-127	123.9	160.7	-176.2	0	0	0	0	108.6
17	S	34.8	Very low	32	Very low	106 Å²	106	136.9 Å²	136.9	74%	0.741	79%	0.786	S	S	*	*			trans	-85.8	147	179.8	-34.5	0	0	0	0	110.9
18	G	31.4	Very low	32.2	Very low	78 Å²	78	133.1 Å²	133.1	80%	0.804	78%	0.779	S	S	*	*			trans	126.8	99.5	144.9	0	0	0	0	0	119.1
19	A	31.8	Very low	32.2	Very low	94 Å²	94	134.8 Å²	134.8	78%	0.777	78%	0.784	S	S	*	*			trans	63.1	109	136.3	0	0	0	0	0	122.9
20	S	34.3	Very low	32.2	Very low	121 Å²	121	133.4 Å²	133.4	85%	0.846	79%	0.786	S	S	*	*				67.6	109.7	120.2	-49.2	0	0	0	0	121
21	G	31	Very low	32.2	Very low	76 Å²	76	132 Å²	132	78%	0.784	79%	0.788	S	S	*	*			trans	-160.8	98.8	154	0	0	0	0	0	109.8
22	W	30.6	Very low	32.4	Very low	233 Å²	233	131.5 Å²	131.5	88%	0.883	79%	0.789	S	S	*	*			trans	-72.8	122.5	174.7	-73.4	79.8	0	0	0	109.7
23	L	32.5	Very low	33	Very low	176 Å²	176	131.5 Å²	131.5	92%	0.921	79%	0.789	S	S	*	*			trans	-127.3	113.5	154.2	-78.1	173.9	0	0	0	108.4
24	I	31.1	Very low	33.8	Very low	140 Å²	140	127.1 Å²	127.1	72%	0.718	79%	0.786	S	S	*	*			trans	-80.4	117.8	179.1	-45	171.4	0	0	0	105.9
25	H	30.5	Very low	34.3	Very low	178 Å²	178	127.4 Å²	127.4	82%	0.824	78%	0.78	S	S	*	*			trans	-121.2	100.6	154.9	-134.3	-78	0	0	0	107.8
26	N	29.7	Very low	34.9	Very low	129 Å²	129	128.9 Å²	128.9	69%	0.69	78%	0.782	S	S	*	*			trans	-79.8	117.2	173.9	-166.6	16.2	0	0	0	107.6
27	S	34	Very low	35.8	Very low	95 Å²	95	127.1 Å²	127.1	66%	0.664	77%	0.771	S	S	*	*			trans	-141.2	100.7	161.5	-59.5	0	0	0	0	106.1	D29	S27-D29 PolarHBondContact O-N 2.99Å; S27-D29 VanDerWaalsContact O-N 3.13Å
28	T	35.2	Very low	36.5	Very low	120 Å²	120	127.4 Å²	127.4	74%	0.736	77%	0.765	S	S	*	*			trans	-62.1	101.8	171.7	36.3	0	0	0	0	109.4
29	D	33	Very low	37.5	Very low	155 Å²	155	130.5 Å²	130.5	83%	0.829	76%	0.76	S	S	*	*			trans	-116.9	114.1	155.3	-88.9	-30.8	0	0	0	108.6	S27 A31	S27-D29 PolarHBondContact O-N 2.99Å; S27-D29 VanDerWaalsContact O-N 3.13Å; D29-A31 PolarHBondContact O-N 3.04Å; D29-A31 VanDerWaalsContact O-N 3.08Å
30	S	33	Very low	38.5	Very low	124 Å²	124	129.9 Å²	129.9	87%	0.867	74%	0.744	S	S	*	*			trans	-69.8	98.9	175.2	-62.4	0	0	0	0	108.6	S32	S30-S32 PolarHBondContact O-N 2.74Å; S30-S32 VanDerWaalsContact O-N 3.08Å
31	A	35.6	Very low	39.6	Very low	95 Å²	95	127 Å²	127	79%	0.785	72%	0.724	S	S	*	*			trans	-67	104.9	171.2	0	0	0	0	0	109.3	D29 I33	D29-A31 PolarHBondContact O-N 3.04Å; D29-A31 VanDerWaalsContact O-N 3.08Å; A31-I33 PolarHBondContact O-N 3.35Å
32	S	37.4	Very low	40.9	Very low	108 Å²	108	126.7 Å²	126.7	76%	0.755	71%	0.707	S	S	*	*			trans	-61.5	124.4	166.2	54.6	0	0	0	0	109.3	S30 A34	S30-S32 PolarHBondContact O-N 2.74Å; S30-S32 VanDerWaalsContact O-N 3.08Å; S32-A34 PolarHBondContact O-N 3.11Å
33	I	41.2	Very low	42.1	Very low	159 Å²	159	120 Å²	120	82%	0.815	69%	0.687	S	S	*	*			trans	-62.9	98	170.9	-60	170.6	0	0	0	107.6	A31 N35	A31-I33 PolarHBondContact O-N 3.35Å; I33-N35 PolarHBondContact O-N 3.02Å
34	A	45.3	Very low	43.2	Very low	91 Å²	91	116.5 Å²	116.5	75%	0.752	67%	0.67	S	S	*	*			trans	-72.8	122.7	169.9	0	0	0	0	0	108.8	S32 F36	S32-A34 PolarHBondContact O-N 3.11Å; A34-F36 PolarHBondContact O-N 2.91Å
35	N	41.3	Very low	44.5	Very low	117 Å²	117	112.9 Å²	112.9	63%	0.626	66%	0.661	S	S	*	*			trans	-56.8	124.6	-177.3	-89.2	-25.9	0	0	0	112.4	I33 T37 D38	I33-N35 PolarHBondContact O-N 3.02Å; N35-T37 PolarHBondContact O-N 3.28Å; N35-D38 PolarHBondContact O-N 2.64Å
36	F	45.8	Very low	45.7	Very low	172 Å²	172	110.2 Å²	110.2	75%	0.754	65%	0.649	S	S	*	*	H	α-helix	trans	-58.5	-15.5	174.5	-165.6	-97.9	0	0	0	113.9	A34	A34-F36 PolarHBondContact O-N 2.91Å
37	T	52.1	Low	47	Very low	102 Å²	102	107.6 Å²	107.6	63%	0.626	64%	0.637	S	S	*	*	H	α-helix	trans	-72.7	-27.1	178.3	46.7	0	0	0	0	113.5	N35 S41	N35-T37 PolarHBondContact O-N 3.28Å; T37-S41 PolarHBondContact O-N 2.83Å
38	D	50.5	Low	48.3	Very low	113 Å²	113	107 Å²	107	60%	0.604	63%	0.633	S	S	*	*	H	α-helix	trans	-75.6	-40.6	-173.8	-123.5	-8.3	0	0	0	112	N35 N40 S41 T42	N35-D38 PolarHBondContact O-N 2.64Å; D38-N40 VanDerWaalsContact C-N 3.32Å; D38-N40 PolarHBondContact O-N 3.41Å; D38-S41 WeakPolarHBondContact O-CB 3.28Å; D38-S41 PolarHBondContact O-N 2.97Å; D38-S41 VanDerWaalsContact O-N 3.1Å; D38-S41 PolarHBondContact O-OG 3.28Å; D38-T42 PolarHBondContact O-N 3.27Å; D38-T42 VanDerWaalsContact O-N 3.16Å; D38-T42 PolarHBondContact O-OG1 2.96Å
39	M	50.7	Low	49.4	Very low	143 Å²	143	105.3 Å²	105.3	70%	0.704	63%	0.631	S	S	*	*	H	α-helix	trans	-62.1	-35.8	176.6	-78.9	-80.1	-82.1	0	0	112.9	T42 L43	M39-T42 WeakPolarHBondContact CA-OG1 3.38Å; M39-T42 PolarHBondContact O-OG1 2.94Å; M39-L43 VanDerWaalsContact O-CB 3.26Å; M39-L43 WeakPolarHBondContact O-CB 3.33Å; M39-L43 PolarHBondContact O-N 2.8Å
40	N	54	Low	50.5	Low	81 Å²	81	104.7 Å²	104.7	43%	0.433	63%	0.627	S	S	.	*	H	α-helix	trans	-70.6	-31.6	175.5	-88.6	-9.7	0	0	0	112.3	D38 N44	D38-N40 VanDerWaalsContact C-N 3.32Å; D38-N40 PolarHBondContact O-N 3.41Å; N40-N44 VanDerWaalsContact O-CB 3.25Å; N40-N44 WeakPolarHBondContact O-CB 3.39Å; N40-N44 PolarHBondContact O-N 2.74Å; N40-N44 PolarHBondContact O-ND2 3.17Å
41	S	56.7	Low	51.8	Low	61 Å²	61	104 Å²	104	43%	0.427	61%	0.612	S	S	.	*	H	α-helix	trans	-70.4	-42.9	177.7	87.9	0	0	0	0	111.2	T37 D38 N44 A45	T37-S41 PolarHBondContact O-N 2.83Å; D38-S41 WeakPolarHBondContact O-CB 3.28Å; D38-S41 PolarHBondContact O-N 2.97Å; D38-S41 VanDerWaalsContact O-N 3.1Å; D38-S41 PolarHBondContact O-OG 3.28Å; S41-N44 PolarHBondContact O-N 3.13Å; S41-A45 WeakPolarHBondContact O-CB 3.28Å; S41-A45 PolarHBondContact O-N 3.36Å
42	T	57.9	Low	52.4	Low	69 Å²	69	104.8 Å²	104.8	42%	0.423	61%	0.61	S	S	.	*	H	α-helix	trans	-69.9	-38.5	178	45.1	0	0	0	0	111.9	D38 M39 A45 Q46	D38-T42 PolarHBondContact O-N 3.27Å; D38-T42 VanDerWaalsContact O-N 3.16Å; D38-T42 PolarHBondContact O-OG1 2.96Å; M39-T42 WeakPolarHBondContact CA-OG1 3.38Å; M39-T42 PolarHBondContact O-OG1 2.94Å; T42-A45 PolarHBondContact O-N 3.45Å; T42-Q46 WeakPolarHBondContact O-CB 3.33Å; T42-Q46 VanDerWaalsContact O-CG 3.28Å; T42-Q46 WeakPolarHBondContact O-CG 3.49Å; T42-Q46 PolarHBondContact O-N 2.96Å
43	L	57.3	Low	53.2	Low	92 Å²	92	108.8 Å²	108.8	48%	0.482	61%	0.614	S	S	.	*	H	α-helix	trans	-66.9	-42.7	175.2	-171.1	66.5	0	0	0	111.3	M39 A45 Q46 V47	M39-L43 VanDerWaalsContact O-CB 3.26Å; M39-L43 WeakPolarHBondContact O-CB 3.33Å; M39-L43 PolarHBondContact O-N 2.8Å; L43-A45 VanDerWaalsContact C-N 3.34Å; L43-A45 PolarHBondContact O-N 3.49Å; L43-Q46 PolarHBondContact O-N 3.25Å; L43-V47 HydrophobicContact CG-CG2 4.48Å; L43-V47 WeakPolarHBondContact O-CB 3.39Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 2.82Å
44	N	55.9	Low	54.1	Low	103 Å²	103	106 Å²	106	55%	0.551	61%	0.608	S	S	*	*	H	α-helix	trans	-66	-34.6	176	-77.5	-24.3	0	0	0	113	N40 S41 S48	N40-N44 VanDerWaalsContact O-CB 3.25Å; N40-N44 WeakPolarHBondContact O-CB 3.39Å; N40-N44 PolarHBondContact O-N 2.74Å; N40-N44 PolarHBondContact O-ND2 3.17Å; S41-N44 PolarHBondContact O-N 3.13Å; N44-S48 WeakPolarHBondContact O-CB 3.11Å; N44-S48 PolarHBondContact O-N 3.2Å; N44-S48 PolarHBondContact O-OG 3.4Å
45	A	57	Low	54.8	Low	64 Å²	64	113.3 Å²	113.3	53%	0.529	62%	0.616	S	S	.	*	H	α-helix	trans	-68	-42	173.7	0	0	0	0	0	111.7	S41 T42 L43 S48 A49	S41-A45 WeakPolarHBondContact O-CB 3.28Å; S41-A45 PolarHBondContact O-N 3.36Å; T42-A45 PolarHBondContact O-N 3.45Å; L43-A45 VanDerWaalsContact C-N 3.34Å; L43-A45 PolarHBondContact O-N 3.49Å; A45-S48 PolarHBondContact O-N 3.08Å; A45-A49 PolarHBondContact O-N 3.04Å; A45-A49 VanDerWaalsContact O-N 3.08Å
46	Q	56.4	Low	55.8	Low	122 Å²	122	115.9 Å²	115.9	57%	0.57	62%	0.617	S	S	*	*	H	α-helix	trans	-68	-40.9	176.2	-74.8	177.3	-14.1	0	0	112.2	T42 L43 S48 A49 L50	T42-Q46 WeakPolarHBondContact O-CB 3.33Å; T42-Q46 VanDerWaalsContact O-CG 3.28Å; T42-Q46 WeakPolarHBondContact O-CG 3.49Å; T42-Q46 PolarHBondContact O-N 2.96Å; L43-Q46 PolarHBondContact O-N 3.25Å; Q46-S48 VanDerWaalsContact C-N 3.32Å; Q46-S48 PolarHBondContact O-N 3.41Å; Q46-A49 PolarHBondContact O-N 2.88Å; Q46-L50 VanDerWaalsContact O-CG 3.31Å; Q46-L50 WeakPolarHBondContact O-CG 3.2Å; Q46-L50 PolarHBondContact O-N 3.13Å; Q46-L50 VanDerWaalsContact O-N 3.09Å
47	V	57.7	Low	57	Low	73 Å²	73	116.6 Å²	116.6	44%	0.442	62%	0.62	S	S	.	*	H	α-helix	trans	-63.9	-37.8	174.4	172.3	0	0	0	0	111.2	L43 A49 L50 I51	L43-V47 HydrophobicContact CG-CG2 4.48Å; L43-V47 WeakPolarHBondContact O-CB 3.39Å; L43-V47 WeakPolarHBondContact O-CG2 3.31Å; L43-V47 PolarHBondContact O-N 2.82Å; V47-A49 VanDerWaalsContact C-N 3.31Å; V47-A49 PolarHBondContact O-N 2.66Å; V47-L50 PolarHBondContact O-N 3.48Å; V47-I51 WeakPolarHBondContact O-CG1 3.48Å; V47-I51 PolarHBondContact O-N 3.38Å
48	S	60.5	Low	58	Low	82 Å²	82	117.4 Å²	117.4	57%	0.573	61%	0.611	S	S	*	*	H	α-helix	trans	-68.9	-27.2	175.1	-65.2	0	0	0	0	113.6	N44 A45 Q46	N44-S48 WeakPolarHBondContact O-CB 3.11Å; N44-S48 PolarHBondContact O-N 3.2Å; N44-S48 PolarHBondContact O-OG 3.4Å; A45-S48 PolarHBondContact O-N 3.08Å; Q46-S48 VanDerWaalsContact C-N 3.32Å; Q46-S48 PolarHBondContact O-N 3.41Å
49	A	58.8	Low	59.5	Low	85 Å²	85	117.3 Å²	117.3	70%	0.702	60%	0.603	S	S	*	*	H	α-helix	trans	-81.3	-24.1	176.9	0	0	0	0	0	113.2	A45 Q46 V47	A45-A49 PolarHBondContact O-N 3.04Å; A45-A49 VanDerWaalsContact O-N 3.08Å; Q46-A49 PolarHBondContact O-N 2.88Å; V47-A49 VanDerWaalsContact C-N 3.31Å; V47-A49 PolarHBondContact O-N 2.66Å
50	L	56	Low	61.6	Low	143 Å²	143	111 Å²	111	75%	0.749	57%	0.572	S	S	*	*	H	α-helix	trans	-90.9	-10.1	-178.2	-71.8	166.6	0	0	0	114.2	Q46 V47 P52	Q46-L50 VanDerWaalsContact O-CG 3.31Å; Q46-L50 WeakPolarHBondContact O-CG 3.2Å; Q46-L50 PolarHBondContact O-N 3.13Å; Q46-L50 VanDerWaalsContact O-N 3.09Å; V47-L50 PolarHBondContact O-N 3.48Å; L50-P52 VanDerWaalsContact O-CD 3.31Å; L50-P52 WeakPolarHBondContact O-CD 3.4Å
51	I	58.8	Low	63.5	Low	108 Å²	108	109.4 Å²	109.4	55%	0.554	57%	0.567	S	S	*	*	S	Bend	trans	-80.2	114.7	171.7	-64.4	164.9	0	0	0	107.7	V47 K53	V47-I51 WeakPolarHBondContact O-CG1 3.48Å; V47-I51 PolarHBondContact O-N 3.38Å; I51-K53 PolarHBondContact O-N 2.95Å
52	P	49.4	Very low	65.3	Low	112 Å²	112	110.7 Å²	110.7	73%	0.727	57%	0.566	S	S	*	*			trans	-59	115.6	172	-6.3	16.7	0	0	0	107.6	L50 S54	L50-P52 VanDerWaalsContact O-CD 3.31Å; L50-P52 WeakPolarHBondContact O-CD 3.4Å; P52-S54 PolarHBondContact O-N 2.62Å
53	K	54.3	Low	67.1	Low	193 Å²	193	111.2 Å²	111.2	84%	0.839	57%	0.573	S	S	*	*			trans	-69.9	69.8	166.2	-70.6	-177.7	-177.3	175.3	0	108.3	I51 R55	I51-K53 PolarHBondContact O-N 2.95Å; K53-R55 PolarHBondContact O-N 2.76Å
54	S	58.7	Low	69	Low	100 Å²	100	107.8 Å²	107.8	70%	0.699	56%	0.555	S	S	*	*			trans	-54.1	106.9	160.1	164.1	0	0	0	0	106.2	P52 R56	P52-S54 PolarHBondContact O-N 2.62Å; S54-R56 PolarHBondContact O-N 2.79Å
55	R	61	Low	71	Confident	245 Å²	245	103.3 Å²	103.3	93%	0.925	53%	0.531	S	S	*	.			trans	-63.4	92	166.9	-81.8	-172.7	-176.5	-177.8	2	106.1	K53 K57	K53-R55 PolarHBondContact O-N 2.76Å; R55-K57 PolarHBondContact O-N 2.86Å; R55-K57 VanDerWaalsContact O-N 3.13Å
56	R	63.2	Low	73	Confident	171 Å²	171	104.2 Å²	104.2	65%	0.645	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-55.3	121	173.3	-174.5	175.4	173.2	161.4	0	107.5	S54 R58 E100	S54-R56 PolarHBondContact O-N 2.79Å; R56-R58 PolarHBondContact O-N 3.22Å; R56-R58 VanDerWaalsContact O-N 3.17Å; R56-E100 IonicContact CZ-OE1 3.78Å; R56-E100 IonicContact NE-OE1 2.94Å; R56-E100 PolarHBondContact NE-OE1 2.86Å; R56-E100 IonicContact NH2-OE1 3.95Å; R56-E100 PolarHBondContact NH2-OE1 3.25Å
57	K	69.7	Low	75	Confident	186 Å²	186	99.8 Å²	99.8	81%	0.809	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-62.3	117	178.1	-173	176.8	179.4	-178.4	0	108	R55	R55-K57 PolarHBondContact O-N 2.86Å; R55-K57 VanDerWaalsContact O-N 3.13Å
58	R	73.4	Confident	76.9	Confident	120 Å²	120	96.3 Å²	96.3	45%	0.453	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-65.5	140.5	175.6	-68.6	176.6	174.1	-179	-12.3	109.4	R56 I60 Q62 E93	R56-R58 PolarHBondContact O-N 3.22Å; R56-R58 VanDerWaalsContact O-N 3.17Å; R58-I60 WeakPolarHBondContact CB-O 3.27Å; R58-I60 PolarHBondContact O-N 2.9Å; R58-Q62 VanDerWaalsContact NH1-OE1 3.12Å; R58-E93 IonicContact CZ-OE1 2.7Å; R58-E93 VanDerWaalsContact CZ-OE1 3.26Å; R58-E93 IonicContact CZ-OE2 3.89Å; R58-E93 IonicContact NE-OE2 3.5Å; R58-E93 IonicContact NH1-OE1 3.62Å; R58-E93 VanDerWaalsContact NH2-CD 3.31Å; R58-E93 IonicContact NH2-OE1 2.73Å; R58-E93 PolarHBondContact NH2-OE1 3.34Å; R58-E93 IonicContact NH2-OE2 3.53Å
59	W	82.2	Confident	78.8	Confident	111 Å²	111	93.3 Å²	93.3	42%	0.42	47%	0.467	S	S	.	.	S	Bend	trans	-82.3	2.6	176.4	-70.3	71.6	0	0	0	113.2	E100 A185 V186 Q187	W59-E100 HydrophobicContact CB-CG 4.12Å; W59-E100 HydrophobicContact CD2-CG 4.35Å; W59-E100 HydrophobicContact CG-CG 3.67Å; W59-E100 PolarHBondContact NE1-OE1 3.4Å; W59-A185 HydrophobicContact CB-CB 4.35Å; W59-V186 WeakPolarHBondContact O-CG1 3.41Å; W59-V186 PolarHBondContact O-N 3.3Å; W59-V186 VanDerWaalsContact O-O 3.05Å; W59-Q187 VanDerWaalsContact CE3-OE1 3.31Å; W59-Q187 VanDerWaalsContact CH2-OE1 3.26Å; W59-Q187 VanDerWaalsContact CZ3-CD 3.41Å
60	I	93.6	Very high	80.7	Confident	11 Å²	11	93.7 Å²	93.7	6%	0.056	46%	0.457	C	S	.	.	S	Bend	trans	-132.4	139.4	168.6	-167.2	166.4	0	0	0	109	R58 D64 I68 W91 C184	R58-I60 WeakPolarHBondContact CB-O 3.27Å; R58-I60 PolarHBondContact O-N 2.9Å; I60-D64 HydrophobicContact CD1-CB 4.03Å; I60-D64 HydrophobicContact CG1-CB 3.64Å; I60-I68 HydrophobicContact CD1-CD1 3.53Å; I60-W91 HydrophobicContact CD1-CH2 4.1Å; I60-W91 HydrophobicContact CG2-CH2 4.31Å; I60-W91 HydrophobicContact CG2-CZ2 4.05Å; I60-C184 HydrophobicContact CD1-CB 4.28Å
61	S	94.7	Very high	82.7	Confident	46 Å²	46	88.2 Å²	88.2	32%	0.322	43%	0.426	S	S	.	.			trans	-72.1	156.4	177.1	73.2	0	0	0	0	110.9	S63 D64 M65	S61-S63 VanDerWaalsContact C-N 3.26Å; S61-S63 PolarHBondContact O-N 3Å; S61-S63 PolarHBondContact OG-OG 3Å; S61-D64 PolarHBondContact O-N 3.42Å; S61-D64 VanDerWaalsContact OG-CB 3.28Å; S61-D64 WeakPolarHBondContact OG-CB 3.49Å; S61-D64 PolarHBondContact OG-N 2.97Å; S61-D64 PolarHBondContact OG-OD2 2.77Å; S61-M65 WeakPolarHBondContact O-CB 3.43Å; S61-M65 PolarHBondContact O-N 3.09Å
62	Q	94.1	Very high	84.6	Confident	88 Å²	88	83 Å²	83	41%	0.411	40%	0.4	S	S	.	.	H	α-helix	trans	-62.1	-36.4	176	-172	61.3	49.7	0	0	111.7	R58 M65 L66	R58-Q62 VanDerWaalsContact NH1-OE1 3.12Å; Q62-M65 PolarHBondContact NE2-SD 3.49Å; Q62-M65 WeakPolarHBondContact O-CB 3.39Å; Q62-L66 HydrophobicContact CG-CD1 4.4Å; Q62-L66 VanDerWaalsContact O-CG 3.31Å; Q62-L66 WeakPolarHBondContact O-CG 3.49Å; Q62-L66 PolarHBondContact O-N 3.08Å; Q62-L66 VanDerWaalsContact O-N 3.08Å
63	S	96.3	Very high	87	Confident	81 Å²	81	78.2 Å²	78.2	57%	0.566	37%	0.368	S	S	*	.	H	α-helix	trans	-65.6	-41.1	175.9	47.6	0	0	0	0	112.2	S61 L66 A67	S61-S63 VanDerWaalsContact C-N 3.26Å; S61-S63 PolarHBondContact O-N 3Å; S61-S63 PolarHBondContact OG-OG 3Å; S63-L66 PolarHBondContact O-N 2.73Å; S63-A67 WeakPolarHBondContact O-CB 3.2Å; S63-A67 PolarHBondContact O-N 3.37Å
64	D	97.9	Very high	89.1	Confident	19 Å²	19	75.6 Å²	75.6	10%	0.102	36%	0.357	C	S	.	.	H	α-helix	trans	-68.8	-41.3	177.8	-68.9	-33.6	0	0	0	111.2	I60 S61 L66 A67 I68 Y130 I133	I60-D64 HydrophobicContact CD1-CB 4.03Å; I60-D64 HydrophobicContact CG1-CB 3.64Å; S61-D64 PolarHBondContact O-N 3.42Å; S61-D64 VanDerWaalsContact OG-CB 3.28Å; S61-D64 WeakPolarHBondContact OG-CB 3.49Å; S61-D64 PolarHBondContact OG-N 2.97Å; S61-D64 PolarHBondContact OG-OD2 2.77Å; D64-L66 PolarHBondContact O-N 2.72Å; D64-A67 PolarHBondContact O-N 2.84Å; D64-I68 VanDerWaalsContact O-CG1 3.27Å; D64-I68 WeakPolarHBondContact O-CG1 3.49Å; D64-I68 PolarHBondContact O-N 3.38Å; D64-Y130 PolarHBondContact OD2-OH 3.38Å; D64-I133 HydrophobicContact CB-CB 3.89Å; D64-I133 HydrophobicContact CB-CG1 4.1Å; D64-I133 HydrophobicContact CB-CG2 3.85Å; D64-I133 WeakPolarHBondContact OD1-CB 3.36Å
65	M	97.8	Very high	91	Very high	10 Å²	10	71.2 Å²	71.2	5%	0.049	33%	0.326	C	S	.	.	H	α-helix	trans	-53.4	-52.2	173.3	180	-163.4	-46.7	0	0	111.8	S61 Q62 I68 L69 W91	S61-M65 WeakPolarHBondContact O-CB 3.43Å; S61-M65 PolarHBondContact O-N 3.09Å; Q62-M65 PolarHBondContact NE2-SD 3.49Å; Q62-M65 WeakPolarHBondContact O-CB 3.39Å; M65-I68 PolarHBondContact O-N 3.45Å; M65-L69 WeakPolarHBondContact O-CB 3.28Å; M65-L69 PolarHBondContact O-N 3.19Å; M65-W91 HydrophobicContact CB-CH2 4.31Å; M65-W91 HydrophobicContact CB-CZ2 4.41Å; M65-W91 HydrophobicContact CB-CZ3 4.42Å; M65-W91 HydrophobicContact CE-CZ2 4.5Å; M65-W91 HydrophobicContact CG-CD2 3.36Å; M65-W91 HydrophobicContact CG-CE3 3.52Å; M65-W91 HydrophobicContact CG-CG 3.84Å; M65-W91 HydrophobicContact CG-CH2 3.89Å; M65-W91 HydrophobicContact CG-CZ2 3.78Å; M65-W91 HydrophobicContact CG-CZ3 3.78Å; M65-W91 HydrophobicContact SD-CB 4.42Å; M65-W91 HydrophobicContact SD-CD2 3.9Å; M65-W91 HydrophobicContact SD-CG 3.77Å
66	L	98	Very high	92.8	Very high	83 Å²	83	59.7 Å²	59.7	44%	0.435	28%	0.282	S	S	.	.	H	α-helix	trans	-62.4	-45.3	178.9	-69.1	172	0	0	0	110.9	Q62 S63 D64 I68 L69 D70	Q62-L66 HydrophobicContact CG-CD1 4.4Å; Q62-L66 VanDerWaalsContact O-CG 3.31Å; Q62-L66 WeakPolarHBondContact O-CG 3.49Å; Q62-L66 PolarHBondContact O-N 3.08Å; Q62-L66 VanDerWaalsContact O-N 3.08Å; S63-L66 PolarHBondContact O-N 2.73Å; D64-L66 PolarHBondContact O-N 2.72Å; L66-I68 VanDerWaalsContact C-N 3.34Å; L66-I68 PolarHBondContact O-N 3.25Å; L66-L69 PolarHBondContact O-N 2.9Å; L66-D70 VanDerWaalsContact O-CB 3.28Å; L66-D70 WeakPolarHBondContact O-CB 3.27Å; L66-D70 PolarHBondContact O-N 3.02Å
67	A	98.6	Very high	94.5	Very high	28 Å²	28	52.1 Å²	52.1	23%	0.231	26%	0.256	C	S	.	.	H	α-helix	trans	-59.8	-41.9	178.4	0	0	0	0	0	112.6	S63 D64 Y71 I133 L134	S63-A67 WeakPolarHBondContact O-CB 3.2Å; S63-A67 PolarHBondContact O-N 3.37Å; D64-A67 PolarHBondContact O-N 2.84Å; A67-Y71 WeakPolarHBondContact O-CB 3.31Å; A67-Y71 PolarHBondContact O-N 3.38Å; A67-I133 HydrophobicContact CB-CG2 3.86Å; A67-L134 HydrophobicContact CB-CD2 4.41Å; A67-L134 HydrophobicContact CB-CG 4.48Å
68	I	98.8	Very high	95.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-51.6	174.9	-67.5	178.1	0	0	0	110.1	I60 D64 M65 L66 Y71 H72 W91 I133 V137 C184 L205	I60-I68 HydrophobicContact CD1-CD1 3.53Å; D64-I68 VanDerWaalsContact O-CG1 3.27Å; D64-I68 WeakPolarHBondContact O-CG1 3.49Å; D64-I68 PolarHBondContact O-N 3.38Å; M65-I68 PolarHBondContact O-N 3.45Å; L66-I68 VanDerWaalsContact C-N 3.34Å; L66-I68 PolarHBondContact O-N 3.25Å; I68-Y71 PolarHBondContact O-N 2.99Å; I68-H72 PolarHBondContact O-N 2.79Å; I68-H72 PolarHBondContact O-ND1 3.4Å; I68-W91 HydrophobicContact CG2-CZ3 4.47Å; I68-I133 HydrophobicContact CD1-CG1 3.81Å; I68-I133 HydrophobicContact CG1-CG1 3.95Å; I68-I133 HydrophobicContact CG1-CG2 3.94Å; I68-V137 HydrophobicContact CG1-CG2 4.09Å; I68-C184 HydrophobicContact CD1-CB 3.94Å; I68-L205 HydrophobicContact CD1-CD1 4.3Å
69	L	98.6	Very high	97	Very high	20 Å²	20	43.6 Å²	43.6	11%	0.105	23%	0.229	C	C	.	.	H	α-helix	trans	-63.1	-46.5	-175.4	-174.3	63.9	0	0	0	111.8	M65 L66 Y71 H72 N73 M89 W91 V182	M65-L69 WeakPolarHBondContact O-CB 3.28Å; M65-L69 PolarHBondContact O-N 3.19Å; L66-L69 PolarHBondContact O-N 2.9Å; L69-Y71 VanDerWaalsContact C-N 3.32Å; L69-Y71 PolarHBondContact O-N 3.29Å; L69-H72 PolarHBondContact O-N 3.44Å; L69-N73 PolarHBondContact O-N 3.33Å; L69-N73 PolarHBondContact O-ND2 3.13Å; L69-M89 HydrophobicContact CD1-CB 4.4Å; L69-M89 HydrophobicContact CD1-CG 4.1Å; L69-M89 WeakPolarHBondContact CD1-O 3.5Å; L69-W91 HydrophobicContact CD2-CB 4.28Å; L69-V182 HydrophobicContact CD1-CG1 3.89Å
70	D	98.6	Very high	97.7	Very high	93 Å²	93	46.1 Å²	46.1	50%	0.497	24%	0.243	S	C	.	.	H	α-helix	trans	-62.4	-41	178.2	-70.2	-17.5	0	0	0	110.9	L66 N73 K74	L66-D70 VanDerWaalsContact O-CB 3.28Å; L66-D70 WeakPolarHBondContact O-CB 3.27Å; L66-D70 PolarHBondContact O-N 3.02Å; D70-N73 PolarHBondContact O-N 3.48Å; D70-K74 VanDerWaalsContact O-CB 3.23Å; D70-K74 WeakPolarHBondContact O-CB 3.3Å; D70-K74 PolarHBondContact O-N 3.06Å
71	Y	98.9	Very high	97.9	Very high	27 Å²	27	45.9 Å²	45.9	11%	0.106	24%	0.242	C	C	.	.	H	α-helix	trans	-66.3	-40.9	177.5	-170.5	-105.6	0	0	0	112.3	A67 I68 L69 K74 V75 L134 V137 K138 Y141 M174	A67-Y71 WeakPolarHBondContact O-CB 3.31Å; A67-Y71 PolarHBondContact O-N 3.38Å; I68-Y71 PolarHBondContact O-N 2.99Å; L69-Y71 VanDerWaalsContact C-N 3.32Å; L69-Y71 PolarHBondContact O-N 3.29Å; Y71-K74 PolarHBondContact O-N 3.44Å; Y71-V75 HydrophobicContact CD1-CG2 4.27Å; Y71-V75 HydrophobicContact CE1-CG2 3.85Å; Y71-V75 HydrophobicContact CE2-CG2 4.3Å; Y71-V75 WeakPolarHBondContact O-CG2 3.31Å; Y71-V75 PolarHBondContact O-N 2.98Å; Y71-L134 HydrophobicContact CD1-CD2 4.31Å; Y71-L134 HydrophobicContact CD2-CD1 4.4Å; Y71-L134 HydrophobicContact CD2-CD2 4.32Å; Y71-L134 HydrophobicContact CG-CD2 3.83Å; Y71-V137 HydrophobicContact CD1-CG1 3.65Å; Y71-V137 HydrophobicContact CE1-CG1 4.11Å; Y71-K138 HydrophobicContact CE1-CG 4.1Å; Y71-K138 HydrophobicContact CE2-CG 4.13Å; Y71-Y141 WeakPolarHBondContact OH-CB 3.3Å; Y71-Y141 VanDerWaalsContact OH-CD1 3.24Å; Y71-Y141 WeakPolarHBondContact OH-CD1 3.35Å; Y71-M174 HydrophobicContact CD1-CE 3.91Å; Y71-M174 HydrophobicContact CE1-CE 3.91Å
72	H	98.9	Very high	98.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-60.1	-52	174.1	-80.2	76.8	0	0	0	111.3	I68 L69 K74 V75 R76 M89 Y209	I68-H72 PolarHBondContact O-N 2.79Å; I68-H72 PolarHBondContact O-ND1 3.4Å; L69-H72 PolarHBondContact O-N 3.44Å; H72-K74 VanDerWaalsContact C-N 3.3Å; H72-K74 PolarHBondContact O-N 2.78Å; H72-V75 PolarHBondContact O-N 3Å; H72-R76 WeakPolarHBondContact O-CB 3.31Å; H72-R76 WeakPolarHBondContact O-CD 3.23Å; H72-R76 WeakPolarHBondContact O-CG 3.48Å; H72-R76 PolarHBondContact O-N 2.92Å; H72-M89 HydrophobicContact CB-SD 3.77Å; H72-Y209 AromaticContact CD2-CE1 3.95Å; H72-Y209 AromaticContact NE2-CE1 3.55Å; H72-Y209 AromaticContact NE2-CZ 3.77Å; H72-Y209 PolarHBondContact NE2-OH 2.83Å; H72-Y209 VanDerWaalsContact NE2-OH 3.1Å
73	N	98.8	Very high	98.3	Very high	11 Å²	11	42.4 Å²	42.4	6%	0.059	23%	0.227	C	C	.	.	H	α-helix	trans	-63.9	-36	179.7	-76.8	-44.1	0	0	0	112.2	L69 D70 R76 A77 Y88 M89 L242	L69-N73 PolarHBondContact O-N 3.33Å; L69-N73 PolarHBondContact O-ND2 3.13Å; D70-N73 PolarHBondContact O-N 3.48Å; N73-R76 PolarHBondContact O-N 3.27Å; N73-A77 VanDerWaalsContact O-CB 3.27Å; N73-A77 WeakPolarHBondContact O-CB 3.46Å; N73-A77 PolarHBondContact O-N 2.87Å; N73-Y88 HydrophobicContact CB-CE2 4.14Å; N73-Y88 WeakPolarHBondContact ND2-CE2 3.49Å; N73-M89 PolarHBondContact ND2-O 2.88Å; N73-M89 WeakPolarHBondContact OD1-CB 3.43Å; N73-M89 PolarHBondContact OD1-N 2.94Å; N73-L242 HydrophobicContact CB-CD1 4.1Å
74	K	98.8	Very high	98.4	Very high	138 Å²	138	38.7 Å²	38.7	60%	0.6	20%	0.201	S	C	*	.	H	α-helix	trans	-60.1	-49.1	172.4	-179.2	-179.1	178.8	179.2	0	111.6	D70 Y71 H72 A77 N78	D70-K74 VanDerWaalsContact O-CB 3.23Å; D70-K74 WeakPolarHBondContact O-CB 3.3Å; D70-K74 PolarHBondContact O-N 3.06Å; Y71-K74 PolarHBondContact O-N 3.44Å; H72-K74 VanDerWaalsContact C-N 3.3Å; H72-K74 PolarHBondContact O-N 2.78Å; K74-A77 PolarHBondContact O-N 3.14Å; K74-N78 PolarHBondContact O-N 3.45Å; K74-N78 PolarHBondContact O-ND2 2.81Å
75	V	98.8	Very high	98.4	Very high	8 Å²	8	39.3 Å²	39.3	5%	0.048	20%	0.204	C	C	.	.	H	α-helix	trans	-62.9	-46.9	179	166.7	0	0	0	0	110.5	Y71 H72 A77 N78 V79 Y141 Y171 V175	Y71-V75 HydrophobicContact CD1-CG2 4.27Å; Y71-V75 HydrophobicContact CE1-CG2 3.85Å; Y71-V75 HydrophobicContact CE2-CG2 4.3Å; Y71-V75 WeakPolarHBondContact O-CG2 3.31Å; Y71-V75 PolarHBondContact O-N 2.98Å; H72-V75 PolarHBondContact O-N 3Å; V75-A77 VanDerWaalsContact C-N 3.3Å; V75-A77 PolarHBondContact O-N 3.06Å; V75-N78 CarbonylContact O-C 3.57Å; V75-N78 PolarHBondContact O-N 2.76Å; V75-N78 VanDerWaalsContact O-N 3.08Å; V75-V79 WeakPolarHBondContact O-CG1 3.46Å; V75-V79 PolarHBondContact O-N 2.83Å; V75-Y141 HydrophobicContact CB-CD2 4.15Å; V75-Y141 HydrophobicContact CB-CE2 4.42Å; V75-Y141 HydrophobicContact CG1-CD2 3.39Å; V75-Y141 HydrophobicContact CG1-CE2 3.7Å; V75-Y141 HydrophobicContact CG1-CG 4.42Å; V75-Y141 HydrophobicContact CG2-CD2 3.59Å; V75-Y141 HydrophobicContact CG2-CE2 3.99Å; V75-Y141 HydrophobicContact CG2-CG 3.93Å; V75-Y171 HydrophobicContact CG1-CE2 4.43Å; V75-V175 HydrophobicContact CG1-CG1 3.63Å
76	R	98.8	Very high	98.4	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.008	20%	0.202	C	C	.	.	H	α-helix	trans	-58.4	-38.8	179	-70.4	169.3	74.8	76.6	-0.2	113	H72 N73 N78 M86 E87 M174 W176 A177 T179 L242	H72-R76 WeakPolarHBondContact O-CB 3.31Å; H72-R76 WeakPolarHBondContact O-CD 3.23Å; H72-R76 WeakPolarHBondContact O-CG 3.48Å; H72-R76 PolarHBondContact O-N 2.92Å; N73-R76 PolarHBondContact O-N 3.27Å; R76-N78 VanDerWaalsContact C-N 3.26Å; R76-N78 PolarHBondContact O-N 3.49Å; R76-M86 HydrophobicContact CB-CG 3.8Å; R76-M86 HydrophobicContact CB-SD 3.99Å; R76-M86 HydrophobicContact CG-CG 4.45Å; R76-M86 HydrophobicContact CG-SD 4.03Å; R76-M86 PolarHBondContact NH2-SD 2.98Å; R76-M86 VanDerWaalsContact NH2-SD 3.36Å; R76-E87 VanDerWaalsContact CZ-O 3.3Å; R76-E87 PolarHBondContact NE-O 3.46Å; R76-E87 PolarHBondContact NH2-O 3.43Å; R76-M174 VanDerWaalsContact CG-O 3.31Å; R76-M174 WeakPolarHBondContact CG-O 3.44Å; R76-M174 PolarHBondContact NH1-O 2.95Å; R76-W176 PolarHBondContact NH1-O 3.27Å; R76-W176 PolarHBondContact NH2-O 2.03Å; R76-W176 VanDerWaalsContact NH2-O 3.16Å; R76-A177 PolarHBondContact NH2-O 2.95Å; R76-T179 PolarHBondContact NH1-O 2.79Å; R76-T179 PolarHBondContact NH2-O 3.45Å; R76-L242 HydrophobicContact CB-CD2 3.78Å
77	A	98.5	Very high	98.4	Very high	13 Å²	13	35.8 Å²	35.8	11%	0.107	19%	0.185	C	C	.	.	H	α-helix	trans	-70.7	-18.4	178.7	0	0	0	0	0	114.3	N73 K74 V75 N240 N241 L242	N73-A77 VanDerWaalsContact O-CB 3.27Å; N73-A77 WeakPolarHBondContact O-CB 3.46Å; N73-A77 PolarHBondContact O-N 2.87Å; K74-A77 PolarHBondContact O-N 3.14Å; V75-A77 VanDerWaalsContact C-N 3.3Å; V75-A77 PolarHBondContact O-N 3.06Å; A77-N240 WeakPolarHBondContact CB-O 3.06Å; A77-N241 PolarHBondContact O-ND2 2.87Å; A77-N241 VanDerWaalsContact O-ND2 3.11Å; A77-L242 HydrophobicContact CB-CD1 4.27Å; A77-L242 HydrophobicContact CB-CD2 4.39Å; A77-L242 HydrophobicContact CB-CG 4.17Å
78	N	98.4	Very high	98.4	Very high	111 Å²	111	37.3 Å²	37.3	59%	0.594	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.9	22.8	-170.2	-67.2	-77.6	0	0	0	113	K74 V75 R76	K74-N78 PolarHBondContact O-N 3.45Å; K74-N78 PolarHBondContact O-ND2 2.81Å; V75-N78 CarbonylContact O-C 3.57Å; V75-N78 PolarHBondContact O-N 2.76Å; V75-N78 VanDerWaalsContact O-N 3.08Å; R76-N78 VanDerWaalsContact C-N 3.26Å; R76-N78 PolarHBondContact O-N 3.49Å
79	V	98.6	Very high	98.3	Very high	16 Å²	16	37.3 Å²	37.3	10%	0.097	19%	0.186	C	C	.	.			trans	-67.3	148.9	178	-61.6	0	0	0	0	112	V75 P81 A83 M86 V175 Y221	V75-V79 WeakPolarHBondContact O-CG1 3.46Å; V75-V79 PolarHBondContact O-N 2.83Å; V79-P81 CarbonylContact O-C 3.58Å; V79-A83 HydrophobicContact CG2-CB 3.73Å; V79-M86 HydrophobicContact CG1-CE 4.15Å; V79-M86 HydrophobicContact CG2-CE 4.05Å; V79-V175 HydrophobicContact CG1-CB 3.88Å; V79-V175 HydrophobicContact CG1-CG1 3.44Å; V79-V175 VanDerWaalsContact CG1-CG1 3.44Å; V79-Y221 HydrophobicContact CB-CE1 4.02Å; V79-Y221 HydrophobicContact CG1-CE1 4.24Å; V79-Y221 HydrophobicContact CG2-CE1 3.95Å; V79-Y221 HydrophobicContact CG2-CE2 4.08Å
80	F	97.3	Very high	98.3	Very high	163 Å²	163	37.4 Å²	37.4	72%	0.715	19%	0.187	S	C	*	.	S	Bend	trans	-126.4	129.7	170.3	-174.1	-95.8	0	0	0	110.2	Y221	F80-Y221 PolarHBondContact O-OH 2.89Å
81	P	97.8	Very high	98.2	Very high	6 Å²	6	34.8 Å²	34.8	4%	0.039	17%	0.17	C	C	.	.	S	Bend	cis	-63.3	158.8	-3.6	28.8	-36.8	0	0	0	112.8	V79 F149 Y151 Y221 V223	V79-P81 CarbonylContact O-C 3.58Å; P81-F149 HydrophobicContact CG-CB 4.25Å; P81-F149 HydrophobicContact CG-CD1 3.65Å; P81-F149 HydrophobicContact CG-CD2 4.16Å; P81-F149 HydrophobicContact CG-CE1 4.05Å; P81-F149 HydrophobicContact CG-CG 3.73Å; P81-F149 HydrophobicContact CG-CZ 4.45Å; P81-Y151 HydrophobicContact CB-CE1 4.4Å; P81-Y151 HydrophobicContact CG-CE1 4.2Å; P81-Y221 HydrophobicContact CG-CE2 4.39Å; P81-Y221 WeakPolarHBondContact O-CE2 3.49Å; P81-Y221 PolarHBondContact O-OH 3.2Å; P81-V223 HydrophobicContact CB-CG1 3.98Å; P81-V223 HydrophobicContact CB-CG2 4.25Å; P81-V223 HydrophobicContact CG-CG1 4.32Å; P81-V223 HydrophobicContact CG-CG2 3.67Å
82	P	98.3	Very high	98.2	Very high	57 Å²	57	35.1 Å²	35.1	37%	0.37	17%	0.174	S	C	.	.	P	Polyproline II helix	trans	-60.7	142.7	-179.3	-24.2	34.6	0	0	0	113	V223 G224 P226	P82-V223 WeakPolarHBondContact O-CA 3.49Å; P82-G224 CarbonylContact C-O 3.54Å; P82-G224 PolarHBondContact O-N 2.76Å; P82-P226 HydrophobicContact CB-CG 4.3Å
83	A	98.4	Very high	98.1	Very high	5 Å²	5	37.9 Å²	37.9	4%	0.041	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-97.7	127.3	-177	0	0	0	0	0	112.2	V79 M86 Y221 K222 P226	V79-A83 HydrophobicContact CG2-CB 3.73Å; A83-M86 HydrophobicContact CB-CB 3.87Å; A83-M86 HydrophobicContact CB-CE 3.79Å; A83-Y221 HydrophobicContact CB-CD1 4.47Å; A83-Y221 HydrophobicContact CB-CD2 3.41Å; A83-Y221 VanDerWaalsContact CB-CD2 3.41Å; A83-Y221 HydrophobicContact CB-CE2 3.9Å; A83-Y221 HydrophobicContact CB-CG 3.72Å; A83-K222 CarbonylContact C-O 3.55Å; A83-K222 WeakPolarHBondContact CA-O 3.46Å; A83-P226 WeakPolarHBondContact O-CA 3.45Å
84	A	97.8	Very high	97.9	Very high	2 Å²	2	38.8 Å²	38.8	2%	0.017	20%	0.199	C	C	.	.	S	Bend	trans	-78.5	-23.5	179.1	0	0	0	0	0	114.2	K222 I225 C227 S228 A229	A84-K222 HydrophobicContact CB-CG 4.45Å; A84-K222 PolarHBondContact N-O 2.85Å; A84-I225 WeakPolarHBondContact CA-O 3.49Å; A84-C227 CarbonylContact O-C 3.28Å; A84-C227 VanDerWaalsContact O-C 3.28Å; A84-C227 VanDerWaalsContact O-CA 3.3Å; A84-C227 WeakPolarHBondContact O-CA 3.4Å; A84-C227 PolarHBondContact O-N 3.04Å; A84-S228 WeakPolarHBondContact CB-OG 3.42Å; A84-S228 PolarHBondContact O-N 3.34Å; A84-A229 HydrophobicContact CB-CB 3.78Å; A84-A229 CarbonylContact O-C 3.48Å; A84-A229 WeakPolarHBondContact O-CA 3.27Å; A84-A229 PolarHBondContact O-N 2.97Å
85	N	97.9	Very high	97.9	Very high	32 Å²	32	33.1 Å²	33.1	17%	0.171	18%	0.175	C	C	.	.	S	Bend	trans	-130	22.4	-167.7	70	-32.6	0	0	0	113.9	E87 K222 A229	N85-E87 PolarHBondContact O-N 3.35Å; N85-K222 WeakPolarHBondContact OD1-CB 3.02Å; N85-K222 PolarHBondContact OD1-N 3.19Å; N85-A229 HydrophobicContact CB-CB 4.16Å; N85-A229 VanDerWaalsContact CB-O 3.24Å; N85-A229 WeakPolarHBondContact CB-O 3.43Å
86	M	98.6	Very high	97.9	Very high	1 Å²	1	33.1 Å²	33.1	1%	0.005	18%	0.176	C	C	.	.			trans	-69.9	113.7	-174.8	-170.5	65.3	72.9	0	0	111.4	R76 V79 A83 V175 A177 Y221 L242 C243	R76-M86 HydrophobicContact CB-CG 3.8Å; R76-M86 HydrophobicContact CB-SD 3.99Å; R76-M86 HydrophobicContact CG-CG 4.45Å; R76-M86 HydrophobicContact CG-SD 4.03Å; R76-M86 PolarHBondContact NH2-SD 2.98Å; R76-M86 VanDerWaalsContact NH2-SD 3.36Å; V79-M86 HydrophobicContact CG1-CE 4.15Å; V79-M86 HydrophobicContact CG2-CE 4.05Å; A83-M86 HydrophobicContact CB-CB 3.87Å; A83-M86 HydrophobicContact CB-CE 3.79Å; M86-V175 HydrophobicContact CE-CB 4.24Å; M86-V175 VanDerWaalsContact CE-O 3.27Å; M86-V175 WeakPolarHBondContact CE-O 3.34Å; M86-A177 HydrophobicContact SD-CB 4.41Å; M86-Y221 HydrophobicContact CE-CD1 3.65Å; M86-Y221 HydrophobicContact CE-CE1 4.28Å; M86-Y221 HydrophobicContact CE-CG 3.97Å; M86-L242 HydrophobicContact CB-CD2 3.91Å; M86-L242 HydrophobicContact CG-CD2 3.32Å; M86-L242 CarbonylContact O-C 3.57Å; M86-L242 WeakPolarHBondContact O-CA 3.02Å; M86-C243 PolarHBondContact O-N 3.45Å; M86-C243 PolarHBondContact O-SG 3.23Å
87	E	98	Very high	97.8	Very high	18 Å²	18	39.7 Å²	39.7	8%	0.084	20%	0.201	C	C	.	.	B	Isolated β-bridge	trans	-76.3	143.6	179.7	-62.4	-177.3	-148.3	0	0	112.2	R76 N85 M89 A177 N180 P231 Y234	R76-E87 VanDerWaalsContact CZ-O 3.3Å; R76-E87 PolarHBondContact NE-O 3.46Å; R76-E87 PolarHBondContact NH2-O 3.43Å; N85-E87 PolarHBondContact O-N 3.35Å; E87-M89 PolarHBondContact O-N 2.84Å; E87-A177 WeakPolarHBondContact CB-O 3.29Å; E87-A177 WeakPolarHBondContact CG-O 3.42Å; E87-A177 PolarHBondContact N-O 2.96Å; E87-A177 VanDerWaalsContact N-O 3.07Å; E87-N180 HydrophobicContact CB-CB 3.99Å; E87-N180 PolarHBondContact OE2-ND2 3.3Å; E87-P231 HydrophobicContact CG-CG 4.44Å; E87-Y234 HydrophobicContact CB-CE2 4.48Å; E87-Y234 WeakPolarHBondContact CB-OH 3.49Å; E87-Y234 HydrophobicContact CG-CE2 3.79Å; E87-Y234 WeakPolarHBondContact OE2-CE2 3.24Å; E87-Y234 PolarHBondContact OE2-OH 3.28Å
88	Y	97.5	Very high	97.7	Very high	60 Å²	60	40.3 Å²	40.3	24%	0.235	20%	0.204	C	C	.	.	P	Polyproline II helix	trans	-65.7	129.8	169.9	-175.2	-94.8	0	0	0	110.1	N73 V90 L242 C243 F244	N73-Y88 HydrophobicContact CB-CE2 4.14Å; N73-Y88 WeakPolarHBondContact ND2-CE2 3.49Å; Y88-V90 HydrophobicContact CD1-CG1 3.93Å; Y88-V90 HydrophobicContact CE1-CG1 4.02Å; Y88-L242 HydrophobicContact CD2-CB 4.49Å; Y88-L242 HydrophobicContact CD2-CD1 3.71Å; Y88-L242 HydrophobicContact CE2-CD1 4.39Å; Y88-C243 VanDerWaalsContact CB-O 3.31Å; Y88-C243 WeakPolarHBondContact CB-O 3.19Å; Y88-C243 PolarHBondContact N-O 3.11Å; Y88-F244 HydrophobicContact CD1-CD2 4.08Å; Y88-F244 AromaticContact CD1-CE2 3.66Å; Y88-F244 HydrophobicContact CD1-CE2 3.66Å; Y88-F244 HydrophobicContact CD1-CZ 4.45Å; Y88-F244 AromaticContact CD2-CD2 3.61Å; Y88-F244 HydrophobicContact CD2-CD2 3.61Å; Y88-F244 AromaticContact CD2-CE2 3.57Å; Y88-F244 HydrophobicContact CD2-CE2 3.57Å; Y88-F244 AromaticContact CE1-CE2 3.77Å; Y88-F244 HydrophobicContact CE1-CE2 3.77Å; Y88-F244 HydrophobicContact CE1-CZ 4.41Å; Y88-F244 HydrophobicContact CE2-CD2 4.18Å; Y88-F244 AromaticContact CE2-CE2 3.7Å; Y88-F244 HydrophobicContact CE2-CE2 3.7Å; Y88-F244 AromaticContact CG-CD2 3.56Å; Y88-F244 HydrophobicContact CG-CD2 3.56Å; Y88-F244 AromaticContact CG-CE2 3.56Å; Y88-F244 HydrophobicContact CG-CE2 3.56Å; Y88-F244 AromaticContact CZ-CE2 3.79Å
89	M	97.9	Very high	97.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.176	C	C	.	.	P	Polyproline II helix	trans	-89.3	137.6	-179.4	-172.7	175.3	-75.4	0	0	110.7	L69 H72 N73 E87 T179 N180 V182 Y209	L69-M89 HydrophobicContact CD1-CB 4.4Å; L69-M89 HydrophobicContact CD1-CG 4.1Å; L69-M89 WeakPolarHBondContact CD1-O 3.5Å; H72-M89 HydrophobicContact CB-SD 3.77Å; N73-M89 PolarHBondContact ND2-O 2.88Å; N73-M89 WeakPolarHBondContact OD1-CB 3.43Å; N73-M89 PolarHBondContact OD1-N 2.94Å; E87-M89 PolarHBondContact O-N 2.84Å; M89-T179 HydrophobicContact CE-CG2 3.95Å; M89-T179 VanDerWaalsContact CE-O 3.27Å; M89-T179 WeakPolarHBondContact CE-O 3.02Å; M89-N180 CarbonylContact C-O 3.56Å; M89-N180 WeakPolarHBondContact CA-O 3.37Å; M89-V182 HydrophobicContact CG-CB 4.23Å; M89-V182 HydrophobicContact CG-CG1 3.88Å; M89-V182 HydrophobicContact SD-CB 3.62Å; M89-V182 HydrophobicContact SD-CG1 3.51Å; M89-V182 VanDerWaalsContact SD-CG1 3.51Å; M89-Y209 HydrophobicContact CE-CD1 4.31Å
90	V	97.4	Very high	97.7	Very high	23 Å²	23	35.2 Å²	35.2	14%	0.139	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	159.8	174.6	-58.8	0	0	0	0	111.4	Y88 N180 R181 V182 W254	Y88-V90 HydrophobicContact CD1-CG1 3.93Å; Y88-V90 HydrophobicContact CE1-CG1 4.02Å; V90-N180 WeakPolarHBondContact CG2-O 2.95Å; V90-N180 PolarHBondContact N-O 3.4Å; V90-R181 HydrophobicContact CG2-CG 3.92Å; V90-R181 WeakPolarHBondContact O-CA 3.39Å; V90-V182 PolarHBondContact O-N 3.01Å; V90-W254 HydrophobicContact CB-CZ3 4.35Å; V90-W254 HydrophobicContact CG1-CE3 4.23Å; V90-W254 HydrophobicContact CG1-CH2 4.29Å; V90-W254 HydrophobicContact CG1-CZ3 3.78Å; V90-W254 HydrophobicContact CG2-CZ3 4.19Å
91	W	98.1	Very high	97.7	Very high	38 Å²	38	30.6 Å²	30.6	14%	0.144	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	138.9	172.5	-170.8	-99.8	0	0	0	111.2	I60 M65 I68 L69 A96 V182 C184	I60-W91 HydrophobicContact CD1-CH2 4.1Å; I60-W91 HydrophobicContact CG2-CH2 4.31Å; I60-W91 HydrophobicContact CG2-CZ2 4.05Å; M65-W91 HydrophobicContact CB-CH2 4.31Å; M65-W91 HydrophobicContact CB-CZ2 4.41Å; M65-W91 HydrophobicContact CB-CZ3 4.42Å; M65-W91 HydrophobicContact CE-CZ2 4.5Å; M65-W91 HydrophobicContact CG-CD2 3.36Å; M65-W91 HydrophobicContact CG-CE3 3.52Å; M65-W91 HydrophobicContact CG-CG 3.84Å; M65-W91 HydrophobicContact CG-CH2 3.89Å; M65-W91 HydrophobicContact CG-CZ2 3.78Å; M65-W91 HydrophobicContact CG-CZ3 3.78Å; M65-W91 HydrophobicContact SD-CB 4.42Å; M65-W91 HydrophobicContact SD-CD2 3.9Å; M65-W91 HydrophobicContact SD-CG 3.77Å; I68-W91 HydrophobicContact CG2-CZ3 4.47Å; L69-W91 HydrophobicContact CD2-CB 4.28Å; W91-A96 HydrophobicContact CZ2-CB 3.63Å; W91-V182 CarbonylContact C-O 3.57Å; W91-V182 WeakPolarHBondContact CA-O 2.96Å; W91-V182 HydrophobicContact CE3-CG1 4.19Å; W91-C184 HydrophobicContact CH2-CB 3.75Å; W91-C184 HydrophobicContact CZ3-CB 4.25Å
92	D	97.8	Very high	97.7	Very high	33 Å²	33	31.9 Å²	31.9	18%	0.176	17%	0.172	C	C	.	.			trans	-123.3	113.8	175	-169.2	-70.4	0	0	0	110.8	G94 L95 A96 R181 V182	D92-G94 PolarHBondContact O-N 3.42Å; D92-G94 VanDerWaalsContact OD1-CA 3.28Å; D92-G94 WeakPolarHBondContact OD1-CA 3.24Å; D92-G94 PolarHBondContact OD1-N 3.37Å; D92-L95 HydrophobicContact CB-CB 4.1Å; D92-L95 HydrophobicContact CB-CD1 3.84Å; D92-L95 HydrophobicContact CB-CG 3.86Å; D92-L95 PolarHBondContact O-N 3.33Å; D92-L95 PolarHBondContact OD1-N 3.16Å; D92-A96 PolarHBondContact O-N 2.87Å; D92-R181 HydrophobicContact CB-CB 4Å; D92-R181 HydrophobicContact CB-CG 4.32Å; D92-R181 IonicContact OD2-CZ 3.25Å; D92-R181 IonicContact OD2-NH1 3.8Å; D92-R181 PolarHBondContact OD2-NH1 3.25Å; D92-V182 PolarHBondContact N-O 3.46Å
93	E	96.1	Very high	97.7	Very high	58 Å²	58	29.2 Å²	29.2	27%	0.271	15%	0.154	S	C	.	.	H	α-helix	trans	-65.9	-26.5	-179	-67.3	-71.9	172.6	0	0	112.7	R58 R97	R58-E93 IonicContact CZ-OE1 2.7Å; R58-E93 VanDerWaalsContact CZ-OE1 3.26Å; R58-E93 IonicContact CZ-OE2 3.89Å; R58-E93 IonicContact NE-OE2 3.5Å; R58-E93 IonicContact NH1-OE1 3.62Å; R58-E93 VanDerWaalsContact NH2-CD 3.31Å; R58-E93 IonicContact NH2-OE1 2.73Å; R58-E93 PolarHBondContact NH2-OE1 3.34Å; R58-E93 IonicContact NH2-OE2 3.53Å; E93-R97 WeakPolarHBondContact O-CG 3.5Å; E93-R97 PolarHBondContact O-N 2.95Å; E93-R97 PolarHBondContact O-NH1 2.91Å
94	G	96.3	Very high	97.6	Very high	30 Å²	30	31.5 Å²	31.5	31%	0.309	17%	0.173	S	C	.	.	H	α-helix	trans	-68.1	-46.3	174.2	0	0	0	0	0	111.6	D92 A96 R97 S98	D92-G94 PolarHBondContact O-N 3.42Å; D92-G94 VanDerWaalsContact OD1-CA 3.28Å; D92-G94 WeakPolarHBondContact OD1-CA 3.24Å; D92-G94 PolarHBondContact OD1-N 3.37Å; G94-A96 VanDerWaalsContact C-N 3.33Å; G94-A96 PolarHBondContact O-N 3.27Å; G94-R97 PolarHBondContact O-N 3Å; G94-S98 PolarHBondContact O-N 3.33Å
95	L	98.3	Very high	97.6	Very high	19 Å²	19	34.1 Å²	34.1	10%	0.099	19%	0.189	C	C	.	.	H	α-helix	trans	-61.2	-41.9	173.6	-64.2	-177.6	0	0	0	111.5	D92 S98 A99 R181 N208	D92-L95 HydrophobicContact CB-CB 4.1Å; D92-L95 HydrophobicContact CB-CD1 3.84Å; D92-L95 HydrophobicContact CB-CG 3.86Å; D92-L95 PolarHBondContact O-N 3.33Å; D92-L95 PolarHBondContact OD1-N 3.16Å; L95-S98 PolarHBondContact O-N 2.84Å; L95-A99 WeakPolarHBondContact O-CB 3.4Å; L95-A99 PolarHBondContact O-N 2.88Å; L95-R181 HydrophobicContact CD1-CB 3.85Å; L95-N208 HydrophobicContact CB-CB 4.1Å; L95-N208 HydrophobicContact CD2-CB 4.25Å; L95-N208 PolarHBondContact O-ND2 3Å
96	A	98.2	Very high	97.6	Very high	8 Å²	8	34 Å²	34	7%	0.066	19%	0.191	C	C	.	.	H	α-helix	trans	-63.1	-42.9	177.9	0	0	0	0	0	112.3	W91 D92 G94 S98 A99 E100	W91-A96 HydrophobicContact CZ2-CB 3.63Å; D92-A96 PolarHBondContact O-N 2.87Å; G94-A96 VanDerWaalsContact C-N 3.33Å; G94-A96 PolarHBondContact O-N 3.27Å; A96-S98 VanDerWaalsContact C-N 3.33Å; A96-S98 PolarHBondContact O-N 3.24Å; A96-A99 PolarHBondContact O-N 2.87Å; A96-E100 WeakPolarHBondContact O-CB 3.3Å; A96-E100 PolarHBondContact O-N 3Å
97	R	96.5	Very high	97.5	Very high	141 Å²	141	38.5 Å²	38.5	53%	0.532	21%	0.214	S	C	.	.	H	α-helix	trans	-62.9	-38.6	174.1	-75.9	-172.1	-58.7	-91.3	6.4	112.7	E93 G94 E100 A101	E93-R97 WeakPolarHBondContact O-CG 3.5Å; E93-R97 PolarHBondContact O-N 2.95Å; E93-R97 PolarHBondContact O-NH1 2.91Å; G94-R97 PolarHBondContact O-N 3Å; R97-E100 PolarHBondContact O-N 2.81Å; R97-A101 PolarHBondContact O-N 3.07Å; R97-A101 VanDerWaalsContact O-N 3.07Å
98	S	97.1	Very high	97.5	Very high	26 Å²	26	40 Å²	40	18%	0.182	22%	0.219	C	C	.	.	H	α-helix	trans	-67.7	-39.6	175.4	176.2	0	0	0	0	111.6	G94 L95 A96 A101 W102 L115 N208	G94-S98 PolarHBondContact O-N 3.33Å; L95-S98 PolarHBondContact O-N 2.84Å; A96-S98 VanDerWaalsContact C-N 3.33Å; A96-S98 PolarHBondContact O-N 3.24Å; S98-A101 PolarHBondContact O-N 3.48Å; S98-W102 PolarHBondContact O-N 2.97Å; S98-W102 VanDerWaalsContact O-N 3.15Å; S98-L115 VanDerWaalsContact OG-CD1 3.31Å; S98-L115 WeakPolarHBondContact OG-CD1 3.43Å; S98-N208 PolarHBondContact OG-ND2 2.87Å
99	A	98.4	Very high	97.5	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-64.6	-40.5	175.1	0	0	0	0	0	111.4	L95 A96 W102 A103 A185 V206 N208	L95-A99 WeakPolarHBondContact O-CB 3.4Å; L95-A99 PolarHBondContact O-N 2.88Å; A96-A99 PolarHBondContact O-N 2.87Å; A99-W102 PolarHBondContact O-N 3.39Å; A99-A103 VanDerWaalsContact O-CB 3.29Å; A99-A103 WeakPolarHBondContact O-CB 3.39Å; A99-A103 PolarHBondContact O-N 3.26Å; A99-A185 HydrophobicContact CB-CB 4.15Å; A99-V206 HydrophobicContact CB-CB 4.16Å; A99-V206 HydrophobicContact CB-CG1 3.91Å; A99-N208 PolarHBondContact N-ND2 3.45Å
100	E	97.6	Very high	97.5	Very high	19 Å²	19	47.3 Å²	47.3	9%	0.089	26%	0.255	C	S	.	.	H	α-helix	trans	-57.8	-50	173.8	173.3	-174.4	154.6	0	0	111.3	R56 W59 A96 R97 W102 A103 A104 A185	R56-E100 IonicContact CZ-OE1 3.78Å; R56-E100 IonicContact NE-OE1 2.94Å; R56-E100 PolarHBondContact NE-OE1 2.86Å; R56-E100 IonicContact NH2-OE1 3.95Å; R56-E100 PolarHBondContact NH2-OE1 3.25Å; W59-E100 HydrophobicContact CB-CG 4.12Å; W59-E100 HydrophobicContact CD2-CG 4.35Å; W59-E100 HydrophobicContact CG-CG 3.67Å; W59-E100 PolarHBondContact NE1-OE1 3.4Å; A96-E100 WeakPolarHBondContact O-CB 3.3Å; A96-E100 PolarHBondContact O-N 3Å; R97-E100 PolarHBondContact O-N 2.81Å; E100-W102 PolarHBondContact O-N 2.96Å; E100-A103 PolarHBondContact O-N 2.83Å; E100-A104 WeakPolarHBondContact O-CB 3.16Å; E100-A104 PolarHBondContact O-N 3.42Å; E100-A185 HydrophobicContact CB-CB 3.78Å; E100-A185 VanDerWaalsContact N-CB 3.28Å
101	A	97	Very high	97.4	Very high	66 Å²	66	46.2 Å²	46.2	55%	0.545	25%	0.248	S	C	.	.	H	α-helix	trans	-59.5	-36.8	179.3	0	0	0	0	0	112.2	R97 S98	R97-A101 PolarHBondContact O-N 3.07Å; R97-A101 VanDerWaalsContact O-N 3.07Å; S98-A101 PolarHBondContact O-N 3.48Å
102	W	98.1	Very high	97.4	Very high	33 Å²	33	45.5 Å²	45.5	13%	0.125	25%	0.249	C	C	.	.	H	α-helix	trans	-75.9	-45	177.1	-169.1	-111.9	0	0	0	112.8	S98 A99 E100 A104 T105 E109 H110 G111 P112	S98-W102 PolarHBondContact O-N 2.97Å; S98-W102 VanDerWaalsContact O-N 3.15Å; A99-W102 PolarHBondContact O-N 3.39Å; E100-W102 PolarHBondContact O-N 2.96Å; W102-A104 PolarHBondContact O-N 3.46Å; W102-T105 HydrophobicContact CE3-CG2 4.28Å; W102-T105 WeakPolarHBondContact O-CB 3.36Å; W102-T105 WeakPolarHBondContact O-CG2 3.36Å; W102-T105 PolarHBondContact O-N 3.03Å; W102-T105 PolarHBondContact O-OG1 2.85Å; W102-E109 WeakPolarHBondContact CZ2-O 3.19Å; W102-E109 PolarHBondContact NE1-O 2.97Å; W102-H110 VanDerWaalsContact CZ2-C 3.48Å; W102-H110 WeakPolarHBondContact CZ2-O 3.4Å; W102-G111 VanDerWaalsContact CE2-N 3.29Å; W102-P112 HydrophobicContact CE3-CB 3.97Å; W102-P112 HydrophobicContact CE3-CG 4.44Å; W102-P112 HydrophobicContact CZ3-CB 3.81Å
103	A	98	Very high	97.3	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.008	27%	0.271	C	S	.	.	H	α-helix	trans	-58.4	-38.2	179.4	0	0	0	0	0	111.6	A99 E100 T105 C106 A185 Q187 Y204 V206	A99-A103 VanDerWaalsContact O-CB 3.29Å; A99-A103 WeakPolarHBondContact O-CB 3.39Å; A99-A103 PolarHBondContact O-N 3.26Å; E100-A103 PolarHBondContact O-N 2.83Å; A103-T105 PolarHBondContact O-N 3.21Å; A103-T105 VanDerWaalsContact O-N 3.13Å; A103-C106 PolarHBondContact O-N 3.15Å; A103-A185 HydrophobicContact CB-CB 4.41Å; A103-Q187 HydrophobicContact CB-CB 3.82Å; A103-Q187 WeakPolarHBondContact O-CG 3.39Å; A103-Y204 HydrophobicContact CB-CD1 4.43Å; A103-V206 HydrophobicContact CB-CB 4.3Å; A103-V206 HydrophobicContact CB-CG2 3.68Å
104	A	97.1	Very high	97.2	Very high	53 Å²	53	53 Å²	53	44%	0.438	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.4	177.4	0	0	0	0	0	114.3	E100 W102 C106	E100-A104 WeakPolarHBondContact O-CB 3.16Å; E100-A104 PolarHBondContact O-N 3.42Å; W102-A104 PolarHBondContact O-N 3.46Å; A104-C106 PolarHBondContact O-N 3.3Å
105	T	97.4	Very high	97.2	Very high	58 Å²	58	54 Å²	54	36%	0.356	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.5	-21	175.6	69.5	0	0	0	0	112.7	W102 A103 L107	W102-T105 HydrophobicContact CE3-CG2 4.28Å; W102-T105 WeakPolarHBondContact O-CB 3.36Å; W102-T105 WeakPolarHBondContact O-CG2 3.36Å; W102-T105 PolarHBondContact O-N 3.03Å; W102-T105 PolarHBondContact O-OG1 2.85Å; A103-T105 PolarHBondContact O-N 3.21Å; A103-T105 VanDerWaalsContact O-N 3.13Å; T105-L107 PolarHBondContact O-N 3.33Å; T105-L107 PolarHBondContact OG1-N 3.11Å
106	C	97.4	Very high	97	Very high	29 Å²	29	55 Å²	55	20%	0.196	29%	0.292	C	S	.	.			trans	53.4	35.7	-175.1	-70.3	0	0	0	0	113.7	A103 A104 C189 M192	A103-C106 PolarHBondContact O-N 3.15Å; A104-C106 PolarHBondContact O-N 3.3Å; C106-C189 WeakPolarHBondContact CA-SG 3.32Å; C106-C189 HydrophobicContact CB-CB 3.65Å; C106-C189 WeakPolarHBondContact CB-SG 3.27Å; C106-C189 WeakPolarHBondContact SG-CA 3.49Å; C106-C189 WeakPolarHBondContact SG-CB 3.37Å; C106-C189 CovalentContact SG-SG 2.03Å; C106-C189 PolarHBondContact SG-SG 2.93Å; C106-M192 WeakPolarHBondContact O-CG 3.28Å
107	L	97.4	Very high	96.8	Very high	95 Å²	95	63.2 Å²	63.2	50%	0.497	32%	0.322	S	S	.	.			trans	-104	126.5	174.3	-60	176.8	0	0	0	109.8	T105 E109 Y204	T105-L107 PolarHBondContact O-N 3.33Å; T105-L107 PolarHBondContact OG1-N 3.11Å; L107-E109 PolarHBondContact O-N 3.2Å; L107-Y204 WeakPolarHBondContact O-CE1 3.03Å; L107-Y204 PolarHBondContact O-OH 3.19Å
108	W	97.9	Very high	96.7	Very high	49 Å²	49	63.7 Å²	63.7	19%	0.186	33%	0.325	C	S	.	.	S	Bend	trans	-81.1	63.1	176.3	-174.7	-118.2	0	0	0	110.9	L123 V125 M192 V193 V194 W195 Y204	W108-L123 HydrophobicContact CE3-CB 4.47Å; W108-L123 HydrophobicContact CH2-CB 3.76Å; W108-L123 HydrophobicContact CZ3-CB 3.61Å; W108-V125 HydrophobicContact CD2-CG1 4.02Å; W108-V125 HydrophobicContact CE3-CB 3.86Å; W108-V125 HydrophobicContact CE3-CG1 3.8Å; W108-V125 HydrophobicContact CH2-CB 4.07Å; W108-V125 HydrophobicContact CH2-CG1 3.63Å; W108-V125 HydrophobicContact CZ2-CG1 3.85Å; W108-V125 HydrophobicContact CZ3-CB 3.58Å; W108-V125 HydrophobicContact CZ3-CG1 3.58Å; W108-M192 HydrophobicContact CB-CE 3.48Å; W108-M192 VanDerWaalsContact CB-CE 3.48Å; W108-M192 HydrophobicContact CD2-CE 4.13Å; W108-M192 HydrophobicContact CE3-CE 3.61Å; W108-M192 HydrophobicContact CG-CE 4.12Å; W108-V193 VanDerWaalsContact CB-O 3.28Å; W108-V193 WeakPolarHBondContact CB-O 3.4Å; W108-V194 HydrophobicContact CB-CG2 4.28Å; W108-V194 HydrophobicContact CD2-CG1 4.13Å; W108-V194 HydrophobicContact CG-CB 4.36Å; W108-V194 HydrophobicContact CG-CG1 3.93Å; W108-V194 HydrophobicContact CG-CG2 4.28Å; W108-W195 AromaticContact CZ2-CZ2 3.82Å; W108-W195 HydrophobicContact CZ2-CZ2 3.82Å; W108-W195 AromaticContact NE1-CD1 3.89Å; W108-W195 AromaticContact NE1-CE2 3.65Å; W108-W195 AromaticContact NE1-NE1 3.41Å; W108-Y204 HydrophobicContact CE3-CD2 4.01Å; W108-Y204 AromaticContact CE3-CE2 3.64Å; W108-Y204 HydrophobicContact CE3-CE2 3.64Å; W108-Y204 AromaticContact CZ3-CD2 3.94Å; W108-Y204 HydrophobicContact CZ3-CD2 3.94Å; W108-Y204 AromaticContact CZ3-CE2 3.64Å; W108-Y204 HydrophobicContact CZ3-CE2 3.64Å
109	E	97.1	Very high	96.6	Very high	133 Å²	133	63 Å²	63	62%	0.621	32%	0.319	S	S	*	.	S	Bend	trans	-148.3	156.4	-178.5	-73	-62.1	167.8	0	0	110	W102 L107 L123 Y204	W102-E109 WeakPolarHBondContact CZ2-O 3.19Å; W102-E109 PolarHBondContact NE1-O 2.97Å; L107-E109 PolarHBondContact O-N 3.2Å; E109-L123 WeakPolarHBondContact O-CD1 3.33Å; E109-Y204 PolarHBondContact O-OH 3.02Å
110	H	97.9	Very high	96.6	Very high	81 Å²	81	63.1 Å²	63.1	38%	0.375	32%	0.32	S	S	.	.			trans	-72.6	141.8	173	-73.6	-70.2	0	0	0	111.9	W102 L116 Q121	W102-H110 VanDerWaalsContact CZ2-C 3.48Å; W102-H110 WeakPolarHBondContact CZ2-O 3.4Å; H110-L116 HydrophobicContact CB-CD1 3.72Å; H110-Q121 PolarHBondContact CE1-O 2.65Å; H110-Q121 VanDerWaalsContact CE1-O 3.25Å; H110-Q121 PolarHBondContact ND1-OE1 3.33Å
111	G	96.4	Very high	96.7	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	32%	0.319	C	S	.	.			trans	170.7	-172.7	172.9	0	0	0	0	0	117.2	W102 Q121	W102-G111 VanDerWaalsContact CE2-N 3.29Å; G111-Q121 PolarHBondContact O-NE2 3.34Å
112	P	96.4	Very high	96.8	Very high	23 Å²	23	59.8 Å²	59.8	15%	0.149	29%	0.293	C	S	.	.			cis	-72	147.7	-2.9	31.6	-36.5	0	0	0	112	W102 F114 L115 L116	W102-P112 HydrophobicContact CE3-CB 3.97Å; W102-P112 HydrophobicContact CE3-CG 4.44Å; W102-P112 HydrophobicContact CZ3-CB 3.81Å; P112-F114 VanDerWaalsContact C-N 3.27Å; P112-F114 HydrophobicContact CB-CD1 3.79Å; P112-F114 HydrophobicContact CB-CE1 3.38Å; P112-F114 HydrophobicContact CB-CZ 4.07Å; P112-F114 HydrophobicContact CG-CD1 4.11Å; P112-F114 HydrophobicContact CG-CE1 3.48Å; P112-F114 VanDerWaalsContact CG-CE1 3.48Å; P112-F114 HydrophobicContact CG-CE2 4.37Å; P112-F114 HydrophobicContact CG-CZ 3.62Å; P112-F114 PolarHBondContact O-N 3.46Å; P112-F114 VanDerWaalsContact O-N 3.09Å; P112-L115 HydrophobicContact CG-CB 4.25Å; P112-L115 HydrophobicContact CG-CD1 3.71Å; P112-L115 HydrophobicContact CG-CG 3.9Å; P112-L115 PolarHBondContact O-N 3.47Å; P112-L116 PolarHBondContact O-N 2.03Å
113	P	95.8	Very high	96.8	Very high	100 Å²	100	58.6 Å²	58.6	65%	0.649	29%	0.289	S	S	*	.	H	α-helix	trans	-53.7	-37.1	-170.2	-30.4	35.5	0	0	0	115.4	L115 L116	P113-L115 PolarHBondContact O-N 2.89Å; P113-L116 PolarHBondContact O-N 2.94Å
114	F	95.3	Very high	96.8	Very high	150 Å²	150	59.3 Å²	59.3	66%	0.658	29%	0.294	S	S	*	.	H	α-helix	trans	-65.7	-24.8	-179.2	66.4	-91.6	0	0	0	113.5	P112	P112-F114 VanDerWaalsContact C-N 3.27Å; P112-F114 HydrophobicContact CB-CD1 3.79Å; P112-F114 HydrophobicContact CB-CE1 3.38Å; P112-F114 HydrophobicContact CB-CZ 4.07Å; P112-F114 HydrophobicContact CG-CD1 4.11Å; P112-F114 HydrophobicContact CG-CE1 3.48Å; P112-F114 VanDerWaalsContact CG-CE1 3.48Å; P112-F114 HydrophobicContact CG-CE2 4.37Å; P112-F114 HydrophobicContact CG-CZ 3.62Å; P112-F114 PolarHBondContact O-N 3.46Å; P112-F114 VanDerWaalsContact O-N 3.09Å
115	L	95.2	Very high	96.9	Very high	49 Å²	49	57.5 Å²	57.5	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-87.1	-31.2	176.2	-66.3	-177.4	0	0	0	112.6	S98 P112 P113 R117 Y118 L119	S98-L115 VanDerWaalsContact OG-CD1 3.31Å; S98-L115 WeakPolarHBondContact OG-CD1 3.43Å; P112-L115 HydrophobicContact CG-CB 4.25Å; P112-L115 HydrophobicContact CG-CD1 3.71Å; P112-L115 HydrophobicContact CG-CG 3.9Å; P112-L115 PolarHBondContact O-N 3.47Å; P113-L115 PolarHBondContact O-N 2.89Å; L115-R117 PolarHBondContact O-N 3.21Å; L115-Y118 PolarHBondContact O-N 3.1Å; L115-L119 HydrophobicContact CB-CD2 3.61Å; L115-L119 HydrophobicContact CB-CG 4.12Å; L115-L119 HydrophobicContact CD1-CD2 4.2Å; L115-L119 HydrophobicContact CG-CD2 4.41Å; L115-L119 WeakPolarHBondContact O-CG 3.44Å; L115-L119 PolarHBondContact O-N 3.27Å; L115-L119 VanDerWaalsContact O-N 3.1Å
116	L	95	Very high	96.8	Very high	40 Å²	40	58.2 Å²	58.2	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-61.3	-14.6	-175.3	-63	-177.7	0	0	0	114.4	H110 P112 P113 Y118 L119 Q121 K212	H110-L116 HydrophobicContact CB-CD1 3.72Å; P112-L116 PolarHBondContact O-N 2.03Å; P113-L116 PolarHBondContact O-N 2.94Å; L116-Y118 VanDerWaalsContact C-N 3.27Å; L116-L119 HydrophobicContact CD2-CD1 3.84Å; L116-Q121 HydrophobicContact CD2-CB 4.08Å; L116-K212 WeakPolarHBondContact O-CE 3.35Å; L116-K212 PolarHBondContact O-NZ 2.81Å
117	R	93.1	Very high	96.6	Very high	181 Å²	181	60.8 Å²	60.8	68%	0.683	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67	-28.7	169.9	-171.3	177	-175	-164.2	3	112.7	L115	L115-R117 PolarHBondContact O-N 3.21Å
118	Y	94.4	Very high	96.4	Very high	151 Å²	151	57.4 Å²	57.4	59%	0.592	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	-22.6	-171.8	-53.8	-73.7	0	0	0	113.6	L115 L116 K212	L115-Y118 PolarHBondContact O-N 3.1Å; L116-Y118 VanDerWaalsContact C-N 3.27Å; Y118-K212 WeakPolarHBondContact O-CB 3.41Å
119	L	96.8	Very high	96.1	Very high	13 Å²	13	58 Å²	58	7%	0.068	30%	0.299	C	S	.	.			trans	-117.5	152.2	179.1	63.8	85	0	0	0	112.9	L115 L116 Q121 N208 Y209 K212	L115-L119 HydrophobicContact CB-CD2 3.61Å; L115-L119 HydrophobicContact CB-CG 4.12Å; L115-L119 HydrophobicContact CD1-CD2 4.2Å; L115-L119 HydrophobicContact CG-CD2 4.41Å; L115-L119 WeakPolarHBondContact O-CG 3.44Å; L115-L119 PolarHBondContact O-N 3.27Å; L115-L119 VanDerWaalsContact O-N 3.1Å; L116-L119 HydrophobicContact CD2-CD1 3.84Å; L119-Q121 HydrophobicContact CD1-CB 4.17Å; L119-N208 HydrophobicContact CD1-CB 4.34Å; L119-Y209 WeakPolarHBondContact CA-O 2.97Å; L119-Y209 WeakPolarHBondContact CB-O 3Å; L119-K212 PolarHBondContact O-NZ 3.03Å
120	G	98.4	Very high	95.9	Very high	1 Å²	1	54.8 Å²	54.8	1%	0.01	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	156.3	162.6	0	0	0	0	0	110.3	N208 Y209	G120-N208 CarbonylContact O-C 3.49Å; G120-N208 WeakPolarHBondContact O-CA 3.43Å; G120-Y209 PolarHBondContact N-O 3.46Å; G120-Y209 PolarHBondContact O-N 3.05Å
121	Q	98.8	Very high	95.8	Very high	14 Å²	14	62.3 Å²	62.3	7%	0.065	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	130.2	176.2	-176.1	175.5	83.9	0	0	111.1	H110 G111 L116 L119 L123 V206 C207 N208	H110-Q121 PolarHBondContact CE1-O 2.65Å; H110-Q121 VanDerWaalsContact CE1-O 3.25Å; H110-Q121 PolarHBondContact ND1-OE1 3.33Å; G111-Q121 PolarHBondContact O-NE2 3.34Å; L116-Q121 HydrophobicContact CD2-CB 4.08Å; L119-Q121 HydrophobicContact CD1-CB 4.17Å; Q121-L123 HydrophobicContact CG-CD2 3.79Å; Q121-L123 HydrophobicContact CG-CG 4.38Å; Q121-V206 HydrophobicContact CG-CG1 4.1Å; Q121-C207 CarbonylContact C-O 3.53Å; Q121-C207 VanDerWaalsContact CA-O 3.25Å; Q121-C207 WeakPolarHBondContact CA-O 3.29Å; Q121-N208 WeakPolarHBondContact CG-OD1 3.43Å; Q121-N208 PolarHBondContact NE2-OD1 3.11Å
122	N	98.9	Very high	95.8	Very high	2 Å²	2	64.6 Å²	64.6	1%	0.011	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.5	167.7	-69.1	2.6	0	0	0	109	W140 H170 C207 Y209	N122-W140 HydrophobicContact CB-CD2 3.89Å; N122-W140 HydrophobicContact CB-CE3 4.06Å; N122-W140 HydrophobicContact CB-CH2 3.83Å; N122-W140 HydrophobicContact CB-CZ2 3.6Å; N122-W140 HydrophobicContact CB-CZ3 4.04Å; N122-H170 WeakPolarHBondContact ND2-CA 3.33Å; N122-H170 PolarHBondContact ND2-O 3.08Å; N122-C207 PolarHBondContact N-O 2.97Å; N122-C207 PolarHBondContact O-N 3.16Å; N122-Y209 HydrophobicContact CB-CE2 3.75Å; N122-Y209 PolarHBondContact ND2-OH 2.03Å
123	L	98.8	Very high	95.9	Very high	8 Å²	8	63.5 Å²	63.5	4%	0.042	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	144.2	-179.4	-58.5	-175.9	0	0	0	109.5	W108 E109 Q121 W140 Y204 L205 V206	W108-L123 HydrophobicContact CE3-CB 4.47Å; W108-L123 HydrophobicContact CH2-CB 3.76Å; W108-L123 HydrophobicContact CZ3-CB 3.61Å; E109-L123 WeakPolarHBondContact O-CD1 3.33Å; Q121-L123 HydrophobicContact CG-CD2 3.79Å; Q121-L123 HydrophobicContact CG-CG 4.38Å; L123-W140 PolarHBondContact O-NE1 2.81Å; L123-Y204 HydrophobicContact CB-CE2 4.16Å; L123-Y204 HydrophobicContact CD1-CE2 4.43Å; L123-Y204 HydrophobicContact CD2-CE2 3.93Å; L123-Y204 WeakPolarHBondContact CD2-OH 3.03Å; L123-Y204 HydrophobicContact CG-CE2 4.4Å; L123-L205 WeakPolarHBondContact CA-O 3.14Å; L123-V206 HydrophobicContact CD2-CB 4.16Å; L123-V206 HydrophobicContact CD2-CG1 3.9Å; L123-V206 HydrophobicContact CD2-CG2 3.85Å
124	S	98.3	Very high	96	Very high	15 Å²	15	60.5 Å²	60.5	11%	0.105	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	141.5	173.2	-174.6	0	0	0	0	109.7	L136 Y204 L205	S124-L136 WeakPolarHBondContact CB-O 3.1Å; S124-L136 WeakPolarHBondContact OG-CA 3.41Å; S124-L136 VanDerWaalsContact OG-CD2 3.28Å; S124-L136 WeakPolarHBondContact OG-CD2 3.27Å; S124-L136 PolarHBondContact OG-O 2.86Å; S124-Y204 WeakPolarHBondContact O-CD2 3.37Å; S124-L205 PolarHBondContact N-O 3.26Å; S124-L205 PolarHBondContact O-N 3.38Å
125	V	97.7	Very high	96.2	Very high	16 Å²	16	57.6 Å²	57.6	10%	0.097	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	143.5	-177.6	67.4	0	0	0	0	110.6	W108 M192 V194 W195 W199 A202 T203	W108-V125 HydrophobicContact CD2-CG1 4.02Å; W108-V125 HydrophobicContact CE3-CB 3.86Å; W108-V125 HydrophobicContact CE3-CG1 3.8Å; W108-V125 HydrophobicContact CH2-CB 4.07Å; W108-V125 HydrophobicContact CH2-CG1 3.63Å; W108-V125 HydrophobicContact CZ2-CG1 3.85Å; W108-V125 HydrophobicContact CZ3-CB 3.58Å; W108-V125 HydrophobicContact CZ3-CG1 3.58Å; V125-M192 HydrophobicContact CG2-CE 4.18Å; V125-M192 HydrophobicContact CG2-SD 4.42Å; V125-V194 HydrophobicContact CG1-CG1 3.64Å; V125-V194 HydrophobicContact CG1-CG2 4.34Å; V125-V194 HydrophobicContact CG2-CG2 4.05Å; V125-W195 HydrophobicContact CG1-CH2 4.16Å; V125-W199 HydrophobicContact CG1-CZ3 4.25Å; V125-W199 HydrophobicContact CG2-CE3 4.22Å; V125-W199 HydrophobicContact CG2-CZ3 4.31Å; V125-A202 HydrophobicContact CG2-CB 4.06Å; V125-T203 VanDerWaalsContact CA-O 3.3Å; V125-T203 WeakPolarHBondContact CA-O 3.4Å
126	R	96.1	Very high	96.3	Very high	72 Å²	72	55.3 Å²	55.3	27%	0.272	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	157.8	172.9	65.1	-177.2	-68.7	-74.8	3.2	110.8	G128 G129 L136 A202 T203	R126-G128 PolarHBondContact NH1-O 3.39Å; R126-G129 PolarHBondContact NH1-O 3.05Å; R126-G129 PolarHBondContact NH2-O 2.94Å; R126-L136 HydrophobicContact CB-CD2 4.42Å; R126-L136 HydrophobicContact CG-CD2 3.84Å; R126-A202 CarbonylContact O-C 3.53Å; R126-A202 WeakPolarHBondContact O-CA 3.41Å; R126-T203 PolarHBondContact N-O 2.94Å; R126-T203 PolarHBondContact O-N 3.21Å
127	T	94	Very high	96.5	Very high	83 Å²	83	53.4 Å²	53.4	51%	0.509	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	140.3	172.9	-51	0	0	0	0	111.3
128	G	91.9	Very high	96.7	Very high	25 Å²	25	49.5 Å²	49.5	26%	0.258	25%	0.248	S	C	.	.	S	Bend	trans	71.8	-174.2	176.6	0	0	0	0	0	114.1	R126 Q201 T203	R126-G128 PolarHBondContact NH1-O 3.39Å; G128-Q201 WeakPolarHBondContact CA-O 3.39Å; G128-Q201 PolarHBondContact N-O 3.33Å; G128-T203 WeakPolarHBondContact O-CB 3.44Å; G128-T203 PolarHBondContact O-OG1 3.37Å
129	G	91.4	Very high	96.9	Very high	62 Å²	62	45.2 Å²	45.2	64%	0.639	24%	0.239	S	C	*	.			trans	-80.6	153	-179	0	0	0	0	0	113.7	R126	R126-G129 PolarHBondContact NH1-O 3.05Å; R126-G129 PolarHBondContact NH2-O 2.94Å
130	Y	94.4	Very high	97	Very high	65 Å²	65	44.9 Å²	44.9	26%	0.255	24%	0.236	S	C	.	.			trans	-100.6	153.7	-177.3	64.9	-86.4	0	0	0	111.7	D64 S132 I133 V186 T203	D64-Y130 PolarHBondContact OD2-OH 3.38Å; Y130-S132 VanDerWaalsContact CD2-C 3.45Å; Y130-I133 HydrophobicContact CE1-CD1 4.48Å; Y130-I133 HydrophobicContact CE2-CB 4.13Å; Y130-I133 HydrophobicContact CE2-CD1 4.09Å; Y130-V186 HydrophobicContact CE1-CG1 4.35Å; Y130-V186 HydrophobicContact CE1-CG2 3.95Å; Y130-T203 HydrophobicContact CD1-CG2 3.7Å; Y130-T203 HydrophobicContact CE1-CG2 4.22Å
131	R	94.8	Very high	97	Very high	239 Å²	239	48.6 Å²	48.6	90%	0.902	25%	0.251	S	S	*	.	S	Bend	trans	-93.8	-29.9	172.7	-66.5	-175.1	-178	174.3	0.5	112.9
132	S	96.9	Very high	97	Very high	48 Å²	48	51.7 Å²	51.7	34%	0.336	27%	0.268	S	S	.	.			trans	-144.4	135.5	175.8	173.2	0	0	0	0	108.4	Y130 L134 Q135	Y130-S132 VanDerWaalsContact CD2-C 3.45Å; S132-L134 PolarHBondContact O-N 3.02Å; S132-L134 VanDerWaalsContact O-N 3.11Å; S132-L134 PolarHBondContact OG-N 3.43Å; S132-Q135 WeakPolarHBondContact O-CB 3.33Å; S132-Q135 WeakPolarHBondContact O-CG 3.44Å; S132-Q135 PolarHBondContact O-N 2.95Å
133	I	97.9	Very high	97	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-24.2	177.8	-163.1	65.9	0	0	0	112.4	D64 A67 I68 Y130 Q135 L136 V137 V186 L205	D64-I133 HydrophobicContact CB-CB 3.89Å; D64-I133 HydrophobicContact CB-CG1 4.1Å; D64-I133 HydrophobicContact CB-CG2 3.85Å; D64-I133 WeakPolarHBondContact OD1-CB 3.36Å; A67-I133 HydrophobicContact CB-CG2 3.86Å; I68-I133 HydrophobicContact CD1-CG1 3.81Å; I68-I133 HydrophobicContact CG1-CG1 3.95Å; I68-I133 HydrophobicContact CG1-CG2 3.94Å; Y130-I133 HydrophobicContact CE1-CD1 4.48Å; Y130-I133 HydrophobicContact CE2-CB 4.13Å; Y130-I133 HydrophobicContact CE2-CD1 4.09Å; I133-Q135 PolarHBondContact O-N 3.16Å; I133-Q135 VanDerWaalsContact O-N 3.13Å; I133-L136 HydrophobicContact CD1-CD1 3.75Å; I133-L136 WeakPolarHBondContact O-CB 3.33Å; I133-L136 PolarHBondContact O-N 3.25Å; I133-V137 PolarHBondContact O-N 3.06Å; I133-V186 HydrophobicContact CD1-CB 4.4Å; I133-L205 HydrophobicContact CD1-CD1 4.29Å; I133-L205 HydrophobicContact CD1-CD2 4.46Å
134	L	98.4	Very high	97	Very high	36 Å²	36	54 Å²	54	19%	0.188	28%	0.28	C	S	.	.	H	α-helix	trans	-64.1	-18	176.8	-62.1	-173.8	0	0	0	113.2	A67 Y71 S132 L136 V137 K138	A67-L134 HydrophobicContact CB-CD2 4.41Å; A67-L134 HydrophobicContact CB-CG 4.48Å; Y71-L134 HydrophobicContact CD1-CD2 4.31Å; Y71-L134 HydrophobicContact CD2-CD1 4.4Å; Y71-L134 HydrophobicContact CD2-CD2 4.32Å; Y71-L134 HydrophobicContact CG-CD2 3.83Å; S132-L134 PolarHBondContact O-N 3.02Å; S132-L134 VanDerWaalsContact O-N 3.11Å; S132-L134 PolarHBondContact OG-N 3.43Å; L134-L136 PolarHBondContact O-N 2.7Å; L134-V137 PolarHBondContact O-N 3.17Å; L134-K138 HydrophobicContact CB-CD 4.4Å; L134-K138 HydrophobicContact CB-CG 4.3Å; L134-K138 VanDerWaalsContact O-CB 3.31Å; L134-K138 WeakPolarHBondContact O-CB 3.34Å; L134-K138 VanDerWaalsContact O-CG 3.27Å; L134-K138 WeakPolarHBondContact O-CG 3.31Å; L134-K138 PolarHBondContact O-N 2.9Å
135	Q	98.1	Very high	97	Very high	89 Å²	89	59.4 Å²	59.4	42%	0.416	31%	0.308	S	S	.	.	H	α-helix	trans	-62.5	-25.5	170.8	-66.7	177.8	-22.5	0	0	112.5	S132 I133 P139	S132-Q135 WeakPolarHBondContact O-CB 3.33Å; S132-Q135 WeakPolarHBondContact O-CG 3.44Å; S132-Q135 PolarHBondContact O-N 2.95Å; I133-Q135 PolarHBondContact O-N 3.16Å; I133-Q135 VanDerWaalsContact O-N 3.13Å; Q135-P139 WeakPolarHBondContact O-CD 3.44Å
136	L	98.4	Very high	97	Very high	1 Å²	1	61.4 Å²	61.4	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-91.3	-25.7	177.2	-70.7	159	0	0	0	112.4	S124 R126 I133 L134 V186 T203 L205	S124-L136 WeakPolarHBondContact CB-O 3.1Å; S124-L136 WeakPolarHBondContact OG-CA 3.41Å; S124-L136 VanDerWaalsContact OG-CD2 3.28Å; S124-L136 WeakPolarHBondContact OG-CD2 3.27Å; S124-L136 PolarHBondContact OG-O 2.86Å; R126-L136 HydrophobicContact CB-CD2 4.42Å; R126-L136 HydrophobicContact CG-CD2 3.84Å; I133-L136 HydrophobicContact CD1-CD1 3.75Å; I133-L136 WeakPolarHBondContact O-CB 3.33Å; I133-L136 PolarHBondContact O-N 3.25Å; L134-L136 PolarHBondContact O-N 2.7Å; L136-V186 HydrophobicContact CD1-CG2 4.5Å; L136-T203 HydrophobicContact CD1-CG2 3.78Å; L136-L205 HydrophobicContact CB-CB 4.2Å; L136-L205 HydrophobicContact CB-CD2 3.58Å; L136-L205 HydrophobicContact CD1-CB 3.87Å; L136-L205 HydrophobicContact CD1-CD2 4.33Å; L136-L205 HydrophobicContact CD2-CB 4.42Å; L136-L205 HydrophobicContact CG-CB 4.39Å
137	V	98.7	Very high	97.1	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-96.1	-37.6	-173.3	-178.8	0	0	0	0	112.9	I68 Y71 I133 L134 P139 W140 M174 L205	I68-V137 HydrophobicContact CG1-CG2 4.09Å; Y71-V137 HydrophobicContact CD1-CG1 3.65Å; Y71-V137 HydrophobicContact CE1-CG1 4.11Å; I133-V137 PolarHBondContact O-N 3.06Å; L134-V137 PolarHBondContact O-N 3.17Å; V137-P139 VanDerWaalsContact C-CD 3.44Å; V137-P139 VanDerWaalsContact C-N 3.35Å; V137-W140 HydrophobicContact CB-CE3 4.22Å; V137-W140 HydrophobicContact CB-CZ3 4.32Å; V137-W140 HydrophobicContact CG1-CE3 3.79Å; V137-W140 HydrophobicContact CG1-CZ3 4.04Å; V137-W140 HydrophobicContact CG2-CE3 4.37Å; V137-W140 HydrophobicContact CG2-CH2 4.49Å; V137-W140 HydrophobicContact CG2-CZ3 3.96Å; V137-W140 VanDerWaalsContact O-CB 3.3Å; V137-W140 WeakPolarHBondContact O-CB 3.48Å; V137-W140 PolarHBondContact O-N 3.1Å; V137-M174 HydrophobicContact CG1-CE 3.87Å; V137-L205 HydrophobicContact CG2-CD2 3.7Å
138	K	98.6	Very high	97.3	Very high	99 Å²	99	60.5 Å²	60.5	43%	0.43	31%	0.312	S	S	.	.	H	α-helix	trans	-56.3	-39.7	-179.6	-75.4	-179.5	172	-171	0	114	Y71 L134 W140 Y141 D142	Y71-K138 HydrophobicContact CE1-CG 4.1Å; Y71-K138 HydrophobicContact CE2-CG 4.13Å; L134-K138 HydrophobicContact CB-CD 4.4Å; L134-K138 HydrophobicContact CB-CG 4.3Å; L134-K138 VanDerWaalsContact O-CB 3.31Å; L134-K138 WeakPolarHBondContact O-CB 3.34Å; L134-K138 VanDerWaalsContact O-CG 3.27Å; L134-K138 WeakPolarHBondContact O-CG 3.31Å; L134-K138 PolarHBondContact O-N 2.9Å; K138-W140 PolarHBondContact O-N 3.41Å; K138-W140 VanDerWaalsContact O-N 3.14Å; K138-Y141 WeakPolarHBondContact O-CA 3.15Å; K138-Y141 WeakPolarHBondContact O-CB 3.1Å; K138-Y141 PolarHBondContact O-N 3.34Å; K138-D142 VanDerWaalsContact O-CG 3.29Å; K138-D142 PolarHBondContact O-N 3.1Å
139	P	98.4	Very high	97.5	Very high	62 Å²	62	60.4 Å²	60.4	40%	0.403	31%	0.305	S	S	.	.	H	α-helix	trans	-57.5	-29.4	176.1	-27.4	36.9	0	0	0	114	Q135 V137 D142	Q135-P139 WeakPolarHBondContact O-CD 3.44Å; V137-P139 VanDerWaalsContact C-CD 3.44Å; V137-P139 VanDerWaalsContact C-N 3.35Å; P139-D142 PolarHBondContact O-N 3.38Å
140	W	98.8	Very high	97.7	Very high	6 Å²	6	57.6 Å²	57.6	2%	0.023	28%	0.275	C	S	.	.	H	α-helix	trans	-67.3	-37.3	172.9	-59.5	-28.2	0	0	0	112.2	N122 L123 V137 K138 H170 Y171 M174 L205 C207	N122-W140 HydrophobicContact CB-CD2 3.89Å; N122-W140 HydrophobicContact CB-CE3 4.06Å; N122-W140 HydrophobicContact CB-CH2 3.83Å; N122-W140 HydrophobicContact CB-CZ2 3.6Å; N122-W140 HydrophobicContact CB-CZ3 4.04Å; L123-W140 PolarHBondContact O-NE1 2.81Å; V137-W140 HydrophobicContact CB-CE3 4.22Å; V137-W140 HydrophobicContact CB-CZ3 4.32Å; V137-W140 HydrophobicContact CG1-CE3 3.79Å; V137-W140 HydrophobicContact CG1-CZ3 4.04Å; V137-W140 HydrophobicContact CG2-CE3 4.37Å; V137-W140 HydrophobicContact CG2-CH2 4.49Å; V137-W140 HydrophobicContact CG2-CZ3 3.96Å; V137-W140 VanDerWaalsContact O-CB 3.3Å; V137-W140 WeakPolarHBondContact O-CB 3.48Å; V137-W140 PolarHBondContact O-N 3.1Å; K138-W140 PolarHBondContact O-N 3.41Å; K138-W140 VanDerWaalsContact O-N 3.14Å; W140-H170 HydrophobicContact CB-CB 3.62Å; W140-H170 VanDerWaalsContact CD1-CB 3.5Å; W140-H170 AromaticContact CD1-CD2 3.98Å; W140-H170 AromaticContact CD1-CG 3.55Å; W140-H170 AromaticContact CD1-ND1 3.91Å; W140-H170 HydrophobicContact CG-CB 3.65Å; W140-Y171 WeakPolarHBondContact O-CA 3.39Å; W140-Y171 VanDerWaalsContact O-CB 3.23Å; W140-Y171 WeakPolarHBondContact O-CB 3.02Å; W140-Y171 PolarHBondContact O-N 3.09Å; W140-Y171 VanDerWaalsContact O-N 3.16Å; W140-M174 HydrophobicContact CB-CG 4.42Å; W140-M174 HydrophobicContact CB-SD 3.45Å; W140-M174 WeakPolarHBondContact CB-SD 3.15Å; W140-M174 HydrophobicContact CE3-SD 4.3Å; W140-L205 HydrophobicContact CH2-CD2 3.61Å; W140-L205 HydrophobicContact CH2-CG 4.04Å; W140-L205 HydrophobicContact CZ2-CD2 4.16Å; W140-L205 HydrophobicContact CZ2-CG 4.5Å; W140-L205 HydrophobicContact CZ3-CD2 4.31Å; W140-C207 HydrophobicContact CH2-CB 3.84Å; W140-C207 HydrophobicContact CZ3-CB 4.11Å
141	Y	98.7	Very high	97.6	Very high	78 Å²	78	58.1 Å²	58.1	31%	0.306	28%	0.277	S	S	.	.	H	α-helix	trans	-71.3	-37.6	175.3	169	-107.7	0	0	0	111.7	Y71 V75 K138 E143 V144 Y171	Y71-Y141 WeakPolarHBondContact OH-CB 3.3Å; Y71-Y141 VanDerWaalsContact OH-CD1 3.24Å; Y71-Y141 WeakPolarHBondContact OH-CD1 3.35Å; V75-Y141 HydrophobicContact CB-CD2 4.15Å; V75-Y141 HydrophobicContact CB-CE2 4.42Å; V75-Y141 HydrophobicContact CG1-CD2 3.39Å; V75-Y141 HydrophobicContact CG1-CE2 3.7Å; V75-Y141 HydrophobicContact CG1-CG 4.42Å; V75-Y141 HydrophobicContact CG2-CD2 3.59Å; V75-Y141 HydrophobicContact CG2-CE2 3.99Å; V75-Y141 HydrophobicContact CG2-CG 3.93Å; K138-Y141 WeakPolarHBondContact O-CA 3.15Å; K138-Y141 WeakPolarHBondContact O-CB 3.1Å; K138-Y141 PolarHBondContact O-N 3.34Å; Y141-E143 PolarHBondContact O-N 3.16Å; Y141-V144 HydrophobicContact CD2-CG1 4.46Å; Y141-V144 HydrophobicContact CE1-CG1 4.34Å; Y141-V144 HydrophobicContact CE2-CB 4.42Å; Y141-V144 HydrophobicContact CE2-CG1 4.08Å; Y141-V144 VanDerWaalsContact O-CB 3.26Å; Y141-V144 WeakPolarHBondContact O-CB 3.39Å; Y141-V144 WeakPolarHBondContact O-CG1 3.35Å; Y141-V144 PolarHBondContact O-N 2.84Å; Y141-Y171 HydrophobicContact CD2-CD2 4.06Å; Y141-Y171 AromaticContact CD2-CE2 3.97Å; Y141-Y171 HydrophobicContact CD2-CE2 3.97Å; Y141-Y171 HydrophobicContact CE2-CE2 4.15Å
142	D	98.4	Very high	97.5	Very high	79 Å²	79	51.5 Å²	51.5	42%	0.422	27%	0.265	S	S	.	.	H	α-helix	trans	-60.8	-20.4	-175.9	-63.8	-26.2	0	0	0	112.8	K138 P139 V144 N145	K138-D142 VanDerWaalsContact O-CG 3.29Å; K138-D142 PolarHBondContact O-N 3.1Å; P139-D142 PolarHBondContact O-N 3.38Å; D142-V144 PolarHBondContact O-N 2.96Å; D142-V144 VanDerWaalsContact O-N 3.09Å; D142-N145 WeakPolarHBondContact O-CB 3.45Å; D142-N145 PolarHBondContact O-N 3.17Å; D142-N145 VanDerWaalsContact O-N 3.1Å; D142-N145 PolarHBondContact O-ND2 2.91Å
143	E	98.7	Very high	97.3	Very high	22 Å²	22	59 Å²	59	10%	0.103	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-61.6	-13.7	171.2	-46.9	179.6	157.1	0	0	113.1	Y141 N145 D146 Y147 M167 C168 T169 H170 Y171	Y141-E143 PolarHBondContact O-N 3.16Å; E143-N145 PolarHBondContact O-N 3Å; E143-D146 PolarHBondContact O-N 3.19Å; E143-Y147 PolarHBondContact O-N 3.19Å; E143-M167 WeakPolarHBondContact OE1-CG 3.38Å; E143-C168 HydrophobicContact CB-CB 4.49Å; E143-C168 WeakPolarHBondContact OE2-CA 3.29Å; E143-T169 PolarHBondContact OE2-N 3.06Å; E143-H170 IonicContact OE1-CE1 2.72Å; E143-H170 IonicContact OE1-CG 3.37Å; E143-H170 IonicContact OE1-ND1 3.89Å; E143-H170 PolarHBondContact OE1-ND1 3.36Å; E143-H170 WeakPolarHBondContact OE2-CA 3.47Å; E143-H170 VanDerWaalsContact OE2-CB 3.29Å; E143-H170 WeakPolarHBondContact OE2-CB 3.49Å; E143-H170 IonicContact OE2-CG 3.95Å; E143-H170 PolarHBondContact OE2-N 3.35Å; E143-H170 IonicContact OE2-ND1 3.26Å; E143-Y171 PolarHBondContact OE2-N 3.22Å
144	V	98.3	Very high	97	Very high	36 Å²	36	61.5 Å²	61.5	22%	0.218	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-54.8	-29.8	170.1	70.4	0	0	0	0	112.4	Y141 D142 D146 Y147 Y171	Y141-V144 HydrophobicContact CD2-CG1 4.46Å; Y141-V144 HydrophobicContact CE1-CG1 4.34Å; Y141-V144 HydrophobicContact CE2-CB 4.42Å; Y141-V144 HydrophobicContact CE2-CG1 4.08Å; Y141-V144 VanDerWaalsContact O-CB 3.26Å; Y141-V144 WeakPolarHBondContact O-CB 3.39Å; Y141-V144 WeakPolarHBondContact O-CG1 3.35Å; Y141-V144 PolarHBondContact O-N 2.84Å; D142-V144 PolarHBondContact O-N 2.96Å; D142-V144 VanDerWaalsContact O-N 3.09Å; V144-D146 PolarHBondContact O-N 3Å; V144-Y147 PolarHBondContact O-N 3.46Å; V144-Y171 HydrophobicContact CB-CD1 4.34Å; V144-Y171 HydrophobicContact CB-CD2 3.85Å; V144-Y171 HydrophobicContact CB-CE1 4.19Å; V144-Y171 HydrophobicContact CB-CE2 3.68Å; V144-Y171 HydrophobicContact CB-CG 4.18Å; V144-Y171 HydrophobicContact CG2-CD2 4.39Å; V144-Y171 HydrophobicContact CG2-CE1 3.93Å; V144-Y171 HydrophobicContact CG2-CE2 3.75Å; V144-Y171 VanDerWaalsContact CG2-CZ 3.47Å
145	N	98.1	Very high	96.8	Very high	129 Å²	129	61.5 Å²	61.5	69%	0.69	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-68.4	-22.9	179.1	-63.4	-60.8	0	0	0	112.5	D142 E143	D142-N145 WeakPolarHBondContact O-CB 3.45Å; D142-N145 PolarHBondContact O-N 3.17Å; D142-N145 VanDerWaalsContact O-N 3.1Å; D142-N145 PolarHBondContact O-ND2 2.91Å; E143-N145 PolarHBondContact O-N 3Å
146	D	98	Very high	96.5	Very high	59 Å²	59	64.2 Å²	64.2	32%	0.316	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.2	-12	180	-69.3	-67.8	0	0	0	113	E143 V144 C163 S164 A165	E143-D146 PolarHBondContact O-N 3.19Å; V144-D146 PolarHBondContact O-N 3Å; D146-C163 CarbonylContact O-C 3.5Å; D146-C163 WeakPolarHBondContact O-CA 3.37Å; D146-S164 WeakPolarHBondContact CA-OG 3.23Å; D146-S164 VanDerWaalsContact CB-OG 3.31Å; D146-S164 WeakPolarHBondContact CB-OG 3.19Å; D146-S164 PolarHBondContact O-N 2.03Å; D146-S164 PolarHBondContact O-OG 2.89Å; D146-S164 PolarHBondContact OD1-OG 3.25Å; D146-A165 HydrophobicContact CB-CB 3.61Å; D146-A165 WeakPolarHBondContact OD2-CB 3.44Å
147	Y	98.1	Very high	96.2	Very high	22 Å²	22	70.2 Å²	70.2	9%	0.086	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	129.3	-177	179.1	-106.3	0	0	0	112	E143 V144 F149 P150 M161 C168 Y171 T172 P220	E143-Y147 PolarHBondContact O-N 3.19Å; V144-Y147 PolarHBondContact O-N 3.46Å; Y147-F149 HydrophobicContact CE1-CB 4.02Å; Y147-F149 HydrophobicContact CE1-CD2 4.08Å; Y147-F149 HydrophobicContact CE1-CG 4.48Å; Y147-P150 WeakPolarHBondContact OH-CD 3.42Å; Y147-M161 HydrophobicContact CD2-SD 4.11Å; Y147-M161 HydrophobicContact CE2-CE 4.49Å; Y147-M161 HydrophobicContact CE2-SD 3.63Å; Y147-C168 HydrophobicContact CD2-CB 4.02Å; Y147-C168 HydrophobicContact CG-CB 4.5Å; Y147-Y171 AromaticContact CD1-CD1 3.86Å; Y147-Y171 HydrophobicContact CD1-CD1 3.86Å; Y147-Y171 AromaticContact CD1-CE1 3.51Å; Y147-Y171 HydrophobicContact CD1-CE1 3.51Å; Y147-Y171 HydrophobicContact CE1-CE1 4.07Å; Y147-Y171 AromaticContact CG-CD1 3.96Å; Y147-Y171 HydrophobicContact CG-CD1 3.96Å; Y147-Y171 HydrophobicContact CG-CE1 4.1Å; Y147-T172 HydrophobicContact CD1-CG2 4.5Å; Y147-T172 HydrophobicContact CD2-CG2 3.76Å; Y147-T172 HydrophobicContact CE1-CG2 4.18Å; Y147-T172 HydrophobicContact CE2-CG2 3.42Å; Y147-T172 VanDerWaalsContact CE2-CG2 3.42Å; Y147-T172 HydrophobicContact CG-CG2 4.28Å; Y147-P220 HydrophobicContact CE1-CG 4.43Å; Y147-P220 WeakPolarHBondContact OH-CD 3.3Å; Y147-P220 WeakPolarHBondContact OH-CG 3.22Å
148	M	97.3	Very high	96	Very high	113 Å²	113	78.6 Å²	78.6	56%	0.557	39%	0.39	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	116.5	171	-61.2	176.9	69.9	0	0	110.4	R162	M148-R162 HydrophobicContact CB-CB 3.81Å; M148-R162 PolarHBondContact N-O 3.31Å
149	F	97.3	Very high	95.9	Very high	23 Å²	23	74.7 Å²	74.7	10%	0.101	38%	0.375	C	S	.	.	P	Polyproline II helix	trans	-65.2	128.6	-179.7	-170.4	-80.9	0	0	0	111.9	P81 Y147 P219 P220 Y221 V223	P81-F149 HydrophobicContact CG-CB 4.25Å; P81-F149 HydrophobicContact CG-CD1 3.65Å; P81-F149 HydrophobicContact CG-CD2 4.16Å; P81-F149 HydrophobicContact CG-CE1 4.05Å; P81-F149 HydrophobicContact CG-CG 3.73Å; P81-F149 HydrophobicContact CG-CZ 4.45Å; Y147-F149 HydrophobicContact CE1-CB 4.02Å; Y147-F149 HydrophobicContact CE1-CD2 4.08Å; Y147-F149 HydrophobicContact CE1-CG 4.48Å; F149-P219 HydrophobicContact CZ-CB 4.13Å; F149-P220 HydrophobicContact CD2-CG 4.17Å; F149-P220 HydrophobicContact CE2-CG 3.82Å; F149-Y221 HydrophobicContact CD2-CE1 4.05Å; F149-Y221 AromaticContact CD2-CE2 3.93Å; F149-Y221 HydrophobicContact CD2-CE2 3.93Å; F149-Y221 AromaticContact CD2-CZ 3.58Å; F149-Y221 AromaticContact CE2-CD1 4Å; F149-Y221 HydrophobicContact CE2-CD1 4Å; F149-Y221 AromaticContact CE2-CD2 3.61Å; F149-Y221 HydrophobicContact CE2-CD2 3.61Å; F149-Y221 AromaticContact CE2-CE1 3.65Å; F149-Y221 HydrophobicContact CE2-CE1 3.65Å; F149-Y221 AromaticContact CE2-CE2 3.23Å; F149-Y221 HydrophobicContact CE2-CE2 3.23Å; F149-Y221 AromaticContact CE2-CG 3.99Å; F149-Y221 HydrophobicContact CE2-CG 3.99Å; F149-Y221 AromaticContact CE2-CZ 3.26Å; F149-Y221 AromaticContact CZ-CD2 3.88Å; F149-Y221 HydrophobicContact CZ-CD2 3.88Å; F149-Y221 AromaticContact CZ-CE2 3.72Å; F149-Y221 HydrophobicContact CZ-CE2 3.72Å; F149-Y221 HydrophobicContact CZ-CG 4.49Å; F149-Y221 WeakPolarHBondContact CZ-O 3.37Å; F149-V223 HydrophobicContact CD1-CG2 3.99Å; F149-V223 HydrophobicContact CE1-CG2 3.16Å; F149-V223 HydrophobicContact CZ-CG2 3.53Å
150	P	95.8	Very high	95.8	Very high	4 Å²	4	73.8 Å²	73.8	3%	0.026	37%	0.369	C	S	.	.	P	Polyproline II helix	trans	-79.8	120.8	176.1	30.7	-32	0	0	0	111.1	Y147 C159 P160 P219	Y147-P150 WeakPolarHBondContact OH-CD 3.42Å; P150-C159 HydrophobicContact CB-CB 4.08Å; P150-C159 HydrophobicContact CG-CB 4.06Å; P150-P160 HydrophobicContact CB-CG 4.37Å; P150-P219 HydrophobicContact CG-CB 4.05Å
151	Y	92.9	Very high	95.5	Very high	75 Å²	75	78.1 Å²	78.1	29%	0.294	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-80.2	160.2	175.9	-71.9	-90.2	0	0	0	110.8	P81 R153 D154 C155	P81-Y151 HydrophobicContact CB-CE1 4.4Å; P81-Y151 HydrophobicContact CG-CE1 4.2Å; Y151-R153 PolarHBondContact O-N 3.1Å; Y151-D154 WeakPolarHBondContact CB-OD2 3.4Å; Y151-D154 PolarHBondContact N-OD2 2.94Å; Y151-D154 WeakPolarHBondContact O-CA 3.41Å; Y151-D154 WeakPolarHBondContact O-CB 3.37Å; Y151-D154 PolarHBondContact O-N 3.15Å; Y151-C155 PolarHBondContact O-SG 3.38Å; Y151-C155 VanDerWaalsContact O-SG 3.41Å
152	P	91	Very high	95.4	Very high	100 Å²	100	79.4 Å²	79.4	65%	0.649	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-51.4	-33.2	178.9	-30.2	36.1	0	0	0	114.4	D154 C155	P152-D154 VanDerWaalsContact C-N 3.27Å; P152-D154 PolarHBondContact O-N 3.16Å; P152-C155 PolarHBondContact O-N 2.96Å
153	R	92.7	Very high	95.3	Very high	207 Å²	207	77.9 Å²	77.9	78%	0.781	39%	0.39	S	S	*	.	G	3₁₀ helix	trans	-66.4	-24.6	175.8	68.2	-173.1	179.7	-145.4	-1	114.4	Y151 C155	Y151-R153 PolarHBondContact O-N 3.1Å; R153-C155 VanDerWaalsContact C-N 3.32Å
154	D	92.6	Very high	95.3	Very high	52 Å²	52	81.4 Å²	81.4	28%	0.278	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-85.8	-8.7	178.9	-57.6	-59.9	0	0	0	111.8	Y151 P152 P160 R162	Y151-D154 WeakPolarHBondContact CB-OD2 3.4Å; Y151-D154 PolarHBondContact N-OD2 2.94Å; Y151-D154 WeakPolarHBondContact O-CA 3.41Å; Y151-D154 WeakPolarHBondContact O-CB 3.37Å; Y151-D154 PolarHBondContact O-N 3.15Å; P152-D154 VanDerWaalsContact C-N 3.27Å; P152-D154 PolarHBondContact O-N 3.16Å; D154-P160 HydrophobicContact CB-CG 4.29Å; D154-P160 WeakPolarHBondContact O-CD 3.26Å; D154-R162 IonicContact OD1-NH2 3.54Å
155	C	94.6	Very high	95.2	Very high	35 Å²	35	81 Å²	81	24%	0.236	42%	0.418	C	S	.	.			trans	-99.5	104.5	-174.3	-56.7	0	0	0	0	111.4	Y151 P152 R153 C159	Y151-C155 PolarHBondContact O-SG 3.38Å; Y151-C155 VanDerWaalsContact O-SG 3.41Å; P152-C155 PolarHBondContact O-N 2.96Å; R153-C155 VanDerWaalsContact C-N 3.32Å; C155-C159 HydrophobicContact CB-CB 4.04Å; C155-C159 WeakPolarHBondContact CB-SG 3.38Å; C155-C159 VanDerWaalsContact SG-CA 3.52Å; C155-C159 WeakPolarHBondContact SG-CB 3.16Å; C155-C159 CovalentContact SG-SG 2.03Å; C155-C159 PolarHBondContact SG-SG 3.49Å
156	N	90.6	Very high	95	Very high	147 Å²	147	81.6 Å²	81.6	79%	0.786	43%	0.429	S	S	*	.	S	Bend	trans	-159.2	113.2	174	-176.7	15.1	0	0	0	112.1	R158	N156-R158 PolarHBondContact N-O 3.06Å
157	P	91.8	Very high	94.8	Very high	127 Å²	127	82.9 Å²	82.9	83%	0.825	43%	0.434	S	S	*	.	S	Bend	cis	-75.6	-3.5	-18.5	33.9	-35.6	0	0	0	112.4
158	R	95.9	Very high	94.8	Very high	175 Å²	175	82 Å²	82	66%	0.66	43%	0.431	S	S	*	.	S	Bend	trans	-123.8	148.8	-177.7	-69.7	179.7	-172.8	158.1	2.4	109.6	N156	N156-R158 PolarHBondContact N-O 3.06Å
159	C	96.1	Very high	94.8	Very high	17 Å²	17	79 Å²	79	12%	0.115	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-77.7	133.9	171.4	-60.7	0	0	0	0	111.3	P150 C155 G217 P219	P150-C159 HydrophobicContact CB-CB 4.08Å; P150-C159 HydrophobicContact CG-CB 4.06Å; C155-C159 HydrophobicContact CB-CB 4.04Å; C155-C159 WeakPolarHBondContact CB-SG 3.38Å; C155-C159 VanDerWaalsContact SG-CA 3.52Å; C155-C159 WeakPolarHBondContact SG-CB 3.16Å; C155-C159 CovalentContact SG-SG 2.03Å; C155-C159 PolarHBondContact SG-SG 3.49Å; C159-G217 WeakPolarHBondContact CB-O 3.29Å; C159-G217 PolarHBondContact N-O 2.89Å; C159-G217 WeakPolarHBondContact O-CA 3.21Å; C159-P219 VanDerWaalsContact SG-CD 3.59Å
160	P	95.6	Very high	94.9	Very high	43 Å²	43	79 Å²	79	28%	0.279	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-74.1	136.7	176.3	29.3	-34	0	0	0	111.1	P150 D154 R162	P150-P160 HydrophobicContact CB-CG 4.37Å; D154-P160 HydrophobicContact CB-CG 4.29Å; D154-P160 WeakPolarHBondContact O-CD 3.26Å; P160-R162 HydrophobicContact CB-CG 4.33Å
161	M	94.1	Very high	95	Very high	98 Å²	98	79 Å²	79	48%	0.483	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-80.2	118.2	163.2	178.3	60.9	71.2	0	0	108.3	Y147 T172	Y147-M161 HydrophobicContact CD2-SD 4.11Å; Y147-M161 HydrophobicContact CE2-CE 4.49Å; Y147-M161 HydrophobicContact CE2-SD 3.63Å; M161-T172 HydrophobicContact CE-CG2 4.25Å
162	R	96.1	Very high	95.3	Very high	105 Å²	105	75.4 Å²	75.4	40%	0.396	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	113.6	179.1	-64.7	-175.4	-170.7	-164.9	9.5	109.4	M148 D154 P160	M148-R162 HydrophobicContact CB-CB 3.81Å; M148-R162 PolarHBondContact N-O 3.31Å; D154-R162 IonicContact OD1-NH2 3.54Å; P160-R162 HydrophobicContact CB-CG 4.33Å
163	C	96.9	Very high	95.6	Very high	47 Å²	47	70.8 Å²	70.8	32%	0.318	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	125.8	-179.1	-174.3	0	0	0	0	108.3	D146 A165 C168	D146-C163 CarbonylContact O-C 3.5Å; D146-C163 WeakPolarHBondContact O-CA 3.37Å; C163-A165 PolarHBondContact SG-O 3.45Å; C163-C168 HydrophobicContact CB-CB 3.72Å; C163-C168 WeakPolarHBondContact CB-SG 3.46Å; C163-C168 WeakPolarHBondContact SG-CB 3.28Å; C163-C168 PolarHBondContact SG-N 2.73Å; C163-C168 CovalentContact SG-SG 2.02Å; C163-C168 PolarHBondContact SG-SG 3.27Å
164	S	97.3	Very high	95.9	Very high	95 Å²	95	60.9 Å²	60.9	66%	0.664	34%	0.337	S	S	*	.	S	Bend	trans	-79.9	-21.2	176	46.3	0	0	0	0	113.2	D146	D146-S164 WeakPolarHBondContact CA-OG 3.23Å; D146-S164 VanDerWaalsContact CB-OG 3.31Å; D146-S164 WeakPolarHBondContact CB-OG 3.19Å; D146-S164 PolarHBondContact O-N 2.03Å; D146-S164 PolarHBondContact O-OG 2.89Å; D146-S164 PolarHBondContact OD1-OG 3.25Å
165	A	96	Very high	96.2	Very high	29 Å²	29	58.4 Å²	58.4	24%	0.24	32%	0.324	C	S	.	.	S	Bend	trans	-96.9	170.9	175.9	0	0	0	0	0	112.2	D146 C163 M167	D146-A165 HydrophobicContact CB-CB 3.61Å; D146-A165 WeakPolarHBondContact OD2-CB 3.44Å; C163-A165 PolarHBondContact SG-O 3.45Å; A165-M167 PolarHBondContact O-N 2.78Å
166	P	93.4	Very high	96.4	Very high	140 Å²	140	57.3 Å²	57.3	91%	0.909	32%	0.315	S	S	*	.	S	Bend	trans	-61.9	-21	174.2	-25.3	35.8	0	0	0	114.6
167	M	94.9	Very high	96.8	Very high	86 Å²	86	50.4 Å²	50.4	42%	0.424	28%	0.278	S	S	.	.			trans	-145.9	127.9	-175.2	-160.9	72.8	94.2	0	0	111.6	E143 A165 T169	E143-M167 WeakPolarHBondContact OE1-CG 3.38Å; A165-M167 PolarHBondContact O-N 2.78Å; M167-T169 PolarHBondContact SD-OG1 3.06Å
168	C	97.5	Very high	97.1	Very high	3 Å²	3	47 Å²	47	2%	0.02	26%	0.255	C	S	.	.			trans	-132	1.4	167.4	-64.8	0	0	0	0	112.6	E143 Y147 C163 H170 Y171 T172	E143-C168 HydrophobicContact CB-CB 4.49Å; E143-C168 WeakPolarHBondContact OE2-CA 3.29Å; Y147-C168 HydrophobicContact CD2-CB 4.02Å; Y147-C168 HydrophobicContact CG-CB 4.5Å; C163-C168 HydrophobicContact CB-CB 3.72Å; C163-C168 WeakPolarHBondContact CB-SG 3.46Å; C163-C168 WeakPolarHBondContact SG-CB 3.28Å; C163-C168 PolarHBondContact SG-N 2.73Å; C163-C168 CovalentContact SG-SG 2.02Å; C163-C168 PolarHBondContact SG-SG 3.27Å; C168-H170 VanDerWaalsContact C-N 3.3Å; C168-H170 PolarHBondContact O-N 3.04Å; C168-Y171 PolarHBondContact O-N 3.07Å; C168-T172 PolarHBondContact O-N 3.36Å; C168-T172 VanDerWaalsContact O-N 3.16Å; C168-T172 PolarHBondContact O-OG1 2.92Å
169	T	97.6	Very high	97.2	Very high	51 Å²	51	38.6 Å²	38.6	31%	0.313	22%	0.223	S	C	.	.	H	α-helix	trans	-76.8	-19.9	-169.7	57.6	0	0	0	0	112.4	E143 M167 T172 Q173 N214	E143-T169 PolarHBondContact OE2-N 3.06Å; M167-T169 PolarHBondContact SD-OG1 3.06Å; T169-T172 WeakPolarHBondContact CA-OG1 3.41Å; T169-T172 PolarHBondContact O-OG1 2.98Å; T169-Q173 WeakPolarHBondContact O-CB 3.26Å; T169-Q173 PolarHBondContact O-N 2.96Å; T169-Q173 VanDerWaalsContact O-N 3.11Å; T169-N214 PolarHBondContact O-ND2 3.36Å
170	H	98.7	Very high	97.3	Very high	23 Å²	23	39.4 Å²	39.4	11%	0.106	23%	0.226	C	C	.	.	H	α-helix	trans	-70.9	-45.6	173.4	-54.5	117.5	0	0	0	109.8	N122 W140 E143 C168 Q173 M174	N122-H170 WeakPolarHBondContact ND2-CA 3.33Å; N122-H170 PolarHBondContact ND2-O 3.08Å; W140-H170 HydrophobicContact CB-CB 3.62Å; W140-H170 VanDerWaalsContact CD1-CB 3.5Å; W140-H170 AromaticContact CD1-CD2 3.98Å; W140-H170 AromaticContact CD1-CG 3.55Å; W140-H170 AromaticContact CD1-ND1 3.91Å; W140-H170 HydrophobicContact CG-CB 3.65Å; E143-H170 IonicContact OE1-CE1 2.72Å; E143-H170 IonicContact OE1-CG 3.37Å; E143-H170 IonicContact OE1-ND1 3.89Å; E143-H170 PolarHBondContact OE1-ND1 3.36Å; E143-H170 WeakPolarHBondContact OE2-CA 3.47Å; E143-H170 VanDerWaalsContact OE2-CB 3.29Å; E143-H170 WeakPolarHBondContact OE2-CB 3.49Å; E143-H170 IonicContact OE2-CG 3.95Å; E143-H170 PolarHBondContact OE2-N 3.35Å; E143-H170 IonicContact OE2-ND1 3.26Å; C168-H170 VanDerWaalsContact C-N 3.3Å; C168-H170 PolarHBondContact O-N 3.04Å; H170-Q173 PolarHBondContact O-N 3.16Å; H170-M174 WeakPolarHBondContact O-CG 3.1Å; H170-M174 PolarHBondContact O-N 3.02Å; H170-M174 VanDerWaalsContact O-N 3.1Å
171	Y	98.8	Very high	97.4	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.016	23%	0.232	C	C	.	.	H	α-helix	trans	-56.8	-53.4	174	169.3	-110.6	0	0	0	110.8	V75 W140 Y141 E143 V144 Y147 C168 Q173 M174 V175	V75-Y171 HydrophobicContact CG1-CE2 4.43Å; W140-Y171 WeakPolarHBondContact O-CA 3.39Å; W140-Y171 VanDerWaalsContact O-CB 3.23Å; W140-Y171 WeakPolarHBondContact O-CB 3.02Å; W140-Y171 PolarHBondContact O-N 3.09Å; W140-Y171 VanDerWaalsContact O-N 3.16Å; Y141-Y171 HydrophobicContact CD2-CD2 4.06Å; Y141-Y171 AromaticContact CD2-CE2 3.97Å; Y141-Y171 HydrophobicContact CD2-CE2 3.97Å; Y141-Y171 HydrophobicContact CE2-CE2 4.15Å; E143-Y171 PolarHBondContact OE2-N 3.22Å; V144-Y171 HydrophobicContact CB-CD1 4.34Å; V144-Y171 HydrophobicContact CB-CD2 3.85Å; V144-Y171 HydrophobicContact CB-CE1 4.19Å; V144-Y171 HydrophobicContact CB-CE2 3.68Å; V144-Y171 HydrophobicContact CB-CG 4.18Å; V144-Y171 HydrophobicContact CG2-CD2 4.39Å; V144-Y171 HydrophobicContact CG2-CE1 3.93Å; V144-Y171 HydrophobicContact CG2-CE2 3.75Å; V144-Y171 VanDerWaalsContact CG2-CZ 3.47Å; Y147-Y171 AromaticContact CD1-CD1 3.86Å; Y147-Y171 HydrophobicContact CD1-CD1 3.86Å; Y147-Y171 AromaticContact CD1-CE1 3.51Å; Y147-Y171 HydrophobicContact CD1-CE1 3.51Å; Y147-Y171 HydrophobicContact CE1-CE1 4.07Å; Y147-Y171 AromaticContact CG-CD1 3.96Å; Y147-Y171 HydrophobicContact CG-CD1 3.96Å; Y147-Y171 HydrophobicContact CG-CE1 4.1Å; C168-Y171 PolarHBondContact O-N 3.07Å; Y171-Q173 PolarHBondContact O-N 3.18Å; Y171-M174 WeakPolarHBondContact O-CB 3.25Å; Y171-M174 PolarHBondContact O-N 3.45Å; Y171-V175 HydrophobicContact CD1-CG2 4.29Å; Y171-V175 HydrophobicContact CD2-CG1 4.28Å; Y171-V175 HydrophobicContact CD2-CG2 4.5Å; Y171-V175 HydrophobicContact CE1-CG2 3.86Å; Y171-V175 HydrophobicContact CE2-CG1 3.65Å; Y171-V175 HydrophobicContact CE2-CG2 4.09Å; Y171-V175 WeakPolarHBondContact O-CG2 3.28Å; Y171-V175 PolarHBondContact O-N 2.84Å; Y171-V175 VanDerWaalsContact O-N 3.1Å
172	T	98.6	Very high	97.7	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.8	-29.5	-176.3	57.6	0	0	0	0	112.6	Y147 M161 C168 T169 V175 W176 N214 P220	Y147-T172 HydrophobicContact CD1-CG2 4.5Å; Y147-T172 HydrophobicContact CD2-CG2 3.76Å; Y147-T172 HydrophobicContact CE1-CG2 4.18Å; Y147-T172 HydrophobicContact CE2-CG2 3.42Å; Y147-T172 VanDerWaalsContact CE2-CG2 3.42Å; Y147-T172 HydrophobicContact CG-CG2 4.28Å; M161-T172 HydrophobicContact CE-CG2 4.25Å; C168-T172 PolarHBondContact O-N 3.36Å; C168-T172 VanDerWaalsContact O-N 3.16Å; C168-T172 PolarHBondContact O-OG1 2.92Å; T169-T172 WeakPolarHBondContact CA-OG1 3.41Å; T169-T172 PolarHBondContact O-OG1 2.98Å; T172-V175 CarbonylContact O-C 3.57Å; T172-W176 WeakPolarHBondContact O-CB 3.41Å; T172-W176 PolarHBondContact O-N 2.93Å; T172-N214 WeakPolarHBondContact CB-OD1 3.35Å; T172-N214 PolarHBondContact OG1-OD1 3.42Å; T172-P220 HydrophobicContact CG2-CG 4.47Å
173	Q	98.8	Very high	97.8	Very high	2 Å²	2	32.7 Å²	32.7	1%	0.009	19%	0.19	C	C	.	.	H	α-helix	trans	-68.8	-40.3	171.7	-178.3	56.8	86.4	0	0	112.3	T169 H170 Y171 V175 W176 T179 Y209 N214	T169-Q173 WeakPolarHBondContact O-CB 3.26Å; T169-Q173 PolarHBondContact O-N 2.96Å; T169-Q173 VanDerWaalsContact O-N 3.11Å; H170-Q173 PolarHBondContact O-N 3.16Å; Y171-Q173 PolarHBondContact O-N 3.18Å; Q173-V175 VanDerWaalsContact C-N 3.25Å; Q173-V175 PolarHBondContact O-N 2.87Å; Q173-W176 PolarHBondContact O-N 2.76Å; Q173-T179 PolarHBondContact NE2-OG1 3.1Å; Q173-Y209 HydrophobicContact CG-CD1 4.11Å; Q173-Y209 HydrophobicContact CG-CD2 3.46Å; Q173-Y209 VanDerWaalsContact CG-CD2 3.46Å; Q173-Y209 HydrophobicContact CG-CE1 4.32Å; Q173-Y209 HydrophobicContact CG-CE2 3.7Å; Q173-Y209 HydrophobicContact CG-CG 3.67Å; Q173-N214 PolarHBondContact N-OD1 2.77Å
174	M	98.9	Very high	97.9	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-60.7	-38.6	176.5	-66	-179.2	73.1	0	0	111.5	Y71 R76 V137 W140 H170 Y171	Y71-M174 HydrophobicContact CD1-CE 3.91Å; Y71-M174 HydrophobicContact CE1-CE 3.91Å; R76-M174 VanDerWaalsContact CG-O 3.31Å; R76-M174 WeakPolarHBondContact CG-O 3.44Å; R76-M174 PolarHBondContact NH1-O 2.95Å; V137-M174 HydrophobicContact CG1-CE 3.87Å; W140-M174 HydrophobicContact CB-CG 4.42Å; W140-M174 HydrophobicContact CB-SD 3.45Å; W140-M174 WeakPolarHBondContact CB-SD 3.15Å; W140-M174 HydrophobicContact CE3-SD 4.3Å; H170-M174 WeakPolarHBondContact O-CG 3.1Å; H170-M174 PolarHBondContact O-N 3.02Å; H170-M174 VanDerWaalsContact O-N 3.1Å; Y171-M174 WeakPolarHBondContact O-CB 3.25Å; Y171-M174 PolarHBondContact O-N 3.45Å
175	V	98.8	Very high	97.9	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.144	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	17.8	-177.5	-58.8	0	0	0	0	114	V75 V79 M86 Y171 T172 Q173 A177 P220 Y221	V75-V175 HydrophobicContact CG1-CG1 3.63Å; V79-V175 HydrophobicContact CG1-CB 3.88Å; V79-V175 HydrophobicContact CG1-CG1 3.44Å; V79-V175 VanDerWaalsContact CG1-CG1 3.44Å; M86-V175 HydrophobicContact CE-CB 4.24Å; M86-V175 VanDerWaalsContact CE-O 3.27Å; M86-V175 WeakPolarHBondContact CE-O 3.34Å; Y171-V175 HydrophobicContact CD1-CG2 4.29Å; Y171-V175 HydrophobicContact CD2-CG1 4.28Å; Y171-V175 HydrophobicContact CD2-CG2 4.5Å; Y171-V175 HydrophobicContact CE1-CG2 3.86Å; Y171-V175 HydrophobicContact CE2-CG1 3.65Å; Y171-V175 HydrophobicContact CE2-CG2 4.09Å; Y171-V175 WeakPolarHBondContact O-CG2 3.28Å; Y171-V175 PolarHBondContact O-N 2.84Å; Y171-V175 VanDerWaalsContact O-N 3.1Å; T172-V175 CarbonylContact O-C 3.57Å; Q173-V175 VanDerWaalsContact C-N 3.25Å; Q173-V175 PolarHBondContact O-N 2.87Å; V175-A177 PolarHBondContact O-N 3.07Å; V175-P220 HydrophobicContact CG2-CB 4.09Å; V175-P220 HydrophobicContact CG2-CG 4.4Å; V175-Y221 HydrophobicContact CB-CD1 4.45Å; V175-Y221 HydrophobicContact CB-CE1 4.34Å; V175-Y221 HydrophobicContact CG2-CD1 4.38Å; V175-Y221 HydrophobicContact CG2-CE1 4.12Å; V175-Y221 WeakPolarHBondContact O-CD1 3.45Å
176	W	98.8	Very high	98	Very high	12 Å²	12	25.4 Å²	25.4	5%	0.045	14%	0.137	C	C	.	.			trans	-73.3	115	178.9	-159.3	-89.3	0	0	0	110.7	R76 T172 Q173 T178 T179 G213 N214 W215 E218 P220	R76-W176 PolarHBondContact NH1-O 3.27Å; R76-W176 PolarHBondContact NH2-O 2.03Å; R76-W176 VanDerWaalsContact NH2-O 3.16Å; T172-W176 WeakPolarHBondContact O-CB 3.41Å; T172-W176 PolarHBondContact O-N 2.93Å; Q173-W176 PolarHBondContact O-N 2.76Å; W176-T178 VanDerWaalsContact C-N 3.32Å; W176-T178 VanDerWaalsContact CD1-OG1 3.29Å; W176-T178 PolarHBondContact NE1-OG1 2.96Å; W176-T178 PolarHBondContact O-N 3.1Å; W176-T179 WeakPolarHBondContact O-CB 3.46Å; W176-T179 PolarHBondContact O-N 3.38Å; W176-G213 VanDerWaalsContact CD2-CA 3.43Å; W176-G213 VanDerWaalsContact CG-CA 3.4Å; W176-N214 VanDerWaalsContact CD2-N 3.33Å; W176-W215 HydrophobicContact CH2-CB 4.23Å; W176-W215 VanDerWaalsContact CH2-N 3.28Å; W176-W215 HydrophobicContact CZ2-CB 3.98Å; W176-W215 AromaticContact CZ2-CD1 3.8Å; W176-W215 HydrophobicContact CZ2-CG 4.31Å; W176-E218 HydrophobicContact CH2-CB 3.89Å; W176-E218 HydrophobicContact CZ2-CB 4.05Å; W176-P220 CarbonylContact C-O 3.52Å; W176-P220 WeakPolarHBondContact CA-O 3.4Å; W176-P220 HydrophobicContact CD2-CB 4.5Å; W176-P220 VanDerWaalsContact CE3-CA 3.44Å; W176-P220 HydrophobicContact CE3-CB 3.76Å; W176-P220 HydrophobicContact CZ3-CB 4.07Å
177	A	98.4	Very high	98.2	Very high	2 Å²	2	20 Å²	20	2%	0.017	10%	0.1	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.9	-47.3	-168.8	0	0	0	0	0	113.2	R76 M86 E87 V175 P220	R76-A177 PolarHBondContact NH2-O 2.95Å; M86-A177 HydrophobicContact SD-CB 4.41Å; E87-A177 WeakPolarHBondContact CB-O 3.29Å; E87-A177 WeakPolarHBondContact CG-O 3.42Å; E87-A177 PolarHBondContact N-O 2.96Å; E87-A177 VanDerWaalsContact N-O 3.07Å; V175-A177 PolarHBondContact O-N 3.07Å; A177-P220 PolarHBondContact N-O 3.38Å
178	T	97.9	Very high	98.2	Very high	54 Å²	54	19 Å²	19	33%	0.331	10%	0.099	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.6	-14.1	-175.8	57.8	0	0	0	0	113.7	W176 N180 P211	W176-T178 VanDerWaalsContact C-N 3.32Å; W176-T178 VanDerWaalsContact CD1-OG1 3.29Å; W176-T178 PolarHBondContact NE1-OG1 2.96Å; W176-T178 PolarHBondContact O-N 3.1Å; T178-N180 PolarHBondContact O-N 3.19Å; T178-P211 VanDerWaalsContact O-CD 3.29Å; T178-P211 WeakPolarHBondContact O-CD 3.3Å
179	T	98.6	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.098	C	C	.	.			trans	-74.8	99.5	175.8	-62.5	0	0	0	0	108.8	R76 M89 Q173 W176 Y209 P211	R76-T179 PolarHBondContact NH1-O 2.79Å; R76-T179 PolarHBondContact NH2-O 3.45Å; M89-T179 HydrophobicContact CE-CG2 3.95Å; M89-T179 VanDerWaalsContact CE-O 3.27Å; M89-T179 WeakPolarHBondContact CE-O 3.02Å; Q173-T179 PolarHBondContact NE2-OG1 3.1Å; W176-T179 WeakPolarHBondContact O-CB 3.46Å; W176-T179 PolarHBondContact O-N 3.38Å; T179-Y209 HydrophobicContact CG2-CD1 3.91Å; T179-Y209 HydrophobicContact CG2-CG 4.21Å; T179-P211 WeakPolarHBondContact CB-O 2.98Å; T179-P211 PolarHBondContact OG1-O 3.34Å
180	N	97.6	Very high	98.2	Very high	34 Å²	34	20.2 Å²	20.2	18%	0.182	11%	0.109	C	C	.	.			trans	-109.4	3.6	-175.4	65	13.6	0	0	0	113.6	E87 M89 V90 T178 S210 Y234	E87-N180 HydrophobicContact CB-CB 3.99Å; E87-N180 PolarHBondContact OE2-ND2 3.3Å; M89-N180 CarbonylContact C-O 3.56Å; M89-N180 WeakPolarHBondContact CA-O 3.37Å; V90-N180 WeakPolarHBondContact CG2-O 2.95Å; V90-N180 PolarHBondContact N-O 3.4Å; T178-N180 PolarHBondContact O-N 3.19Å; N180-S210 PolarHBondContact N-O 3.32Å; N180-Y234 PolarHBondContact ND2-OH 3.09Å
181	R	98.6	Very high	98	Very high	104 Å²	104	23.6 Å²	23.6	39%	0.392	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	138.1	176.5	-68.2	164.9	-172.6	-96.2	-6	111.3	V90 D92 L95 Y209 S210	V90-R181 HydrophobicContact CG2-CG 3.92Å; V90-R181 WeakPolarHBondContact O-CA 3.39Å; D92-R181 HydrophobicContact CB-CB 4Å; D92-R181 HydrophobicContact CB-CG 4.32Å; D92-R181 IonicContact OD2-CZ 3.25Å; D92-R181 IonicContact OD2-NH1 3.8Å; D92-R181 PolarHBondContact OD2-NH1 3.25Å; L95-R181 HydrophobicContact CD1-CB 3.85Å; R181-Y209 WeakPolarHBondContact O-CA 3.4Å; R181-S210 WeakPolarHBondContact CB-O 3.31Å; R181-S210 PolarHBondContact N-O 3.11Å; R181-S210 PolarHBondContact O-N 3.43Å
182	V	98.8	Very high	98	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	13%	0.128	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	144.4	171.6	66.3	0	0	0	0	110.5	L69 M89 V90 W91 D92 C207 N208 Y209	L69-V182 HydrophobicContact CD1-CG1 3.89Å; M89-V182 HydrophobicContact CG-CB 4.23Å; M89-V182 HydrophobicContact CG-CG1 3.88Å; M89-V182 HydrophobicContact SD-CB 3.62Å; M89-V182 HydrophobicContact SD-CG1 3.51Å; M89-V182 VanDerWaalsContact SD-CG1 3.51Å; V90-V182 PolarHBondContact O-N 3.01Å; W91-V182 CarbonylContact C-O 3.57Å; W91-V182 WeakPolarHBondContact CA-O 2.96Å; W91-V182 HydrophobicContact CE3-CG1 4.19Å; D92-V182 PolarHBondContact N-O 3.46Å; V182-C207 HydrophobicContact CG2-CB 4.38Å; V182-N208 WeakPolarHBondContact CA-O 3.41Å; V182-Y209 HydrophobicContact CB-CD1 4.18Å; V182-Y209 HydrophobicContact CB-CE1 4.25Å; V182-Y209 HydrophobicContact CG2-CD1 3.89Å; V182-Y209 HydrophobicContact CG2-CE1 3.63Å
183	G	98.6	Very high	97.9	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	134.1	168.3	0	0	0	0	0	110.3	N208	G183-N208 PolarHBondContact N-O 3.19Å; G183-N208 PolarHBondContact O-N 2.77Å
184	C	98.7	Very high	97.8	Very high	1 Å²	1	27.3 Å²	27.3	1%	0.007	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	161.3	-171.9	-46.4	0	0	0	0	112.8	I60 I68 W91 L205 V206 C207	I60-C184 HydrophobicContact CD1-CB 4.28Å; I68-C184 HydrophobicContact CD1-CB 3.94Å; W91-C184 HydrophobicContact CH2-CB 3.75Å; W91-C184 HydrophobicContact CZ3-CB 4.25Å; C184-L205 HydrophobicContact CB-CD1 3.98Å; C184-V206 CarbonylContact C-O 3.53Å; C184-V206 WeakPolarHBondContact CA-O 3.19Å; C184-V206 VanDerWaalsContact CB-O 3.27Å; C184-V206 WeakPolarHBondContact CB-O 3.43Å; C184-C207 HydrophobicContact CB-CB 4.02Å; C184-C207 WeakPolarHBondContact CB-SG 3.39Å; C184-C207 VanDerWaalsContact SG-CA 3.51Å; C184-C207 WeakPolarHBondContact SG-CB 3.33Å; C184-C207 CovalentContact SG-SG 2.03Å; C184-C207 PolarHBondContact SG-SG 2.96Å
185	A	98.3	Very high	97.6	Very high	2 Å²	2	36.2 Å²	36.2	2%	0.017	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147.1	170.1	0	0	0	0	0	110.8	W59 A99 E100 A103 L205 V206	W59-A185 HydrophobicContact CB-CB 4.35Å; A99-A185 HydrophobicContact CB-CB 4.15Å; E100-A185 HydrophobicContact CB-CB 3.78Å; E100-A185 VanDerWaalsContact N-CB 3.28Å; A103-A185 HydrophobicContact CB-CB 4.41Å; A185-L205 WeakPolarHBondContact O-CD1 3.31Å; A185-V206 PolarHBondContact N-O 2.86Å; A185-V206 PolarHBondContact O-N 3.38Å
186	V	97.8	Very high	97.5	Very high	15 Å²	15	39.9 Å²	39.9	9%	0.091	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134	173.9	62.4	0	0	0	0	110.1	W59 Y130 I133 L136 T203 Y204 L205	W59-V186 WeakPolarHBondContact O-CG1 3.41Å; W59-V186 PolarHBondContact O-N 3.3Å; W59-V186 VanDerWaalsContact O-O 3.05Å; Y130-V186 HydrophobicContact CE1-CG1 4.35Å; Y130-V186 HydrophobicContact CE1-CG2 3.95Å; I133-V186 HydrophobicContact CD1-CB 4.4Å; L136-V186 HydrophobicContact CD1-CG2 4.5Å; V186-T203 HydrophobicContact CG2-CG2 3.53Å; V186-Y204 CarbonylContact C-O 3.57Å; V186-Y204 WeakPolarHBondContact CA-O 3.31Å; V186-L205 HydrophobicContact CB-CD1 4.49Å
187	Q	96.8	Very high	97.4	Very high	26 Å²	26	41.5 Å²	41.5	12%	0.121	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	135.5	178.8	173.5	70.7	54.8	0	0	109	W59 A103 C189 T203 Y204	W59-Q187 VanDerWaalsContact CE3-OE1 3.31Å; W59-Q187 VanDerWaalsContact CH2-OE1 3.26Å; W59-Q187 VanDerWaalsContact CZ3-CD 3.41Å; A103-Q187 HydrophobicContact CB-CB 3.82Å; A103-Q187 WeakPolarHBondContact O-CG 3.39Å; Q187-C189 WeakPolarHBondContact CG-SG 3.27Å; Q187-T203 WeakPolarHBondContact O-CA 3.45Å; Q187-Y204 PolarHBondContact N-O 3.16Å; Q187-Y204 PolarHBondContact O-N 3.42Å
188	T	96.4	Very high	97.3	Very high	67 Å²	67	46.9 Å²	46.9	41%	0.411	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	115.7	162.6	-55.9	0	0	0	0	108.9	A202	T188-A202 CarbonylContact C-O 3.56Å; T188-A202 WeakPolarHBondContact CA-O 3.39Å
189	C	97.1	Very high	97.3	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.007	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	122	-179.7	-65.9	0	0	0	0	110.2	C106 Q187 N191 M192 Q201 A202	C106-C189 WeakPolarHBondContact CA-SG 3.32Å; C106-C189 HydrophobicContact CB-CB 3.65Å; C106-C189 WeakPolarHBondContact CB-SG 3.27Å; C106-C189 WeakPolarHBondContact SG-CA 3.49Å; C106-C189 WeakPolarHBondContact SG-CB 3.37Å; C106-C189 CovalentContact SG-SG 2.03Å; C106-C189 PolarHBondContact SG-SG 2.93Å; Q187-C189 WeakPolarHBondContact CG-SG 3.27Å; C189-N191 VanDerWaalsContact C-N 3.27Å; C189-N191 PolarHBondContact O-N 2.94Å; C189-M192 HydrophobicContact CB-CB 3.98Å; C189-M192 HydrophobicContact CB-SD 4.08Å; C189-Q201 CarbonylContact O-C 3.54Å; C189-Q201 WeakPolarHBondContact O-CA 3.25Å; C189-Q201 PolarHBondContact O-N 3.46Å; C189-A202 HydrophobicContact CB-CB 4.39Å; C189-A202 PolarHBondContact N-O 3.1Å; C189-A202 PolarHBondContact O-N 3.45Å
190	S	96.9	Very high	97.1	Very high	77 Å²	77	56.1 Å²	56.1	54%	0.538	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.3	-42.5	179.3	-62.5	0	0	0	0	112.1	R200 Q201	S190-R200 VanDerWaalsContact O-CA 3.3Å; S190-R200 WeakPolarHBondContact O-CA 3.49Å; S190-Q201 PolarHBondContact O-N 2.92Å
191	N	95.7	Very high	97.1	Very high	94 Å²	94	59.3 Å²	59.3	50%	0.503	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	131.5	176.1	-65.7	-55.1	0	0	0	108.2	C189 M198 W199	C189-N191 VanDerWaalsContact C-N 3.27Å; C189-N191 PolarHBondContact O-N 2.94Å; N191-M198 HydrophobicContact CB-SD 3.73Å; N191-W199 WeakPolarHBondContact CA-O 3.44Å
192	M	97.2	Very high	97	Very high	4 Å²	4	54.3 Å²	54.3	2%	0.02	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	130.1	178.7	-179.2	167.7	165.4	0	0	108.7	C106 W108 V125 C189 V194 W199 A202 Y204	C106-M192 WeakPolarHBondContact O-CG 3.28Å; W108-M192 HydrophobicContact CB-CE 3.48Å; W108-M192 VanDerWaalsContact CB-CE 3.48Å; W108-M192 HydrophobicContact CD2-CE 4.13Å; W108-M192 HydrophobicContact CE3-CE 3.61Å; W108-M192 HydrophobicContact CG-CE 4.12Å; V125-M192 HydrophobicContact CG2-CE 4.18Å; V125-M192 HydrophobicContact CG2-SD 4.42Å; C189-M192 HydrophobicContact CB-CB 3.98Å; C189-M192 HydrophobicContact CB-SD 4.08Å; M192-V194 HydrophobicContact CB-CG2 4.49Å; M192-V194 HydrophobicContact CE-CG2 4.29Å; M192-V194 HydrophobicContact CG-CG2 3.92Å; M192-V194 PolarHBondContact O-N 3.2Å; M192-W199 PolarHBondContact N-O 3.35Å; M192-W199 PolarHBondContact O-N 2.83Å; M192-A202 HydrophobicContact CB-CB 4.08Å; M192-A202 HydrophobicContact SD-CB 4.23Å; M192-Y204 HydrophobicContact CE-CD1 3.83Å; M192-Y204 HydrophobicContact CE-CD2 3.84Å; M192-Y204 HydrophobicContact CE-CE1 4.06Å; M192-Y204 HydrophobicContact CE-CE2 4.1Å; M192-Y204 HydrophobicContact CE-CG 3.7Å; M192-Y204 HydrophobicContact SD-CD1 4.16Å; M192-Y204 HydrophobicContact SD-CG 4.12Å
193	V	97.6	Very high	97	Very high	80 Å²	80	54.4 Å²	54.4	49%	0.485	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	118.2	175.6	-180	0	0	0	0	108.1	W108 A197 M198	W108-V193 VanDerWaalsContact CB-O 3.28Å; W108-V193 WeakPolarHBondContact CB-O 3.4Å; V193-A197 CarbonylContact C-O 3.42Å; V193-A197 WeakPolarHBondContact CA-O 3.41Å; V193-M198 HydrophobicContact CG2-CE 3.68Å; V193-M198 HydrophobicContact CG2-SD 4.17Å
194	V	97	Very high	96.9	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	121.3	-179.6	-172.9	0	0	0	0	107.5	W108 V125 M192 G196 A197 W199	W108-V194 HydrophobicContact CB-CG2 4.28Å; W108-V194 HydrophobicContact CD2-CG1 4.13Å; W108-V194 HydrophobicContact CG-CB 4.36Å; W108-V194 HydrophobicContact CG-CG1 3.93Å; W108-V194 HydrophobicContact CG-CG2 4.28Å; V125-V194 HydrophobicContact CG1-CG1 3.64Å; V125-V194 HydrophobicContact CG1-CG2 4.34Å; V125-V194 HydrophobicContact CG2-CG2 4.05Å; M192-V194 HydrophobicContact CB-CG2 4.49Å; M192-V194 HydrophobicContact CE-CG2 4.29Å; M192-V194 HydrophobicContact CG-CG2 3.92Å; M192-V194 PolarHBondContact O-N 3.2Å; V194-G196 PolarHBondContact O-N 3.28Å; V194-A197 PolarHBondContact N-O 3.01Å; V194-A197 PolarHBondContact O-N 3.06Å; V194-W199 HydrophobicContact CB-CD2 3.91Å; V194-W199 HydrophobicContact CB-CE3 4.44Å; V194-W199 HydrophobicContact CB-CG 4.02Å; V194-W199 HydrophobicContact CB-CZ2 4.48Å; V194-W199 HydrophobicContact CG1-CD2 4.41Å; V194-W199 HydrophobicContact CG1-CZ2 4.29Å; V194-W199 HydrophobicContact CG2-CB 4.21Å; V194-W199 HydrophobicContact CG2-CD2 3.95Å; V194-W199 HydrophobicContact CG2-CE3 4.19Å; V194-W199 HydrophobicContact CG2-CG 3.94Å
195	W	94.9	Very high	96.9	Very high	186 Å²	186	54.3 Å²	54.3	71%	0.705	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	42.6	-177.5	-52.3	-59.9	0	0	0	113.9	W108 V125 A197 W199	W108-W195 AromaticContact CZ2-CZ2 3.82Å; W108-W195 HydrophobicContact CZ2-CZ2 3.82Å; W108-W195 AromaticContact NE1-CD1 3.89Å; W108-W195 AromaticContact NE1-CE2 3.65Å; W108-W195 AromaticContact NE1-NE1 3.41Å; V125-W195 HydrophobicContact CG1-CH2 4.16Å; W195-A197 VanDerWaalsContact C-N 3.27Å; W195-A197 PolarHBondContact O-N 2.02Å; W195-W199 HydrophobicContact CE3-CH2 4.32Å; W195-W199 AromaticContact CE3-CZ2 3.91Å; W195-W199 HydrophobicContact CE3-CZ2 3.91Å; W195-W199 AromaticContact CZ3-CH2 3.62Å; W195-W199 HydrophobicContact CZ3-CH2 3.62Å; W195-W199 AromaticContact CZ3-CZ2 3.67Å; W195-W199 HydrophobicContact CZ3-CZ2 3.67Å
196	G	96.1	Very high	97	Very high	77 Å²	77	54.2 Å²	54.2	79%	0.794	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.5	-1.7	179.2	0	0	0	0	0	115.4	V194	V194-G196 PolarHBondContact O-N 3.28Å
197	A	96.7	Very high	97	Very high	46 Å²	46	53.5 Å²	53.5	38%	0.38	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143.7	178.2	0	0	0	0	0	112	V193 V194 W195 W199	V193-A197 CarbonylContact C-O 3.42Å; V193-A197 WeakPolarHBondContact CA-O 3.41Å; V194-A197 PolarHBondContact N-O 3.01Å; V194-A197 PolarHBondContact O-N 3.06Å; W195-A197 VanDerWaalsContact C-N 3.27Å; W195-A197 PolarHBondContact O-N 2.02Å; A197-W199 PolarHBondContact O-N 3.33Å
198	M	96.7	Very high	97.1	Very high	115 Å²	115	52.3 Å²	52.3	57%	0.567	28%	0.278	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.7	116.3	175.6	-175	64	70	0	0	110.9	N191 V193	N191-M198 HydrophobicContact CB-SD 3.73Å; V193-M198 HydrophobicContact CG2-CE 3.68Å; V193-M198 HydrophobicContact CG2-SD 4.17Å
199	W	97.1	Very high	97.2	Very high	59 Å²	59	49.1 Å²	49.1	22%	0.223	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.9	176.1	-71.3	31.9	0	0	0	109.6	V125 N191 M192 V194 W195 A197 A202	V125-W199 HydrophobicContact CG1-CZ3 4.25Å; V125-W199 HydrophobicContact CG2-CE3 4.22Å; V125-W199 HydrophobicContact CG2-CZ3 4.31Å; N191-W199 WeakPolarHBondContact CA-O 3.44Å; M192-W199 PolarHBondContact N-O 3.35Å; M192-W199 PolarHBondContact O-N 2.83Å; V194-W199 HydrophobicContact CB-CD2 3.91Å; V194-W199 HydrophobicContact CB-CE3 4.44Å; V194-W199 HydrophobicContact CB-CG 4.02Å; V194-W199 HydrophobicContact CB-CZ2 4.48Å; V194-W199 HydrophobicContact CG1-CD2 4.41Å; V194-W199 HydrophobicContact CG1-CZ2 4.29Å; V194-W199 HydrophobicContact CG2-CB 4.21Å; V194-W199 HydrophobicContact CG2-CD2 3.95Å; V194-W199 HydrophobicContact CG2-CE3 4.19Å; V194-W199 HydrophobicContact CG2-CG 3.94Å; W195-W199 HydrophobicContact CE3-CH2 4.32Å; W195-W199 AromaticContact CE3-CZ2 3.91Å; W195-W199 HydrophobicContact CE3-CZ2 3.91Å; W195-W199 AromaticContact CZ3-CH2 3.62Å; W195-W199 HydrophobicContact CZ3-CH2 3.62Å; W195-W199 AromaticContact CZ3-CZ2 3.67Å; W195-W199 HydrophobicContact CZ3-CZ2 3.67Å; A197-W199 PolarHBondContact O-N 3.33Å; W199-A202 HydrophobicContact CB-CB 4.14Å
200	R	95.6	Very high	97.3	Very high	190 Å²	190	50.9 Å²	50.9	72%	0.717	27%	0.27	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.8	138.8	175.4	-65.1	-173.1	178.5	-164.9	0.5	110.1	S190 A202	S190-R200 VanDerWaalsContact O-CA 3.3Å; S190-R200 WeakPolarHBondContact O-CA 3.49Å; R200-A202 VanDerWaalsContact C-N 3.3Å; R200-A202 PolarHBondContact O-N 3.18Å
201	Q	96.1	Very high	97.3	Very high	100 Å²	100	50.1 Å²	50.1	47%	0.467	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	53.4	48.3	-179	-59.8	-63.8	-45.8	0	0	111.8	G128 C189 S190 T203	G128-Q201 WeakPolarHBondContact CA-O 3.39Å; G128-Q201 PolarHBondContact N-O 3.33Å; C189-Q201 CarbonylContact O-C 3.54Å; C189-Q201 WeakPolarHBondContact O-CA 3.25Å; C189-Q201 PolarHBondContact O-N 3.46Å; S190-Q201 PolarHBondContact O-N 2.92Å; Q201-T203 PolarHBondContact O-N 3.08Å
202	A	97.3	Very high	97.4	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	124	178.6	0	0	0	0	0	110	V125 R126 T188 C189 M192 W199 R200	V125-A202 HydrophobicContact CG2-CB 4.06Å; R126-A202 CarbonylContact O-C 3.53Å; R126-A202 WeakPolarHBondContact O-CA 3.41Å; T188-A202 CarbonylContact C-O 3.56Å; T188-A202 WeakPolarHBondContact CA-O 3.39Å; C189-A202 HydrophobicContact CB-CB 4.39Å; C189-A202 PolarHBondContact N-O 3.1Å; C189-A202 PolarHBondContact O-N 3.45Å; M192-A202 HydrophobicContact CB-CB 4.08Å; M192-A202 HydrophobicContact SD-CB 4.23Å; W199-A202 HydrophobicContact CB-CB 4.14Å; R200-A202 VanDerWaalsContact C-N 3.3Å; R200-A202 PolarHBondContact O-N 3.18Å
203	T	97.7	Very high	97.5	Very high	1 Å²	1	48.1 Å²	48.1	1%	0.006	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	118.2	165.8	-67	0	0	0	0	108.1	V125 R126 G128 Y130 L136 V186 Q187 Q201	V125-T203 VanDerWaalsContact CA-O 3.3Å; V125-T203 WeakPolarHBondContact CA-O 3.4Å; R126-T203 PolarHBondContact N-O 2.94Å; R126-T203 PolarHBondContact O-N 3.21Å; G128-T203 WeakPolarHBondContact O-CB 3.44Å; G128-T203 PolarHBondContact O-OG1 3.37Å; Y130-T203 HydrophobicContact CD1-CG2 3.7Å; Y130-T203 HydrophobicContact CE1-CG2 4.22Å; L136-T203 HydrophobicContact CD1-CG2 3.78Å; V186-T203 HydrophobicContact CG2-CG2 3.53Å; Q187-T203 WeakPolarHBondContact O-CA 3.45Å; Q201-T203 PolarHBondContact O-N 3.08Å
204	Y	98.1	Very high	97.5	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	120.4	-176.8	179.3	-151.3	0	0	0	110.2	A103 L107 W108 E109 L123 S124 V186 Q187 M192 V206	A103-Y204 HydrophobicContact CB-CD1 4.43Å; L107-Y204 WeakPolarHBondContact O-CE1 3.03Å; L107-Y204 PolarHBondContact O-OH 3.19Å; W108-Y204 HydrophobicContact CE3-CD2 4.01Å; W108-Y204 AromaticContact CE3-CE2 3.64Å; W108-Y204 HydrophobicContact CE3-CE2 3.64Å; W108-Y204 AromaticContact CZ3-CD2 3.94Å; W108-Y204 HydrophobicContact CZ3-CD2 3.94Å; W108-Y204 AromaticContact CZ3-CE2 3.64Å; W108-Y204 HydrophobicContact CZ3-CE2 3.64Å; E109-Y204 PolarHBondContact O-OH 3.02Å; L123-Y204 HydrophobicContact CB-CE2 4.16Å; L123-Y204 HydrophobicContact CD1-CE2 4.43Å; L123-Y204 HydrophobicContact CD2-CE2 3.93Å; L123-Y204 WeakPolarHBondContact CD2-OH 3.03Å; L123-Y204 HydrophobicContact CG-CE2 4.4Å; S124-Y204 WeakPolarHBondContact O-CD2 3.37Å; V186-Y204 CarbonylContact C-O 3.57Å; V186-Y204 WeakPolarHBondContact CA-O 3.31Å; Q187-Y204 PolarHBondContact N-O 3.16Å; Q187-Y204 PolarHBondContact O-N 3.42Å; M192-Y204 HydrophobicContact CE-CD1 3.83Å; M192-Y204 HydrophobicContact CE-CD2 3.84Å; M192-Y204 HydrophobicContact CE-CE1 4.06Å; M192-Y204 HydrophobicContact CE-CE2 4.1Å; M192-Y204 HydrophobicContact CE-CG 3.7Å; M192-Y204 HydrophobicContact SD-CD1 4.16Å; M192-Y204 HydrophobicContact SD-CG 4.12Å; Y204-V206 HydrophobicContact CD1-CG2 4.26Å; Y204-V206 HydrophobicContact CD2-CG2 4.36Å; Y204-V206 HydrophobicContact CE1-CG2 3.74Å; Y204-V206 HydrophobicContact CE2-CG2 3.81Å; Y204-V206 VanDerWaalsContact CZ-CG2 3.49Å
205	L	98.7	Very high	97.5	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	127.9	174.5	174.6	65.3	0	0	0	109.5	I68 L123 S124 I133 L136 V137 W140 C184 A185 V186	I68-L205 HydrophobicContact CD1-CD1 4.3Å; L123-L205 WeakPolarHBondContact CA-O 3.14Å; S124-L205 PolarHBondContact N-O 3.26Å; S124-L205 PolarHBondContact O-N 3.38Å; I133-L205 HydrophobicContact CD1-CD1 4.29Å; I133-L205 HydrophobicContact CD1-CD2 4.46Å; L136-L205 HydrophobicContact CB-CB 4.2Å; L136-L205 HydrophobicContact CB-CD2 3.58Å; L136-L205 HydrophobicContact CD1-CB 3.87Å; L136-L205 HydrophobicContact CD1-CD2 4.33Å; L136-L205 HydrophobicContact CD2-CB 4.42Å; L136-L205 HydrophobicContact CG-CB 4.39Å; V137-L205 HydrophobicContact CG2-CD2 3.7Å; W140-L205 HydrophobicContact CH2-CD2 3.61Å; W140-L205 HydrophobicContact CH2-CG 4.04Å; W140-L205 HydrophobicContact CZ2-CD2 4.16Å; W140-L205 HydrophobicContact CZ2-CG 4.5Å; W140-L205 HydrophobicContact CZ3-CD2 4.31Å; C184-L205 HydrophobicContact CB-CD1 3.98Å; A185-L205 WeakPolarHBondContact O-CD1 3.31Å; V186-L205 HydrophobicContact CB-CD1 4.49Å
206	V	98.8	Very high	97.5	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	126.2	170.5	-177.7	0	0	0	0	107.7	A99 A103 Q121 L123 C184 A185 Y204	A99-V206 HydrophobicContact CB-CB 4.16Å; A99-V206 HydrophobicContact CB-CG1 3.91Å; A103-V206 HydrophobicContact CB-CB 4.3Å; A103-V206 HydrophobicContact CB-CG2 3.68Å; Q121-V206 HydrophobicContact CG-CG1 4.1Å; L123-V206 HydrophobicContact CD2-CB 4.16Å; L123-V206 HydrophobicContact CD2-CG1 3.9Å; L123-V206 HydrophobicContact CD2-CG2 3.85Å; C184-V206 CarbonylContact C-O 3.53Å; C184-V206 WeakPolarHBondContact CA-O 3.19Å; C184-V206 VanDerWaalsContact CB-O 3.27Å; C184-V206 WeakPolarHBondContact CB-O 3.43Å; A185-V206 PolarHBondContact N-O 2.86Å; A185-V206 PolarHBondContact O-N 3.38Å; Y204-V206 HydrophobicContact CD1-CG2 4.26Å; Y204-V206 HydrophobicContact CD2-CG2 4.36Å; Y204-V206 HydrophobicContact CE1-CG2 3.74Å; Y204-V206 HydrophobicContact CE2-CG2 3.81Å; Y204-V206 VanDerWaalsContact CZ-CG2 3.49Å
207	C	98.9	Very high	97.5	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	124.2	170.9	-77.1	0	0	0	0	109.9	Q121 N122 W140 V182 C184 Y209	Q121-C207 CarbonylContact C-O 3.53Å; Q121-C207 VanDerWaalsContact CA-O 3.25Å; Q121-C207 WeakPolarHBondContact CA-O 3.29Å; N122-C207 PolarHBondContact N-O 2.97Å; N122-C207 PolarHBondContact O-N 3.16Å; W140-C207 HydrophobicContact CH2-CB 3.84Å; W140-C207 HydrophobicContact CZ3-CB 4.11Å; V182-C207 HydrophobicContact CG2-CB 4.38Å; C184-C207 HydrophobicContact CB-CB 4.02Å; C184-C207 WeakPolarHBondContact CB-SG 3.39Å; C184-C207 VanDerWaalsContact SG-CA 3.51Å; C184-C207 WeakPolarHBondContact SG-CB 3.33Å; C184-C207 CovalentContact SG-SG 2.03Å; C184-C207 PolarHBondContact SG-SG 2.96Å; C207-Y209 HydrophobicContact CB-CE2 3.93Å; C207-Y209 WeakPolarHBondContact O-CE2 3.44Å
208	N	98.9	Very high	97.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	144.5	175	-72.1	-22.9	0	0	0	110.5	L95 S98 A99 L119 G120 Q121 V182 G183	L95-N208 HydrophobicContact CB-CB 4.1Å; L95-N208 HydrophobicContact CD2-CB 4.25Å; L95-N208 PolarHBondContact O-ND2 3Å; S98-N208 PolarHBondContact OG-ND2 2.87Å; A99-N208 PolarHBondContact N-ND2 3.45Å; L119-N208 HydrophobicContact CD1-CB 4.34Å; G120-N208 CarbonylContact O-C 3.49Å; G120-N208 WeakPolarHBondContact O-CA 3.43Å; Q121-N208 WeakPolarHBondContact CG-OD1 3.43Å; Q121-N208 PolarHBondContact NE2-OD1 3.11Å; V182-N208 WeakPolarHBondContact CA-O 3.41Å; G183-N208 PolarHBondContact N-O 3.19Å; G183-N208 PolarHBondContact O-N 2.77Å
209	Y	98.9	Very high	97.6	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	138.5	-172.5	-63	-87	0	0	0	111.1	H72 M89 L119 G120 N122 Q173 T179 R181 V182 C207	H72-Y209 AromaticContact CD2-CE1 3.95Å; H72-Y209 AromaticContact NE2-CE1 3.55Å; H72-Y209 AromaticContact NE2-CZ 3.77Å; H72-Y209 PolarHBondContact NE2-OH 2.83Å; H72-Y209 VanDerWaalsContact NE2-OH 3.1Å; M89-Y209 HydrophobicContact CE-CD1 4.31Å; L119-Y209 WeakPolarHBondContact CA-O 2.97Å; L119-Y209 WeakPolarHBondContact CB-O 3Å; G120-Y209 PolarHBondContact N-O 3.46Å; G120-Y209 PolarHBondContact O-N 3.05Å; N122-Y209 HydrophobicContact CB-CE2 3.75Å; N122-Y209 PolarHBondContact ND2-OH 2.03Å; Q173-Y209 HydrophobicContact CG-CD1 4.11Å; Q173-Y209 HydrophobicContact CG-CD2 3.46Å; Q173-Y209 VanDerWaalsContact CG-CD2 3.46Å; Q173-Y209 HydrophobicContact CG-CE1 4.32Å; Q173-Y209 HydrophobicContact CG-CE2 3.7Å; Q173-Y209 HydrophobicContact CG-CG 3.67Å; T179-Y209 HydrophobicContact CG2-CD1 3.91Å; T179-Y209 HydrophobicContact CG2-CG 4.21Å; R181-Y209 WeakPolarHBondContact O-CA 3.4Å; V182-Y209 HydrophobicContact CB-CD1 4.18Å; V182-Y209 HydrophobicContact CB-CE1 4.25Å; V182-Y209 HydrophobicContact CG2-CD1 3.89Å; V182-Y209 HydrophobicContact CG2-CE1 3.63Å; C207-Y209 HydrophobicContact CB-CE2 3.93Å; C207-Y209 WeakPolarHBondContact O-CE2 3.44Å
210	S	98.3	Very high	97.6	Very high	38 Å²	38	44.1 Å²	44.1	27%	0.266	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144.6	174.9	-165.6	0	0	0	0	111.9	N180 R181	N180-S210 PolarHBondContact N-O 3.32Å; R181-S210 WeakPolarHBondContact CB-O 3.31Å; R181-S210 PolarHBondContact N-O 3.11Å; R181-S210 PolarHBondContact O-N 3.43Å
211	P	97.7	Very high	97.7	Very high	62 Å²	62	35.4 Å²	35.4	40%	0.403	18%	0.184	S	C	.	.	S	Bend	cis	-51.3	155.5	-21.3	-25.1	32.7	0	0	0	113.2	T178 T179 G213	T178-P211 VanDerWaalsContact O-CD 3.29Å; T178-P211 WeakPolarHBondContact O-CD 3.3Å; T179-P211 WeakPolarHBondContact CB-O 2.98Å; T179-P211 PolarHBondContact OG1-O 3.34Å; P211-G213 PolarHBondContact O-N 3.15Å
212	K	97.9	Very high	97.8	Very high	56 Å²	56	36.7 Å²	36.7	24%	0.243	19%	0.188	C	C	.	.			trans	-56.2	133.8	177.3	178.6	177.7	-173.2	82.2	0	111.2	L116 Y118 L119 W215	L116-K212 WeakPolarHBondContact O-CE 3.35Å; L116-K212 PolarHBondContact O-NZ 2.81Å; Y118-K212 WeakPolarHBondContact O-CB 3.41Å; L119-K212 PolarHBondContact O-NZ 3.03Å; K212-W215 HydrophobicContact CB-CZ2 4.45Å; K212-W215 HydrophobicContact CD-CZ2 4.47Å; K212-W215 PolarHBondContact O-NE1 2.62Å
213	G	98	Very high	97.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.202	C	C	.	.			trans	-96.7	-165.8	169.6	0	0	0	0	0	113	W176 P211 W215	W176-G213 VanDerWaalsContact CD2-CA 3.43Å; W176-G213 VanDerWaalsContact CG-CA 3.4Å; P211-G213 PolarHBondContact O-N 3.15Å; G213-W215 VanDerWaalsContact C-N 3.3Å; G213-W215 PolarHBondContact O-N 3.49Å
214	N	97.8	Very high	97.8	Very high	43 Å²	43	40.1 Å²	40.1	23%	0.23	22%	0.215	C	C	.	.			trans	56	41.5	177.3	-61.8	-19.4	0	0	0	113.5	T169 T172 Q173 W176 V216	T169-N214 PolarHBondContact O-ND2 3.36Å; T172-N214 WeakPolarHBondContact CB-OD1 3.35Å; T172-N214 PolarHBondContact OG1-OD1 3.42Å; Q173-N214 PolarHBondContact N-OD1 2.77Å; W176-N214 VanDerWaalsContact CD2-N 3.33Å; N214-V216 PolarHBondContact O-N 2.57Å
215	W	96.9	Very high	97.7	Very high	143 Å²	143	46.4 Å²	46.4	54%	0.542	25%	0.247	S	C	.	.			trans	-65.9	130.7	172.4	-71.3	97.8	0	0	0	110.3	W176 K212 G213 G217 E218	W176-W215 HydrophobicContact CH2-CB 4.23Å; W176-W215 VanDerWaalsContact CH2-N 3.28Å; W176-W215 HydrophobicContact CZ2-CB 3.98Å; W176-W215 AromaticContact CZ2-CD1 3.8Å; W176-W215 HydrophobicContact CZ2-CG 4.31Å; K212-W215 HydrophobicContact CB-CZ2 4.45Å; K212-W215 HydrophobicContact CD-CZ2 4.47Å; K212-W215 PolarHBondContact O-NE1 2.62Å; G213-W215 VanDerWaalsContact C-N 3.3Å; G213-W215 PolarHBondContact O-N 3.49Å; W215-G217 PolarHBondContact O-N 2.83Å; W215-E218 HydrophobicContact CB-CB 3.99Å; W215-E218 HydrophobicContact CB-CG 3.86Å; W215-E218 PolarHBondContact O-N 3.02Å; W215-E218 VanDerWaalsContact O-N 3.11Å
216	V	95.8	Very high	97.7	Very high	129 Å²	129	48.3 Å²	48.3	78%	0.782	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	123	-178.3	177	0	0	0	0	109.5	N214	N214-V216 PolarHBondContact O-N 2.57Å
217	G	96.3	Very high	97.6	Very high	13 Å²	13	49.3 Å²	49.3	13%	0.134	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	6.9	179.8	0	0	0	0	0	114.8	C159 W215	C159-G217 WeakPolarHBondContact CB-O 3.29Å; C159-G217 PolarHBondContact N-O 2.89Å; C159-G217 WeakPolarHBondContact O-CA 3.21Å; W215-G217 PolarHBondContact O-N 2.83Å
218	E	96.8	Very high	97.5	Very high	116 Å²	116	53.1 Å²	53.1	54%	0.542	29%	0.293	S	S	.	.			trans	-114.5	143.7	178.2	-64.1	-65.3	164.7	0	0	111	W176 W215	W176-E218 HydrophobicContact CH2-CB 3.89Å; W176-E218 HydrophobicContact CZ2-CB 4.05Å; W215-E218 HydrophobicContact CB-CB 3.99Å; W215-E218 HydrophobicContact CB-CG 3.86Å; W215-E218 PolarHBondContact O-N 3.02Å; W215-E218 VanDerWaalsContact O-N 3.11Å
219	P	97.2	Very high	97.4	Very high	33 Å²	33	54.6 Å²	54.6	21%	0.214	31%	0.305	C	S	.	.			trans	-75.5	157.5	171	34.3	-31.2	0	0	0	110.1	F149 P150 C159 Y221	F149-P219 HydrophobicContact CZ-CB 4.13Å; P150-P219 HydrophobicContact CG-CB 4.05Å; C159-P219 VanDerWaalsContact SG-CD 3.59Å; P219-Y221 PolarHBondContact O-N 3.28Å
220	P	98.2	Very high	97.2	Very high	2 Å²	2	55.8 Å²	55.8	1%	0.013	31%	0.313	C	S	.	.	S	Bend	trans	-65.9	-25.5	179.6	25.1	-32	0	0	0	113.3	Y147 F149 T172 V175 W176 A177	Y147-P220 HydrophobicContact CE1-CG 4.43Å; Y147-P220 WeakPolarHBondContact OH-CD 3.3Å; Y147-P220 WeakPolarHBondContact OH-CG 3.22Å; F149-P220 HydrophobicContact CD2-CG 4.17Å; F149-P220 HydrophobicContact CE2-CG 3.82Å; T172-P220 HydrophobicContact CG2-CG 4.47Å; V175-P220 HydrophobicContact CG2-CB 4.09Å; V175-P220 HydrophobicContact CG2-CG 4.4Å; W176-P220 CarbonylContact C-O 3.52Å; W176-P220 WeakPolarHBondContact CA-O 3.4Å; W176-P220 HydrophobicContact CD2-CB 4.5Å; W176-P220 VanDerWaalsContact CE3-CA 3.44Å; W176-P220 HydrophobicContact CE3-CB 3.76Å; W176-P220 HydrophobicContact CZ3-CB 4.07Å; A177-P220 PolarHBondContact N-O 3.38Å
221	Y	98.3	Very high	96.9	Very high	7 Å²	7	55.7 Å²	55.7	3%	0.027	31%	0.311	C	S	.	.	S	Bend	trans	-158.2	170.9	178.9	52.3	-98.2	0	0	0	111.2	V79 F80 P81 A83 M86 F149 V175 P219	V79-Y221 HydrophobicContact CB-CE1 4.02Å; V79-Y221 HydrophobicContact CG1-CE1 4.24Å; V79-Y221 HydrophobicContact CG2-CE1 3.95Å; V79-Y221 HydrophobicContact CG2-CE2 4.08Å; F80-Y221 PolarHBondContact O-OH 2.89Å; P81-Y221 HydrophobicContact CG-CE2 4.39Å; P81-Y221 WeakPolarHBondContact O-CE2 3.49Å; P81-Y221 PolarHBondContact O-OH 3.2Å; A83-Y221 HydrophobicContact CB-CD1 4.47Å; A83-Y221 HydrophobicContact CB-CD2 3.41Å; A83-Y221 VanDerWaalsContact CB-CD2 3.41Å; A83-Y221 HydrophobicContact CB-CE2 3.9Å; A83-Y221 HydrophobicContact CB-CG 3.72Å; M86-Y221 HydrophobicContact CE-CD1 3.65Å; M86-Y221 HydrophobicContact CE-CE1 4.28Å; M86-Y221 HydrophobicContact CE-CG 3.97Å; F149-Y221 HydrophobicContact CD2-CE1 4.05Å; F149-Y221 AromaticContact CD2-CE2 3.93Å; F149-Y221 HydrophobicContact CD2-CE2 3.93Å; F149-Y221 AromaticContact CD2-CZ 3.58Å; F149-Y221 AromaticContact CE2-CD1 4Å; F149-Y221 HydrophobicContact CE2-CD1 4Å; F149-Y221 AromaticContact CE2-CD2 3.61Å; F149-Y221 HydrophobicContact CE2-CD2 3.61Å; F149-Y221 AromaticContact CE2-CE1 3.65Å; F149-Y221 HydrophobicContact CE2-CE1 3.65Å; F149-Y221 AromaticContact CE2-CE2 3.23Å; F149-Y221 HydrophobicContact CE2-CE2 3.23Å; F149-Y221 AromaticContact CE2-CG 3.99Å; F149-Y221 HydrophobicContact CE2-CG 3.99Å; F149-Y221 AromaticContact CE2-CZ 3.26Å; F149-Y221 AromaticContact CZ-CD2 3.88Å; F149-Y221 HydrophobicContact CZ-CD2 3.88Å; F149-Y221 AromaticContact CZ-CE2 3.72Å; F149-Y221 HydrophobicContact CZ-CE2 3.72Å; F149-Y221 HydrophobicContact CZ-CG 4.49Å; F149-Y221 WeakPolarHBondContact CZ-O 3.37Å; V175-Y221 HydrophobicContact CB-CD1 4.45Å; V175-Y221 HydrophobicContact CB-CE1 4.34Å; V175-Y221 HydrophobicContact CG2-CD1 4.38Å; V175-Y221 HydrophobicContact CG2-CE1 4.12Å; V175-Y221 WeakPolarHBondContact O-CD1 3.45Å; P219-Y221 PolarHBondContact O-N 3.28Å
222	K	97.3	Very high	96.5	Very high	127 Å²	127	58.8 Å²	58.8	55%	0.552	33%	0.332	S	S	*	.			trans	-88.2	127.4	174.1	-176.6	176.8	179	-179.6	0	109.7	A83 A84 N85 A229	A83-K222 CarbonylContact C-O 3.55Å; A83-K222 WeakPolarHBondContact CA-O 3.46Å; A84-K222 HydrophobicContact CB-CG 4.45Å; A84-K222 PolarHBondContact N-O 2.85Å; N85-K222 WeakPolarHBondContact OD1-CB 3.02Å; N85-K222 PolarHBondContact OD1-N 3.19Å; K222-A229 HydrophobicContact CD-CB 4.13Å
223	V	97.3	Very high	96	Very high	47 Å²	47	60.9 Å²	60.9	29%	0.285	35%	0.353	S	S	.	.	B	Isolated β-bridge	trans	-68.1	137	174	-178.4	0	0	0	0	110.7	P81 P82 F149	P81-V223 HydrophobicContact CB-CG1 3.98Å; P81-V223 HydrophobicContact CB-CG2 4.25Å; P81-V223 HydrophobicContact CG-CG1 4.32Å; P81-V223 HydrophobicContact CG-CG2 3.67Å; P82-V223 WeakPolarHBondContact O-CA 3.49Å; F149-V223 HydrophobicContact CD1-CG2 3.99Å; F149-V223 HydrophobicContact CE1-CG2 3.16Å; F149-V223 HydrophobicContact CZ-CG2 3.53Å
224	G	96.9	Very high	95.5	Very high	27 Å²	27	61.7 Å²	61.7	28%	0.278	36%	0.356	S	S	.	.	S	Bend	trans	161.3	-170.5	169.6	0	0	0	0	0	113	P82	P82-G224 CarbonylContact C-O 3.54Å; P82-G224 PolarHBondContact O-N 2.76Å
225	I	97.6	Very high	94.6	Very high	131 Å²	131	62.2 Å²	62.2	67%	0.672	37%	0.372	S	S	*	.	S	Bend	trans	-60.2	130.7	176.8	-61.7	170.4	0	0	0	108.2	A84 C227 S228	A84-I225 WeakPolarHBondContact CA-O 3.49Å; I225-C227 PolarHBondContact O-N 3.18Å; I225-S228 VanDerWaalsContact O-CB 3.22Å; I225-S228 WeakPolarHBondContact O-CB 3.37Å; I225-S228 PolarHBondContact O-N 3.46Å; I225-S228 PolarHBondContact O-OG 2.93Å
226	P	97.8	Very high	93.7	Very high	40 Å²	40	58.5 Å²	58.5	26%	0.26	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-46	135.1	177.2	-31.7	36.8	0	0	0	113	P82 A83 S228 N241	P82-P226 HydrophobicContact CB-CG 4.3Å; A83-P226 WeakPolarHBondContact O-CA 3.45Å; P226-S228 PolarHBondContact O-N 3.23Å; P226-N241 HydrophobicContact CB-CB 3.71Å; P226-N241 HydrophobicContact CG-CB 4.12Å
227	C	96.9	Very high	93.2	Very high	22 Å²	22	54.4 Å²	54.4	15%	0.149	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.4	2.2	-178.5	-52.8	0	0	0	0	117.5	A84 I225 A229 C230 C238 L242	A84-C227 CarbonylContact O-C 3.28Å; A84-C227 VanDerWaalsContact O-C 3.28Å; A84-C227 VanDerWaalsContact O-CA 3.3Å; A84-C227 WeakPolarHBondContact O-CA 3.4Å; A84-C227 PolarHBondContact O-N 3.04Å; I225-C227 PolarHBondContact O-N 3.18Å; C227-A229 PolarHBondContact O-N 2.7Å; C227-A229 VanDerWaalsContact O-N 3.15Å; C227-C230 WeakPolarHBondContact CA-SG 3.39Å; C227-C230 VanDerWaalsContact CB-SG 3.57Å; C227-C230 PolarHBondContact O-N 3.1Å; C227-C230 PolarHBondContact O-SG 2.83Å; C227-C238 HydrophobicContact CB-CB 3.45Å; C227-C238 VanDerWaalsContact CB-CB 3.45Å; C227-C238 WeakPolarHBondContact CB-SG 3.37Å; C227-C238 WeakPolarHBondContact SG-CB 3.48Å; C227-C238 CovalentContact SG-SG 2.03Å; C227-C238 PolarHBondContact SG-SG 2.97Å; C227-L242 VanDerWaalsContact SG-C 3.58Å; C227-L242 PolarHBondContact SG-O 2.83Å
228	S	96.7	Very high	93.1	Very high	79 Å²	79	57.1 Å²	57.1	55%	0.552	37%	0.372	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-11.9	179.5	61.7	0	0	0	0	114.7	A84 I225 P226	A84-S228 WeakPolarHBondContact CB-OG 3.42Å; A84-S228 PolarHBondContact O-N 3.34Å; I225-S228 VanDerWaalsContact O-CB 3.22Å; I225-S228 WeakPolarHBondContact O-CB 3.37Å; I225-S228 PolarHBondContact O-N 3.46Å; I225-S228 PolarHBondContact O-OG 2.93Å; P226-S228 PolarHBondContact O-N 3.23Å
229	A	96.4	Very high	93	Very high	32 Å²	32	54 Å²	54	26%	0.264	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134	33.2	179	0	0	0	0	0	112.2	A84 N85 K222 C227	A84-A229 HydrophobicContact CB-CB 3.78Å; A84-A229 CarbonylContact O-C 3.48Å; A84-A229 WeakPolarHBondContact O-CA 3.27Å; A84-A229 PolarHBondContact O-N 2.97Å; N85-A229 HydrophobicContact CB-CB 4.16Å; N85-A229 VanDerWaalsContact CB-O 3.24Å; N85-A229 WeakPolarHBondContact CB-O 3.43Å; K222-A229 HydrophobicContact CD-CB 4.13Å; C227-A229 PolarHBondContact O-N 2.7Å; C227-A229 VanDerWaalsContact O-N 3.15Å
230	C	95.8	Very high	92.9	Very high	24 Å²	24	58.7 Å²	58.7	16%	0.162	39%	0.386	C	S	.	.			trans	-60.5	140.4	173.5	-70.7	0	0	0	0	111.9	C227 C243	C227-C230 WeakPolarHBondContact CA-SG 3.39Å; C227-C230 VanDerWaalsContact CB-SG 3.57Å; C227-C230 PolarHBondContact O-N 3.1Å; C227-C230 PolarHBondContact O-SG 2.83Å; C230-C243 WeakPolarHBondContact CA-SG 3.4Å; C230-C243 HydrophobicContact CB-CB 3.71Å; C230-C243 WeakPolarHBondContact CB-SG 3.12Å; C230-C243 WeakPolarHBondContact SG-CA 3.45Å; C230-C243 WeakPolarHBondContact SG-CB 3.17Å; C230-C243 CovalentContact SG-SG 2.03Å; C230-C243 PolarHBondContact SG-SG 2.97Å
231	P	92.1	Very high	92.8	Very high	36 Å²	36	62.2 Å²	62.2	23%	0.234	40%	0.404	C	S	.	.			trans	-60	147.1	176.3	-19.3	29.5	0	0	0	111.5	E87 S233 Y234	E87-P231 HydrophobicContact CG-CG 4.44Å; P231-S233 PolarHBondContact O-N 3.41Å; P231-Y234 HydrophobicContact CB-CD2 3.94Å; P231-Y234 HydrophobicContact CB-CE2 4.35Å; P231-Y234 HydrophobicContact CG-CD2 3.92Å; P231-Y234 HydrophobicContact CG-CE2 4.03Å; P231-Y234 WeakPolarHBondContact O-CB 3.5Å; P231-Y234 PolarHBondContact O-N 3.27Å
232	P	89.1	Confident	92.8	Very high	128 Å²	128	62 Å²	62	83%	0.831	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-55.7	-28	-179.3	-28.1	35.5	0	0	0	114.6	Y234 G235	P232-Y234 PolarHBondContact O-N 2.97Å; P232-Y234 VanDerWaalsContact O-N 3.11Å; P232-G235 PolarHBondContact O-N 3.02Å
233	S	87	Confident	92.8	Very high	99 Å²	99	56 Å²	56	69%	0.692	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-59	-19.6	175.6	53.7	0	0	0	0	114.1	P231	P231-S233 PolarHBondContact O-N 3.41Å
234	Y	86.8	Confident	92.5	Very high	17 Å²	17	56.9 Å²	56.9	7%	0.067	38%	0.378	C	S	.	.	G	3₁₀ helix	trans	-88.6	-3.4	177.2	-71.2	-95.5	0	0	0	113.1	E87 N180 P231 P232 G236 S237 C243 F244 P245 A246	E87-Y234 HydrophobicContact CB-CE2 4.48Å; E87-Y234 WeakPolarHBondContact CB-OH 3.49Å; E87-Y234 HydrophobicContact CG-CE2 3.79Å; E87-Y234 WeakPolarHBondContact OE2-CE2 3.24Å; E87-Y234 PolarHBondContact OE2-OH 3.28Å; N180-Y234 PolarHBondContact ND2-OH 3.09Å; P231-Y234 HydrophobicContact CB-CD2 3.94Å; P231-Y234 HydrophobicContact CB-CE2 4.35Å; P231-Y234 HydrophobicContact CG-CD2 3.92Å; P231-Y234 HydrophobicContact CG-CE2 4.03Å; P231-Y234 WeakPolarHBondContact O-CB 3.5Å; P231-Y234 PolarHBondContact O-N 3.27Å; P232-Y234 PolarHBondContact O-N 2.97Å; P232-Y234 VanDerWaalsContact O-N 3.11Å; Y234-G236 PolarHBondContact O-N 3.25Å; Y234-G236 VanDerWaalsContact O-N 3.16Å; Y234-S237 PolarHBondContact O-N 3.35Å; Y234-S237 VanDerWaalsContact O-N 3.15Å; Y234-C243 VanDerWaalsContact CD1-C 3.41Å; Y234-C243 HydrophobicContact CD1-CB 3.81Å; Y234-C243 VanDerWaalsContact CD1-O 3.29Å; Y234-C243 WeakPolarHBondContact CD1-O 3.16Å; Y234-C243 HydrophobicContact CD2-CB 4.37Å; Y234-C243 HydrophobicContact CE1-CB 4.22Å; Y234-C243 WeakPolarHBondContact CE1-O 3.36Å; Y234-C243 HydrophobicContact CG-CB 3.92Å; Y234-F244 VanDerWaalsContact CD1-C 3.41Å; Y234-P245 HydrophobicContact CD1-CB 4.31Å; Y234-P245 HydrophobicContact CE1-CB 4.43Å; Y234-A246 PolarHBondContact O-N 2.8Å
235	G	80.1	Confident	91.8	Very high	54 Å²	54	57.1 Å²	57.1	56%	0.557	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.1	25.7	175.6	0	0	0	0	0	114.2	P232 S237	P232-G235 PolarHBondContact O-N 3.02Å; G235-S237 PolarHBondContact O-N 2.78Å
236	G	77.1	Confident	90.4	Very high	65 Å²	65	52.2 Å²	52.2	67%	0.67	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.8	8.4	-178	0	0	0	0	0	115.1	Y234	Y234-G236 PolarHBondContact O-N 3.25Å; Y234-G236 VanDerWaalsContact O-N 3.16Å
237	S	86.7	Confident	88.6	Confident	44 Å²	44	56 Å²	56	31%	0.308	37%	0.37	S	S	.	.			trans	-75.2	133.7	179.4	-73.7	0	0	0	0	111.7	Y234 G235 F244	Y234-S237 PolarHBondContact O-N 3.35Å; Y234-S237 VanDerWaalsContact O-N 3.15Å; G235-S237 PolarHBondContact O-N 2.78Å; S237-F244 WeakPolarHBondContact CB-O 3.38Å; S237-F244 PolarHBondContact O-N 2.64Å; S237-F244 VanDerWaalsContact O-N 3.1Å
238	C	92.7	Very high	86.5	Confident	70 Å²	70	61.4 Å²	61.4	47%	0.473	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	130.5	-179.8	-174.1	0	0	0	0	109.7	C227 L242	C227-C238 HydrophobicContact CB-CB 3.45Å; C227-C238 VanDerWaalsContact CB-CB 3.45Å; C227-C238 WeakPolarHBondContact CB-SG 3.37Å; C227-C238 WeakPolarHBondContact SG-CB 3.48Å; C227-C238 CovalentContact SG-SG 2.03Å; C227-C238 PolarHBondContact SG-SG 2.97Å; C238-L242 WeakPolarHBondContact CA-O 3.44Å
239	S	94.4	Very high	84.1	Confident	49 Å²	49	60.7 Å²	60.7	34%	0.343	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	126.8	174.3	-175	0	0	0	0	109.3	N241 L242	S239-N241 VanDerWaalsContact C-N 3.29Å; S239-N241 PolarHBondContact O-N 3.08Å; S239-L242 PolarHBondContact N-O 3.13Å; S239-L242 WeakPolarHBondContact O-CB 3.47Å; S239-L242 PolarHBondContact O-N 3.37Å
240	N	95.1	Very high	81.8	Confident	133 Å²	133	67.3 Å²	67.3	71%	0.711	43%	0.429	S	S	*	.	T	Hydrogen-bonded Turn	trans	47.8	48.7	-179.8	-62	-32.3	0	0	0	113.1	A77 L242	A77-N240 WeakPolarHBondContact CB-O 3.06Å; N240-L242 PolarHBondContact O-N 3.46Å
241	N	97.8	Very high	79.4	Confident	75 Å²	75	74.6 Å²	74.6	40%	0.401	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.4	12.1	-178	-56.2	-29.6	0	0	0	115.9	A77 P226 S239	A77-N241 PolarHBondContact O-ND2 2.87Å; A77-N241 VanDerWaalsContact O-ND2 3.11Å; P226-N241 HydrophobicContact CB-CB 3.71Å; P226-N241 HydrophobicContact CG-CB 4.12Å; S239-N241 VanDerWaalsContact C-N 3.29Å; S239-N241 PolarHBondContact O-N 3.08Å
242	L	97.7	Very high	77.2	Confident	4 Å²	4	78.8 Å²	78.8	2%	0.021	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	142.9	179.3	-57.9	172.2	0	0	0	110.9	N73 R76 A77 M86 Y88 C227 C238 S239 N240 F244	N73-L242 HydrophobicContact CB-CD1 4.1Å; R76-L242 HydrophobicContact CB-CD2 3.78Å; A77-L242 HydrophobicContact CB-CD1 4.27Å; A77-L242 HydrophobicContact CB-CD2 4.39Å; A77-L242 HydrophobicContact CB-CG 4.17Å; M86-L242 HydrophobicContact CB-CD2 3.91Å; M86-L242 HydrophobicContact CG-CD2 3.32Å; M86-L242 CarbonylContact O-C 3.57Å; M86-L242 WeakPolarHBondContact O-CA 3.02Å; Y88-L242 HydrophobicContact CD2-CB 4.49Å; Y88-L242 HydrophobicContact CD2-CD1 3.71Å; Y88-L242 HydrophobicContact CE2-CD1 4.39Å; C227-L242 VanDerWaalsContact SG-C 3.58Å; C227-L242 PolarHBondContact SG-O 2.83Å; C238-L242 WeakPolarHBondContact CA-O 3.44Å; S239-L242 PolarHBondContact N-O 3.13Å; S239-L242 WeakPolarHBondContact O-CB 3.47Å; S239-L242 PolarHBondContact O-N 3.37Å; N240-L242 PolarHBondContact O-N 3.46Å; L242-F244 PolarHBondContact O-N 3.03Å; L242-F244 VanDerWaalsContact O-N 3.16Å
243	C	96.6	Very high	75	Confident	0 Å²	0	81 Å²	81	0%	0	47%	0.465	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	111.6	167.6	-54	0	0	0	0	108.2	M86 Y88 C230 Y234	M86-C243 PolarHBondContact O-N 3.45Å; M86-C243 PolarHBondContact O-SG 3.23Å; Y88-C243 VanDerWaalsContact CB-O 3.31Å; Y88-C243 WeakPolarHBondContact CB-O 3.19Å; Y88-C243 PolarHBondContact N-O 3.11Å; C230-C243 WeakPolarHBondContact CA-SG 3.4Å; C230-C243 HydrophobicContact CB-CB 3.71Å; C230-C243 WeakPolarHBondContact CB-SG 3.12Å; C230-C243 WeakPolarHBondContact SG-CA 3.45Å; C230-C243 WeakPolarHBondContact SG-CB 3.17Å; C230-C243 CovalentContact SG-SG 2.03Å; C230-C243 PolarHBondContact SG-SG 2.97Å; Y234-C243 VanDerWaalsContact CD1-C 3.41Å; Y234-C243 HydrophobicContact CD1-CB 3.81Å; Y234-C243 VanDerWaalsContact CD1-O 3.29Å; Y234-C243 WeakPolarHBondContact CD1-O 3.16Å; Y234-C243 HydrophobicContact CD2-CB 4.37Å; Y234-C243 HydrophobicContact CE1-CB 4.22Å; Y234-C243 WeakPolarHBondContact CE1-O 3.36Å; Y234-C243 HydrophobicContact CG-CB 3.92Å
244	F	91.8	Very high	73.3	Confident	65 Å²	65	82 Å²	82	29%	0.285	45%	0.454	S	S	.	.			trans	-110.6	132	-175.3	-156.6	-87.5	0	0	0	109.1	Y88 Y234 S237 L242 A246	Y88-F244 HydrophobicContact CD1-CD2 4.08Å; Y88-F244 AromaticContact CD1-CE2 3.66Å; Y88-F244 HydrophobicContact CD1-CE2 3.66Å; Y88-F244 HydrophobicContact CD1-CZ 4.45Å; Y88-F244 AromaticContact CD2-CD2 3.61Å; Y88-F244 HydrophobicContact CD2-CD2 3.61Å; Y88-F244 AromaticContact CD2-CE2 3.57Å; Y88-F244 HydrophobicContact CD2-CE2 3.57Å; Y88-F244 AromaticContact CE1-CE2 3.77Å; Y88-F244 HydrophobicContact CE1-CE2 3.77Å; Y88-F244 HydrophobicContact CE1-CZ 4.41Å; Y88-F244 HydrophobicContact CE2-CD2 4.18Å; Y88-F244 AromaticContact CE2-CE2 3.7Å; Y88-F244 HydrophobicContact CE2-CE2 3.7Å; Y88-F244 AromaticContact CG-CD2 3.56Å; Y88-F244 HydrophobicContact CG-CD2 3.56Å; Y88-F244 AromaticContact CG-CE2 3.56Å; Y88-F244 HydrophobicContact CG-CE2 3.56Å; Y88-F244 AromaticContact CZ-CE2 3.79Å; Y234-F244 VanDerWaalsContact CD1-C 3.41Å; S237-F244 WeakPolarHBondContact CB-O 3.38Å; S237-F244 PolarHBondContact O-N 2.64Å; S237-F244 VanDerWaalsContact O-N 3.1Å; L242-F244 PolarHBondContact O-N 3.03Å; L242-F244 VanDerWaalsContact O-N 3.16Å; F244-A246 PolarHBondContact O-N 3.01Å
245	P	82	Confident	70.7	Confident	32 Å²	32	90.4 Å²	90.4	21%	0.208	49%	0.491	C	S	.	.			trans	-63.3	125.4	-175.2	23.4	-31.4	0	0	0	109.1	Y234 I247 W254	Y234-P245 HydrophobicContact CD1-CB 4.31Å; Y234-P245 HydrophobicContact CE1-CB 4.43Å; P245-I247 PolarHBondContact O-N 3.41Å; P245-W254 HydrophobicContact CG-CH2 4.01Å; P245-W254 HydrophobicContact CG-CZ2 3.87Å
246	A	67	Low	68.3	Low	28 Å²	28	99.9 Å²	99.9	23%	0.231	52%	0.517	C	S	.	.			trans	-56.2	126.4	172.9	0	0	0	0	0	109.1	Y234 F244 T248	Y234-A246 PolarHBondContact O-N 2.8Å; F244-A246 PolarHBondContact O-N 3.01Å; A246-T248 VanDerWaalsContact C-N 3.33Å; A246-T248 HydrophobicContact CB-CG2 4.17Å; A246-T248 PolarHBondContact O-N 2.03Å
247	I	61.5	Low	67.9	Low	121 Å²	121	101.6 Å²	101.6	62%	0.621	51%	0.509	S	S	*	.			trans	-71.3	92.4	175.4	-55.6	172.4	0	0	0	107	P245 M252	P245-I247 PolarHBondContact O-N 3.41Å; I247-M252 HydrophobicContact CD1-CE 4.01Å
248	T	51.3	Low	66.9	Low	135 Å²	135	104.6 Å²	104.6	83%	0.828	52%	0.52	S	S	*	.			trans	-97.2	5	179.9	50.2	0	0	0	0	113.7	A246	A246-T248 VanDerWaalsContact C-N 3.33Å; A246-T248 HydrophobicContact CB-CG2 4.17Å; A246-T248 PolarHBondContact O-N 2.03Å
249	S	47.6	Very low	65.4	Low	64 Å²	64	106.6 Å²	106.6	45%	0.448	52%	0.522	S	S	.	.	S	Bend	trans	-152.8	144.2	176.1	176.4	0	0	0	0	111.1	Y251	S249-Y251 PolarHBondContact O-N 2.8Å; S249-Y251 PolarHBondContact OG-N 3.25Å
250	N	48.3	Very low	63.7	Low	171 Å²	171	109.9 Å²	109.9	91%	0.914	53%	0.533	S	S	*	.	S	Bend	trans	-61.4	7.9	169.8	-75	-40.1	0	0	0	113.8
251	Y	45.3	Very low	61.8	Low	176 Å²	176	108.5 Å²	108.5	69%	0.69	52%	0.522	S	S	*	.			trans	-111.9	97.8	172.2	-83.1	-89.1	0	0	0	110.8	S249 Y253	S249-Y251 PolarHBondContact O-N 2.8Å; S249-Y251 PolarHBondContact OG-N 3.25Å; Y251-Y253 PolarHBondContact O-N 3.4Å; Y251-Y253 VanDerWaalsContact O-N 3.16Å
252	M	45	Very low	59.4	Low	124 Å²	124	110.7 Å²	110.7	61%	0.611	53%	0.53	S	S	*	.			trans	-70.5	98.9	161.9	-85.8	-165.7	-170.3	0	0	109.6	I247 W254	I247-M252 HydrophobicContact CD1-CE 4.01Å; M252-W254 VanDerWaalsContact CB-CD1 3.45Å; M252-W254 HydrophobicContact CB-CG 4.38Å; M252-W254 PolarHBondContact O-N 3.23Å
253	Y	43.3	Very low	56.7	Low	175 Å²	175	118.4 Å²	118.4	69%	0.686	57%	0.566	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.9	63.3	167.4	-72.4	-89.5	0	0	0	110.5	Y251	Y251-Y253 PolarHBondContact O-N 3.4Å; Y251-Y253 VanDerWaalsContact O-N 3.16Å
254	W	51.5	Low	53.6	Low	121 Å²	121	127.5 Å²	127.5	46%	0.458	61%	0.609	S	S	.	*	T	Hydrogen-bonded Turn	trans	-112.6	-6.3	177.6	-54.8	123.7	0	0	0	113.5	V90 P245 M252	V90-W254 HydrophobicContact CB-CZ3 4.35Å; V90-W254 HydrophobicContact CG1-CE3 4.23Å; V90-W254 HydrophobicContact CG1-CH2 4.29Å; V90-W254 HydrophobicContact CG1-CZ3 3.78Å; V90-W254 HydrophobicContact CG2-CZ3 4.19Å; P245-W254 HydrophobicContact CG-CH2 4.01Å; P245-W254 HydrophobicContact CG-CZ2 3.87Å; M252-W254 VanDerWaalsContact CB-CD1 3.45Å; M252-W254 HydrophobicContact CB-CG 4.38Å; M252-W254 PolarHBondContact O-N 3.23Å
255	F	32	Very low	50.4	Low	193 Å²	193	132.7 Å²	132.7	85%	0.846	64%	0.636	S	S	*	*			trans	-142.6	87	178.2	-55	-75.2	0	0	0	111.6
256	K	30.2	Very low	47.5	Very low	252 Å²	252	141.8 Å²	141.8	100%	1.096	68%	0.675	S	S	*	*			trans	-132.6	0	158	-84	-166.2	177.3	-178	0	109.8

Retrieved 256 of 256 residues in 1074.2 ms (Link to these results)

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