A0A087XE86_POEFO Loading...

Hemopexin

Binds heme and transports it to the liver for breakdown and iron recovery, after which the free hemopexin returns to the circulation.

AlphaFold DB , UniProt , Accession A0A087XE86, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 430 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.6	Very low	35.2	Very low	240 Å²	240	166.8 Å²	166.8	100%	1.182	87%	0.871	S	S	*	*				0	98.1	0	-114.5	175.3	-71.9	0	0	106.3
2	E	34.4	Very low	34.8	Very low	195 Å²	195	166.2 Å²	166.2	91%	0.911	87%	0.868	S	S	*	*			trans	-63.7	145.3	167.3	-69.4	177.2	128.4	0	0	109.2
3	P	37.7	Very low	34.7	Very low	125 Å²	125	162.7 Å²	162.7	81%	0.812	86%	0.857	S	S	*	*			trans	-118.5	144	149.9	24.8	-8.3	0	0	0	112.5
4	V	35.8	Very low	34.6	Very low	141 Å²	141	161.9 Å²	161.9	86%	0.855	85%	0.853	S	S	*	*			trans	-61	143.5	-179	167.9	0	0	0	0	113.1
5	I	34.3	Very low	34.6	Very low	148 Å²	148	158.9 Å²	158.9	76%	0.759	84%	0.843	S	S	*	*			trans	-65	139.7	173.7	-65.2	160.2	0	0	0	111.4
6	T	35.2	Very low	34.5	Very low	138 Å²	138	156.9 Å²	156.9	85%	0.847	84%	0.839	S	S	*	*			trans	-129	129	151.5	-49.1	0	0	0	0	109.5
7	R	37.3	Very low	34.5	Very low	228 Å²	228	156.8 Å²	156.8	86%	0.86	84%	0.836	S	S	*	*			trans	-77.7	140.5	-176	-76.1	175.3	162.6	-171.8	-4.8	111.9
8	T	34.9	Very low	34.4	Very low	140 Å²	140	154.5 Å²	154.5	86%	0.859	84%	0.835	S	S	*	*			trans	-139.9	125.3	145.2	-44.8	0	0	0	0	108.5
9	L	36.3	Very low	34.5	Very low	158 Å²	158	153.8 Å²	153.8	83%	0.827	84%	0.837	S	S	*	*			trans	-89.5	143.2	178.4	-150.5	87.8	0	0	0	108.7
10	I	32.8	Very low	34.6	Very low	163 Å²	163	153.3 Å²	153.3	84%	0.836	84%	0.839	S	S	*	*			trans	-169.1	122.6	144.9	-93.7	144.6	0	0	0	110.6
11	L	29.5	Very low	34.5	Very low	159 Å²	159	150.5 Å²	150.5	83%	0.832	84%	0.836	S	S	*	*			trans	27.1	113.8	153.1	-121.5	70.6	0	0	0	120.8
12	L	29.8	Very low	34.3	Very low	159 Å²	159	145 Å²	145	83%	0.832	82%	0.818	S	S	*	*			trans	-84.6	128.7	163.6	-96.8	103.9	0	0	0	111.3
13	V	33.9	Very low	34.5	Very low	121 Å²	121	144 Å²	144	73%	0.733	82%	0.818	S	S	*	*			trans	-116.2	120.9	158.3	176.4	0	0	0	0	107	V15	V13-V15 HydrophobicContact CG1-CG2 4.31Å
14	L	32.6	Very low	34.4	Very low	151 Å²	151	147.1 Å²	147.1	79%	0.791	82%	0.822	S	S	*	*			trans	-85.5	116.1	177.2	-86.7	142.9	0	0	0	109.6
15	V	34.5	Very low	34.3	Very low	118 Å²	118	148.1 Å²	148.1	72%	0.715	82%	0.823	S	S	*	*			trans	-125.2	114.3	165.2	178	0	0	0	0	107.2	V13 I17	V13-V15 HydrophobicContact CG1-CG2 4.31Å; V15-I17 HydrophobicContact CG1-CG1 4.4Å
16	T	33.5	Very low	34.2	Very low	126 Å²	126	145.2 Å²	145.2	77%	0.773	82%	0.821	S	S	*	*			trans	-104.7	117	175.3	49.4	0	0	0	0	109.3
17	I	34.4	Very low	34.1	Very low	155 Å²	155	143 Å²	143	80%	0.795	82%	0.817	S	S	*	*			trans	-132.3	116.2	163.2	-57.1	178.6	0	0	0	107.7	V15	V15-I17 HydrophobicContact CG1-CG1 4.4Å
18	S	33.7	Very low	34	Very low	116 Å²	116	138.6 Å²	138.6	81%	0.811	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-82.2	143	-179.5	39.8	0	0	0	0	112.3
19	T	35.5	Very low	34	Very low	142 Å²	142	140.8 Å²	140.8	87%	0.871	82%	0.815	S	S	*	*	P	Polyproline II helix	trans	-78	153.2	-178.7	45.3	0	0	0	0	113.9
20	T	35.6	Very low	34.1	Very low	143 Å²	143	140.3 Å²	140.3	88%	0.877	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-76.1	158.4	-167.8	43.4	0	0	0	0	116.4
21	A	34.3	Very low	34.3	Very low	95 Å²	95	135.4 Å²	135.4	79%	0.785	80%	0.803	S	S	*	*			trans	-124.6	150.6	158.2	0	0	0	0	0	109.6
22	P	35.1	Very low	34.5	Very low	123 Å²	123	130.8 Å²	130.8	80%	0.799	79%	0.794	S	S	*	*			trans	-94.5	145.6	-168.3	35.2	-30.4	0	0	0	114.8
23	L	36.8	Very low	34.8	Very low	174 Å²	174	129.5 Å²	129.5	91%	0.911	79%	0.793	S	S	*	*			trans	7.4	120.6	162	-73.6	118.2	0	0	0	120.1
24	Q	36	Very low	35.6	Very low	191 Å²	191	127.6 Å²	127.6	89%	0.893	79%	0.785	S	S	*	*			trans	-125.2	126.7	151.5	-155.9	159.3	29.8	0	0	107	A26	Q24-A26 PolarHBondContact O-N 3.39Å; Q24-A26 VanDerWaalsContact O-N 3.16Å
25	D	33.8	Very low	36.8	Very low	162 Å²	162	125 Å²	125	87%	0.866	78%	0.777	S	S	*	*			trans	-48.3	115.5	-177.7	-90.4	-41.8	0	0	0	111.8	A27	D25-A27 PolarHBondContact O-N 3.01Å
26	A	32.7	Very low	38.9	Very low	88 Å²	88	124 Å²	124	73%	0.727	78%	0.781	S	S	*	*			trans	-83.2	99.7	162.6	0	0	0	0	0	107.2	Q24 V28	Q24-A26 PolarHBondContact O-N 3.39Å; Q24-A26 VanDerWaalsContact O-N 3.16Å; A26-V28 PolarHBondContact O-N 3Å; A26-V28 VanDerWaalsContact O-N 3.14Å
27	A	33.6	Very low	41.4	Very low	92 Å²	92	120.8 Å²	120.8	76%	0.76	77%	0.768	S	S	*	*			trans	-55.8	116.9	157.8	0	0	0	0	0	107.5	D25 E29	D25-A27 PolarHBondContact O-N 3.01Å; A27-E29 PolarHBondContact O-N 2.78Å
28	V	34.5	Very low	44.2	Very low	134 Å²	134	115.1 Å²	115.1	81%	0.812	74%	0.741	S	S	*	*			trans	-68.5	100.3	167.1	178.5	0	0	0	0	105.9	A26 D30	A26-V28 PolarHBondContact O-N 3Å; A26-V28 VanDerWaalsContact O-N 3.14Å; V28-D30 VanDerWaalsContact C-N 3.25Å; V28-D30 PolarHBondContact O-N 3.37Å
29	E	35.4	Very low	47	Very low	187 Å²	187	114 Å²	114	87%	0.874	73%	0.726	S	S	*	*			trans	-67.1	95.4	157.1	-77.4	-166.1	164.2	0	0	106.7	A27 G31	A27-E29 PolarHBondContact O-N 2.78Å; E29-G31 PolarHBondContact O-N 2.86Å
30	D	38.2	Very low	49.8	Very low	147 Å²	147	107.8 Å²	107.8	79%	0.786	69%	0.687	S	S	*	*			trans	-66.1	91	162.1	-172.9	24.4	0	0	0	107.1	V28 G32	V28-D30 VanDerWaalsContact C-N 3.25Å; V28-D30 PolarHBondContact O-N 3.37Å; D30-G32 PolarHBondContact O-N 2.82Å
31	G	36.6	Very low	52.6	Low	60 Å²	60	102.1 Å²	102.1	62%	0.619	65%	0.653	S	S	*	*			trans	-67.6	71.9	169.4	0	0	0	0	0	109.9	E29 T33	E29-G31 PolarHBondContact O-N 2.86Å; G31-T33 PolarHBondContact O-N 3.39Å; G31-T33 PolarHBondContact O-OG1 2.9Å
32	G	33.4	Very low	55.4	Low	63 Å²	63	101 Å²	101	65%	0.649	64%	0.643	S	S	*	*			trans	-60.4	89.3	165.7	0	0	0	0	0	108.6	D30 S34	D30-G32 PolarHBondContact O-N 2.82Å; G32-S34 VanDerWaalsContact C-N 3.33Å; G32-S34 PolarHBondContact O-N 2.77Å
33	T	37.4	Very low	58.1	Low	131 Å²	131	96.1 Å²	96.1	80%	0.804	62%	0.615	S	S	*	*			trans	-68.1	97.2	173.6	-37.7	0	0	0	0	105.9	G31	G31-T33 PolarHBondContact O-N 3.39Å; G31-T33 PolarHBondContact O-OG1 2.9Å
34	S	50.6	Low	60.8	Low	82 Å²	82	89 Å²	89	57%	0.573	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-51.9	129.6	163.8	-171.6	0	0	0	0	106.5	G32 A36	G32-S34 VanDerWaalsContact C-N 3.33Å; G32-S34 PolarHBondContact O-N 2.77Å; S34-A36 PolarHBondContact O-N 2.82Å
35	P	57.7	Low	63.6	Low	96 Å²	96	83.8 Å²	83.8	62%	0.623	55%	0.554	S	S	*	*	P	Polyproline II helix	trans	-52	131.7	178	-1.1	-0.3	0	0	0	108.1	A37	P35-A37 PolarHBondContact O-N 3.28Å
36	A	77.6	Confident	66.7	Low	97 Å²	97	76.1 Å²	76.1	80%	0.802	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-52.2	132.5	177.4	0	0	0	0	0	108.8	S34	S34-A36 PolarHBondContact O-N 2.82Å
37	A	86.5	Confident	69.8	Low	59 Å²	59	73.5 Å²	73.5	49%	0.488	49%	0.487	S	S	.	.	P	Polyproline II helix	trans	-54.7	135.6	179	0	0	0	0	0	109.4	P35 A73	P35-A37 PolarHBondContact O-N 3.28Å; A37-A73 HydrophobicContact CB-CB 3.96Å
38	P	92.9	Very high	72.8	Confident	35 Å²	35	69.2 Å²	69.2	23%	0.227	45%	0.451	C	S	.	.	P	Polyproline II helix	trans	-61.2	148	178.9	25.5	-32.9	0	0	0	110.2	H64 W66	P38-H64 WeakPolarHBondContact CD-ND1 3.4Å; P38-H64 HydrophobicContact CG-CB 3.83Å; P38-W66 HydrophobicContact CB-CH2 3.83Å; P38-W66 HydrophobicContact CB-CZ2 4.17Å; P38-W66 HydrophobicContact CG-CH2 3.51Å; P38-W66 HydrophobicContact CG-CZ2 3.88Å; P38-W66 HydrophobicContact CG-CZ3 4.35Å; P38-W66 VanDerWaalsContact O-CZ2 3.22Å; P38-W66 WeakPolarHBondContact O-CZ2 3.24Å
39	D	93.4	Very high	75.9	Confident	93 Å²	93	62.9 Å²	62.9	50%	0.497	41%	0.413	S	S	.	.			trans	-99	113.7	171.4	176.8	12.9	0	0	0	109.4	C41 A42 V44	D39-C41 PolarHBondContact O-N 2.79Å; D39-C41 VanDerWaalsContact OD1-CB 3.31Å; D39-C41 WeakPolarHBondContact OD1-CB 3.49Å; D39-C41 PolarHBondContact OD1-N 3.43Å; D39-A42 HydrophobicContact CB-CB 4.3Å; D39-A42 VanDerWaalsContact O-CB 3.28Å; D39-A42 WeakPolarHBondContact O-CB 3.45Å; D39-A42 PolarHBondContact O-N 2.87Å; D39-A42 VanDerWaalsContact O-N 3.09Å; D39-V44 VanDerWaalsContact O-CG1 3.31Å; D39-V44 WeakPolarHBondContact O-CG1 3.27Å
40	R	93.6	Very high	78.9	Confident	12 Å²	12	54 Å²	54	5%	0.045	37%	0.372	C	S	.	.	G	3₁₀ helix	trans	-62.5	-24	178.1	65.1	170.5	87.6	-175.2	34.4	112.8	A42 G43 V44 F46 W66 G68 G71 M226	R40-A42 VanDerWaalsContact C-N 3.27Å; R40-A42 PolarHBondContact O-N 2.83Å; R40-G43 PolarHBondContact O-N 2.71Å; R40-V44 HydrophobicContact CB-CG2 4.22Å; R40-F46 HydrophobicContact CB-CE1 4.45Å; R40-F46 HydrophobicContact CB-CZ 4.15Å; R40-W66 HydrophobicContact CB-CD2 4.45Å; R40-W66 HydrophobicContact CB-CH2 4.16Å; R40-W66 HydrophobicContact CB-CZ2 3.67Å; R40-W66 HydrophobicContact CG-CZ2 4.42Å; R40-W66 VanDerWaalsContact NE-CG 3.29Å; R40-G68 PolarHBondContact NH1-O 2.83Å; R40-G68 VanDerWaalsContact NH1-O 3.12Å; R40-G68 PolarHBondContact NH2-O 3.44Å; R40-G68 VanDerWaalsContact NH2-O 3.11Å; R40-G71 PolarHBondContact NH2-O 2.82Å; R40-M226 HydrophobicContact CB-SD 3.89Å; R40-M226 HydrophobicContact CG-CB 4.48Å; R40-M226 HydrophobicContact CG-SD 3.8Å
41	C	94.5	Very high	81.6	Confident	24 Å²	24	47.1 Å²	47.1	16%	0.162	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-76.9	-14.1	178.4	-60.1	0	0	0	0	113.5	D39 G43 R222 C228	D39-C41 PolarHBondContact O-N 2.79Å; D39-C41 VanDerWaalsContact OD1-CB 3.31Å; D39-C41 WeakPolarHBondContact OD1-CB 3.49Å; D39-C41 PolarHBondContact OD1-N 3.43Å; C41-G43 PolarHBondContact O-N 3.36Å; C41-G43 VanDerWaalsContact O-N 3.15Å; C41-R222 VanDerWaalsContact O-CD 3.24Å; C41-R222 WeakPolarHBondContact O-CD 3.47Å; C41-R222 PolarHBondContact O-NH1 3.13Å; C41-R222 VanDerWaalsContact O-NH1 3.11Å; C41-C228 WeakPolarHBondContact CA-SG 3.49Å; C41-C228 HydrophobicContact CB-CB 3.71Å; C41-C228 WeakPolarHBondContact CB-SG 3.39Å; C41-C228 WeakPolarHBondContact SG-CA 3.46Å; C41-C228 WeakPolarHBondContact SG-CB 3.4Å; C41-C228 CovalentContact SG-SG 2.03Å; C41-C228 PolarHBondContact SG-SG 3.48Å
42	A	94.1	Very high	84.4	Confident	72 Å²	72	44.4 Å²	44.4	60%	0.595	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-69.4	-3.6	172.9	0	0	0	0	0	113.6	D39 R40	D39-A42 HydrophobicContact CB-CB 4.3Å; D39-A42 VanDerWaalsContact O-CB 3.28Å; D39-A42 WeakPolarHBondContact O-CB 3.45Å; D39-A42 PolarHBondContact O-N 2.87Å; D39-A42 VanDerWaalsContact O-N 3.09Å; R40-A42 VanDerWaalsContact C-N 3.27Å; R40-A42 PolarHBondContact O-N 2.83Å
43	G	90.8	Very high	87.2	Confident	20 Å²	20	42.4 Å²	42.4	21%	0.206	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	58.8	-178	0	0	0	0	0	111.2	R40 C41	R40-G43 PolarHBondContact O-N 2.71Å; C41-G43 PolarHBondContact O-N 3.36Å; C41-G43 VanDerWaalsContact O-N 3.15Å
44	V	93.2	Very high	89.9	Confident	24 Å²	24	41.6 Å²	41.6	15%	0.145	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-84	151.4	-179.3	-58.2	0	0	0	0	111.6	D39 R40 F46 W66	D39-V44 VanDerWaalsContact O-CG1 3.31Å; D39-V44 WeakPolarHBondContact O-CG1 3.27Å; R40-V44 HydrophobicContact CB-CG2 4.22Å; V44-F46 HydrophobicContact CG2-CD1 4.07Å; V44-F46 HydrophobicContact CG2-CE1 3.58Å; V44-F46 HydrophobicContact CG2-CE2 4.36Å; V44-F46 HydrophobicContact CG2-CZ 3.75Å; V44-W66 HydrophobicContact CG2-CH2 4.43Å
45	E	95.6	Very high	92	Very high	81 Å²	81	38 Å²	38	38%	0.379	24%	0.241	S	C	.	.	P	Polyproline II helix	trans	-92	123.1	164.8	-176.5	172.5	69.7	0	0	108.7	K61 T186 G200	E45-K61 WeakPolarHBondContact O-CD 3.4Å; E45-K61 WeakPolarHBondContact O-CE 3.41Å; E45-K61 PolarHBondContact O-NZ 3.4Å; E45-T186 VanDerWaalsContact CD-CG2 3.4Å; E45-T186 HydrophobicContact CG-CG2 3.92Å; E45-T186 WeakPolarHBondContact CG-OG1 3.47Å; E45-T186 WeakPolarHBondContact OE2-CG2 3.2Å; E45-G200 WeakPolarHBondContact CA-O 3.3Å; E45-G200 WeakPolarHBondContact OE2-CA 3.49Å; E45-G200 PolarHBondContact OE2-N 3.39Å
46	F	97.4	Very high	93.8	Very high	2 Å²	2	37 Å²	37	1%	0.009	23%	0.231	C	C	.	.	P	Polyproline II helix	trans	-85.1	136	178.6	-63	-66.7	0	0	0	110.8	R40 V44 I49 F59 F60 W66 S187 F198 M226	R40-F46 HydrophobicContact CB-CE1 4.45Å; R40-F46 HydrophobicContact CB-CZ 4.15Å; V44-F46 HydrophobicContact CG2-CD1 4.07Å; V44-F46 HydrophobicContact CG2-CE1 3.58Å; V44-F46 HydrophobicContact CG2-CE2 4.36Å; V44-F46 HydrophobicContact CG2-CZ 3.75Å; F46-I49 HydrophobicContact CB-CD1 4.17Å; F46-I49 HydrophobicContact CB-CG1 3.98Å; F46-I49 HydrophobicContact CD2-CD1 4.01Å; F46-I49 HydrophobicContact CG-CD1 4.39Å; F46-I49 HydrophobicContact CG-CG1 4.42Å; F46-F59 HydrophobicContact CD1-CB 3.79Å; F46-F59 HydrophobicContact CD2-CD1 4.06Å; F46-F59 HydrophobicContact CE1-CB 3.69Å; F46-F59 HydrophobicContact CE1-CD1 4.49Å; F46-F59 HydrophobicContact CE1-CG 4.43Å; F46-F59 AromaticContact CE2-CD1 3.87Å; F46-F59 HydrophobicContact CE2-CD1 3.87Å; F46-F59 HydrophobicContact CG-CB 4.29Å; F46-F59 HydrophobicContact CG-CD1 4.43Å; F46-F59 HydrophobicContact CZ-CB 4.09Å; F46-F59 HydrophobicContact CZ-CD1 4.11Å; F46-F59 HydrophobicContact CZ-CG 4.35Å; F46-F60 CarbonylContact C-O 3.5Å; F46-F60 WeakPolarHBondContact CA-O 3.41Å; F46-W66 HydrophobicContact CD1-CE3 4.32Å; F46-W66 HydrophobicContact CD1-CZ3 4.01Å; F46-W66 AromaticContact CE1-CE3 3.69Å; F46-W66 HydrophobicContact CE1-CE3 3.69Å; F46-W66 HydrophobicContact CE1-CH2 4.21Å; F46-W66 AromaticContact CE1-CZ3 3.51Å; F46-W66 HydrophobicContact CE1-CZ3 3.51Å; F46-S187 PolarHBondContact O-OG 3.25Å; F46-F198 HydrophobicContact CD2-CD1 4.18Å; F46-F198 HydrophobicContact CD2-CE1 4.33Å; F46-M226 HydrophobicContact CE2-CE 3.63Å; F46-M226 HydrophobicContact CZ-CE 3.77Å
47	D	97.9	Very high	94.7	Very high	33 Å²	33	32.5 Å²	32.5	18%	0.176	19%	0.193	C	C	.	.	S	Bend	trans	-79.6	-25	-178.3	-46	-34.9	0	0	0	111.5	F60 K61 G62 I87 N88	D47-F60 PolarHBondContact N-O 2.68Å; D47-K61 WeakPolarHBondContact OD1-CD 3.05Å; D47-K61 IonicContact OD1-NZ 2.94Å; D47-K61 PolarHBondContact OD1-NZ 2.96Å; D47-K61 WeakPolarHBondContact OD2-CA 3.29Å; D47-G62 PolarHBondContact OD2-N 3.44Å; D47-I87 WeakPolarHBondContact CB-O 3.46Å; D47-N88 CarbonylContact O-C 3.39Å; D47-N88 VanDerWaalsContact O-O 3.06Å
48	A	98.3	Very high	95.2	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.008	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	153.8	172.7	0	0	0	0	0	110.8	F60 I87 A90	A48-F60 HydrophobicContact CB-CB 4.23Å; A48-F60 HydrophobicContact CB-CD2 4.11Å; A48-F60 HydrophobicContact CB-CG 4.44Å; A48-F60 PolarHBondContact O-N 3.28Å; A48-I87 HydrophobicContact CB-CD1 3.59Å; A48-I87 HydrophobicContact CB-CG1 3.81Å; A48-A90 HydrophobicContact CB-CB 3.79Å
49	I	98.4	Very high	95.4	Very high	1 Å²	1	28.1 Å²	28.1	1%	0.005	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	131.8	175.9	-54.7	173.1	0	0	0	108.2	F46 T57 F58 F59 F189 F198	F46-I49 HydrophobicContact CB-CD1 4.17Å; F46-I49 HydrophobicContact CB-CG1 3.98Å; F46-I49 HydrophobicContact CD2-CD1 4.01Å; F46-I49 HydrophobicContact CG-CD1 4.39Å; F46-I49 HydrophobicContact CG-CG1 4.42Å; I49-T57 HydrophobicContact CG2-CG2 3.54Å; I49-F58 VanDerWaalsContact CA-O 3.32Å; I49-F58 WeakPolarHBondContact CA-O 3.33Å; I49-F58 WeakPolarHBondContact CG2-O 3.28Å; I49-F59 HydrophobicContact CB-CD1 4.5Å; I49-F59 HydrophobicContact CD1-CD1 3.84Å; I49-F59 HydrophobicContact CD1-CE1 4.1Å; I49-F59 HydrophobicContact CG1-CD1 3.86Å; I49-F59 HydrophobicContact CG1-CE1 4.44Å; I49-F59 HydrophobicContact CG2-CD1 3.85Å; I49-F59 HydrophobicContact CG2-CE1 3.85Å; I49-F59 HydrophobicContact CG2-CG 4.47Å; I49-F59 HydrophobicContact CG2-CZ 4.47Å; I49-F189 HydrophobicContact CB-CB 4.11Å; I49-F189 HydrophobicContact CB-CD1 4.09Å; I49-F189 HydrophobicContact CB-CG 4.2Å; I49-F189 HydrophobicContact CD1-CD1 4.24Å; I49-F189 HydrophobicContact CD1-CE1 4.43Å; I49-F189 HydrophobicContact CG2-CB 3.89Å; I49-F189 HydrophobicContact CG2-CD1 3.57Å; I49-F189 HydrophobicContact CG2-CD2 3.96Å; I49-F189 HydrophobicContact CG2-CE1 3.97Å; I49-F189 HydrophobicContact CG2-CE2 4.32Å; I49-F189 HydrophobicContact CG2-CG 3.55Å; I49-F189 HydrophobicContact CG2-CZ 4.34Å; I49-F198 HydrophobicContact CD1-CB 4.36Å; I49-F198 HydrophobicContact CD1-CD1 3.63Å; I49-F198 HydrophobicContact CD1-CD2 3.78Å; I49-F198 HydrophobicContact CD1-CE1 3.72Å; I49-F198 HydrophobicContact CD1-CE2 3.94Å; I49-F198 HydrophobicContact CD1-CG 3.64Å; I49-F198 HydrophobicContact CD1-CZ 3.87Å
50	T	97.9	Very high	95.6	Very high	1 Å²	1	23.8 Å²	23.8	1%	0.006	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.8	142.1	175.6	-176.3	0	0	0	0	111.2	F58 F60 A90 F91 R92 I105	T50-F58 PolarHBondContact N-O 2.96Å; T50-F58 PolarHBondContact O-N 3.21Å; T50-F60 HydrophobicContact CG2-CE2 4.15Å; T50-A90 HydrophobicContact CG2-CB 3.69Å; T50-F91 WeakPolarHBondContact OG1-CA 3.39Å; T50-R92 PolarHBondContact OG1-N 2.78Å; T50-I105 HydrophobicContact CG2-CG2 3.71Å
51	P	96.6	Very high	95.8	Very high	2 Å²	2	25.9 Å²	25.9	1%	0.013	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.7	156.6	163.5	30.8	-34.3	0	0	0	111.1	N56 R92	P51-N56 CarbonylContact C-O 3.6Å; P51-N56 WeakPolarHBondContact CA-O 3.31Å; P51-R92 HydrophobicContact CG-CB 4.03Å; P51-R92 WeakPolarHBondContact O-CB 3.46Å
52	N	94.3	Very high	95.8	Very high	4 Å²	4	26.2 Å²	26.2	2%	0.021	15%	0.153	C	C	.	.			trans	-97.8	-179.8	169.7	74.1	6.2	0	0	0	111.7	K54 G55 N56 F58 R92 I105	N52-K54 PolarHBondContact O-N 2.84Å; N52-K54 VanDerWaalsContact O-N 3.07Å; N52-K54 VanDerWaalsContact OD1-C 3.32Å; N52-K54 WeakPolarHBondContact OD1-CA 3.5Å; N52-K54 WeakPolarHBondContact OD1-CB 3.07Å; N52-K54 PolarHBondContact OD1-N 3.35Å; N52-G55 PolarHBondContact O-N 3.12Å; N52-G55 PolarHBondContact OD1-N 3.09Å; N52-N56 PolarHBondContact N-O 2.82Å; N52-N56 PolarHBondContact OD1-N 3.36Å; N52-N56 PolarHBondContact OD1-O 2.98Å; N52-F58 HydrophobicContact CB-CD2 3.92Å; N52-F58 HydrophobicContact CB-CE2 3.51Å; N52-F58 HydrophobicContact CB-CZ 4.43Å; N52-R92 VanDerWaalsContact O-CD 3.23Å; N52-R92 WeakPolarHBondContact O-CD 3.34Å; N52-R92 PolarHBondContact O-NH1 3.45Å; N52-I105 HydrophobicContact CB-CD1 3.64Å
53	E	93.5	Very high	95.8	Very high	21 Å²	21	26.7 Å²	26.7	10%	0.098	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.1	-179.9	75.5	-65	161.9	0	0	113.7	D103 F117 N118 R273	E53-D103 HydrophobicContact CB-CB 4.06Å; E53-F117 HydrophobicContact CB-CD2 4.48Å; E53-F117 HydrophobicContact CB-CE2 4.09Å; E53-F117 HydrophobicContact CG-CE2 4.44Å; E53-N118 PolarHBondContact OE1-OD1 3.4Å; E53-R273 WeakPolarHBondContact O-CD 3.48Å
54	K	93.9	Very high	96.1	Very high	114 Å²	114	26.7 Å²	26.7	50%	0.496	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	4.3	176.8	-59.8	173	-169.9	159.5	0	113	N52 N56 N118	N52-K54 PolarHBondContact O-N 2.84Å; N52-K54 VanDerWaalsContact O-N 3.07Å; N52-K54 VanDerWaalsContact OD1-C 3.32Å; N52-K54 WeakPolarHBondContact OD1-CA 3.5Å; N52-K54 WeakPolarHBondContact OD1-CB 3.07Å; N52-K54 PolarHBondContact OD1-N 3.35Å; K54-N56 VanDerWaalsContact C-N 3.32Å; K54-N56 PolarHBondContact O-N 3.21Å; K54-N118 PolarHBondContact NZ-OD1 3.29Å
55	G	93.7	Very high	96.2	Very high	6 Å²	6	25.5 Å²	25.5	6%	0.062	13%	0.133	C	C	.	.	S	Bend	trans	78.6	4.3	-179.7	0	0	0	0	0	116	N52 R273 D274	N52-G55 PolarHBondContact O-N 3.12Å; N52-G55 PolarHBondContact OD1-N 3.09Å; G55-R273 WeakPolarHBondContact CA-O 3.34Å; G55-D274 WeakPolarHBondContact CA-OD1 3.5Å
56	N	94.7	Very high	96.3	Very high	76 Å²	76	22 Å²	22	41%	0.406	12%	0.116	S	C	.	.	P	Polyproline II helix	trans	-77.8	128.3	172.1	-63.7	-74.4	0	0	0	110.2	P51 N52 K54 N67	P51-N56 CarbonylContact C-O 3.6Å; P51-N56 WeakPolarHBondContact CA-O 3.31Å; N52-N56 PolarHBondContact N-O 2.82Å; N52-N56 PolarHBondContact OD1-N 3.36Å; N52-N56 PolarHBondContact OD1-O 2.98Å; K54-N56 VanDerWaalsContact C-N 3.32Å; K54-N56 PolarHBondContact O-N 3.21Å; N56-N67 VanDerWaalsContact CB-OD1 3.24Å; N56-N67 WeakPolarHBondContact CB-OD1 3.45Å
57	T	96.9	Very high	96.2	Very high	2 Å²	2	24.3 Å²	24.3	1%	0.012	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	120.6	-179.5	-50.7	0	0	0	0	112	I49 F59 G68 F189	I49-T57 HydrophobicContact CG2-CG2 3.54Å; T57-F59 HydrophobicContact CG2-CD2 4.28Å; T57-F59 HydrophobicContact CG2-CE1 4.28Å; T57-F59 HydrophobicContact CG2-CE2 3.68Å; T57-F59 HydrophobicContact CG2-CZ 3.68Å; T57-G68 VanDerWaalsContact O-CA 3.31Å; T57-G68 WeakPolarHBondContact O-CA 3.2Å; T57-G68 PolarHBondContact O-N 2.84Å; T57-F189 HydrophobicContact CG2-CD2 4.09Å; T57-F189 HydrophobicContact CG2-CE2 3.87Å
58	F	97.4	Very high	95.9	Very high	1 Å²	1	23.1 Å²	23.1	0%	0.004	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	135.5	167.5	-70.9	-60	0	0	0	111.3	I49 T50 N52 F60 V65 W66 N67 F80 I105	I49-F58 VanDerWaalsContact CA-O 3.32Å; I49-F58 WeakPolarHBondContact CA-O 3.33Å; I49-F58 WeakPolarHBondContact CG2-O 3.28Å; T50-F58 PolarHBondContact N-O 2.96Å; T50-F58 PolarHBondContact O-N 3.21Å; N52-F58 HydrophobicContact CB-CD2 3.92Å; N52-F58 HydrophobicContact CB-CE2 3.51Å; N52-F58 HydrophobicContact CB-CZ 4.43Å; F58-F60 HydrophobicContact CB-CD2 4.22Å; F58-F60 HydrophobicContact CB-CE2 3.52Å; F58-F60 HydrophobicContact CB-CZ 4.01Å; F58-F60 HydrophobicContact CG-CE2 4.42Å; F58-F60 HydrophobicContact CG-CZ 4.47Å; F58-V65 HydrophobicContact CB-CG2 3.81Å; F58-V65 HydrophobicContact CD1-CG2 3.61Å; F58-V65 HydrophobicContact CE1-CG2 4.49Å; F58-V65 HydrophobicContact CG-CG2 4.03Å; F58-W66 VanDerWaalsContact CA-O 3.3Å; F58-W66 WeakPolarHBondContact CA-O 3.44Å; F58-N67 HydrophobicContact CD1-CB 4.03Å; F58-N67 HydrophobicContact CE1-CB 3.73Å; F58-F80 AromaticContact CD2-CZ 3.87Å; F58-F80 HydrophobicContact CD2-CZ 3.87Å; F58-F80 HydrophobicContact CE2-CE2 4.47Å; F58-F80 AromaticContact CE2-CZ 3.76Å; F58-F80 HydrophobicContact CE2-CZ 3.76Å; F58-F80 HydrophobicContact CG-CZ 4.41Å; F58-F80 HydrophobicContact CZ-CZ 4.24Å; F58-I105 HydrophobicContact CD2-CD1 4.36Å; F58-I105 HydrophobicContact CE2-CD1 4.17Å
59	F	97.9	Very high	95.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	120.4	171.6	-58	-99	0	0	0	108.3	F46 I49 T57 V65 W66 F69 F225	F46-F59 HydrophobicContact CD1-CB 3.79Å; F46-F59 HydrophobicContact CD2-CD1 4.06Å; F46-F59 HydrophobicContact CE1-CB 3.69Å; F46-F59 HydrophobicContact CE1-CD1 4.49Å; F46-F59 HydrophobicContact CE1-CG 4.43Å; F46-F59 AromaticContact CE2-CD1 3.87Å; F46-F59 HydrophobicContact CE2-CD1 3.87Å; F46-F59 HydrophobicContact CG-CB 4.29Å; F46-F59 HydrophobicContact CG-CD1 4.43Å; F46-F59 HydrophobicContact CZ-CB 4.09Å; F46-F59 HydrophobicContact CZ-CD1 4.11Å; F46-F59 HydrophobicContact CZ-CG 4.35Å; I49-F59 HydrophobicContact CB-CD1 4.5Å; I49-F59 HydrophobicContact CD1-CD1 3.84Å; I49-F59 HydrophobicContact CD1-CE1 4.1Å; I49-F59 HydrophobicContact CG1-CD1 3.86Å; I49-F59 HydrophobicContact CG1-CE1 4.44Å; I49-F59 HydrophobicContact CG2-CD1 3.85Å; I49-F59 HydrophobicContact CG2-CE1 3.85Å; I49-F59 HydrophobicContact CG2-CG 4.47Å; I49-F59 HydrophobicContact CG2-CZ 4.47Å; T57-F59 HydrophobicContact CG2-CD2 4.28Å; T57-F59 HydrophobicContact CG2-CE1 4.28Å; T57-F59 HydrophobicContact CG2-CE2 3.68Å; T57-F59 HydrophobicContact CG2-CZ 3.68Å; F59-V65 CarbonylContact O-C 3.45Å; F59-V65 VanDerWaalsContact O-CA 3.29Å; F59-V65 WeakPolarHBondContact O-CA 3.45Å; F59-V65 WeakPolarHBondContact O-CG2 3.2Å; F59-W66 HydrophobicContact CB-CB 4.33Å; F59-W66 HydrophobicContact CB-CE3 4.26Å; F59-W66 PolarHBondContact N-O 2.75Å; F59-W66 PolarHBondContact O-N 3.46Å; F59-F69 HydrophobicContact CE2-CD1 4.14Å; F59-F69 HydrophobicContact CE2-CE1 4.37Å; F59-F69 AromaticContact CZ-CD1 3.86Å; F59-F69 HydrophobicContact CZ-CD1 3.86Å; F59-F69 AromaticContact CZ-CE1 3.86Å; F59-F69 HydrophobicContact CZ-CE1 3.86Å; F59-F225 HydrophobicContact CE1-CB 4.29Å; F59-F225 HydrophobicContact CZ-CB 4.33Å
60	F	97.8	Very high	95.3	Very high	3 Å²	3	31.4 Å²	31.4	1%	0.013	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	138.5	-174.6	-66.3	-98.4	0	0	0	111.8	F46 D47 A48 T50 F58 V65 F80 I87 L107	F46-F60 CarbonylContact C-O 3.5Å; F46-F60 WeakPolarHBondContact CA-O 3.41Å; D47-F60 PolarHBondContact N-O 2.68Å; A48-F60 HydrophobicContact CB-CB 4.23Å; A48-F60 HydrophobicContact CB-CD2 4.11Å; A48-F60 HydrophobicContact CB-CG 4.44Å; A48-F60 PolarHBondContact O-N 3.28Å; T50-F60 HydrophobicContact CG2-CE2 4.15Å; F58-F60 HydrophobicContact CB-CD2 4.22Å; F58-F60 HydrophobicContact CB-CE2 3.52Å; F58-F60 HydrophobicContact CB-CZ 4.01Å; F58-F60 HydrophobicContact CG-CE2 4.42Å; F58-F60 HydrophobicContact CG-CZ 4.47Å; F60-V65 HydrophobicContact CD1-CB 3.95Å; F60-V65 HydrophobicContact CD1-CG2 3.78Å; F60-V65 HydrophobicContact CD2-CG2 4.21Å; F60-V65 HydrophobicContact CE1-CB 4.08Å; F60-V65 HydrophobicContact CE1-CG2 3.73Å; F60-V65 HydrophobicContact CE2-CG2 4.15Å; F60-V65 HydrophobicContact CG-CG2 4.05Å; F60-V65 HydrophobicContact CZ-CG2 3.93Å; F60-F80 AromaticContact CE1-CD2 3.77Å; F60-F80 HydrophobicContact CE1-CD2 3.77Å; F60-F80 AromaticContact CE1-CE2 3.39Å; F60-F80 HydrophobicContact CE1-CE2 3.39Å; F60-F80 HydrophobicContact CE1-CZ 4.09Å; F60-F80 HydrophobicContact CZ-CD2 4.1Å; F60-F80 HydrophobicContact CZ-CE1 4.47Å; F60-F80 AromaticContact CZ-CE2 3.32Å; F60-F80 HydrophobicContact CZ-CE2 3.32Å; F60-F80 AromaticContact CZ-CZ 3.54Å; F60-F80 HydrophobicContact CZ-CZ 3.54Å; F60-I87 HydrophobicContact CB-CD1 4.17Å; F60-I87 HydrophobicContact CB-CG1 4.15Å; F60-I87 HydrophobicContact CD1-CD1 3.69Å; F60-I87 HydrophobicContact CD1-CG1 4.17Å; F60-I87 HydrophobicContact CD2-CD1 3.85Å; F60-I87 HydrophobicContact CE1-CD1 3.9Å; F60-I87 HydrophobicContact CE2-CD1 4.06Å; F60-I87 HydrophobicContact CG-CD1 3.64Å; F60-I87 HydrophobicContact CG-CG1 4.12Å; F60-I87 HydrophobicContact CZ-CD1 4.07Å; F60-L107 HydrophobicContact CE2-CD2 4.4Å; F60-L107 HydrophobicContact CZ-CD1 4.45Å; F60-L107 HydrophobicContact CZ-CD2 4.1Å
61	K	96.9	Very high	95	Very high	56 Å²	56	32.2 Å²	32.2	24%	0.243	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	116.3	169	-175	49.5	165.3	-169.1	0	111.9	E45 D47 N63 H64 W66	E45-K61 WeakPolarHBondContact O-CD 3.4Å; E45-K61 WeakPolarHBondContact O-CE 3.41Å; E45-K61 PolarHBondContact O-NZ 3.4Å; D47-K61 WeakPolarHBondContact OD1-CD 3.05Å; D47-K61 IonicContact OD1-NZ 2.94Å; D47-K61 PolarHBondContact OD1-NZ 2.96Å; D47-K61 WeakPolarHBondContact OD2-CA 3.29Å; K61-N63 PolarHBondContact O-N 3.31Å; K61-H64 PolarHBondContact N-O 3.3Å; K61-H64 WeakPolarHBondContact O-CA 3.41Å; K61-H64 WeakPolarHBondContact O-CB 3.26Å; K61-H64 PolarHBondContact O-N 3.43Å; K61-W66 HydrophobicContact CB-CH2 4.12Å; K61-W66 HydrophobicContact CB-CZ3 3.65Å
62	G	94.8	Very high	94.8	Very high	30 Å²	30	36.4 Å²	36.4	31%	0.309	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.8	-128.3	-175.2	0	0	0	0	0	109.9	D47 H64	D47-G62 PolarHBondContact OD2-N 3.44Å; G62-H64 VanDerWaalsContact C-N 3.26Å; G62-H64 PolarHBondContact O-N 3.21Å
63	N	94.4	Very high	94.9	Very high	82 Å²	82	37.3 Å²	37.3	44%	0.439	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-89.3	13.8	174.9	-60.3	-19.4	0	0	0	113.3	K61 L75 S76 G85	K61-N63 PolarHBondContact O-N 3.31Å; N63-L75 CarbonylContact O-C 3.58Å; N63-L75 WeakPolarHBondContact O-CA 3.37Å; N63-S76 PolarHBondContact O-N 2.89Å; N63-S76 PolarHBondContact O-OG 3.27Å; N63-G85 VanDerWaalsContact OD1-CA 3.27Å; N63-G85 WeakPolarHBondContact OD1-CA 3.45Å
64	H	95.9	Very high	95	Very high	20 Å²	20	39.6 Å²	39.6	9%	0.093	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	151.8	-178.8	-63.4	83	0	0	0	111.6	P38 K61 G62 Q74	P38-H64 WeakPolarHBondContact CD-ND1 3.4Å; P38-H64 HydrophobicContact CG-CB 3.83Å; K61-H64 PolarHBondContact N-O 3.3Å; K61-H64 WeakPolarHBondContact O-CA 3.41Å; K61-H64 WeakPolarHBondContact O-CB 3.26Å; K61-H64 PolarHBondContact O-N 3.43Å; G62-H64 VanDerWaalsContact C-N 3.26Å; G62-H64 PolarHBondContact O-N 3.21Å; H64-Q74 CarbonylContact C-O 3.59Å; H64-Q74 WeakPolarHBondContact CA-O 3.38Å
65	V	96.6	Very high	95	Very high	0 Å²	0	37.4 Å²	37.4	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	143.4	173	68.6	0	0	0	0	109.1	F58 F59 F60 Q74	F58-V65 HydrophobicContact CB-CG2 3.81Å; F58-V65 HydrophobicContact CD1-CG2 3.61Å; F58-V65 HydrophobicContact CE1-CG2 4.49Å; F58-V65 HydrophobicContact CG-CG2 4.03Å; F59-V65 CarbonylContact O-C 3.45Å; F59-V65 VanDerWaalsContact O-CA 3.29Å; F59-V65 WeakPolarHBondContact O-CA 3.45Å; F59-V65 WeakPolarHBondContact O-CG2 3.2Å; F60-V65 HydrophobicContact CD1-CB 3.95Å; F60-V65 HydrophobicContact CD1-CG2 3.78Å; F60-V65 HydrophobicContact CD2-CG2 4.21Å; F60-V65 HydrophobicContact CE1-CB 4.08Å; F60-V65 HydrophobicContact CE1-CG2 3.73Å; F60-V65 HydrophobicContact CE2-CG2 4.15Å; F60-V65 HydrophobicContact CG-CG2 4.05Å; F60-V65 HydrophobicContact CZ-CG2 3.93Å; V65-Q74 PolarHBondContact N-O 3.07Å; V65-Q74 PolarHBondContact O-N 2.91Å
66	W	96.8	Very high	95.1	Very high	7 Å²	7	37.4 Å²	37.4	3%	0.027	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	133.2	165.6	-70.4	-86.2	0	0	0	110.1	P38 R40 V44 F46 F58 F59 K61 A73	P38-W66 HydrophobicContact CB-CH2 3.83Å; P38-W66 HydrophobicContact CB-CZ2 4.17Å; P38-W66 HydrophobicContact CG-CH2 3.51Å; P38-W66 HydrophobicContact CG-CZ2 3.88Å; P38-W66 HydrophobicContact CG-CZ3 4.35Å; P38-W66 VanDerWaalsContact O-CZ2 3.22Å; P38-W66 WeakPolarHBondContact O-CZ2 3.24Å; R40-W66 HydrophobicContact CB-CD2 4.45Å; R40-W66 HydrophobicContact CB-CH2 4.16Å; R40-W66 HydrophobicContact CB-CZ2 3.67Å; R40-W66 HydrophobicContact CG-CZ2 4.42Å; R40-W66 VanDerWaalsContact NE-CG 3.29Å; V44-W66 HydrophobicContact CG2-CH2 4.43Å; F46-W66 HydrophobicContact CD1-CE3 4.32Å; F46-W66 HydrophobicContact CD1-CZ3 4.01Å; F46-W66 AromaticContact CE1-CE3 3.69Å; F46-W66 HydrophobicContact CE1-CE3 3.69Å; F46-W66 HydrophobicContact CE1-CH2 4.21Å; F46-W66 AromaticContact CE1-CZ3 3.51Å; F46-W66 HydrophobicContact CE1-CZ3 3.51Å; F58-W66 VanDerWaalsContact CA-O 3.3Å; F58-W66 WeakPolarHBondContact CA-O 3.44Å; F59-W66 HydrophobicContact CB-CB 4.33Å; F59-W66 HydrophobicContact CB-CE3 4.26Å; F59-W66 PolarHBondContact N-O 2.75Å; F59-W66 PolarHBondContact O-N 3.46Å; K61-W66 HydrophobicContact CB-CH2 4.12Å; K61-W66 HydrophobicContact CB-CZ3 3.65Å; W66-A73 VanDerWaalsContact CD1-CA 3.44Å; W66-A73 HydrophobicContact CD2-CB 4.24Å; W66-A73 HydrophobicContact CG-CB 4.46Å; W66-A73 HydrophobicContact CZ2-CB 3.94Å; W66-A73 VanDerWaalsContact NE1-CB 3.34Å
67	N	94.6	Very high	95	Very high	50 Å²	50	36.7 Å²	36.7	27%	0.267	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	110.5	173.4	-170.8	3.6	0	0	0	110.3	N56 F58 G71	N56-N67 VanDerWaalsContact CB-OD1 3.24Å; N56-N67 WeakPolarHBondContact CB-OD1 3.45Å; F58-N67 HydrophobicContact CD1-CB 4.03Å; F58-N67 HydrophobicContact CE1-CB 3.73Å; N67-G71 WeakPolarHBondContact O-CA 3.33Å
68	G	93.6	Very high	94.7	Very high	9 Å²	9	42 Å²	42	9%	0.093	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.2	178	-177.7	0	0	0	0	0	114.6	R40 T57 T70	R40-G68 PolarHBondContact NH1-O 2.83Å; R40-G68 VanDerWaalsContact NH1-O 3.12Å; R40-G68 PolarHBondContact NH2-O 3.44Å; R40-G68 VanDerWaalsContact NH2-O 3.11Å; T57-G68 VanDerWaalsContact O-CA 3.31Å; T57-G68 WeakPolarHBondContact O-CA 3.2Å; T57-G68 PolarHBondContact O-N 2.84Å; G68-T70 VanDerWaalsContact C-N 3.27Å; G68-T70 PolarHBondContact O-N 3.48Å
69	F	92	Very high	94.5	Very high	59 Å²	59	42.7 Å²	42.7	26%	0.259	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.6	-19.9	-176.3	-54	-71.3	0	0	0	113.4	F59 W191 F225 M226	F59-F69 HydrophobicContact CE2-CD1 4.14Å; F59-F69 HydrophobicContact CE2-CE1 4.37Å; F59-F69 AromaticContact CZ-CD1 3.86Å; F59-F69 HydrophobicContact CZ-CD1 3.86Å; F59-F69 AromaticContact CZ-CE1 3.86Å; F59-F69 HydrophobicContact CZ-CE1 3.86Å; F69-W191 HydrophobicContact CE2-CZ2 4.24Å; F69-W191 HydrophobicContact CZ-CD2 4.36Å; F69-W191 AromaticContact CZ-CE2 3.89Å; F69-W191 HydrophobicContact CZ-CZ2 4.11Å; F69-W191 AromaticContact CZ-NE1 3.96Å; F69-F225 HydrophobicContact CD1-CB 4.36Å; F69-F225 WeakPolarHBondContact CD1-O 3.41Å; F69-F225 HydrophobicContact CE1-CB 4.49Å; F69-F225 AromaticContact CE1-CD1 3.93Å; F69-F225 HydrophobicContact CE1-CD1 3.93Å; F69-M226 WeakPolarHBondContact O-CA 3.44Å
70	T	91.3	Very high	94.3	Very high	116 Å²	116	42.7 Å²	42.7	71%	0.712	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-123.4	-10.2	-174.1	58.1	0	0	0	0	114.6	G68	G68-T70 VanDerWaalsContact C-N 3.27Å; G68-T70 PolarHBondContact O-N 3.48Å
71	G	90.9	Very high	94	Very high	18 Å²	18	49.4 Å²	49.4	19%	0.186	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-64.6	158.4	-176.4	0	0	0	0	0	113.7	R40 N67	R40-G71 PolarHBondContact NH2-O 2.82Å; N67-G71 WeakPolarHBondContact O-CA 3.33Å
72	P	93.9	Very high	93.7	Very high	90 Å²	90	53.3 Å²	53.3	58%	0.584	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-72.1	161.8	173.7	32.2	-35.6	0	0	0	111.6	Q74	P72-Q74 HydrophobicContact CG-CG 4.49Å
73	A	95.7	Very high	93.6	Very high	23 Å²	23	52 Å²	52	19%	0.19	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.2	136	167.5	0	0	0	0	0	109.2	A37 W66	A37-A73 HydrophobicContact CB-CB 3.96Å; W66-A73 VanDerWaalsContact CD1-CA 3.44Å; W66-A73 HydrophobicContact CD2-CB 4.24Å; W66-A73 HydrophobicContact CG-CB 4.46Å; W66-A73 HydrophobicContact CZ2-CB 3.94Å; W66-A73 VanDerWaalsContact NE1-CB 3.34Å
74	Q	95.4	Very high	93.2	Very high	70 Å²	70	54 Å²	54	33%	0.327	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	157.6	177.6	-66.8	-176.8	-36.2	0	0	109.2	H64 V65 P72 S76 L78 H79	H64-Q74 CarbonylContact C-O 3.59Å; H64-Q74 WeakPolarHBondContact CA-O 3.38Å; V65-Q74 PolarHBondContact N-O 3.07Å; V65-Q74 PolarHBondContact O-N 2.91Å; P72-Q74 HydrophobicContact CG-CG 4.49Å; Q74-S76 PolarHBondContact O-N 3.11Å; Q74-L78 HydrophobicContact CB-CD1 4.28Å; Q74-H79 PolarHBondContact OE1-CE1 2.75Å; Q74-H79 PolarHBondContact OE1-NE2 3.3Å
75	L	94.8	Very high	92.9	Very high	68 Å²	68	54.1 Å²	54.1	36%	0.356	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	134.2	171.5	-68.7	172.9	0	0	0	109.7	N63 S77 L78	N63-L75 CarbonylContact O-C 3.58Å; N63-L75 WeakPolarHBondContact O-CA 3.37Å; L75-S77 PolarHBondContact O-N 2.8Å; L75-L78 HydrophobicContact CB-CD1 4.31Å; L75-L78 HydrophobicContact CB-CG 4.22Å; L75-L78 WeakPolarHBondContact O-CB 3.06Å; L75-L78 PolarHBondContact O-N 2.77Å; L75-L78 VanDerWaalsContact O-N 3.1Å
76	S	94.8	Very high	92.8	Very high	5 Å²	5	57.2 Å²	57.2	4%	0.035	32%	0.32	C	S	.	.	G	3₁₀ helix	trans	-58.9	-35	178.7	55.7	0	0	0	0	111.7	N63 Q74 L78 H79 F80	N63-S76 PolarHBondContact O-N 2.89Å; N63-S76 PolarHBondContact O-OG 3.27Å; Q74-S76 PolarHBondContact O-N 3.11Å; S76-L78 PolarHBondContact O-N 2.93Å; S76-H79 PolarHBondContact O-N 2.99Å; S76-F80 WeakPolarHBondContact O-CD2 3.38Å; S76-F80 PolarHBondContact O-N 3.3Å
77	S	92.4	Very high	92.7	Very high	62 Å²	62	57 Å²	57	43%	0.434	32%	0.32	S	S	.	.	G	3₁₀ helix	trans	-61	-14.6	177.6	64.5	0	0	0	0	114.9	L75	L75-S77 PolarHBondContact O-N 2.8Å
78	L	91.4	Very high	92.8	Very high	112 Å²	112	57.1 Å²	57.1	59%	0.586	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-75	-27.5	173.2	-64.9	173.5	0	0	0	112.5	Q74 L75 S76	Q74-L78 HydrophobicContact CB-CD1 4.28Å; L75-L78 HydrophobicContact CB-CD1 4.31Å; L75-L78 HydrophobicContact CB-CG 4.22Å; L75-L78 WeakPolarHBondContact O-CB 3.06Å; L75-L78 PolarHBondContact O-N 2.77Å; L75-L78 VanDerWaalsContact O-N 3.1Å; S76-L78 PolarHBondContact O-N 2.93Å
79	H	91.9	Very high	93.1	Very high	17 Å²	17	56.7 Å²	56.7	8%	0.079	32%	0.316	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.5	-26.4	-179.5	-62.2	-86.2	0	0	0	112.4	Q74 S76 Q119	Q74-H79 PolarHBondContact OE1-CE1 2.75Å; Q74-H79 PolarHBondContact OE1-NE2 3.3Å; S76-H79 PolarHBondContact O-N 2.99Å; H79-Q119 HydrophobicContact CB-CG 4.49Å; H79-Q119 VanDerWaalsContact O-CB 3.25Å; H79-Q119 WeakPolarHBondContact O-CB 3.4Å
80	F	95.4	Very high	93.4	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.304	C	S	.	.	S	Bend	trans	-126.3	85.2	-174.8	-55.6	-76.4	0	0	0	108.8	F58 F60 S76 L83 I105 L107 Y116	F58-F80 AromaticContact CD2-CZ 3.87Å; F58-F80 HydrophobicContact CD2-CZ 3.87Å; F58-F80 HydrophobicContact CE2-CE2 4.47Å; F58-F80 AromaticContact CE2-CZ 3.76Å; F58-F80 HydrophobicContact CE2-CZ 3.76Å; F58-F80 HydrophobicContact CG-CZ 4.41Å; F58-F80 HydrophobicContact CZ-CZ 4.24Å; F60-F80 AromaticContact CE1-CD2 3.77Å; F60-F80 HydrophobicContact CE1-CD2 3.77Å; F60-F80 AromaticContact CE1-CE2 3.39Å; F60-F80 HydrophobicContact CE1-CE2 3.39Å; F60-F80 HydrophobicContact CE1-CZ 4.09Å; F60-F80 HydrophobicContact CZ-CD2 4.1Å; F60-F80 HydrophobicContact CZ-CE1 4.47Å; F60-F80 AromaticContact CZ-CE2 3.32Å; F60-F80 HydrophobicContact CZ-CE2 3.32Å; F60-F80 AromaticContact CZ-CZ 3.54Å; F60-F80 HydrophobicContact CZ-CZ 3.54Å; S76-F80 WeakPolarHBondContact O-CD2 3.38Å; S76-F80 PolarHBondContact O-N 3.3Å; F80-L83 HydrophobicContact CB-CB 3.85Å; F80-L83 HydrophobicContact CB-CD2 3.81Å; F80-L83 HydrophobicContact CG-CD2 4.3Å; F80-L83 WeakPolarHBondContact O-CB 3.26Å; F80-L83 PolarHBondContact O-N 2.93Å; F80-I105 HydrophobicContact CE1-CD1 4.43Å; F80-L107 HydrophobicContact CB-CD1 4.46Å; F80-L107 HydrophobicContact CD1-CD1 3.61Å; F80-L107 HydrophobicContact CD2-CD1 4.45Å; F80-L107 HydrophobicContact CE1-CD1 3.9Å; F80-L107 HydrophobicContact CG-CD1 3.9Å; F80-L107 HydrophobicContact CZ-CD1 4.47Å; F80-Y116 HydrophobicContact CB-CE1 4.05Å; F80-Y116 HydrophobicContact CB-CE2 4.37Å; F80-Y116 AromaticContact CD1-CD1 3.98Å; F80-Y116 HydrophobicContact CD1-CD1 3.98Å; F80-Y116 AromaticContact CD1-CD2 3.85Å; F80-Y116 HydrophobicContact CD1-CD2 3.85Å; F80-Y116 HydrophobicContact CD1-CE1 4.17Å; F80-Y116 HydrophobicContact CD1-CE2 4.03Å; F80-Y116 AromaticContact CD1-CG 3.83Å; F80-Y116 HydrophobicContact CD1-CG 3.83Å; F80-Y116 HydrophobicContact CE1-CD2 4.48Å; F80-Y116 HydrophobicContact CE1-CG 4.4Å
81	K	91.1	Very high	93.7	Very high	144 Å²	144	48.4 Å²	48.4	63%	0.626	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.3	142.5	177.7	-66.4	-177.4	-177	173.9	0	109.7	L83 Y116	K81-L83 PolarHBondContact O-N 2.81Å; K81-L83 VanDerWaalsContact O-N 3.09Å; K81-Y116 PolarHBondContact O-OH 3.2Å
82	E	90.5	Very high	94	Very high	137 Å²	137	48 Å²	48	64%	0.64	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.7	-7.2	178.1	-51.3	171.6	-153.1	0	0	115.2	N84 L121	E82-N84 PolarHBondContact O-N 2.04Å; E82-N84 PolarHBondContact O-ND2 2.74Å; E82-L121 HydrophobicContact CB-CD2 4.18Å; E82-L121 WeakPolarHBondContact OE2-CD2 3.47Å
83	L	91.6	Very high	94.2	Very high	4 Å²	4	44 Å²	44	2%	0.021	24%	0.236	C	C	.	.			trans	-70.8	121.4	165.3	-171.3	67.8	0	0	0	110	F80 K81 I87 L107 Y114	F80-L83 HydrophobicContact CB-CB 3.85Å; F80-L83 HydrophobicContact CB-CD2 3.81Å; F80-L83 HydrophobicContact CG-CD2 4.3Å; F80-L83 WeakPolarHBondContact O-CB 3.26Å; F80-L83 PolarHBondContact O-N 2.93Å; K81-L83 PolarHBondContact O-N 2.81Å; K81-L83 VanDerWaalsContact O-N 3.09Å; L83-I87 HydrophobicContact CD1-CG2 3.8Å; L83-I87 HydrophobicContact CD2-CG2 3.9Å; L83-I87 HydrophobicContact CG-CG2 4.33Å; L83-L107 HydrophobicContact CD2-CD1 3.81Å; L83-Y114 HydrophobicContact CD1-CD2 4.03Å; L83-Y114 HydrophobicContact CD1-CE1 4.44Å; L83-Y114 HydrophobicContact CD1-CE2 3.92Å; L83-Y114 HydrophobicContact CD1-CG 4.35Å
84	N	87.7	Confident	94.1	Very high	124 Å²	124	45.2 Å²	45.2	66%	0.663	24%	0.238	S	C	*	.			trans	-123.2	110.5	179.9	-67.2	-71.3	0	0	0	110.3	E82 Q109	E82-N84 PolarHBondContact O-N 2.04Å; E82-N84 PolarHBondContact O-ND2 2.74Å; N84-Q109 PolarHBondContact O-NE2 3.48Å; N84-Q109 PolarHBondContact O-OE1 3.29Å
85	G	88.8	Confident	93.8	Very high	21 Å²	21	42.8 Å²	42.8	22%	0.216	23%	0.227	C	C	.	.	S	Bend	trans	102.3	-178	177.4	0	0	0	0	0	114.1	N63	N63-G85 VanDerWaalsContact OD1-CA 3.27Å; N63-G85 WeakPolarHBondContact OD1-CA 3.45Å
86	P	93.4	Very high	93.3	Very high	65 Å²	65	43.5 Å²	43.5	42%	0.422	24%	0.235	S	C	.	.			trans	-69.2	154.4	175.6	29.8	-34.2	0	0	0	111.5
87	I	96.6	Very high	92.8	Very high	4 Å²	4	50.4 Å²	50.4	2%	0.021	27%	0.266	C	S	.	.			trans	-109.8	156	172	60.4	171.1	0	0	0	109.5	D47 A48 F60 L83 A90 L107 F108	D47-I87 WeakPolarHBondContact CB-O 3.46Å; A48-I87 HydrophobicContact CB-CD1 3.59Å; A48-I87 HydrophobicContact CB-CG1 3.81Å; F60-I87 HydrophobicContact CB-CD1 4.17Å; F60-I87 HydrophobicContact CB-CG1 4.15Å; F60-I87 HydrophobicContact CD1-CD1 3.69Å; F60-I87 HydrophobicContact CD1-CG1 4.17Å; F60-I87 HydrophobicContact CD2-CD1 3.85Å; F60-I87 HydrophobicContact CE1-CD1 3.9Å; F60-I87 HydrophobicContact CE2-CD1 4.06Å; F60-I87 HydrophobicContact CG-CD1 3.64Å; F60-I87 HydrophobicContact CG-CG1 4.12Å; F60-I87 HydrophobicContact CZ-CD1 4.07Å; L83-I87 HydrophobicContact CD1-CG2 3.8Å; L83-I87 HydrophobicContact CD2-CG2 3.9Å; L83-I87 HydrophobicContact CG-CG2 4.33Å; I87-A90 HydrophobicContact CD1-CB 4.22Å; I87-L107 HydrophobicContact CD1-CB 4.27Å; I87-L107 HydrophobicContact CD1-CD1 4.36Å; I87-L107 HydrophobicContact CD1-CD2 3.8Å; I87-L107 HydrophobicContact CD1-CG 4.37Å; I87-L107 HydrophobicContact CG2-CB 4.29Å; I87-F108 CarbonylContact C-O 3.33Å; I87-F108 WeakPolarHBondContact CA-O 3.25Å; I87-F108 WeakPolarHBondContact CB-O 3.48Å
88	N	96.1	Very high	92.6	Very high	51 Å²	51	50 Å²	50	27%	0.273	26%	0.26	S	S	.	.	S	Bend	trans	-104.2	-23.1	-176.4	-46	91.1	0	0	0	113.5	D47 F108 Q109 D110 L140 D141	D47-N88 CarbonylContact O-C 3.39Å; D47-N88 VanDerWaalsContact O-O 3.06Å; N88-F108 PolarHBondContact N-O 2.86Å; N88-Q109 WeakPolarHBondContact OD1-CA 3.25Å; N88-D110 PolarHBondContact OD1-N 3.47Å; N88-L140 WeakPolarHBondContact CB-O 3.23Å; N88-D141 CarbonylContact O-C 3.6Å; N88-D141 VanDerWaalsContact O-O 3.08Å
89	A	98.5	Very high	92.3	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	155.8	178.7	0	0	0	0	0	109.8	F108 L140 A143	A89-F108 HydrophobicContact CB-CB 4.08Å; A89-F108 HydrophobicContact CB-CD2 4.2Å; A89-F108 HydrophobicContact CB-CG 4.38Å; A89-F108 PolarHBondContact O-N 3.35Å; A89-L140 HydrophobicContact CB-CB 4.08Å; A89-A143 HydrophobicContact CB-CB 3.97Å
90	A	98.5	Very high	92	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.008	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	152.8	172.3	0	0	0	0	0	110.5	A48 T50 I87 Y106 L107	A48-A90 HydrophobicContact CB-CB 3.79Å; T50-A90 HydrophobicContact CG2-CB 3.69Å; I87-A90 HydrophobicContact CD1-CB 4.22Å; A90-Y106 WeakPolarHBondContact CA-O 3.28Å; A90-L107 HydrophobicContact CB-CD2 3.54Å
91	F	98.5	Very high	91.5	Very high	1 Å²	1	57.2 Å²	57.2	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	163.9	166	72.8	-86.2	0	0	0	110.3	T50 M93 Y106 F108 F133 A143 E145 V156 F158	T50-F91 WeakPolarHBondContact OG1-CA 3.39Å; F91-M93 HydrophobicContact CE2-CB 4.16Å; F91-M93 HydrophobicContact CE2-CE 3.73Å; F91-M93 HydrophobicContact CE2-SD 3.99Å; F91-M93 HydrophobicContact CZ-CE 3.81Å; F91-Y106 HydrophobicContact CE1-CD2 4.46Å; F91-Y106 HydrophobicContact CE1-CG 4.07Å; F91-Y106 AromaticContact CE2-CD2 3.99Å; F91-Y106 HydrophobicContact CE2-CD2 3.99Å; F91-Y106 HydrophobicContact CE2-CG 4.4Å; F91-Y106 AromaticContact CZ-CD2 3.81Å; F91-Y106 HydrophobicContact CZ-CD2 3.81Å; F91-Y106 AromaticContact CZ-CG 3.8Å; F91-Y106 HydrophobicContact CZ-CG 3.8Å; F91-Y106 PolarHBondContact N-O 2.76Å; F91-Y106 VanDerWaalsContact N-O 3.08Å; F91-Y106 PolarHBondContact O-N 3.46Å; F91-F108 AromaticContact CD1-CE2 3.72Å; F91-F108 HydrophobicContact CD1-CE2 3.72Å; F91-F108 HydrophobicContact CD1-CZ 4.38Å; F91-F108 AromaticContact CE1-CE2 3.51Å; F91-F108 HydrophobicContact CE1-CE2 3.51Å; F91-F108 AromaticContact CE1-CZ 3.74Å; F91-F108 HydrophobicContact CE1-CZ 3.74Å; F91-F133 HydrophobicContact CE1-CE1 4.46Å; F91-F133 HydrophobicContact CE1-CZ 4.18Å; F91-F133 AromaticContact CZ-CE1 3.95Å; F91-F133 HydrophobicContact CZ-CE1 3.95Å; F91-F133 AromaticContact CZ-CZ 3.76Å; F91-F133 HydrophobicContact CZ-CZ 3.76Å; F91-A143 HydrophobicContact CB-CB 4.22Å; F91-A143 HydrophobicContact CD1-CB 3.76Å; F91-A143 HydrophobicContact CG-CB 4.41Å; F91-E145 HydrophobicContact CD2-CB 4.26Å; F91-V156 HydrophobicContact CD1-CG1 3.77Å; F91-V156 HydrophobicContact CD2-CG1 4.11Å; F91-V156 HydrophobicContact CD2-CG2 4.09Å; F91-V156 HydrophobicContact CE1-CG1 3.76Å; F91-V156 HydrophobicContact CE1-CG2 4.36Å; F91-V156 HydrophobicContact CE2-CG1 4.12Å; F91-V156 HydrophobicContact CE2-CG2 3.54Å; F91-V156 HydrophobicContact CG-CG1 3.96Å; F91-V156 HydrophobicContact CZ-CB 4.44Å; F91-V156 HydrophobicContact CZ-CG1 3.96Å; F91-V156 HydrophobicContact CZ-CG2 3.7Å; F91-F158 HydrophobicContact CD1-CE1 4.25Å; F91-F158 AromaticContact CE1-CE1 3.86Å; F91-F158 HydrophobicContact CE1-CE1 3.86Å; F91-F158 AromaticContact CE1-CZ 3.92Å; F91-F158 HydrophobicContact CE1-CZ 3.92Å; F91-F158 HydrophobicContact CZ-CZ 4.49Å
92	R	97.8	Very high	91.6	Very high	8 Å²	8	52.2 Å²	52.2	3%	0.03	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	120.3	171.4	-175.5	-177.6	65.4	-171.4	-3.8	108.8	T50 P51 N52 H94 D103 H104 E145 R273 D274	T50-R92 PolarHBondContact OG1-N 2.78Å; P51-R92 HydrophobicContact CG-CB 4.03Å; P51-R92 WeakPolarHBondContact O-CB 3.46Å; N52-R92 VanDerWaalsContact O-CD 3.23Å; N52-R92 WeakPolarHBondContact O-CD 3.34Å; N52-R92 PolarHBondContact O-NH1 3.45Å; R92-H94 PolarHBondContact O-N 2.03Å; R92-D103 HydrophobicContact CG-CB 4.46Å; R92-D103 IonicContact NE-OD1 3.77Å; R92-H104 CarbonylContact C-O 3.59Å; R92-H104 WeakPolarHBondContact CA-O 3.24Å; R92-E145 WeakPolarHBondContact O-CB 3.32Å; R92-E145 VanDerWaalsContact O-CG 3.27Å; R92-E145 WeakPolarHBondContact O-CG 3.07Å; R92-R273 VanDerWaalsContact NH1-NH2 3.18Å; R92-R273 VanDerWaalsContact NH2-NH2 3.15Å; R92-D274 IonicContact CZ-OD1 3.53Å; R92-D274 IonicContact CZ-OD2 2.99Å; R92-D274 IonicContact NH1-OD1 3.51Å; R92-D274 PolarHBondContact NH1-OD1 2.8Å; R92-D274 IonicContact NH1-OD2 3.8Å; R92-D274 IonicContact NH2-OD1 3.45Å; R92-D274 PolarHBondContact NH2-OD1 3.03Å; R92-D274 IonicContact NH2-OD2 3.8Å; R92-D274 PolarHBondContact NH2-OD2 3.02Å
93	M	96.9	Very high	91.8	Very high	7 Å²	7	46.6 Å²	46.6	3%	0.034	26%	0.258	C	S	.	.			trans	-59.2	130.3	-176.8	-176.4	63	75.1	0	0	111.7	F91 N95 D101 D103 H104 Y106 F133 I169	F91-M93 HydrophobicContact CE2-CB 4.16Å; F91-M93 HydrophobicContact CE2-CE 3.73Å; F91-M93 HydrophobicContact CE2-SD 3.99Å; F91-M93 HydrophobicContact CZ-CE 3.81Å; M93-N95 HydrophobicContact CG-CB 4.02Å; M93-N95 HydrophobicContact SD-CB 4.3Å; M93-D101 VanDerWaalsContact CB-O 3.3Å; M93-D101 WeakPolarHBondContact CB-O 3.4Å; M93-D101 HydrophobicContact CG-CB 4.44Å; M93-D101 VanDerWaalsContact CG-O 3.25Å; M93-D101 WeakPolarHBondContact CG-O 3.35Å; M93-D103 WeakPolarHBondContact O-CA 3.46Å; M93-D103 PolarHBondContact O-N 2.8Å; M93-H104 PolarHBondContact N-O 2.81Å; M93-Y106 HydrophobicContact CB-CD2 4.08Å; M93-Y106 HydrophobicContact CB-CE2 3.76Å; M93-Y106 HydrophobicContact CE-CD2 4.11Å; M93-Y106 HydrophobicContact CE-CE2 3.57Å; M93-Y106 HydrophobicContact CG-CE2 4.3Å; M93-F133 HydrophobicContact CE-CE1 4.13Å; M93-F133 HydrophobicContact CE-CZ 4.17Å; M93-I169 HydrophobicContact SD-CD1 3.61Å; M93-I169 HydrophobicContact SD-CG1 4.24Å
94	H	93.3	Very high	92.1	Very high	49 Å²	49	47 Å²	47	23%	0.227	26%	0.259	C	S	.	.			trans	-114.3	93.6	168.1	-172.9	86.5	0	0	0	109	R92 H102 E145 P147 D154 I169	R92-H94 PolarHBondContact O-N 2.03Å; H94-H102 AromaticContact CE1-CE1 3.78Å; H94-H102 AromaticContact ND1-CE1 3.43Å; H94-H102 PolarHBondContact ND1-CE1 2.83Å; H94-E145 HydrophobicContact CB-CB 4.34Å; H94-E145 HydrophobicContact CB-CG 4.25Å; H94-P147 HydrophobicContact CB-CG 4.03Å; H94-P147 WeakPolarHBondContact CD2-CB 3.35Å; H94-D154 IonicContact CD2-OD1 3.66Å; H94-D154 PolarHBondContact CD2-OD1 3.49Å; H94-I169 WeakPolarHBondContact O-CD1 3.38Å
95	N	90.1	Very high	92.5	Very high	18 Å²	18	41.2 Å²	41.2	10%	0.096	23%	0.228	C	C	.	.			trans	-133.6	83.3	175.7	-173.9	-2.6	0	0	0	109.6	M93 E97 N98 H102 I169	M93-N95 HydrophobicContact CG-CB 4.02Å; M93-N95 HydrophobicContact SD-CB 4.3Å; N95-E97 PolarHBondContact O-N 3.38Å; N95-E97 PolarHBondContact OD1-N 2.9Å; N95-N98 WeakPolarHBondContact ND2-CB 3.05Å; N95-N98 CarbonylContact O-C 3.55Å; N95-N98 PolarHBondContact O-N 3.19Å; N95-N98 VanDerWaalsContact O-O 3.07Å; N95-N98 PolarHBondContact OD1-N 2.8Å; N95-H102 PolarHBondContact N-ND1 2.95Å; N95-H102 VanDerWaalsContact N-ND1 3.18Å; N95-H102 WeakPolarHBondContact O-CB 2.84Å; N95-H102 PolarHBondContact O-ND1 3.09Å; N95-I169 HydrophobicContact CB-CG2 4.3Å; N95-I169 WeakPolarHBondContact ND2-CG2 3.37Å
96	T	84.1	Confident	93	Very high	83 Å²	83	40.5 Å²	40.5	51%	0.509	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.2	-176.6	52.7	0	0	0	0	113
97	E	85	Confident	93.2	Very high	151 Å²	151	37.4 Å²	37.4	71%	0.706	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-21.4	175.5	-61.7	-170.7	167.9	0	0	113	N95	N95-E97 PolarHBondContact O-N 3.38Å; N95-E97 PolarHBondContact OD1-N 2.9Å
98	N	87.8	Confident	93.3	Very high	54 Å²	54	37.3 Å²	37.3	29%	0.289	20%	0.198	S	C	.	.			trans	-122.2	89.8	171.4	-169.8	8.3	0	0	0	111.3	N95 D100 D101 H102	N95-N98 WeakPolarHBondContact ND2-CB 3.05Å; N95-N98 CarbonylContact O-C 3.55Å; N95-N98 PolarHBondContact O-N 3.19Å; N95-N98 VanDerWaalsContact O-O 3.07Å; N95-N98 PolarHBondContact OD1-N 2.8Å; N98-D100 PolarHBondContact O-N 3.36Å; N98-D100 VanDerWaalsContact O-N 3.15Å; N98-D100 PolarHBondContact OD1-N 2.96Å; N98-D101 PolarHBondContact ND2-OD2 2.96Å; N98-D101 PolarHBondContact O-N 2.7Å; N98-H102 PolarHBondContact O-N 2.81Å; N98-H102 VanDerWaalsContact O-N 3.15Å
99	P	84.4	Confident	93.4	Very high	97 Å²	97	36.4 Å²	36.4	63%	0.63	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-27.4	-178.9	-25.3	35	0	0	0	114.3	D101 H102	P99-D101 PolarHBondContact O-N 3.46Å; P99-H102 PolarHBondContact O-N 2.88Å
100	D	85.5	Confident	93.2	Very high	130 Å²	130	39.8 Å²	39.8	70%	0.695	21%	0.211	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-13.2	-179.5	-66.8	-24.7	0	0	0	112.9	N98 H104	N98-D100 PolarHBondContact O-N 3.36Å; N98-D100 VanDerWaalsContact O-N 3.15Å; N98-D100 PolarHBondContact OD1-N 2.96Å; D100-H104 PolarHBondContact O-CE1 3.11Å; D100-H104 PolarHBondContact O-NE2 3.21Å; D100-H104 VanDerWaalsContact O-NE2 3.09Å
101	D	86.3	Confident	93.1	Very high	53 Å²	53	42.6 Å²	42.6	28%	0.283	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110	-13.2	172	-64.9	-20.3	0	0	0	111.8	M93 N98 P99 H104	M93-D101 VanDerWaalsContact CB-O 3.3Å; M93-D101 WeakPolarHBondContact CB-O 3.4Å; M93-D101 HydrophobicContact CG-CB 4.44Å; M93-D101 VanDerWaalsContact CG-O 3.25Å; M93-D101 WeakPolarHBondContact CG-O 3.35Å; N98-D101 PolarHBondContact ND2-OD2 2.96Å; N98-D101 PolarHBondContact O-N 2.7Å; P99-D101 PolarHBondContact O-N 3.46Å; D101-H104 WeakPolarHBondContact O-CB 3.31Å; D101-H104 PolarHBondContact O-N 3.17Å
102	H	92.6	Very high	93	Very high	38 Å²	38	46.6 Å²	46.6	18%	0.176	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	137.3	-174.1	-169	82	0	0	0	111.3	H94 N95 N98 P99 H104	H94-H102 AromaticContact CE1-CE1 3.78Å; H94-H102 AromaticContact ND1-CE1 3.43Å; H94-H102 PolarHBondContact ND1-CE1 2.83Å; N95-H102 PolarHBondContact N-ND1 2.95Å; N95-H102 VanDerWaalsContact N-ND1 3.18Å; N95-H102 WeakPolarHBondContact O-CB 2.84Å; N95-H102 PolarHBondContact O-ND1 3.09Å; N98-H102 PolarHBondContact O-N 2.81Å; N98-H102 VanDerWaalsContact O-N 3.15Å; P99-H102 PolarHBondContact O-N 2.88Å; H102-H104 PolarHBondContact O-CD2 3.23Å; H102-H104 VanDerWaalsContact O-CD2 3.25Å; H102-H104 PolarHBondContact O-N 2.92Å
103	D	95	Very high	93.1	Very high	20 Å²	20	46.2 Å²	46.2	11%	0.107	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.6	6.4	-177.4	-64.6	-46.8	0	0	0	116.3	E53 R92 M93 R273	E53-D103 HydrophobicContact CB-CB 4.06Å; R92-D103 HydrophobicContact CG-CB 4.46Å; R92-D103 IonicContact NE-OD1 3.77Å; M93-D103 WeakPolarHBondContact O-CA 3.46Å; M93-D103 PolarHBondContact O-N 2.8Å; D103-R273 IonicContact OD1-CZ 2.83Å; D103-R273 VanDerWaalsContact OD1-CZ 3.29Å; D103-R273 IonicContact OD1-NH1 3.61Å; D103-R273 PolarHBondContact OD1-NH1 2.86Å; D103-R273 IonicContact OD1-NH2 2.71Å; D103-R273 PolarHBondContact OD1-NH2 2.87Å; D103-R273 IonicContact OD2-CZ 2.68Å; D103-R273 IonicContact OD2-NH1 3.55Å; D103-R273 PolarHBondContact OD2-NH1 2.91Å; D103-R273 IonicContact OD2-NH2 2.72Å
104	H	96.4	Very high	93.1	Very high	12 Å²	12	46.7 Å²	46.7	6%	0.056	24%	0.243	C	C	.	.	P	Polyproline II helix	trans	-69.3	139.1	174.4	-69.5	-150.2	0	0	0	110	R92 M93 D100 D101 H102 Y106 F117 E122	R92-H104 CarbonylContact C-O 3.59Å; R92-H104 WeakPolarHBondContact CA-O 3.24Å; M93-H104 PolarHBondContact N-O 2.81Å; D100-H104 PolarHBondContact O-CE1 3.11Å; D100-H104 PolarHBondContact O-NE2 3.21Å; D100-H104 VanDerWaalsContact O-NE2 3.09Å; D101-H104 WeakPolarHBondContact O-CB 3.31Å; D101-H104 PolarHBondContact O-N 3.17Å; H102-H104 PolarHBondContact O-CD2 3.23Å; H102-H104 VanDerWaalsContact O-CD2 3.25Å; H102-H104 PolarHBondContact O-N 2.92Å; H104-Y106 HydrophobicContact CB-CD2 4.44Å; H104-Y106 HydrophobicContact CB-CE2 3.86Å; H104-F117 AromaticContact CD2-CD2 3.29Å; H104-F117 WeakPolarHBondContact CD2-CD2 3.47Å; H104-F117 AromaticContact CD2-CG 3.83Å; H104-F117 AromaticContact NE2-CD2 3.46Å; H104-F117 WeakPolarHBondContact NE2-CD2 3.42Å; H104-F117 AromaticContact NE2-CG 3.6Å; H104-E122 VanDerWaalsContact CE1-CD 3.42Å; H104-E122 IonicContact CE1-OE1 3.94Å; H104-E122 PolarHBondContact CE1-OE1 3.41Å; H104-E122 IonicContact CE1-OE2 3.75Å; H104-E122 IonicContact CG-OE2 3.92Å; H104-E122 IonicContact ND1-OE1 3.33Å; H104-E122 PolarHBondContact ND1-OE1 3.1Å; H104-E122 VanDerWaalsContact ND1-OE1 3.14Å; H104-E122 IonicContact ND1-OE2 3.45Å; H104-E122 PolarHBondContact ND1-OE2 3.34Å
105	I	97.7	Very high	93.3	Very high	2 Å²	2	44.4 Å²	44.4	1%	0.01	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	117.2	179.8	-53.4	173.4	0	0	0	108.3	T50 N52 F58 F80 L107 S115 Y116	T50-I105 HydrophobicContact CG2-CG2 3.71Å; N52-I105 HydrophobicContact CB-CD1 3.64Å; F58-I105 HydrophobicContact CD2-CD1 4.36Å; F58-I105 HydrophobicContact CE2-CD1 4.17Å; F80-I105 HydrophobicContact CE1-CD1 4.43Å; I105-L107 HydrophobicContact CG2-CD2 3.61Å; I105-L107 HydrophobicContact CG2-CG 4.28Å; I105-S115 WeakPolarHBondContact O-CA 3.47Å; I105-Y116 PolarHBondContact N-O 2.97Å; I105-Y116 PolarHBondContact O-N 3.5Å
106	Y	98.1	Very high	93.6	Very high	6 Å²	6	43.6 Å²	43.6	2%	0.024	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	123.6	175.4	-73.3	-96.8	0	0	0	109.7	A90 F91 M93 H104 V113 Y114 Y125 D132 F133	A90-Y106 WeakPolarHBondContact CA-O 3.28Å; F91-Y106 HydrophobicContact CE1-CD2 4.46Å; F91-Y106 HydrophobicContact CE1-CG 4.07Å; F91-Y106 AromaticContact CE2-CD2 3.99Å; F91-Y106 HydrophobicContact CE2-CD2 3.99Å; F91-Y106 HydrophobicContact CE2-CG 4.4Å; F91-Y106 AromaticContact CZ-CD2 3.81Å; F91-Y106 HydrophobicContact CZ-CD2 3.81Å; F91-Y106 AromaticContact CZ-CG 3.8Å; F91-Y106 HydrophobicContact CZ-CG 3.8Å; F91-Y106 PolarHBondContact N-O 2.76Å; F91-Y106 VanDerWaalsContact N-O 3.08Å; F91-Y106 PolarHBondContact O-N 3.46Å; M93-Y106 HydrophobicContact CB-CD2 4.08Å; M93-Y106 HydrophobicContact CB-CE2 3.76Å; M93-Y106 HydrophobicContact CE-CD2 4.11Å; M93-Y106 HydrophobicContact CE-CE2 3.57Å; M93-Y106 HydrophobicContact CG-CE2 4.3Å; H104-Y106 HydrophobicContact CB-CD2 4.44Å; H104-Y106 HydrophobicContact CB-CE2 3.86Å; Y106-V113 HydrophobicContact CD1-CG2 3.75Å; Y106-Y114 CarbonylContact C-O 3.54Å; Y106-Y114 VanDerWaalsContact CA-O 3.31Å; Y106-Y114 WeakPolarHBondContact CA-O 3.35Å; Y106-Y125 HydrophobicContact CE1-CE1 4.32Å; Y106-D132 WeakPolarHBondContact CE1-OD2 3.26Å; Y106-F133 AromaticContact CD1-CE2 3.68Å; Y106-F133 HydrophobicContact CD1-CE2 3.68Å; Y106-F133 AromaticContact CD1-CZ 3.66Å; Y106-F133 HydrophobicContact CD1-CZ 3.66Å; Y106-F133 AromaticContact CE1-CE2 3.88Å; Y106-F133 HydrophobicContact CE1-CE2 3.88Å; Y106-F133 AromaticContact CE1-CZ 3.7Å; Y106-F133 HydrophobicContact CE1-CZ 3.7Å; Y106-F133 HydrophobicContact CG-CZ 4.19Å
107	L	98.5	Very high	94.1	Very high	0 Å²	0	44 Å²	44	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.3	177.4	-51.9	-175	0	0	0	109.6	F60 F80 L83 I87 A90 I105 V113 Y114 Y116	F60-L107 HydrophobicContact CE2-CD2 4.4Å; F60-L107 HydrophobicContact CZ-CD1 4.45Å; F60-L107 HydrophobicContact CZ-CD2 4.1Å; F80-L107 HydrophobicContact CB-CD1 4.46Å; F80-L107 HydrophobicContact CD1-CD1 3.61Å; F80-L107 HydrophobicContact CD2-CD1 4.45Å; F80-L107 HydrophobicContact CE1-CD1 3.9Å; F80-L107 HydrophobicContact CG-CD1 3.9Å; F80-L107 HydrophobicContact CZ-CD1 4.47Å; L83-L107 HydrophobicContact CD2-CD1 3.81Å; I87-L107 HydrophobicContact CD1-CB 4.27Å; I87-L107 HydrophobicContact CD1-CD1 4.36Å; I87-L107 HydrophobicContact CD1-CD2 3.8Å; I87-L107 HydrophobicContact CD1-CG 4.37Å; I87-L107 HydrophobicContact CG2-CB 4.29Å; A90-L107 HydrophobicContact CB-CD2 3.54Å; I105-L107 HydrophobicContact CG2-CD2 3.61Å; I105-L107 HydrophobicContact CG2-CG 4.28Å; L107-V113 CarbonylContact O-C 3.59Å; L107-V113 WeakPolarHBondContact O-CA 3.29Å; L107-Y114 PolarHBondContact N-O 3Å; L107-Y114 PolarHBondContact O-N 3.22Å; L107-Y116 HydrophobicContact CD1-CD2 3.99Å; L107-Y116 HydrophobicContact CD1-CE2 3.8Å; L107-Y116 HydrophobicContact CG-CD2 4.21Å; L107-Y116 HydrophobicContact CG-CE2 4.32Å
108	F	98.4	Very high	94.5	Very high	2 Å²	2	40.5 Å²	40.5	1%	0.009	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	129.1	-177.4	-65.3	-97.1	0	0	0	110.1	I87 N88 A89 F91 K112 V113 I129 F133 L140 F158	I87-F108 CarbonylContact C-O 3.33Å; I87-F108 WeakPolarHBondContact CA-O 3.25Å; I87-F108 WeakPolarHBondContact CB-O 3.48Å; N88-F108 PolarHBondContact N-O 2.86Å; A89-F108 HydrophobicContact CB-CB 4.08Å; A89-F108 HydrophobicContact CB-CD2 4.2Å; A89-F108 HydrophobicContact CB-CG 4.38Å; A89-F108 PolarHBondContact O-N 3.35Å; F91-F108 AromaticContact CD1-CE2 3.72Å; F91-F108 HydrophobicContact CD1-CE2 3.72Å; F91-F108 HydrophobicContact CD1-CZ 4.38Å; F91-F108 AromaticContact CE1-CE2 3.51Å; F91-F108 HydrophobicContact CE1-CE2 3.51Å; F91-F108 AromaticContact CE1-CZ 3.74Å; F91-F108 HydrophobicContact CE1-CZ 3.74Å; F108-K112 WeakPolarHBondContact CA-O 3.04Å; F108-V113 HydrophobicContact CD1-CB 4.04Å; F108-V113 HydrophobicContact CD1-CG2 4.06Å; F108-V113 HydrophobicContact CE1-CB 3.86Å; F108-V113 HydrophobicContact CE1-CG2 3.65Å; F108-V113 HydrophobicContact CE2-CG2 4.13Å; F108-V113 HydrophobicContact CG-CG2 4.48Å; F108-V113 HydrophobicContact CZ-CB 4.38Å; F108-V113 HydrophobicContact CZ-CG2 3.66Å; F108-I129 HydrophobicContact CD1-CD1 3.77Å; F108-I129 HydrophobicContact CD1-CG1 3.78Å; F108-I129 HydrophobicContact CE1-CD1 4.41Å; F108-I129 HydrophobicContact CE1-CG1 4.04Å; F108-F133 HydrophobicContact CE1-CD2 4.06Å; F108-F133 HydrophobicContact CE1-CE2 4.28Å; F108-F133 HydrophobicContact CZ-CD2 4.02Å; F108-F133 AromaticContact CZ-CE2 3.84Å; F108-F133 HydrophobicContact CZ-CE2 3.84Å; F108-F133 HydrophobicContact CZ-CZ 4.42Å; F108-L140 HydrophobicContact CD1-CD1 3.7Å; F108-L140 HydrophobicContact CE1-CD1 4.05Å; F108-L140 HydrophobicContact CG-CD1 4.04Å; F108-F158 HydrophobicContact CE1-CE1 4.05Å; F108-F158 AromaticContact CE2-CE1 3.95Å; F108-F158 HydrophobicContact CE2-CE1 3.95Å; F108-F158 AromaticContact CZ-CE1 3.53Å; F108-F158 HydrophobicContact CZ-CE1 3.53Å; F108-F158 HydrophobicContact CZ-CZ 4.07Å
109	Q	97	Very high	94.6	Very high	32 Å²	32	41.1 Å²	41.1	15%	0.15	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	107.1	176.2	-175.2	179.6	-2.3	0	0	108.4	N84 N88 D111 K112 Y114	N84-Q109 PolarHBondContact O-NE2 3.48Å; N84-Q109 PolarHBondContact O-OE1 3.29Å; N88-Q109 WeakPolarHBondContact OD1-CA 3.25Å; Q109-D111 PolarHBondContact O-N 2.89Å; Q109-K112 PolarHBondContact N-O 3.46Å; Q109-K112 PolarHBondContact O-N 2.96Å; Q109-Y114 HydrophobicContact CB-CE2 4.03Å; Q109-Y114 PolarHBondContact OE1-OH 3.5Å
110	D	94.9	Very high	95	Very high	72 Å²	72	40.9 Å²	40.9	39%	0.385	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	-105.3	-176.3	-57.4	-49.6	0	0	0	112.9	N88 I129 H139	N88-D110 PolarHBondContact OD1-N 3.47Å; D110-I129 WeakPolarHBondContact O-CD1 3.41Å; D110-H139 PolarHBondContact O-N 2.78Å; D110-H139 IonicContact OD1-CD2 3.81Å
111	D	96.3	Very high	95.6	Very high	60 Å²	60	36 Å²	36	32%	0.321	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	-4	178.2	68.1	-26.8	0	0	0	113.8	Q109 Q128 I129 T138	Q109-D111 PolarHBondContact O-N 2.89Å; D111-Q128 PolarHBondContact O-OE1 2.72Å; D111-Q128 VanDerWaalsContact O-OE1 3.04Å; D111-Q128 PolarHBondContact OD2-NE2 3.34Å; D111-Q128 VanDerWaalsContact OD2-NE2 3.08Å; D111-Q128 PolarHBondContact OD2-OE1 2.66Å; D111-I129 WeakPolarHBondContact O-CG1 3.41Å; D111-I129 PolarHBondContact O-N 3.45Å; D111-T138 HydrophobicContact CB-CG2 3.88Å
112	K	97.4	Very high	96	Very high	84 Å²	84	35.9 Å²	35.9	37%	0.365	18%	0.179	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	151.9	-176.6	-66.2	-179.2	-175.4	179.4	0	112.8	F108 Q109 Y114 P126 K127	F108-K112 WeakPolarHBondContact CA-O 3.04Å; Q109-K112 PolarHBondContact N-O 3.46Å; Q109-K112 PolarHBondContact O-N 2.96Å; K112-Y114 HydrophobicContact CB-CE2 4.34Å; K112-P126 HydrophobicContact CB-CB 4.37Å; K112-P126 HydrophobicContact CD-CB 4.29Å; K112-P126 HydrophobicContact CD-CG 4.38Å; K112-K127 CarbonylContact C-O 3.6Å; K112-K127 VanDerWaalsContact CA-O 3.27Å; K112-K127 WeakPolarHBondContact CA-O 3.49Å
113	V	98.2	Very high	96.1	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	140	168.1	62.5	0	0	0	0	109.7	Y106 L107 F108 Y125 P126 K127 I129 D132 F133	Y106-V113 HydrophobicContact CD1-CG2 3.75Å; L107-V113 CarbonylContact O-C 3.59Å; L107-V113 WeakPolarHBondContact O-CA 3.29Å; F108-V113 HydrophobicContact CD1-CB 4.04Å; F108-V113 HydrophobicContact CD1-CG2 4.06Å; F108-V113 HydrophobicContact CE1-CB 3.86Å; F108-V113 HydrophobicContact CE1-CG2 3.65Å; F108-V113 HydrophobicContact CE2-CG2 4.13Å; F108-V113 HydrophobicContact CG-CG2 4.48Å; F108-V113 HydrophobicContact CZ-CB 4.38Å; F108-V113 HydrophobicContact CZ-CG2 3.66Å; V113-Y125 HydrophobicContact CG1-CE1 4.21Å; V113-Y125 WeakPolarHBondContact O-CD1 3.23Å; V113-P126 CarbonylContact O-C 3.14Å; V113-P126 WeakPolarHBondContact O-CA 3.47Å; V113-P126 WeakPolarHBondContact O-CB 3.47Å; V113-K127 HydrophobicContact CG1-CB 4.12Å; V113-K127 PolarHBondContact N-O 3.02Å; V113-K127 PolarHBondContact O-N 3.38Å; V113-I129 HydrophobicContact CB-CG1 4.32Å; V113-D132 HydrophobicContact CG1-CB 4.04Å; V113-F133 HydrophobicContact CG2-CE2 4.05Å
114	Y	98.1	Very high	96.2	Very high	18 Å²	18	45.2 Å²	45.2	7%	0.071	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	142.3	170.7	-59.1	-106.8	0	0	0	107.9	L83 Y106 L107 Q109 K112 Y116 L121 P126	L83-Y114 HydrophobicContact CD1-CD2 4.03Å; L83-Y114 HydrophobicContact CD1-CE1 4.44Å; L83-Y114 HydrophobicContact CD1-CE2 3.92Å; L83-Y114 HydrophobicContact CD1-CG 4.35Å; Y106-Y114 CarbonylContact C-O 3.54Å; Y106-Y114 VanDerWaalsContact CA-O 3.31Å; Y106-Y114 WeakPolarHBondContact CA-O 3.35Å; L107-Y114 PolarHBondContact N-O 3Å; L107-Y114 PolarHBondContact O-N 3.22Å; Q109-Y114 HydrophobicContact CB-CE2 4.03Å; Q109-Y114 PolarHBondContact OE1-OH 3.5Å; K112-Y114 HydrophobicContact CB-CE2 4.34Å; Y114-Y116 VanDerWaalsContact CB-CE2 3.48Å; Y114-Y116 HydrophobicContact CD1-CE2 4.44Å; Y114-Y116 HydrophobicContact CG-CE2 4.25Å; Y114-L121 HydrophobicContact CD1-CD1 3.93Å; Y114-P126 HydrophobicContact CD1-CB 3.68Å; Y114-P126 HydrophobicContact CD1-CG 4.11Å; Y114-P126 HydrophobicContact CD2-CB 4.19Å; Y114-P126 HydrophobicContact CE1-CB 3.54Å; Y114-P126 HydrophobicContact CE1-CG 3.58Å; Y114-P126 HydrophobicContact CE2-CB 4.07Å; Y114-P126 HydrophobicContact CG-CB 4Å
115	S	97.5	Very high	96.2	Very high	0 Å²	0	46 Å²	46	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132.9	171.6	-169.3	0	0	0	0	110.2	I105 E122 Y125	I105-S115 WeakPolarHBondContact O-CA 3.47Å; S115-E122 WeakPolarHBondContact CB-OE2 3.47Å; S115-E122 PolarHBondContact O-N 2.85Å; S115-E122 PolarHBondContact OG-OE2 2.69Å; S115-Y125 VanDerWaalsContact CB-CE2 3.49Å
116	Y	97	Very high	96.1	Very high	1 Å²	1	48.4 Å²	48.4	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	137.5	-179.6	-67.8	-95.7	0	0	0	110.7	F80 K81 I105 L107 Y114 T120 L121	F80-Y116 HydrophobicContact CB-CE1 4.05Å; F80-Y116 HydrophobicContact CB-CE2 4.37Å; F80-Y116 AromaticContact CD1-CD1 3.98Å; F80-Y116 HydrophobicContact CD1-CD1 3.98Å; F80-Y116 AromaticContact CD1-CD2 3.85Å; F80-Y116 HydrophobicContact CD1-CD2 3.85Å; F80-Y116 HydrophobicContact CD1-CE1 4.17Å; F80-Y116 HydrophobicContact CD1-CE2 4.03Å; F80-Y116 AromaticContact CD1-CG 3.83Å; F80-Y116 HydrophobicContact CD1-CG 3.83Å; F80-Y116 HydrophobicContact CE1-CD2 4.48Å; F80-Y116 HydrophobicContact CE1-CG 4.4Å; K81-Y116 PolarHBondContact O-OH 3.2Å; I105-Y116 PolarHBondContact N-O 2.97Å; I105-Y116 PolarHBondContact O-N 3.5Å; L107-Y116 HydrophobicContact CD1-CD2 3.99Å; L107-Y116 HydrophobicContact CD1-CE2 3.8Å; L107-Y116 HydrophobicContact CG-CD2 4.21Å; L107-Y116 HydrophobicContact CG-CE2 4.32Å; Y114-Y116 VanDerWaalsContact CB-CE2 3.48Å; Y114-Y116 HydrophobicContact CD1-CE2 4.44Å; Y114-Y116 HydrophobicContact CG-CE2 4.25Å; Y116-T120 VanDerWaalsContact CA-O 3.27Å; Y116-T120 WeakPolarHBondContact CA-O 3.27Å; Y116-L121 HydrophobicContact CD1-CB 4.1Å; Y116-L121 HydrophobicContact CD1-CD1 4.44Å; Y116-L121 HydrophobicContact CD2-CD1 4.49Å; Y116-L121 HydrophobicContact CE1-CB 3.69Å; Y116-L121 HydrophobicContact CE1-CD1 3.92Å; Y116-L121 HydrophobicContact CE1-CG 4.4Å; Y116-L121 HydrophobicContact CE2-CD1 3.99Å
117	F	94.7	Very high	96.1	Very high	91 Å²	91	50.9 Å²	50.9	40%	0.399	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	129	166.5	-174.4	-107.5	0	0	0	110	E53 H104 Q119 T120	E53-F117 HydrophobicContact CB-CD2 4.48Å; E53-F117 HydrophobicContact CB-CE2 4.09Å; E53-F117 HydrophobicContact CG-CE2 4.44Å; H104-F117 AromaticContact CD2-CD2 3.29Å; H104-F117 WeakPolarHBondContact CD2-CD2 3.47Å; H104-F117 AromaticContact CD2-CG 3.83Å; H104-F117 AromaticContact NE2-CD2 3.46Å; H104-F117 WeakPolarHBondContact NE2-CD2 3.42Å; H104-F117 AromaticContact NE2-CG 3.6Å; F117-Q119 PolarHBondContact O-N 3.3Å; F117-Q119 VanDerWaalsContact O-N 3.16Å; F117-T120 PolarHBondContact N-O 2.85Å; F117-T120 WeakPolarHBondContact O-CB 3.43Å; F117-T120 PolarHBondContact O-N 2.9Å
118	N	92.2	Very high	96.1	Very high	79 Å²	79	54 Å²	54	42%	0.422	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	46.6	47.6	-176.8	-170.1	38.1	0	0	0	112	E53 K54 T120	E53-N118 PolarHBondContact OE1-OD1 3.4Å; K54-N118 PolarHBondContact NZ-OD1 3.29Å; N118-T120 PolarHBondContact O-N 3.02Å
119	Q	89.9	Confident	96.1	Very high	66 Å²	66	53.9 Å²	53.9	31%	0.308	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.4	15.2	179.5	-59.7	174.8	28.6	0	0	115.7	H79 F117	H79-Q119 HydrophobicContact CB-CG 4.49Å; H79-Q119 VanDerWaalsContact O-CB 3.25Å; H79-Q119 WeakPolarHBondContact O-CB 3.4Å; F117-Q119 PolarHBondContact O-N 3.3Å; F117-Q119 VanDerWaalsContact O-N 3.16Å
120	T	94	Very high	96.1	Very high	93 Å²	93	56.6 Å²	56.6	57%	0.571	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.5	128.7	175.7	-56.4	0	0	0	0	109.3	Y116 F117 N118 E122	Y116-T120 VanDerWaalsContact CA-O 3.27Å; Y116-T120 WeakPolarHBondContact CA-O 3.27Å; F117-T120 PolarHBondContact N-O 2.85Å; F117-T120 WeakPolarHBondContact O-CB 3.43Å; F117-T120 PolarHBondContact O-N 2.9Å; N118-T120 PolarHBondContact O-N 3.02Å; T120-E122 PolarHBondContact O-N 3.34Å
121	L	96.6	Very high	96.3	Very high	28 Å²	28	59.3 Å²	59.3	15%	0.147	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.2	129.6	173.9	-179.1	67.5	0	0	0	108.9	E82 Y114 Y116	E82-L121 HydrophobicContact CB-CD2 4.18Å; E82-L121 WeakPolarHBondContact OE2-CD2 3.47Å; Y114-L121 HydrophobicContact CD1-CD1 3.93Å; Y116-L121 HydrophobicContact CD1-CB 4.1Å; Y116-L121 HydrophobicContact CD1-CD1 4.44Å; Y116-L121 HydrophobicContact CD2-CD1 4.49Å; Y116-L121 HydrophobicContact CE1-CB 3.69Å; Y116-L121 HydrophobicContact CE1-CD1 3.92Å; Y116-L121 HydrophobicContact CE1-CG 4.4Å; Y116-L121 HydrophobicContact CE2-CD1 3.99Å
122	E	96.1	Very high	96.2	Very high	49 Å²	49	57.7 Å²	57.7	23%	0.229	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-72	148.2	179.5	-69	-162.9	90.1	0	0	112.8	H104 S115 T120 G124 Y125	H104-E122 VanDerWaalsContact CE1-CD 3.42Å; H104-E122 IonicContact CE1-OE1 3.94Å; H104-E122 PolarHBondContact CE1-OE1 3.41Å; H104-E122 IonicContact CE1-OE2 3.75Å; H104-E122 IonicContact CG-OE2 3.92Å; H104-E122 IonicContact ND1-OE1 3.33Å; H104-E122 PolarHBondContact ND1-OE1 3.1Å; H104-E122 VanDerWaalsContact ND1-OE1 3.14Å; H104-E122 IonicContact ND1-OE2 3.45Å; H104-E122 PolarHBondContact ND1-OE2 3.34Å; S115-E122 WeakPolarHBondContact CB-OE2 3.47Å; S115-E122 PolarHBondContact O-N 2.85Å; S115-E122 PolarHBondContact OG-OE2 2.69Å; T120-E122 PolarHBondContact O-N 3.34Å; E122-G124 PolarHBondContact O-N 2.88Å; E122-Y125 HydrophobicContact CB-CD2 3.63Å; E122-Y125 HydrophobicContact CB-CE2 3.99Å; E122-Y125 PolarHBondContact O-N 3.08Å
123	E	95.1	Very high	96.3	Very high	199 Å²	199	53.9 Å²	53.9	93%	0.93	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	132.2	178.1	-171.8	178.1	172.7	0	0	110.7
124	G	95.3	Very high	96.3	Very high	56 Å²	56	56.3 Å²	56.3	58%	0.577	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-0.5	-178.9	0	0	0	0	0	115.1	E122 K127	E122-G124 PolarHBondContact O-N 2.88Å; G124-K127 VanDerWaalsContact O-CG 3.28Å; G124-K127 WeakPolarHBondContact O-CG 3.46Å
125	Y	96.7	Very high	96.2	Very high	28 Å²	28	57.9 Å²	57.9	11%	0.11	32%	0.315	C	S	.	.			trans	-97	153.7	168.6	-71.3	-91.1	0	0	0	112	Y106 V113 S115 E122 K127 D132	Y106-Y125 HydrophobicContact CE1-CE1 4.32Å; V113-Y125 HydrophobicContact CG1-CE1 4.21Å; V113-Y125 WeakPolarHBondContact O-CD1 3.23Å; S115-Y125 VanDerWaalsContact CB-CE2 3.49Å; E122-Y125 HydrophobicContact CB-CD2 3.63Å; E122-Y125 HydrophobicContact CB-CE2 3.99Å; E122-Y125 PolarHBondContact O-N 3.08Å; Y125-K127 HydrophobicContact CD1-CB 4.33Å; Y125-K127 HydrophobicContact CD1-CD 4.27Å; Y125-K127 HydrophobicContact CD1-CG 3.95Å; Y125-K127 HydrophobicContact CE1-CB 4.44Å; Y125-K127 HydrophobicContact CE1-CD 3.88Å; Y125-K127 HydrophobicContact CE1-CG 4.07Å; Y125-K127 HydrophobicContact CG-CG 4.42Å; Y125-K127 PolarHBondContact OH-NZ 3.25Å; Y125-D132 PolarHBondContact OH-OD1 3.35Å; Y125-D132 PolarHBondContact OH-OD2 3.45Å
126	P	97.1	Very high	96.3	Very high	53 Å²	53	57.9 Å²	57.9	34%	0.344	32%	0.316	S	S	.	.	S	Bend	cis	-72.8	148.1	-1.3	28.7	-33.9	0	0	0	113.9	K112 V113 Y114	K112-P126 HydrophobicContact CB-CB 4.37Å; K112-P126 HydrophobicContact CD-CB 4.29Å; K112-P126 HydrophobicContact CD-CG 4.38Å; V113-P126 CarbonylContact O-C 3.14Å; V113-P126 WeakPolarHBondContact O-CA 3.47Å; V113-P126 WeakPolarHBondContact O-CB 3.47Å; Y114-P126 HydrophobicContact CD1-CB 3.68Å; Y114-P126 HydrophobicContact CD1-CG 4.11Å; Y114-P126 HydrophobicContact CD2-CB 4.19Å; Y114-P126 HydrophobicContact CE1-CB 3.54Å; Y114-P126 HydrophobicContact CE1-CG 3.58Å; Y114-P126 HydrophobicContact CE2-CB 4.07Å; Y114-P126 HydrophobicContact CG-CB 4Å
127	K	97.8	Very high	96.3	Very high	57 Å²	57	59.2 Å²	59.2	25%	0.248	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	166.2	173.1	-63.4	-179.4	-168	162	0	111	K112 V113 G124 Y125 D132	K112-K127 CarbonylContact C-O 3.6Å; K112-K127 VanDerWaalsContact CA-O 3.27Å; K112-K127 WeakPolarHBondContact CA-O 3.49Å; V113-K127 HydrophobicContact CG1-CB 4.12Å; V113-K127 PolarHBondContact N-O 3.02Å; V113-K127 PolarHBondContact O-N 3.38Å; G124-K127 VanDerWaalsContact O-CG 3.28Å; G124-K127 WeakPolarHBondContact O-CG 3.46Å; Y125-K127 HydrophobicContact CD1-CB 4.33Å; Y125-K127 HydrophobicContact CD1-CD 4.27Å; Y125-K127 HydrophobicContact CD1-CG 3.95Å; Y125-K127 HydrophobicContact CE1-CB 4.44Å; Y125-K127 HydrophobicContact CE1-CD 3.88Å; Y125-K127 HydrophobicContact CE1-CG 4.07Å; Y125-K127 HydrophobicContact CG-CG 4.42Å; Y125-K127 PolarHBondContact OH-NZ 3.25Å; K127-D132 HydrophobicContact CD-CB 4.23Å; K127-D132 IonicContact NZ-OD1 2.75Å; K127-D132 PolarHBondContact NZ-OD1 3.22Å
128	Q	98.2	Very high	96.5	Very high	66 Å²	66	57 Å²	57	31%	0.308	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	142.3	163.7	-71.6	-69.6	-16.8	0	0	110	D111 Q130 E131	D111-Q128 PolarHBondContact O-OE1 2.72Å; D111-Q128 VanDerWaalsContact O-OE1 3.04Å; D111-Q128 PolarHBondContact OD2-NE2 3.34Å; D111-Q128 VanDerWaalsContact OD2-NE2 3.08Å; D111-Q128 PolarHBondContact OD2-OE1 2.66Å; Q128-Q130 PolarHBondContact O-N 2.85Å; Q128-Q130 VanDerWaalsContact O-N 3.14Å; Q128-E131 HydrophobicContact CB-CG 3.94Å; Q128-E131 PolarHBondContact N-OE2 3.2Å; Q128-E131 WeakPolarHBondContact O-CB 3.27Å; Q128-E131 PolarHBondContact O-N 3.34Å
129	I	98.4	Very high	96.7	Very high	0 Å²	0	57.7 Å²	57.7	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-54	-38.7	178.5	-70.9	167.1	0	0	0	111	F108 D110 D111 V113 E131 D132 F133 V136 T138	F108-I129 HydrophobicContact CD1-CD1 3.77Å; F108-I129 HydrophobicContact CD1-CG1 3.78Å; F108-I129 HydrophobicContact CE1-CD1 4.41Å; F108-I129 HydrophobicContact CE1-CG1 4.04Å; D110-I129 WeakPolarHBondContact O-CD1 3.41Å; D111-I129 WeakPolarHBondContact O-CG1 3.41Å; D111-I129 PolarHBondContact O-N 3.45Å; V113-I129 HydrophobicContact CB-CG1 4.32Å; I129-E131 VanDerWaalsContact C-N 3.27Å; I129-E131 PolarHBondContact O-N 2.89Å; I129-D132 PolarHBondContact O-N 2.89Å; I129-F133 HydrophobicContact CG2-CB 4.36Å; I129-F133 CarbonylContact O-C 3.59Å; I129-F133 WeakPolarHBondContact O-CA 3.45Å; I129-F133 PolarHBondContact O-N 3.31Å; I129-V136 HydrophobicContact CG2-CB 4.16Å; I129-V136 HydrophobicContact CG2-CG1 4.22Å; I129-T138 HydrophobicContact CD1-CG2 4.35Å
130	Q	97.5	Very high	97.1	Very high	89 Å²	89	54.6 Å²	54.6	42%	0.416	30%	0.304	S	S	.	.	H	α-helix	trans	-68.2	-23.3	-179.3	-57.7	-51.3	-48.2	0	0	114.4	Q128 P134 V136	Q128-Q130 PolarHBondContact O-N 2.85Å; Q128-Q130 VanDerWaalsContact O-N 3.14Å; Q130-P134 WeakPolarHBondContact O-CA 3.38Å; Q130-V136 PolarHBondContact NE2-O 2.89Å
131	E	97.6	Very high	97.3	Very high	128 Å²	128	53.4 Å²	53.4	60%	0.598	29%	0.294	S	S	*	.	H	α-helix	trans	-74.2	-36.5	179.1	-69.3	167.4	-167	0	0	110.8	Q128 I129	Q128-E131 HydrophobicContact CB-CG 3.94Å; Q128-E131 PolarHBondContact N-OE2 3.2Å; Q128-E131 WeakPolarHBondContact O-CB 3.27Å; Q128-E131 PolarHBondContact O-N 3.34Å; I129-E131 VanDerWaalsContact C-N 3.27Å; I129-E131 PolarHBondContact O-N 2.89Å
132	D	95.9	Very high	97.4	Very high	26 Å²	26	52 Å²	52	14%	0.139	29%	0.287	C	S	.	.	H	α-helix	trans	-100.3	-42	-173.3	-144.3	46.1	0	0	0	112.1	Y106 V113 Y125 K127 I129 P134	Y106-D132 WeakPolarHBondContact CE1-OD2 3.26Å; V113-D132 HydrophobicContact CG1-CB 4.04Å; Y125-D132 PolarHBondContact OH-OD1 3.35Å; Y125-D132 PolarHBondContact OH-OD2 3.45Å; K127-D132 HydrophobicContact CD-CB 4.23Å; K127-D132 IonicContact NZ-OD1 2.75Å; K127-D132 PolarHBondContact NZ-OD1 3.22Å; I129-D132 PolarHBondContact O-N 2.89Å; D132-P134 VanDerWaalsContact C-CD 3.46Å; D132-P134 VanDerWaalsContact O-CD 3.3Å; D132-P134 WeakPolarHBondContact O-CD 3.48Å
133	F	97.9	Very high	97.5	Very high	5 Å²	5	49.8 Å²	49.8	2%	0.022	28%	0.277	C	S	.	.	S	Bend	trans	-121.2	68.7	179.4	-58.5	-82.3	0	0	0	111.1	F91 M93 Y106 F108 V113 I129 G135 V136 F158 Y167	F91-F133 HydrophobicContact CE1-CE1 4.46Å; F91-F133 HydrophobicContact CE1-CZ 4.18Å; F91-F133 AromaticContact CZ-CE1 3.95Å; F91-F133 HydrophobicContact CZ-CE1 3.95Å; F91-F133 AromaticContact CZ-CZ 3.76Å; F91-F133 HydrophobicContact CZ-CZ 3.76Å; M93-F133 HydrophobicContact CE-CE1 4.13Å; M93-F133 HydrophobicContact CE-CZ 4.17Å; Y106-F133 AromaticContact CD1-CE2 3.68Å; Y106-F133 HydrophobicContact CD1-CE2 3.68Å; Y106-F133 AromaticContact CD1-CZ 3.66Å; Y106-F133 HydrophobicContact CD1-CZ 3.66Å; Y106-F133 AromaticContact CE1-CE2 3.88Å; Y106-F133 HydrophobicContact CE1-CE2 3.88Å; Y106-F133 AromaticContact CE1-CZ 3.7Å; Y106-F133 HydrophobicContact CE1-CZ 3.7Å; Y106-F133 HydrophobicContact CG-CZ 4.19Å; F108-F133 HydrophobicContact CE1-CD2 4.06Å; F108-F133 HydrophobicContact CE1-CE2 4.28Å; F108-F133 HydrophobicContact CZ-CD2 4.02Å; F108-F133 AromaticContact CZ-CE2 3.84Å; F108-F133 HydrophobicContact CZ-CE2 3.84Å; F108-F133 HydrophobicContact CZ-CZ 4.42Å; V113-F133 HydrophobicContact CG2-CE2 4.05Å; I129-F133 HydrophobicContact CG2-CB 4.36Å; I129-F133 CarbonylContact O-C 3.59Å; I129-F133 WeakPolarHBondContact O-CA 3.45Å; I129-F133 PolarHBondContact O-N 3.31Å; F133-G135 PolarHBondContact O-N 3.45Å; F133-V136 HydrophobicContact CB-CB 4.07Å; F133-V136 HydrophobicContact CB-CG2 3.79Å; F133-V136 WeakPolarHBondContact O-CB 3.31Å; F133-V136 PolarHBondContact O-N 2.78Å; F133-F158 HydrophobicContact CD1-CE2 4.09Å; F133-F158 AromaticContact CD1-CZ 3.76Å; F133-F158 HydrophobicContact CD1-CZ 3.76Å; F133-F158 HydrophobicContact CE1-CZ 4.08Å; F133-F158 HydrophobicContact CG-CZ 4.07Å; F133-Y167 HydrophobicContact CB-CE2 4.2Å; F133-Y167 HydrophobicContact CD1-CD1 4.2Å; F133-Y167 AromaticContact CD1-CE1 3.95Å; F133-Y167 HydrophobicContact CD1-CE1 3.95Å; F133-Y167 HydrophobicContact CD1-CE2 4.35Å; F133-Y167 HydrophobicContact CE1-CE1 4.49Å
134	P	98.3	Very high	97.7	Very high	50 Å²	50	40.3 Å²	40.3	33%	0.325	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	131.6	-177.8	23.4	-35.4	0	0	0	112.1	Q130 D132 V136 K172	Q130-P134 WeakPolarHBondContact O-CA 3.38Å; D132-P134 VanDerWaalsContact C-CD 3.46Å; D132-P134 VanDerWaalsContact O-CD 3.3Å; D132-P134 WeakPolarHBondContact O-CD 3.48Å; P134-V136 VanDerWaalsContact C-N 3.35Å; P134-K172 HydrophobicContact CG-CB 4.3Å; P134-K172 HydrophobicContact CG-CD 4.31Å
135	G	97.4	Very high	97.8	Very high	51 Å²	51	37.8 Å²	37.8	53%	0.526	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.6	-8	178.7	0	0	0	0	0	115.2	F133	F133-G135 PolarHBondContact O-N 3.45Å
136	V	98.5	Very high	97.9	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.006	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-80.3	134.2	171.4	178	0	0	0	0	109.1	I129 Q130 F133 P134 L140 F158 Y167 V174	I129-V136 HydrophobicContact CG2-CB 4.16Å; I129-V136 HydrophobicContact CG2-CG1 4.22Å; Q130-V136 PolarHBondContact NE2-O 2.89Å; F133-V136 HydrophobicContact CB-CB 4.07Å; F133-V136 HydrophobicContact CB-CG2 3.79Å; F133-V136 WeakPolarHBondContact O-CB 3.31Å; F133-V136 PolarHBondContact O-N 2.78Å; P134-V136 VanDerWaalsContact C-N 3.35Å; V136-L140 HydrophobicContact CG1-CD1 4.09Å; V136-L140 HydrophobicContact CG1-CD2 4.05Å; V136-F158 HydrophobicContact CB-CD2 4.29Å; V136-F158 HydrophobicContact CB-CE2 4.49Å; V136-F158 HydrophobicContact CG1-CB 3.91Å; V136-F158 HydrophobicContact CG1-CD1 4.04Å; V136-F158 HydrophobicContact CG1-CD2 3.64Å; V136-F158 HydrophobicContact CG1-CE1 4.43Å; V136-F158 HydrophobicContact CG1-CE2 4.08Å; V136-F158 HydrophobicContact CG1-CG 3.59Å; V136-F158 HydrophobicContact CG1-CZ 4.44Å; V136-F158 HydrophobicContact CG2-CD2 3.58Å; V136-F158 HydrophobicContact CG2-CE2 3.62Å; V136-F158 HydrophobicContact CG2-CG 4.4Å; V136-F158 HydrophobicContact CG2-CZ 4.47Å; V136-Y167 HydrophobicContact CG2-CD2 3.57Å; V136-Y167 HydrophobicContact CG2-CE2 4.29Å; V136-Y167 HydrophobicContact CG2-CG 4.26Å; V136-V174 HydrophobicContact CG2-CG2 4.13Å
137	P	97.9	Very high	97.7	Very high	29 Å²	29	34.2 Å²	34.2	19%	0.188	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-69.4	160.5	179.5	31.4	-37.8	0	0	0	112.6	L140 K160 H165	P137-L140 HydrophobicContact CG-CD2 3.9Å; P137-L140 WeakPolarHBondContact O-CD2 3.42Å; P137-L140 WeakPolarHBondContact O-CG 3.2Å; P137-K160 HydrophobicContact CB-CD 3.8Å; P137-K160 HydrophobicContact CG-CB 4.35Å; P137-K160 HydrophobicContact CG-CD 3.79Å; P137-H165 WeakPolarHBondContact CG-NE2 3.15Å
138	T	97.8	Very high	97.4	Very high	43 Å²	43	38.2 Å²	38.2	26%	0.264	20%	0.203	S	C	.	.	S	Bend	trans	-82.7	170.6	170.4	61.6	0	0	0	0	111.2	D111 I129 K160	D111-T138 HydrophobicContact CB-CG2 3.88Å; I129-T138 HydrophobicContact CD1-CG2 4.35Å; T138-K160 PolarHBondContact O-NZ 2.88Å
139	H	96.4	Very high	96.9	Very high	94 Å²	94	36.5 Å²	36.5	44%	0.435	20%	0.204	S	C	.	.	S	Bend	trans	52.3	59.3	-179.3	-46.7	81.2	0	0	0	111.1	D110 K160	D110-H139 PolarHBondContact O-N 2.78Å; D110-H139 IonicContact OD1-CD2 3.81Å; H139-K160 PolarHBondContact O-NZ 2.82Å
140	L	98.4	Very high	96.6	Very high	2 Å²	2	37 Å²	37	1%	0.01	21%	0.206	C	C	.	.			trans	-73	151.2	178	-64.5	170.6	0	0	0	110.2	N88 A89 F108 V136 P137 F158	N88-L140 WeakPolarHBondContact CB-O 3.23Å; A89-L140 HydrophobicContact CB-CB 4.08Å; F108-L140 HydrophobicContact CD1-CD1 3.7Å; F108-L140 HydrophobicContact CE1-CD1 4.05Å; F108-L140 HydrophobicContact CG-CD1 4.04Å; V136-L140 HydrophobicContact CG1-CD1 4.09Å; V136-L140 HydrophobicContact CG1-CD2 4.05Å; P137-L140 HydrophobicContact CG-CD2 3.9Å; P137-L140 WeakPolarHBondContact O-CD2 3.42Å; P137-L140 WeakPolarHBondContact O-CG 3.2Å; L140-F158 HydrophobicContact CD1-CB 4.44Å; L140-F158 HydrophobicContact CD1-CD1 3.54Å; L140-F158 HydrophobicContact CD1-CE1 4.1Å; L140-F158 HydrophobicContact CD1-CG 4.29Å; L140-F158 HydrophobicContact CD2-CB 3.94Å
141	D	98.4	Very high	96.4	Very high	67 Å²	67	33.1 Å²	33.1	36%	0.358	19%	0.189	S	C	.	.	S	Bend	trans	-98.6	-24.1	175.3	-56.9	-51.2	0	0	0	112.3	N88 F159 K160 G161 C185 T186	N88-D141 CarbonylContact O-C 3.6Å; N88-D141 VanDerWaalsContact O-O 3.08Å; D141-F159 PolarHBondContact N-O 3.42Å; D141-K160 WeakPolarHBondContact OD2-CA 3.35Å; D141-G161 PolarHBondContact OD2-N 2.82Å; D141-C185 WeakPolarHBondContact CB-O 3.39Å; D141-T186 CarbonylContact O-C 3.56Å
142	A	98.7	Very high	96	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.1	162.7	174.7	0	0	0	0	0	111.4	F159 C185 A188	A142-F159 HydrophobicContact CB-CB 3.93Å; A142-F159 HydrophobicContact CB-CD2 3.89Å; A142-F159 HydrophobicContact CB-CG 4.1Å; A142-F159 PolarHBondContact O-N 2.89Å; A142-C185 HydrophobicContact CB-CB 4.09Å; A142-A188 HydrophobicContact CB-CB 3.79Å
143	A	98.8	Very high	95.9	Very high	1 Å²	1	35.2 Å²	35.2	1%	0.008	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	153.2	169.6	0	0	0	0	0	109.3	A89 F91 L157 F158	A89-A143 HydrophobicContact CB-CB 3.97Å; F91-A143 HydrophobicContact CB-CB 4.22Å; F91-A143 HydrophobicContact CD1-CB 3.76Å; F91-A143 HydrophobicContact CG-CB 4.41Å; A143-L157 CarbonylContact C-O 3.34Å; A143-L157 VanDerWaalsContact CA-O 3.28Å; A143-L157 WeakPolarHBondContact CA-O 3.46Å; A143-F158 HydrophobicContact CB-CD1 3.72Å; A143-F158 HydrophobicContact CB-CE1 3.93Å
144	V	98.8	Very high	95.8	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	139.8	172.2	62.4	0	0	0	0	110.1	L157 F159 A188 F189 R190 Y195 F206	V144-L157 HydrophobicContact CG1-CB 3.87Å; V144-L157 HydrophobicContact CG1-CD1 4.15Å; V144-L157 HydrophobicContact CG1-CG 4.31Å; V144-L157 PolarHBondContact N-O 2.79Å; V144-L157 PolarHBondContact O-N 2.81Å; V144-F159 HydrophobicContact CG1-CE2 3.96Å; V144-A188 HydrophobicContact CB-CB 4.14Å; V144-A188 HydrophobicContact CG1-CB 4.21Å; V144-F189 VanDerWaalsContact CG2-C 3.42Å; V144-R190 HydrophobicContact CG2-CB 3.68Å; V144-Y195 HydrophobicContact CG1-CD1 4.33Å; V144-Y195 HydrophobicContact CG2-CD1 4.1Å; V144-Y195 HydrophobicContact CG2-CE1 4.39Å; V144-F206 HydrophobicContact CG1-CZ 4.48Å
145	E	98.1	Very high	95.7	Very high	3 Å²	3	34 Å²	34	1%	0.014	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	142.8	172.8	75.4	-75.2	-173.3	0	0	111.7	F91 R92 H94 Y195	F91-E145 HydrophobicContact CD2-CB 4.26Å; R92-E145 WeakPolarHBondContact O-CB 3.32Å; R92-E145 VanDerWaalsContact O-CG 3.27Å; R92-E145 WeakPolarHBondContact O-CG 3.07Å; H94-E145 HydrophobicContact CB-CB 4.34Å; H94-E145 HydrophobicContact CB-CG 4.25Å; E145-Y195 VanDerWaalsContact O-CE1 3.29Å; E145-Y195 WeakPolarHBondContact O-CE1 3.25Å
146	C	97.1	Very high	95.8	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.007	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	91.7	176.3	-162.7	0	0	0	0	110.5	C151 S155 L157 Y195 P208	C146-C151 HydrophobicContact CB-CB 3.81Å; C146-C151 WeakPolarHBondContact CB-SG 3.32Å; C146-C151 WeakPolarHBondContact SG-CB 3.22Å; C146-C151 CovalentContact SG-SG 2.01Å; C146-C151 PolarHBondContact SG-SG 3.04Å; C146-S155 PolarHBondContact N-O 3.07Å; C146-S155 PolarHBondContact O-N 2.84Å; C146-L157 HydrophobicContact CB-CD1 4.44Å; C146-L157 HydrophobicContact CB-CG 4.19Å; C146-Y195 HydrophobicContact CB-CE1 4.02Å; C146-Y195 PolarHBondContact SG-OH 3.24Å; C146-P208 VanDerWaalsContact SG-CB 3.54Å
147	P	94.5	Very high	95.8	Very high	6 Å²	6	31.5 Å²	31.5	4%	0.039	17%	0.17	C	C	.	.			trans	-57.3	151.3	179.2	-28.1	37.2	0	0	0	113.8	H94 G149 E150 C151 D154 Y195	H94-P147 HydrophobicContact CB-CG 4.03Å; H94-P147 WeakPolarHBondContact CD2-CB 3.35Å; P147-G149 PolarHBondContact O-N 2.82Å; P147-E150 PolarHBondContact O-N 2.96Å; P147-C151 PolarHBondContact O-N 2.79Å; P147-D154 WeakPolarHBondContact CA-OD1 3.36Å; P147-Y195 WeakPolarHBondContact CD-OH 3.43Å
148	K	91.6	Very high	95.8	Very high	140 Å²	140	30.1 Å²	30.1	61%	0.609	16%	0.161	S	C	*	.	B	Isolated β-bridge	trans	-56.7	137.6	167	-175.1	179.9	177.7	-176.3	0	109.9	E150 D154	K148-E150 VanDerWaalsContact C-N 3.3Å; K148-D154 WeakPolarHBondContact CB-OD1 3.42Å; K148-D154 PolarHBondContact N-OD1 2.75Å
149	G	87.8	Confident	95.9	Very high	30 Å²	30	28.2 Å²	28.2	31%	0.309	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	93.3	-18.8	-173.1	0	0	0	0	0	113.1	P147 C151 R257 D316 A317	P147-G149 PolarHBondContact O-N 2.82Å; G149-C151 PolarHBondContact N-O 3.25Å; G149-R257 PolarHBondContact O-NH1 2.77Å; G149-D316 CarbonylContact O-C 3.43Å; G149-A317 WeakPolarHBondContact O-CA 3.4Å; G149-A317 PolarHBondContact O-N 2.91Å
150	E	91.8	Very high	96	Very high	10 Å²	10	27.4 Å²	27.4	5%	0.047	15%	0.145	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	-28.6	164.9	-63.4	174.1	-157	0	0	111.4	P147 K148 R190 Y195 P208 R268 A317	P147-E150 PolarHBondContact O-N 2.96Å; K148-E150 VanDerWaalsContact C-N 3.3Å; E150-R190 IonicContact OE1-CZ 3.59Å; E150-R190 IonicContact OE1-NE 3.78Å; E150-R190 IonicContact OE1-NH2 2.78Å; E150-R190 PolarHBondContact OE1-NH2 3.43Å; E150-R190 IonicContact OE2-CZ 2.95Å; E150-R190 IonicContact OE2-NE 3.85Å; E150-R190 PolarHBondContact OE2-NE 3.15Å; E150-R190 IonicContact OE2-NH2 2.69Å; E150-R190 PolarHBondContact OE2-NH2 3.18Å; E150-Y195 HydrophobicContact CB-CE2 4.29Å; E150-Y195 WeakPolarHBondContact CB-OH 3.45Å; E150-Y195 VanDerWaalsContact OE2-CE2 3.29Å; E150-Y195 WeakPolarHBondContact OE2-CE2 3.45Å; E150-Y195 VanDerWaalsContact OE2-CZ 3.3Å; E150-Y195 PolarHBondContact OE2-OH 3.38Å; E150-P208 WeakPolarHBondContact O-CG 3.31Å; E150-R268 IonicContact OE1-CZ 2.79Å; E150-R268 IonicContact OE1-NH1 2.79Å; E150-R268 PolarHBondContact OE1-NH1 3.32Å; E150-R268 IonicContact OE1-NH2 3.82Å; E150-A317 VanDerWaalsContact C-CB 3.48Å; E150-A317 WeakPolarHBondContact O-CB 3.24Å
151	C	92.4	Very high	95.9	Very high	9 Å²	9	28.7 Å²	28.7	6%	0.061	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-114.6	173.7	159.5	-85	0	0	0	0	110.8	C146 P147 G149 A153	C146-C151 HydrophobicContact CB-CB 3.81Å; C146-C151 WeakPolarHBondContact CB-SG 3.32Å; C146-C151 WeakPolarHBondContact SG-CB 3.22Å; C146-C151 CovalentContact SG-SG 2.01Å; C146-C151 PolarHBondContact SG-SG 3.04Å; P147-C151 PolarHBondContact O-N 2.79Å; G149-C151 PolarHBondContact N-O 3.25Å; C151-A153 VanDerWaalsContact C-N 3.26Å; C151-A153 WeakPolarHBondContact CB-O 3.37Å; C151-A153 PolarHBondContact O-N 3.16Å
152	M	89.9	Confident	95.8	Very high	173 Å²	173	29.7 Å²	29.7	85%	0.852	16%	0.161	S	C	*	.	S	Bend	trans	-68.3	-27.1	-179.9	-61.4	-140.7	74.8	0	0	113.3
153	A	93.2	Very high	95.8	Very high	25 Å²	25	32.7 Å²	32.7	21%	0.207	18%	0.176	C	C	.	.	S	Bend	trans	-148	166	176	0	0	0	0	0	108.2	C151 S155 D168	C151-A153 VanDerWaalsContact C-N 3.26Å; C151-A153 WeakPolarHBondContact CB-O 3.37Å; C151-A153 PolarHBondContact O-N 3.16Å; A153-S155 PolarHBondContact O-N 2.96Å; A153-S155 PolarHBondContact O-OG 2.92Å; A153-D168 VanDerWaalsContact CB-OD2 3.28Å; A153-D168 WeakPolarHBondContact CB-OD2 2.94Å
154	D	95.3	Very high	95.8	Very high	20 Å²	20	32.8 Å²	32.8	11%	0.107	18%	0.177	C	C	.	.	S	Bend	trans	-61	111.4	169.9	-64.2	-58.3	0	0	0	108.7	H94 P147 K148 I169	H94-D154 IonicContact CD2-OD1 3.66Å; H94-D154 PolarHBondContact CD2-OD1 3.49Å; P147-D154 WeakPolarHBondContact CA-OD1 3.36Å; K148-D154 WeakPolarHBondContact CB-OD1 3.42Å; K148-D154 PolarHBondContact N-OD1 2.75Å; D154-I169 HydrophobicContact CB-CD1 4.09Å; D154-I169 WeakPolarHBondContact O-CB 3.49Å; D154-I169 WeakPolarHBondContact O-CG1 3.25Å; D154-I169 PolarHBondContact O-N 2.82Å
155	S	97.3	Very high	95.8	Very high	8 Å²	8	33.8 Å²	33.8	6%	0.056	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	163.4	-168.9	-53.9	0	0	0	0	111.4	C146 A153 Y167	C146-S155 PolarHBondContact N-O 3.07Å; C146-S155 PolarHBondContact O-N 2.84Å; A153-S155 PolarHBondContact O-N 2.96Å; A153-S155 PolarHBondContact O-OG 2.92Å; S155-Y167 CarbonylContact C-O 3.51Å; S155-Y167 WeakPolarHBondContact CA-O 3.2Å; S155-Y167 WeakPolarHBondContact CB-O 3.46Å
156	V	98.6	Very high	95.8	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	134	163.5	-173.6	0	0	0	0	108.2	F91 F158 Y167 I169	F91-V156 HydrophobicContact CD1-CG1 3.77Å; F91-V156 HydrophobicContact CD2-CG1 4.11Å; F91-V156 HydrophobicContact CD2-CG2 4.09Å; F91-V156 HydrophobicContact CE1-CG1 3.76Å; F91-V156 HydrophobicContact CE1-CG2 4.36Å; F91-V156 HydrophobicContact CE2-CG1 4.12Å; F91-V156 HydrophobicContact CE2-CG2 3.54Å; F91-V156 HydrophobicContact CG-CG1 3.96Å; F91-V156 HydrophobicContact CZ-CB 4.44Å; F91-V156 HydrophobicContact CZ-CG1 3.96Å; F91-V156 HydrophobicContact CZ-CG2 3.7Å; V156-F158 HydrophobicContact CB-CD2 4.33Å; V156-F158 HydrophobicContact CB-CE2 3.71Å; V156-F158 HydrophobicContact CB-CZ 3.9Å; V156-F158 HydrophobicContact CG1-CD1 4.18Å; V156-F158 HydrophobicContact CG1-CD2 4.13Å; V156-F158 HydrophobicContact CG1-CE1 3.72Å; V156-F158 HydrophobicContact CG1-CE2 3.66Å; V156-F158 HydrophobicContact CG1-CG 4.39Å; V156-F158 HydrophobicContact CG1-CZ 3.45Å; V156-F158 VanDerWaalsContact CG1-CZ 3.45Å; V156-Y167 PolarHBondContact N-O 2.77Å; V156-Y167 PolarHBondContact O-N 2.79Å; V156-I169 HydrophobicContact CG2-CD1 4.18Å; V156-I169 HydrophobicContact CG2-CG1 4.23Å
157	L	98.8	Very high	95.9	Very high	0 Å²	0	35 Å²	35	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	112.3	174.4	-53.2	-178.8	0	0	0	108.6	A143 V144 C146 F159 V164 V166 W179 F206 P208	A143-L157 CarbonylContact C-O 3.34Å; A143-L157 VanDerWaalsContact CA-O 3.28Å; A143-L157 WeakPolarHBondContact CA-O 3.46Å; V144-L157 HydrophobicContact CG1-CB 3.87Å; V144-L157 HydrophobicContact CG1-CD1 4.15Å; V144-L157 HydrophobicContact CG1-CG 4.31Å; V144-L157 PolarHBondContact N-O 2.79Å; V144-L157 PolarHBondContact O-N 2.81Å; C146-L157 HydrophobicContact CB-CD1 4.44Å; C146-L157 HydrophobicContact CB-CG 4.19Å; L157-F159 HydrophobicContact CB-CE2 3.85Å; L157-F159 HydrophobicContact CB-CZ 4.3Å; L157-V164 HydrophobicContact CB-CG1 4.08Å; L157-V164 HydrophobicContact CD2-CG1 4.46Å; L157-V166 HydrophobicContact CD2-CB 4.14Å; L157-V166 HydrophobicContact CD2-CG1 3.87Å; L157-V166 HydrophobicContact CD2-CG2 3.77Å; L157-W179 HydrophobicContact CD1-CH2 4.34Å; L157-F206 HydrophobicContact CD1-CE2 4.21Å; L157-P208 HydrophobicContact CD1-CB 4.09Å
158	F	98.9	Very high	96	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.5	176.2	-63.9	-74.4	0	0	0	110.7	F91 F108 F133 V136 L140 A143 V156 V164 H165 Y167	F91-F158 HydrophobicContact CD1-CE1 4.25Å; F91-F158 AromaticContact CE1-CE1 3.86Å; F91-F158 HydrophobicContact CE1-CE1 3.86Å; F91-F158 AromaticContact CE1-CZ 3.92Å; F91-F158 HydrophobicContact CE1-CZ 3.92Å; F91-F158 HydrophobicContact CZ-CZ 4.49Å; F108-F158 HydrophobicContact CE1-CE1 4.05Å; F108-F158 AromaticContact CE2-CE1 3.95Å; F108-F158 HydrophobicContact CE2-CE1 3.95Å; F108-F158 AromaticContact CZ-CE1 3.53Å; F108-F158 HydrophobicContact CZ-CE1 3.53Å; F108-F158 HydrophobicContact CZ-CZ 4.07Å; F133-F158 HydrophobicContact CD1-CE2 4.09Å; F133-F158 AromaticContact CD1-CZ 3.76Å; F133-F158 HydrophobicContact CD1-CZ 3.76Å; F133-F158 HydrophobicContact CE1-CZ 4.08Å; F133-F158 HydrophobicContact CG-CZ 4.07Å; V136-F158 HydrophobicContact CB-CD2 4.29Å; V136-F158 HydrophobicContact CB-CE2 4.49Å; V136-F158 HydrophobicContact CG1-CB 3.91Å; V136-F158 HydrophobicContact CG1-CD1 4.04Å; V136-F158 HydrophobicContact CG1-CD2 3.64Å; V136-F158 HydrophobicContact CG1-CE1 4.43Å; V136-F158 HydrophobicContact CG1-CE2 4.08Å; V136-F158 HydrophobicContact CG1-CG 3.59Å; V136-F158 HydrophobicContact CG1-CZ 4.44Å; V136-F158 HydrophobicContact CG2-CD2 3.58Å; V136-F158 HydrophobicContact CG2-CE2 3.62Å; V136-F158 HydrophobicContact CG2-CG 4.4Å; V136-F158 HydrophobicContact CG2-CZ 4.47Å; L140-F158 HydrophobicContact CD1-CB 4.44Å; L140-F158 HydrophobicContact CD1-CD1 3.54Å; L140-F158 HydrophobicContact CD1-CE1 4.1Å; L140-F158 HydrophobicContact CD1-CG 4.29Å; L140-F158 HydrophobicContact CD2-CB 3.94Å; A143-F158 HydrophobicContact CB-CD1 3.72Å; A143-F158 HydrophobicContact CB-CE1 3.93Å; V156-F158 HydrophobicContact CB-CD2 4.33Å; V156-F158 HydrophobicContact CB-CE2 3.71Å; V156-F158 HydrophobicContact CB-CZ 3.9Å; V156-F158 HydrophobicContact CG1-CD1 4.18Å; V156-F158 HydrophobicContact CG1-CD2 4.13Å; V156-F158 HydrophobicContact CG1-CE1 3.72Å; V156-F158 HydrophobicContact CG1-CE2 3.66Å; V156-F158 HydrophobicContact CG1-CG 4.39Å; V156-F158 HydrophobicContact CG1-CZ 3.45Å; V156-F158 VanDerWaalsContact CG1-CZ 3.45Å; F158-V164 CarbonylContact O-C 3.56Å; F158-V164 WeakPolarHBondContact O-CA 3.02Å; F158-H165 HydrophobicContact CB-CB 4.22Å; F158-H165 PolarHBondContact N-O 2.65Å; F158-H165 PolarHBondContact O-N 3.18Å; F158-Y167 HydrophobicContact CE2-CG 4.08Å
159	F	98.7	Very high	96.2	Very high	4 Å²	4	30.8 Å²	30.8	2%	0.018	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	135.5	-176.1	-63.3	-104.1	0	0	0	110.6	D141 A142 V144 L157 V164 W179 L182 C185 A188 F206	D141-F159 PolarHBondContact N-O 3.42Å; A142-F159 HydrophobicContact CB-CB 3.93Å; A142-F159 HydrophobicContact CB-CD2 3.89Å; A142-F159 HydrophobicContact CB-CG 4.1Å; A142-F159 PolarHBondContact O-N 2.89Å; V144-F159 HydrophobicContact CG1-CE2 3.96Å; L157-F159 HydrophobicContact CB-CE2 3.85Å; L157-F159 HydrophobicContact CB-CZ 4.3Å; F159-V164 HydrophobicContact CD1-CG1 4.49Å; F159-V164 HydrophobicContact CD1-CG2 3.57Å; F159-V164 HydrophobicContact CE1-CG1 4.18Å; F159-V164 HydrophobicContact CE1-CG2 3.55Å; F159-V164 HydrophobicContact CG-CG2 4.41Å; F159-V164 HydrophobicContact CZ-CG1 4.18Å; F159-V164 HydrophobicContact CZ-CG2 4.36Å; F159-W179 HydrophobicContact CE1-CE3 4.29Å; F159-W179 HydrophobicContact CE1-CZ3 4.07Å; F159-W179 HydrophobicContact CZ-CZ3 4.2Å; F159-L182 HydrophobicContact CE1-CD2 4.06Å; F159-C185 HydrophobicContact CD1-CB 4.23Å; F159-C185 HydrophobicContact CG-CB 4.43Å; F159-A188 HydrophobicContact CD2-CB 4.33Å; F159-A188 HydrophobicContact CE2-CB 4.01Å; F159-F206 HydrophobicContact CZ-CE1 4.46Å; F159-F206 HydrophobicContact CZ-CE2 4.16Å; F159-F206 AromaticContact CZ-CZ 3.74Å; F159-F206 HydrophobicContact CZ-CZ 3.74Å
160	K	98.2	Very high	96.5	Very high	77 Å²	77	33.1 Å²	33.1	34%	0.335	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	104.6	170.3	-169.3	179.4	-176.5	75.7	0	109.3	P137 T138 H139 D141 Q162 D163	P137-K160 HydrophobicContact CB-CD 3.8Å; P137-K160 HydrophobicContact CG-CB 4.35Å; P137-K160 HydrophobicContact CG-CD 3.79Å; T138-K160 PolarHBondContact O-NZ 2.88Å; H139-K160 PolarHBondContact O-NZ 2.82Å; D141-K160 WeakPolarHBondContact OD2-CA 3.35Å; K160-Q162 PolarHBondContact O-N 2.88Å; K160-D163 PolarHBondContact N-O 3.45Å; K160-D163 PolarHBondContact O-N 2.85Å
161	G	96.9	Very high	96.8	Very high	28 Å²	28	37.1 Å²	37.1	29%	0.289	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	-117.6	-168.3	0	0	0	0	0	110.8	D141	D141-G161 PolarHBondContact OD2-N 2.82Å
162	Q	96.8	Very high	97	Very high	89 Å²	89	42.2 Å²	42.2	42%	0.416	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-3.4	176.5	-65.8	-173.7	-9.7	0	0	113.2	K160 T178 W179	K160-Q162 PolarHBondContact O-N 2.88Å; Q162-T178 HydrophobicContact CB-CG2 4.21Å; Q162-T178 WeakPolarHBondContact O-CA 3.23Å; Q162-W179 PolarHBondContact O-N 2.87Å
163	D	98.3	Very high	97.4	Very high	62 Å²	62	36.6 Å²	36.6	33%	0.332	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	135.8	178.1	-68.7	-25.7	0	0	0	110.1	K160 T176 K177 T178	K160-D163 PolarHBondContact N-O 3.45Å; K160-D163 PolarHBondContact O-N 2.85Å; D163-T176 HydrophobicContact CB-CG2 4.12Å; D163-K177 CarbonylContact C-O 3.58Å; D163-K177 WeakPolarHBondContact CA-O 3.24Å; D163-T178 WeakPolarHBondContact OD1-CB 3.09Å; D163-T178 WeakPolarHBondContact OD1-CG2 2.99Å; D163-T178 PolarHBondContact OD1-OG1 3.36Å
164	V	98.6	Very high	97.6	Very high	3 Å²	3	37.6 Å²	37.6	2%	0.018	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	114.8	178	-173.7	0	0	0	0	108.2	L157 F158 F159 T176 K177 W179	L157-V164 HydrophobicContact CB-CG1 4.08Å; L157-V164 HydrophobicContact CD2-CG1 4.46Å; F158-V164 CarbonylContact O-C 3.56Å; F158-V164 WeakPolarHBondContact O-CA 3.02Å; F159-V164 HydrophobicContact CD1-CG1 4.49Å; F159-V164 HydrophobicContact CD1-CG2 3.57Å; F159-V164 HydrophobicContact CE1-CG1 4.18Å; F159-V164 HydrophobicContact CE1-CG2 3.55Å; F159-V164 HydrophobicContact CG-CG2 4.41Å; F159-V164 HydrophobicContact CZ-CG1 4.18Å; F159-V164 HydrophobicContact CZ-CG2 4.36Å; V164-T176 CarbonylContact O-C 3.39Å; V164-T176 WeakPolarHBondContact O-CA 3.28Å; V164-K177 PolarHBondContact N-O 3.18Å; V164-K177 PolarHBondContact O-N 2.94Å; V164-W179 HydrophobicContact CB-CD2 4.41Å; V164-W179 HydrophobicContact CB-CE3 4.24Å; V164-W179 HydrophobicContact CB-CZ3 4.3Å; V164-W179 HydrophobicContact CG1-CE3 4.45Å; V164-W179 HydrophobicContact CG1-CH2 4.09Å; V164-W179 HydrophobicContact CG1-CZ3 4.02Å; V164-W179 HydrophobicContact CG2-CD2 3.86Å; V164-W179 HydrophobicContact CG2-CE3 3.47Å; V164-W179 VanDerWaalsContact CG2-CE3 3.47Å; V164-W179 HydrophobicContact CG2-CG 4.39Å; V164-W179 HydrophobicContact CG2-CZ3 3.85Å
165	H	98.7	Very high	97.8	Very high	21 Å²	21	43.2 Å²	43.2	10%	0.097	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	103.6	178.1	-55.6	-83.6	0	0	0	108.5	P137 F158 Y167 V174 T176	P137-H165 WeakPolarHBondContact CG-NE2 3.15Å; F158-H165 HydrophobicContact CB-CB 4.22Å; F158-H165 PolarHBondContact N-O 2.65Å; F158-H165 PolarHBondContact O-N 3.18Å; H165-Y167 PolarHBondContact O-N 2.75Å; H165-V174 HydrophobicContact CB-CG1 3.83Å; H165-T176 PolarHBondContact CE1-OG1 2.87Å; H165-T176 PolarHBondContact ND1-OG1 3.06Å
166	V	98.5	Very high	97.8	Very high	23 Å²	23	46.3 Å²	46.3	14%	0.139	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	105.4	175.3	-171.5	0	0	0	0	107.7	L157 V174 K175 K177	L157-V166 HydrophobicContact CD2-CB 4.14Å; L157-V166 HydrophobicContact CD2-CG1 3.87Å; L157-V166 HydrophobicContact CD2-CG2 3.77Å; V166-V174 WeakPolarHBondContact O-CA 3.31Å; V166-K175 HydrophobicContact CB-CB 4.46Å; V166-K175 WeakPolarHBondContact CB-O 3.5Å; V166-K175 PolarHBondContact N-O 2.94Å; V166-K175 PolarHBondContact O-N 3.02Å; V166-K177 HydrophobicContact CG2-CD 4.26Å
167	Y	98.6	Very high	97.8	Very high	6 Å²	6	48.8 Å²	48.8	2%	0.024	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	117.7	176.8	-176.6	-86.3	0	0	0	109.3	F133 V136 S155 V156 F158 H165 K172 V174	F133-Y167 HydrophobicContact CB-CE2 4.2Å; F133-Y167 HydrophobicContact CD1-CD1 4.2Å; F133-Y167 AromaticContact CD1-CE1 3.95Å; F133-Y167 HydrophobicContact CD1-CE1 3.95Å; F133-Y167 HydrophobicContact CD1-CE2 4.35Å; F133-Y167 HydrophobicContact CE1-CE1 4.49Å; V136-Y167 HydrophobicContact CG2-CD2 3.57Å; V136-Y167 HydrophobicContact CG2-CE2 4.29Å; V136-Y167 HydrophobicContact CG2-CG 4.26Å; S155-Y167 CarbonylContact C-O 3.51Å; S155-Y167 WeakPolarHBondContact CA-O 3.2Å; S155-Y167 WeakPolarHBondContact CB-O 3.46Å; V156-Y167 PolarHBondContact N-O 2.77Å; V156-Y167 PolarHBondContact O-N 2.79Å; F158-Y167 HydrophobicContact CE2-CG 4.08Å; H165-Y167 PolarHBondContact O-N 2.75Å; Y167-K172 HydrophobicContact CE2-CB 4.27Å; Y167-K172 VanDerWaalsContact OH-CB 3.29Å; Y167-K172 WeakPolarHBondContact OH-CB 3.4Å; Y167-K172 VanDerWaalsContact OH-CG 3.24Å; Y167-K172 WeakPolarHBondContact OH-CG 3.48Å; Y167-V174 HydrophobicContact CD2-CG2 3.55Å; Y167-V174 HydrophobicContact CE2-CG2 4.25Å; Y167-V174 HydrophobicContact CG-CG2 4.46Å
168	D	97.5	Very high	97.7	Very high	38 Å²	38	52.9 Å²	52.9	20%	0.203	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	121.3	173.6	179.6	-70	0	0	0	109.3	A153 A170 T171 K172 A173	A153-D168 VanDerWaalsContact CB-OD2 3.28Å; A153-D168 WeakPolarHBondContact CB-OD2 2.94Å; D168-A170 PolarHBondContact O-N 3.45Å; D168-A170 PolarHBondContact OD1-N 2.92Å; D168-T171 WeakPolarHBondContact CB-OG1 3.47Å; D168-T171 WeakPolarHBondContact OD1-CB 3.17Å; D168-T171 PolarHBondContact OD1-N 2.86Å; D168-T171 PolarHBondContact OD1-OG1 2.82Å; D168-K172 WeakPolarHBondContact O-CA 3.23Å; D168-K172 PolarHBondContact O-N 2.84Å; D168-A173 PolarHBondContact N-O 3.08Å
169	I	96.1	Very high	97.7	Very high	20 Å²	20	53.4 Å²	53.4	10%	0.103	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-42.8	-170.7	-67	166.8	0	0	0	111.2	M93 H94 N95 D154 V156	M93-I169 HydrophobicContact SD-CD1 3.61Å; M93-I169 HydrophobicContact SD-CG1 4.24Å; H94-I169 WeakPolarHBondContact O-CD1 3.38Å; N95-I169 HydrophobicContact CB-CG2 4.3Å; N95-I169 WeakPolarHBondContact ND2-CG2 3.37Å; D154-I169 HydrophobicContact CB-CD1 4.09Å; D154-I169 WeakPolarHBondContact O-CB 3.49Å; D154-I169 WeakPolarHBondContact O-CG1 3.25Å; D154-I169 PolarHBondContact O-N 2.82Å; V156-I169 HydrophobicContact CG2-CD1 4.18Å; V156-I169 HydrophobicContact CG2-CG1 4.23Å
170	A	94.4	Very high	97.5	Very high	80 Å²	80	57.3 Å²	57.3	66%	0.661	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-44.8	-174.9	0	0	0	0	0	112.3	D168	D168-A170 PolarHBondContact O-N 3.45Å; D168-A170 PolarHBondContact OD1-N 2.92Å
171	T	96.2	Very high	97.4	Very high	93 Å²	93	58.7 Å²	58.7	57%	0.571	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.9	-13.9	-175.1	64.4	0	0	0	0	113.4	D168 A173	D168-T171 WeakPolarHBondContact CB-OG1 3.47Å; D168-T171 WeakPolarHBondContact OD1-CB 3.17Å; D168-T171 PolarHBondContact OD1-N 2.86Å; D168-T171 PolarHBondContact OD1-OG1 2.82Å; T171-A173 PolarHBondContact O-N 3.49Å; T171-A173 VanDerWaalsContact O-N 3.17Å; T171-A173 WeakPolarHBondContact OG1-CB 3.35Å; T171-A173 PolarHBondContact OG1-N 3.46Å
172	K	97	Very high	97.4	Very high	117 Å²	117	57.7 Å²	57.7	51%	0.509	32%	0.322	S	S	.	.			trans	58.9	17	-171.7	-50	-166	174.5	-163.7	0	113.8	P134 Y167 D168	P134-K172 HydrophobicContact CG-CB 4.3Å; P134-K172 HydrophobicContact CG-CD 4.31Å; Y167-K172 HydrophobicContact CE2-CB 4.27Å; Y167-K172 VanDerWaalsContact OH-CB 3.29Å; Y167-K172 WeakPolarHBondContact OH-CB 3.4Å; Y167-K172 VanDerWaalsContact OH-CG 3.24Å; Y167-K172 WeakPolarHBondContact OH-CG 3.48Å; D168-K172 WeakPolarHBondContact O-CA 3.23Å; D168-K172 PolarHBondContact O-N 2.84Å
173	A	98.2	Very high	97.3	Very high	54 Å²	54	55.4 Å²	55.4	45%	0.446	32%	0.315	S	S	.	.			trans	-77.8	140.2	179.3	0	0	0	0	0	110.4	D168 T171	D168-A173 PolarHBondContact N-O 3.08Å; T171-A173 PolarHBondContact O-N 3.49Å; T171-A173 VanDerWaalsContact O-N 3.17Å; T171-A173 WeakPolarHBondContact OG1-CB 3.35Å; T171-A173 PolarHBondContact OG1-N 3.46Å
174	V	98.6	Very high	97.2	Very high	47 Å²	47	55.4 Å²	55.4	29%	0.285	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	125.1	176.9	-179.5	0	0	0	0	110.4	V136 H165 V166 Y167	V136-V174 HydrophobicContact CG2-CG2 4.13Å; H165-V174 HydrophobicContact CB-CG1 3.83Å; V166-V174 WeakPolarHBondContact O-CA 3.31Å; Y167-V174 HydrophobicContact CD2-CG2 3.55Å; Y167-V174 HydrophobicContact CE2-CG2 4.25Å; Y167-V174 HydrophobicContact CG-CG2 4.46Å
175	K	98.3	Very high	97.2	Very high	138 Å²	138	55.4 Å²	55.4	60%	0.6	32%	0.32	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.3	114.9	170.1	-177.2	176.4	-178.3	174.4	0	110.2	V166	V166-K175 HydrophobicContact CB-CB 4.46Å; V166-K175 WeakPolarHBondContact CB-O 3.5Å; V166-K175 PolarHBondContact N-O 2.94Å; V166-K175 PolarHBondContact O-N 3.02Å
176	T	98.4	Very high	97.1	Very high	72 Å²	72	56.1 Å²	56.1	44%	0.442	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135.3	174.8	-48.7	0	0	0	0	111	D163 V164 H165	D163-T176 HydrophobicContact CB-CG2 4.12Å; V164-T176 CarbonylContact O-C 3.39Å; V164-T176 WeakPolarHBondContact O-CA 3.28Å; H165-T176 PolarHBondContact CE1-OG1 2.87Å; H165-T176 PolarHBondContact ND1-OG1 3.06Å
177	K	97.5	Very high	97.1	Very high	53 Å²	53	55 Å²	55	23%	0.23	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	150.6	168.4	-62.7	175.3	-178.2	170.1	0	108.2	D163 V164 V166 W179 V209	D163-K177 CarbonylContact C-O 3.58Å; D163-K177 WeakPolarHBondContact CA-O 3.24Å; V164-K177 PolarHBondContact N-O 3.18Å; V164-K177 PolarHBondContact O-N 2.94Å; V166-K177 HydrophobicContact CG2-CD 4.26Å; K177-W179 HydrophobicContact CD-CZ2 4.19Å; K177-V209 PolarHBondContact NZ-O 3.04Å
178	T	98.1	Very high	97.1	Very high	85 Å²	85	54.8 Å²	54.8	52%	0.521	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	121.6	170.9	-52.1	0	0	0	0	108.4	Q162 D163	Q162-T178 HydrophobicContact CB-CG2 4.21Å; Q162-T178 WeakPolarHBondContact O-CA 3.23Å; D163-T178 WeakPolarHBondContact OD1-CB 3.09Å; D163-T178 WeakPolarHBondContact OD1-CG2 2.99Å; D163-T178 PolarHBondContact OD1-OG1 3.36Å
179	W	97.8	Very high	97.1	Very high	12 Å²	12	53 Å²	53	5%	0.045	31%	0.309	C	S	.	.			trans	-111	72.4	178.8	-66.9	-18.7	0	0	0	110.1	L157 F159 Q162 V164 K177 H181 L182 F206 P208 S210	L157-W179 HydrophobicContact CD1-CH2 4.34Å; F159-W179 HydrophobicContact CE1-CE3 4.29Å; F159-W179 HydrophobicContact CE1-CZ3 4.07Å; F159-W179 HydrophobicContact CZ-CZ3 4.2Å; Q162-W179 PolarHBondContact O-N 2.87Å; V164-W179 HydrophobicContact CB-CD2 4.41Å; V164-W179 HydrophobicContact CB-CE3 4.24Å; V164-W179 HydrophobicContact CB-CZ3 4.3Å; V164-W179 HydrophobicContact CG1-CE3 4.45Å; V164-W179 HydrophobicContact CG1-CH2 4.09Å; V164-W179 HydrophobicContact CG1-CZ3 4.02Å; V164-W179 HydrophobicContact CG2-CD2 3.86Å; V164-W179 HydrophobicContact CG2-CE3 3.47Å; V164-W179 VanDerWaalsContact CG2-CE3 3.47Å; V164-W179 HydrophobicContact CG2-CG 4.39Å; V164-W179 HydrophobicContact CG2-CZ3 3.85Å; K177-W179 HydrophobicContact CD-CZ2 4.19Å; W179-H181 PolarHBondContact O-N 3.21Å; W179-H181 VanDerWaalsContact O-N 3.11Å; W179-L182 HydrophobicContact CB-CB 4.06Å; W179-L182 HydrophobicContact CE3-CD2 3.74Å; W179-L182 HydrophobicContact CZ3-CD2 4.28Å; W179-L182 PolarHBondContact O-N 3.12Å; W179-F206 HydrophobicContact CH2-CD2 4.36Å; W179-F206 HydrophobicContact CH2-CE2 4.16Å; W179-F206 AromaticContact CZ3-CD2 3.82Å; W179-F206 HydrophobicContact CZ3-CD2 3.82Å; W179-F206 AromaticContact CZ3-CE2 3.69Å; W179-F206 HydrophobicContact CZ3-CE2 3.69Å; W179-P208 VanDerWaalsContact CH2-O 3.29Å; W179-P208 WeakPolarHBondContact CH2-O 3.3Å; W179-S210 PolarHBondContact NE1-O 3.31Å
180	S	95.9	Very high	97.1	Very high	85 Å²	85	52.7 Å²	52.7	59%	0.594	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-16.3	-175.2	56.5	0	0	0	0	114.8
181	H	95.3	Very high	97.2	Very high	106 Å²	106	50.1 Å²	50.1	49%	0.491	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-17.6	174.4	62.9	-80.4	0	0	0	113.5	W179 G211	W179-H181 PolarHBondContact O-N 3.21Å; W179-H181 VanDerWaalsContact O-N 3.11Å; H181-G211 PolarHBondContact CD2-O 2.88Å; H181-G211 PolarHBondContact NE2-O 3.27Å
182	L	96	Very high	97.1	Very high	7 Å²	7	45.8 Å²	45.8	4%	0.037	25%	0.253	C	S	.	.	S	Bend	trans	-85.6	139.6	174	-167.5	69.1	0	0	0	108.7	F159 W179 C197 T204 F206 V213	F159-L182 HydrophobicContact CE1-CD2 4.06Å; W179-L182 HydrophobicContact CB-CB 4.06Å; W179-L182 HydrophobicContact CE3-CD2 3.74Å; W179-L182 HydrophobicContact CZ3-CD2 4.28Å; W179-L182 PolarHBondContact O-N 3.12Å; L182-C197 HydrophobicContact CD1-CB 4.36Å; L182-C197 HydrophobicContact CD2-CB 4.29Å; L182-C197 HydrophobicContact CG-CB 4.46Å; L182-T204 HydrophobicContact CD1-CG2 4.05Å; L182-F206 HydrophobicContact CD1-CB 3.67Å; L182-F206 HydrophobicContact CD1-CG 4.23Å; L182-F206 HydrophobicContact CD2-CB 4.38Å; L182-F206 HydrophobicContact CD2-CD1 4.36Å; L182-F206 HydrophobicContact CD2-CD2 4.4Å; L182-F206 HydrophobicContact CD2-CG 4.14Å; L182-V213 HydrophobicContact CD1-CG2 3.77Å
183	P	95	Very high	96.8	Very high	42 Å²	42	41.1 Å²	41.1	27%	0.273	23%	0.233	S	C	.	.			trans	-56.6	150.7	170.7	-23.4	34.8	0	0	0	111.2	C185 C197 H199	P183-C185 PolarHBondContact O-N 3.09Å; P183-C185 PolarHBondContact O-SG 2.86Å; P183-C197 PolarHBondContact O-SG 3.22Å; P183-H199 HydrophobicContact CB-CB 4.11Å
184	S	96.3	Very high	96.7	Very high	62 Å²	62	39.2 Å²	39.2	43%	0.434	22%	0.215	S	C	.	.			trans	-63	112.2	168.4	-57.5	0	0	0	0	108.7
185	C	98.1	Very high	96.6	Very high	3 Å²	3	37.2 Å²	37.2	2%	0.02	20%	0.203	C	C	.	.			trans	-75.9	126.7	-176.2	-48.5	0	0	0	0	109.9	D141 A142 F159 P183 C197 F198	D141-C185 WeakPolarHBondContact CB-O 3.39Å; A142-C185 HydrophobicContact CB-CB 4.09Å; F159-C185 HydrophobicContact CD1-CB 4.23Å; F159-C185 HydrophobicContact CG-CB 4.43Å; P183-C185 PolarHBondContact O-N 3.09Å; P183-C185 PolarHBondContact O-SG 2.86Å; C185-C197 WeakPolarHBondContact CA-SG 3.46Å; C185-C197 HydrophobicContact CB-CB 4.1Å; C185-C197 WeakPolarHBondContact CB-SG 3.29Å; C185-C197 WeakPolarHBondContact SG-CB 3.32Å; C185-C197 CovalentContact SG-SG 2.03Å; C185-C197 PolarHBondContact SG-SG 3.28Å; C185-F198 CarbonylContact C-O 3.57Å; C185-F198 WeakPolarHBondContact CA-O 3.48Å
186	T	97.6	Very high	96.6	Very high	36 Å²	36	31 Å²	31	22%	0.221	18%	0.175	C	C	.	.	S	Bend	trans	-86	-17.3	168.7	55.6	0	0	0	0	113.2	E45 D141 F198	E45-T186 VanDerWaalsContact CD-CG2 3.4Å; E45-T186 HydrophobicContact CG-CG2 3.92Å; E45-T186 WeakPolarHBondContact CG-OG1 3.47Å; E45-T186 WeakPolarHBondContact OE2-CG2 3.2Å; D141-T186 CarbonylContact O-C 3.56Å; T186-F198 PolarHBondContact N-O 3.05Å; T186-F198 PolarHBondContact OG1-O 3.25Å
187	S	98.4	Very high	96.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-161.6	158.3	167.6	40.3	0	0	0	0	108.3	F46 F198	F46-S187 PolarHBondContact O-OG 3.25Å; S187-F198 PolarHBondContact N-O 2.87Å; S187-F198 PolarHBondContact O-N 3.45Å; S187-F198 WeakPolarHBondContact OG-CB 3.37Å
188	A	98.5	Very high	96.7	Very high	1 Å²	1	25 Å²	25	1%	0.008	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	147.9	176.7	0	0	0	0	0	108.6	A142 V144 F159 Y196	A142-A188 HydrophobicContact CB-CB 3.79Å; V144-A188 HydrophobicContact CB-CB 4.14Å; V144-A188 HydrophobicContact CG1-CB 4.21Å; F159-A188 HydrophobicContact CD2-CB 4.33Å; F159-A188 HydrophobicContact CE2-CB 4.01Å; A188-Y196 WeakPolarHBondContact CA-O 3.48Å
189	F	96.9	Very high	96.6	Very high	1 Å²	1	22.8 Å²	22.8	0%	0.004	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	159.7	170.4	82.8	-69.7	0	0	0	111.8	I49 T57 V144 W191 Y196 F198 F225	I49-F189 HydrophobicContact CB-CB 4.11Å; I49-F189 HydrophobicContact CB-CD1 4.09Å; I49-F189 HydrophobicContact CB-CG 4.2Å; I49-F189 HydrophobicContact CD1-CD1 4.24Å; I49-F189 HydrophobicContact CD1-CE1 4.43Å; I49-F189 HydrophobicContact CG2-CB 3.89Å; I49-F189 HydrophobicContact CG2-CD1 3.57Å; I49-F189 HydrophobicContact CG2-CD2 3.96Å; I49-F189 HydrophobicContact CG2-CE1 3.97Å; I49-F189 HydrophobicContact CG2-CE2 4.32Å; I49-F189 HydrophobicContact CG2-CG 3.55Å; I49-F189 HydrophobicContact CG2-CZ 4.34Å; T57-F189 HydrophobicContact CG2-CD2 4.09Å; T57-F189 HydrophobicContact CG2-CE2 3.87Å; V144-F189 VanDerWaalsContact CG2-C 3.42Å; F189-W191 HydrophobicContact CD2-CB 4.05Å; F189-W191 HydrophobicContact CE2-CB 3.49Å; F189-W191 VanDerWaalsContact CE2-CB 3.49Å; F189-W191 HydrophobicContact CE2-CG 4.17Å; F189-W191 HydrophobicContact CZ-CB 4.19Å; F189-Y196 HydrophobicContact CD1-CD2 4.45Å; F189-Y196 HydrophobicContact CE1-CD2 4.11Å; F189-Y196 HydrophobicContact CE1-CG 4.46Å; F189-Y196 HydrophobicContact CZ-CD2 4.3Å; F189-Y196 PolarHBondContact N-O 3.07Å; F189-Y196 VanDerWaalsContact N-O 3.11Å; F189-Y196 PolarHBondContact O-N 3.35Å; F189-F198 HydrophobicContact CD1-CD2 4.37Å; F189-F198 AromaticContact CD1-CE2 3.86Å; F189-F198 HydrophobicContact CD1-CE2 3.86Å; F189-F198 HydrophobicContact CE1-CD2 4.36Å; F189-F198 AromaticContact CE1-CE2 3.43Å; F189-F198 HydrophobicContact CE1-CE2 3.43Å; F189-F198 VanDerWaalsContact CE1-CE2 3.43Å; F189-F198 AromaticContact CE1-CZ 3.8Å; F189-F198 HydrophobicContact CE1-CZ 3.8Å; F189-F225 HydrophobicContact CE1-CD1 4.42Å; F189-F225 HydrophobicContact CE1-CE1 4.13Å; F189-F225 HydrophobicContact CE1-CZ 4.36Å; F189-F225 AromaticContact CZ-CD1 3.86Å; F189-F225 HydrophobicContact CZ-CD1 3.86Å; F189-F225 AromaticContact CZ-CE1 3.63Å; F189-F225 HydrophobicContact CZ-CE1 3.63Å; F189-F225 HydrophobicContact CZ-CZ 4.28Å
190	R	97.4	Very high	96.4	Very high	12 Å²	12	23.3 Å²	23.3	5%	0.045	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	132.7	174.7	178.4	-173.2	171.2	-83.1	-2.5	108.6	V144 E150 H194 Y195	V144-R190 HydrophobicContact CG2-CB 3.68Å; E150-R190 IonicContact OE1-CZ 3.59Å; E150-R190 IonicContact OE1-NE 3.78Å; E150-R190 IonicContact OE1-NH2 2.78Å; E150-R190 PolarHBondContact OE1-NH2 3.43Å; E150-R190 IonicContact OE2-CZ 2.95Å; E150-R190 IonicContact OE2-NE 3.85Å; E150-R190 PolarHBondContact OE2-NE 3.15Å; E150-R190 IonicContact OE2-NH2 2.69Å; E150-R190 PolarHBondContact OE2-NH2 3.18Å; R190-H194 CarbonylContact C-O 3.48Å; R190-H194 VanDerWaalsContact CA-O 3.3Å; R190-H194 WeakPolarHBondContact CA-O 3.5Å; R190-Y195 HydrophobicContact CB-CD1 4.28Å; R190-Y195 HydrophobicContact CB-CE1 4.16Å; R190-Y195 WeakPolarHBondContact CD-OH 3.45Å; R190-Y195 HydrophobicContact CG-CE1 4.13Å; R190-Y195 HydrophobicContact CG-CE2 4.33Å
191	W	95.8	Very high	96.4	Very high	26 Å²	26	22.4 Å²	22.4	10%	0.098	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	120.4	173.2	-177.3	63.8	0	0	0	110.7	F69 F189 E193 H194 Y196 F225 D274 H277 F279	F69-W191 HydrophobicContact CE2-CZ2 4.24Å; F69-W191 HydrophobicContact CZ-CD2 4.36Å; F69-W191 AromaticContact CZ-CE2 3.89Å; F69-W191 HydrophobicContact CZ-CZ2 4.11Å; F69-W191 AromaticContact CZ-NE1 3.96Å; F189-W191 HydrophobicContact CD2-CB 4.05Å; F189-W191 HydrophobicContact CE2-CB 3.49Å; F189-W191 VanDerWaalsContact CE2-CB 3.49Å; F189-W191 HydrophobicContact CE2-CG 4.17Å; F189-W191 HydrophobicContact CZ-CB 4.19Å; W191-E193 PolarHBondContact O-N 3.22Å; W191-H194 PolarHBondContact N-O 2.68Å; W191-H194 WeakPolarHBondContact O-CB 3.14Å; W191-H194 PolarHBondContact O-N 3.37Å; W191-H194 VanDerWaalsContact O-N 3.14Å; W191-Y196 HydrophobicContact CB-CE2 4.07Å; W191-F225 HydrophobicContact CE3-CE1 4.36Å; W191-D274 PolarHBondContact NE1-O 3.06Å; W191-H277 HydrophobicContact CH2-CB 3.6Å; W191-H277 AromaticContact CH2-CD2 3.61Å; W191-H277 AromaticContact CH2-CG 3.69Å; W191-H277 HydrophobicContact CZ2-CB 4.19Å; W191-H277 HydrophobicContact CZ3-CB 4.2Å; W191-F279 HydrophobicContact CZ3-CZ 4.22Å
192	L	93.3	Very high	96.5	Very high	2 Å²	2	19.7 Å²	19.7	1%	0.01	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.6	60	-177.3	-52.8	176.1	0	0	0	110.8	H194 T271 D274 G275 H277 F279	L192-H194 PolarHBondContact O-CD2 2.89Å; L192-H194 PolarHBondContact O-N 2.94Å; L192-H194 VanDerWaalsContact O-N 3.13Å; L192-T271 VanDerWaalsContact CD2-OG1 3.31Å; L192-T271 WeakPolarHBondContact CD2-OG1 3.29Å; L192-D274 HydrophobicContact CD2-CB 4.17Å; L192-G275 VanDerWaalsContact CD2-O 3.28Å; L192-G275 WeakPolarHBondContact CD2-O 3.49Å; L192-H277 HydrophobicContact CD1-CB 3.48Å; L192-H277 VanDerWaalsContact CD1-CB 3.48Å; L192-F279 HydrophobicContact CB-CE2 3.99Å; L192-F279 HydrophobicContact CB-CZ 4.28Å; L192-F279 HydrophobicContact CD1-CE2 4.23Å; L192-F279 HydrophobicContact CD1-CZ 4.27Å
193	E	92	Very high	96.6	Very high	20 Å²	20	19.5 Å²	19.5	9%	0.093	11%	0.11	C	C	.	.	T	Hydrogen-bonded Turn	trans	67	4.1	179	98	-158.6	140.8	0	0	117.1	W191 Y259 Y266 R268	W191-E193 PolarHBondContact O-N 3.22Å; E193-Y259 PolarHBondContact OE2-OH 2.94Å; E193-Y266 WeakPolarHBondContact OE1-CE2 3.46Å; E193-Y266 PolarHBondContact OE1-OH 2.84Å; E193-Y266 VanDerWaalsContact OE1-OH 3.06Å; E193-R268 WeakPolarHBondContact OE2-CD 3.17Å; E193-R268 IonicContact OE2-CZ 2.89Å; E193-R268 IonicContact OE2-NE 2.88Å; E193-R268 IonicContact OE2-NH1 2.66Å; E193-R268 PolarHBondContact OE2-NH1 3.05Å
194	H	94.9	Very high	96.8	Very high	14 Å²	14	17.8 Å²	17.8	7%	0.065	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	140.5	-177.3	-60.3	-51.3	0	0	0	112.5	R190 W191 L192 Y196 Y266 F279 R283	R190-H194 CarbonylContact C-O 3.48Å; R190-H194 VanDerWaalsContact CA-O 3.3Å; R190-H194 WeakPolarHBondContact CA-O 3.5Å; W191-H194 PolarHBondContact N-O 2.68Å; W191-H194 WeakPolarHBondContact O-CB 3.14Å; W191-H194 PolarHBondContact O-N 3.37Å; W191-H194 VanDerWaalsContact O-N 3.14Å; L192-H194 PolarHBondContact O-CD2 2.89Å; L192-H194 PolarHBondContact O-N 2.94Å; L192-H194 VanDerWaalsContact O-N 3.13Å; H194-Y196 HydrophobicContact CB-CE1 4.44Å; H194-Y196 HydrophobicContact CB-CE2 3.72Å; H194-Y196 WeakPolarHBondContact CB-OH 3.42Å; H194-Y196 WeakPolarHBondContact O-CD2 3.42Å; H194-Y196 VanDerWaalsContact O-CE2 3.24Å; H194-Y196 WeakPolarHBondContact O-CE2 3.46Å; H194-Y266 PolarHBondContact CE1-OH 2.87Å; H194-Y266 PolarHBondContact NE2-OH 2.71Å; H194-F279 AromaticContact CD2-CD2 3.93Å; H194-F279 AromaticContact CD2-CE1 3.85Å; H194-F279 AromaticContact CD2-CE2 3.53Å; H194-F279 AromaticContact CD2-CZ 3.48Å; H194-F279 VanDerWaalsContact CD2-CZ 3.48Å; H194-F279 WeakPolarHBondContact CD2-CZ 3.28Å; H194-F279 AromaticContact NE2-CD1 3.97Å; H194-F279 AromaticContact NE2-CD2 3.41Å; H194-F279 WeakPolarHBondContact NE2-CD2 3.41Å; H194-F279 AromaticContact NE2-CE2 3.53Å; H194-F279 AromaticContact NE2-CG 3.64Å; H194-F279 AromaticContact NE2-CZ 3.86Å; H194-R283 PolarHBondContact CD2-NE 3.03Å; H194-R283 PolarHBondContact CD2-NH2 3.04Å; H194-R283 PolarHBondContact CE1-NE 3.38Å; H194-R283 PolarHBondContact ND1-NE 3.4Å; H194-R283 PolarHBondContact NE2-NE 3.09Å
195	Y	97.7	Very high	96.8	Very high	5 Å²	5	16.4 Å²	16.4	2%	0.02	8%	0.084	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	128.2	-172	-62.5	-103.3	0	0	0	110.2	V144 E145 C146 P147 E150 R190 R205 F206 P208	V144-Y195 HydrophobicContact CG1-CD1 4.33Å; V144-Y195 HydrophobicContact CG2-CD1 4.1Å; V144-Y195 HydrophobicContact CG2-CE1 4.39Å; E145-Y195 VanDerWaalsContact O-CE1 3.29Å; E145-Y195 WeakPolarHBondContact O-CE1 3.25Å; C146-Y195 HydrophobicContact CB-CE1 4.02Å; C146-Y195 PolarHBondContact SG-OH 3.24Å; P147-Y195 WeakPolarHBondContact CD-OH 3.43Å; E150-Y195 HydrophobicContact CB-CE2 4.29Å; E150-Y195 WeakPolarHBondContact CB-OH 3.45Å; E150-Y195 VanDerWaalsContact OE2-CE2 3.29Å; E150-Y195 WeakPolarHBondContact OE2-CE2 3.45Å; E150-Y195 VanDerWaalsContact OE2-CZ 3.3Å; E150-Y195 PolarHBondContact OE2-OH 3.38Å; R190-Y195 HydrophobicContact CB-CD1 4.28Å; R190-Y195 HydrophobicContact CB-CE1 4.16Å; R190-Y195 WeakPolarHBondContact CD-OH 3.45Å; R190-Y195 HydrophobicContact CG-CE1 4.13Å; R190-Y195 HydrophobicContact CG-CE2 4.33Å; Y195-R205 VanDerWaalsContact O-CA 3.27Å; Y195-R205 WeakPolarHBondContact O-CA 3.42Å; Y195-R205 WeakPolarHBondContact O-CG 3.33Å; Y195-F206 HydrophobicContact CD1-CZ 4.41Å; Y195-F206 HydrophobicContact CG-CZ 4.46Å; Y195-F206 PolarHBondContact O-N 3.02Å; Y195-P208 HydrophobicContact CD1-CB 3.85Å; Y195-P208 HydrophobicContact CD2-CB 3.91Å; Y195-P208 HydrophobicContact CD2-CG 3.71Å; Y195-P208 HydrophobicContact CE1-CB 3.79Å; Y195-P208 HydrophobicContact CE1-CG 4.34Å; Y195-P208 HydrophobicContact CE2-CB 3.94Å; Y195-P208 HydrophobicContact CE2-CG 3.57Å; Y195-P208 HydrophobicContact CG-CB 3.91Å; Y195-P208 HydrophobicContact CG-CG 4.23Å
196	Y	98.3	Very high	96.7	Very high	6 Å²	6	16.6 Å²	16.6	2%	0.024	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	128.8	-174.5	-53.2	-82.4	0	0	0	110	A188 F189 W191 H194 F203 R205 F225 R283	A188-Y196 WeakPolarHBondContact CA-O 3.48Å; F189-Y196 HydrophobicContact CD1-CD2 4.45Å; F189-Y196 HydrophobicContact CE1-CD2 4.11Å; F189-Y196 HydrophobicContact CE1-CG 4.46Å; F189-Y196 HydrophobicContact CZ-CD2 4.3Å; F189-Y196 PolarHBondContact N-O 3.07Å; F189-Y196 VanDerWaalsContact N-O 3.11Å; F189-Y196 PolarHBondContact O-N 3.35Å; W191-Y196 HydrophobicContact CB-CE2 4.07Å; H194-Y196 HydrophobicContact CB-CE1 4.44Å; H194-Y196 HydrophobicContact CB-CE2 3.72Å; H194-Y196 WeakPolarHBondContact CB-OH 3.42Å; H194-Y196 WeakPolarHBondContact O-CD2 3.42Å; H194-Y196 VanDerWaalsContact O-CE2 3.24Å; H194-Y196 WeakPolarHBondContact O-CE2 3.46Å; Y196-F203 AromaticContact CD1-CD2 3.77Å; Y196-F203 HydrophobicContact CD1-CD2 3.77Å; Y196-F203 AromaticContact CD1-CE2 3.96Å; Y196-F203 HydrophobicContact CD1-CE2 3.96Å; Y196-F203 HydrophobicContact CE1-CD2 4.46Å; Y196-F203 HydrophobicContact CE1-CE2 4.19Å; Y196-R205 HydrophobicContact CD1-CB 3.98Å; Y196-R205 HydrophobicContact CD1-CG 4.21Å; Y196-R205 HydrophobicContact CE1-CB 4.11Å; Y196-R205 HydrophobicContact CE1-CG 4.08Å; Y196-F225 HydrophobicContact CD1-CE2 4.43Å; Y196-F225 AromaticContact CD1-CZ 3.8Å; Y196-F225 HydrophobicContact CD1-CZ 3.8Å; Y196-F225 HydrophobicContact CD2-CE1 4.49Å; Y196-F225 HydrophobicContact CD2-CZ 4.1Å; Y196-F225 AromaticContact CE1-CZ 3.82Å; Y196-F225 HydrophobicContact CE1-CZ 3.82Å; Y196-F225 HydrophobicContact CE2-CE1 4.35Å; Y196-F225 HydrophobicContact CE2-CZ 4.14Å; Y196-F225 AromaticContact CG-CZ 3.91Å; Y196-F225 HydrophobicContact CG-CZ 3.91Å; Y196-F225 AromaticContact CZ-CZ 3.97Å; Y196-R283 PolarHBondContact OH-NH2 3.15Å
197	C	98.5	Very high	96.6	Very high	0 Å²	0	16.9 Å²	16.9	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.8	171.9	169	0	0	0	0	107.8	L182 P183 C185 F203 T204 F206	L182-C197 HydrophobicContact CD1-CB 4.36Å; L182-C197 HydrophobicContact CD2-CB 4.29Å; L182-C197 HydrophobicContact CG-CB 4.46Å; P183-C197 PolarHBondContact O-SG 3.22Å; C185-C197 WeakPolarHBondContact CA-SG 3.46Å; C185-C197 HydrophobicContact CB-CB 4.1Å; C185-C197 WeakPolarHBondContact CB-SG 3.29Å; C185-C197 WeakPolarHBondContact SG-CB 3.32Å; C185-C197 CovalentContact SG-SG 2.03Å; C185-C197 PolarHBondContact SG-SG 3.28Å; C197-F203 CarbonylContact O-C 3.34Å; C197-F203 VanDerWaalsContact O-CA 3.28Å; C197-F203 WeakPolarHBondContact O-CA 3.48Å; C197-T204 PolarHBondContact N-O 3.43Å; C197-T204 PolarHBondContact O-N 3.24Å; C197-F206 HydrophobicContact CB-CD1 3.84Å; C197-F206 HydrophobicContact CB-CE1 3.98Å
198	F	98.5	Very high	96.5	Very high	1 Å²	1	17.3 Å²	17.3	0%	0.004	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	136.7	177.2	-81.6	-118.1	0	0	0	109.6	F46 I49 C185 T186 S187 F189 N202 F203 A221 F225	F46-F198 HydrophobicContact CD2-CD1 4.18Å; F46-F198 HydrophobicContact CD2-CE1 4.33Å; I49-F198 HydrophobicContact CD1-CB 4.36Å; I49-F198 HydrophobicContact CD1-CD1 3.63Å; I49-F198 HydrophobicContact CD1-CD2 3.78Å; I49-F198 HydrophobicContact CD1-CE1 3.72Å; I49-F198 HydrophobicContact CD1-CE2 3.94Å; I49-F198 HydrophobicContact CD1-CG 3.64Å; I49-F198 HydrophobicContact CD1-CZ 3.87Å; C185-F198 CarbonylContact C-O 3.57Å; C185-F198 WeakPolarHBondContact CA-O 3.48Å; T186-F198 PolarHBondContact N-O 3.05Å; T186-F198 PolarHBondContact OG1-O 3.25Å; S187-F198 PolarHBondContact N-O 2.87Å; S187-F198 PolarHBondContact O-N 3.45Å; S187-F198 WeakPolarHBondContact OG-CB 3.37Å; F189-F198 HydrophobicContact CD1-CD2 4.37Å; F189-F198 AromaticContact CD1-CE2 3.86Å; F189-F198 HydrophobicContact CD1-CE2 3.86Å; F189-F198 HydrophobicContact CE1-CD2 4.36Å; F189-F198 AromaticContact CE1-CE2 3.43Å; F189-F198 HydrophobicContact CE1-CE2 3.43Å; F189-F198 VanDerWaalsContact CE1-CE2 3.43Å; F189-F198 AromaticContact CE1-CZ 3.8Å; F189-F198 HydrophobicContact CE1-CZ 3.8Å; F198-N202 WeakPolarHBondContact CA-O 3.31Å; F198-F203 HydrophobicContact CD1-CB 4.29Å; F198-F203 HydrophobicContact CD2-CB 3.82Å; F198-F203 HydrophobicContact CE1-CB 4.28Å; F198-F203 HydrophobicContact CE2-CB 3.72Å; F198-F203 HydrophobicContact CE2-CG 4.39Å; F198-F203 HydrophobicContact CG-CB 4.08Å; F198-F203 HydrophobicContact CZ-CB 4.01Å; F198-F203 HydrophobicContact CZ-CG 4.44Å; F198-A221 HydrophobicContact CD1-CB 4.38Å; F198-A221 HydrophobicContact CE1-CB 3.7Å; F198-A221 HydrophobicContact CZ-CB 4.47Å; F198-F225 HydrophobicContact CE1-CD2 4.18Å; F198-F225 HydrophobicContact CE2-CD2 4.34Å; F198-F225 HydrophobicContact CE2-CE2 4.07Å; F198-F225 AromaticContact CZ-CD2 3.44Å; F198-F225 HydrophobicContact CZ-CD2 3.44Å; F198-F225 VanDerWaalsContact CZ-CD2 3.44Å; F198-F225 AromaticContact CZ-CE2 3.62Å; F198-F225 HydrophobicContact CZ-CE2 3.62Å; F198-F225 AromaticContact CZ-CG 3.99Å; F198-F225 HydrophobicContact CZ-CG 3.99Å; F198-F225 HydrophobicContact CZ-CZ 4.33Å
199	H	97	Very high	96.2	Very high	37 Å²	37	19.1 Å²	19.1	17%	0.171	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	113.1	178.9	55.1	99.6	0	0	0	108.5	P183 N202 T204 P218	P183-H199 HydrophobicContact CB-CB 4.11Å; H199-N202 PolarHBondContact N-O 3.4Å; H199-N202 PolarHBondContact O-N 3.29Å; H199-N202 VanDerWaalsContact O-N 3.11Å; H199-T204 PolarHBondContact NE2-OG1 2.69Å; H199-P218 VanDerWaalsContact CE1-CB 3.5Å; H199-P218 WeakPolarHBondContact CE1-CB 3.39Å
200	G	93.9	Very high	96.1	Very high	23 Å²	23	21.4 Å²	21.4	24%	0.237	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.3	-138.1	-164.9	0	0	0	0	0	112	E45 N202	E45-G200 WeakPolarHBondContact CA-O 3.3Å; E45-G200 WeakPolarHBondContact OE2-CA 3.49Å; E45-G200 PolarHBondContact OE2-N 3.39Å; G200-N202 PolarHBondContact O-N 3.35Å
201	Q	95.2	Very high	96	Very high	67 Å²	67	20.8 Å²	20.8	31%	0.313	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-1.8	173.2	67.7	-177.3	70.3	0	0	114	D220 A221	Q201-D220 PolarHBondContact NE2-OD2 2.83Å; Q201-A221 VanDerWaalsContact O-CB 3.27Å; Q201-A221 WeakPolarHBondContact O-CB 3.46Å; Q201-A221 PolarHBondContact O-N 3.01Å
202	N	97.9	Very high	95.9	Very high	48 Å²	48	24.3 Å²	24.3	26%	0.257	13%	0.128	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	164.5	-173.1	-70.6	-32.4	0	0	0	111.2	F198 H199 G200 P218 K219 D220	F198-N202 WeakPolarHBondContact CA-O 3.31Å; H199-N202 PolarHBondContact N-O 3.4Å; H199-N202 PolarHBondContact O-N 3.29Å; H199-N202 VanDerWaalsContact O-N 3.11Å; G200-N202 PolarHBondContact O-N 3.35Å; N202-P218 HydrophobicContact CB-CB 4.04Å; N202-K219 CarbonylContact C-O 3.56Å; N202-K219 WeakPolarHBondContact CA-O 3.28Å; N202-D220 WeakPolarHBondContact OD1-CA 3.28Å
203	F	98.1	Very high	96	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.018	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	155	170.4	71.9	-82.8	0	0	0	111.8	Y196 C197 F198 Y217 P218 K219 A221 Y224 F225	Y196-F203 AromaticContact CD1-CD2 3.77Å; Y196-F203 HydrophobicContact CD1-CD2 3.77Å; Y196-F203 AromaticContact CD1-CE2 3.96Å; Y196-F203 HydrophobicContact CD1-CE2 3.96Å; Y196-F203 HydrophobicContact CE1-CD2 4.46Å; Y196-F203 HydrophobicContact CE1-CE2 4.19Å; C197-F203 CarbonylContact O-C 3.34Å; C197-F203 VanDerWaalsContact O-CA 3.28Å; C197-F203 WeakPolarHBondContact O-CA 3.48Å; F198-F203 HydrophobicContact CD1-CB 4.29Å; F198-F203 HydrophobicContact CD2-CB 3.82Å; F198-F203 HydrophobicContact CE1-CB 4.28Å; F198-F203 HydrophobicContact CE2-CB 3.72Å; F198-F203 HydrophobicContact CE2-CG 4.39Å; F198-F203 HydrophobicContact CG-CB 4.08Å; F198-F203 HydrophobicContact CZ-CB 4.01Å; F198-F203 HydrophobicContact CZ-CG 4.44Å; F203-Y217 HydrophobicContact CD2-CE1 4.02Å; F203-Y217 AromaticContact CE2-CE1 3.72Å; F203-Y217 HydrophobicContact CE2-CE1 3.72Å; F203-Y217 WeakPolarHBondContact O-CD1 3.25Å; F203-P218 WeakPolarHBondContact O-CA 3.41Å; F203-K219 HydrophobicContact CD1-CB 4.14Å; F203-K219 VanDerWaalsContact CD1-O 3.23Å; F203-K219 WeakPolarHBondContact CD1-O 3.25Å; F203-K219 HydrophobicContact CE1-CB 3.54Å; F203-K219 HydrophobicContact CE2-CB 4.3Å; F203-K219 HydrophobicContact CE2-CD 4.39Å; F203-K219 HydrophobicContact CZ-CB 3.65Å; F203-K219 HydrophobicContact CZ-CD 3.97Å; F203-K219 HydrophobicContact CZ-CG 4.42Å; F203-K219 PolarHBondContact N-O 2.94Å; F203-K219 PolarHBondContact O-N 3.45Å; F203-A221 HydrophobicContact CD1-CB 4.08Å; F203-Y224 AromaticContact CE1-CD2 3.53Å; F203-Y224 HydrophobicContact CE1-CD2 3.53Å; F203-Y224 HydrophobicContact CE1-CE2 4.26Å; F203-Y224 AromaticContact CE1-CG 3.94Å; F203-Y224 HydrophobicContact CE1-CG 3.94Å; F203-Y224 HydrophobicContact CZ-CD1 4.41Å; F203-Y224 AromaticContact CZ-CD2 3.67Å; F203-Y224 HydrophobicContact CZ-CD2 3.67Å; F203-Y224 HydrophobicContact CZ-CE2 4.23Å; F203-Y224 AromaticContact CZ-CG 3.77Å; F203-Y224 HydrophobicContact CZ-CG 3.77Å; F203-F225 AromaticContact CD1-CD2 3.97Å; F203-F225 HydrophobicContact CD1-CD2 3.97Å; F203-F225 AromaticContact CD1-CE2 3.65Å; F203-F225 HydrophobicContact CD1-CE2 3.65Å; F203-F225 AromaticContact CD2-CE2 3.67Å; F203-F225 HydrophobicContact CD2-CE2 3.67Å; F203-F225 HydrophobicContact CD2-CZ 4.31Å; F203-F225 AromaticContact CE1-CD2 3.92Å; F203-F225 HydrophobicContact CE1-CD2 3.92Å; F203-F225 AromaticContact CE1-CE2 3.58Å; F203-F225 HydrophobicContact CE1-CE2 3.58Å; F203-F225 AromaticContact CE2-CE2 3.58Å; F203-F225 HydrophobicContact CE2-CE2 3.58Å; F203-F225 HydrophobicContact CE2-CZ 4.11Å; F203-F225 HydrophobicContact CG-CD2 4.37Å; F203-F225 AromaticContact CG-CE2 3.68Å; F203-F225 HydrophobicContact CG-CE2 3.68Å; F203-F225 HydrophobicContact CZ-CD2 4.26Å; F203-F225 AromaticContact CZ-CE2 3.53Å; F203-F225 HydrophobicContact CZ-CE2 3.53Å; F203-F225 HydrophobicContact CZ-CZ 4.33Å
204	T	98.1	Very high	95.8	Very high	5 Å²	5	28.4 Å²	28.4	3%	0.031	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	124.8	172.7	-64.3	0	0	0	0	108.5	L182 C197 H199 V213 Y217	L182-T204 HydrophobicContact CD1-CG2 4.05Å; C197-T204 PolarHBondContact N-O 3.43Å; C197-T204 PolarHBondContact O-N 3.24Å; H199-T204 PolarHBondContact NE2-OG1 2.69Å; T204-V213 HydrophobicContact CG2-CB 4.17Å; T204-V213 HydrophobicContact CG2-CG1 3.51Å; T204-V213 HydrophobicContact CG2-CG2 3.5Å; T204-Y217 HydrophobicContact CG2-CG 4.21Å
205	R	96.9	Very high	95.5	Very high	34 Å²	34	30.9 Å²	30.9	13%	0.128	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	134.1	169.5	-174.7	-172.6	65.9	110.7	-4.1	109.1	Y195 Y196 T214 Y217	Y195-R205 VanDerWaalsContact O-CA 3.27Å; Y195-R205 WeakPolarHBondContact O-CA 3.42Å; Y195-R205 WeakPolarHBondContact O-CG 3.33Å; Y196-R205 HydrophobicContact CD1-CB 3.98Å; Y196-R205 HydrophobicContact CD1-CG 4.21Å; Y196-R205 HydrophobicContact CE1-CB 4.11Å; Y196-R205 HydrophobicContact CE1-CG 4.08Å; R205-T214 PolarHBondContact NH2-O 3.39Å; R205-T214 PolarHBondContact NH2-OG1 2.93Å; R205-Y217 HydrophobicContact CB-CE1 3.92Å; R205-Y217 HydrophobicContact CB-CE2 3.8Å; R205-Y217 VanDerWaalsContact CB-OH 3.22Å; R205-Y217 WeakPolarHBondContact CB-OH 3.48Å
206	F	96.5	Very high	95.3	Very high	6 Å²	6	34.7 Å²	34.7	3%	0.026	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	164.8	-179.9	70	-83.1	0	0	0	111.4	V144 L157 F159 W179 L182 Y195 C197 E212 V213	V144-F206 HydrophobicContact CG1-CZ 4.48Å; L157-F206 HydrophobicContact CD1-CE2 4.21Å; F159-F206 HydrophobicContact CZ-CE1 4.46Å; F159-F206 HydrophobicContact CZ-CE2 4.16Å; F159-F206 AromaticContact CZ-CZ 3.74Å; F159-F206 HydrophobicContact CZ-CZ 3.74Å; W179-F206 HydrophobicContact CH2-CD2 4.36Å; W179-F206 HydrophobicContact CH2-CE2 4.16Å; W179-F206 AromaticContact CZ3-CD2 3.82Å; W179-F206 HydrophobicContact CZ3-CD2 3.82Å; W179-F206 AromaticContact CZ3-CE2 3.69Å; W179-F206 HydrophobicContact CZ3-CE2 3.69Å; L182-F206 HydrophobicContact CD1-CB 3.67Å; L182-F206 HydrophobicContact CD1-CG 4.23Å; L182-F206 HydrophobicContact CD2-CB 4.38Å; L182-F206 HydrophobicContact CD2-CD1 4.36Å; L182-F206 HydrophobicContact CD2-CD2 4.4Å; L182-F206 HydrophobicContact CD2-CG 4.14Å; Y195-F206 HydrophobicContact CD1-CZ 4.41Å; Y195-F206 HydrophobicContact CG-CZ 4.46Å; Y195-F206 PolarHBondContact O-N 3.02Å; C197-F206 HydrophobicContact CB-CD1 3.84Å; C197-F206 HydrophobicContact CB-CE1 3.98Å; F206-E212 CarbonylContact C-O 3.53Å; F206-E212 WeakPolarHBondContact CA-O 3.5Å; F206-V213 HydrophobicContact CB-CG2 4.42Å
207	H	94.5	Very high	95.2	Very high	42 Å²	42	36.7 Å²	36.7	19%	0.194	22%	0.224	C	C	.	.			trans	-90.5	124.7	174.4	174.8	-61.3	0	0	0	109.6	V209 S210 G211 E212 H318	H207-V209 VanDerWaalsContact C-N 3.29Å; H207-V209 PolarHBondContact ND1-N 2.96Å; H207-V209 VanDerWaalsContact ND1-N 3.18Å; H207-V209 PolarHBondContact O-N 2.98Å; H207-V209 VanDerWaalsContact O-N 3.15Å; H207-S210 PolarHBondContact CE1-N 3.11Å; H207-S210 VanDerWaalsContact CE1-N 3.33Å; H207-S210 PolarHBondContact CE1-OG 2.77Å; H207-S210 VanDerWaalsContact CG-OG 3.25Å; H207-S210 PolarHBondContact ND1-N 3.36Å; H207-S210 PolarHBondContact ND1-OG 2.69Å; H207-S210 PolarHBondContact NE2-OG 3Å; H207-G211 VanDerWaalsContact O-CA 3.23Å; H207-G211 WeakPolarHBondContact O-CA 3.33Å; H207-G211 PolarHBondContact O-N 3.1Å; H207-E212 HydrophobicContact CB-CB 4.12Å; H207-E212 WeakPolarHBondContact CB-O 3.37Å; H207-E212 PolarHBondContact N-O 3.37Å; H207-H318 AromaticContact CD2-CD2 3.01Å; H207-H318 PolarHBondContact CD2-CD2 3.18Å; H207-H318 AromaticContact CD2-CG 3.62Å; H207-H318 AromaticContact CD2-NE2 3.35Å; H207-H318 PolarHBondContact CD2-NE2 3.11Å; H207-H318 AromaticContact CE1-CD2 3.35Å; H207-H318 PolarHBondContact CE1-CD2 3.09Å; H207-H318 AromaticContact CE1-CE1 2.96Å; H207-H318 PolarHBondContact CE1-CE1 2.87Å; H207-H318 AromaticContact CE1-CG 3.68Å; H207-H318 AromaticContact CE1-ND1 3.47Å; H207-H318 PolarHBondContact CE1-ND1 3.49Å; H207-H318 AromaticContact CE1-NE2 2.9Å; H207-H318 PolarHBondContact CE1-NE2 3.15Å; H207-H318 AromaticContact CG-CD2 3.58Å; H207-H318 AromaticContact CG-NE2 3.48Å; H207-H318 AromaticContact ND1-CD2 3.72Å; H207-H318 AromaticContact ND1-CE1 3.65Å; H207-H318 AromaticContact ND1-NE2 3.16Å; H207-H318 PolarHBondContact ND1-NE2 3.35Å; H207-H318 VanDerWaalsContact ND1-NE2 3.16Å; H207-H318 AromaticContact NE2-CD2 2.9Å; H207-H318 PolarHBondContact NE2-CD2 3.2Å; H207-H318 AromaticContact NE2-CE1 3.23Å; H207-H318 PolarHBondContact NE2-CE1 2.76Å; H207-H318 AromaticContact NE2-CG 3.08Å; H207-H318 AromaticContact NE2-ND1 3.29Å; H207-H318 PolarHBondContact NE2-ND1 3.12Å; H207-H318 AromaticContact NE2-NE2 3.03Å; H207-H318 PolarHBondContact NE2-NE2 3.45Å
208	P	95.6	Very high	95.1	Very high	9 Å²	9	40.3 Å²	40.3	6%	0.058	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.1	-166.1	28.6	-38.3	0	0	0	114.8	C146 E150 L157 W179 Y195	C146-P208 VanDerWaalsContact SG-CB 3.54Å; E150-P208 WeakPolarHBondContact O-CG 3.31Å; L157-P208 HydrophobicContact CD1-CB 4.09Å; W179-P208 VanDerWaalsContact CH2-O 3.29Å; W179-P208 WeakPolarHBondContact CH2-O 3.3Å; Y195-P208 HydrophobicContact CD1-CB 3.85Å; Y195-P208 HydrophobicContact CD2-CB 3.91Å; Y195-P208 HydrophobicContact CD2-CG 3.71Å; Y195-P208 HydrophobicContact CE1-CB 3.79Å; Y195-P208 HydrophobicContact CE1-CG 4.34Å; Y195-P208 HydrophobicContact CE2-CB 3.94Å; Y195-P208 HydrophobicContact CE2-CG 3.57Å; Y195-P208 HydrophobicContact CG-CB 3.91Å; Y195-P208 HydrophobicContact CG-CG 4.23Å
209	V	94.2	Very high	95.1	Very high	39 Å²	39	43 Å²	43	24%	0.236	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92	-43.9	178.4	178.2	0	0	0	0	113.6	K177 H207	K177-V209 PolarHBondContact NZ-O 3.04Å; H207-V209 VanDerWaalsContact C-N 3.29Å; H207-V209 PolarHBondContact ND1-N 2.96Å; H207-V209 VanDerWaalsContact ND1-N 3.18Å; H207-V209 PolarHBondContact O-N 2.98Å; H207-V209 VanDerWaalsContact O-N 3.15Å
210	S	93.3	Very high	95.1	Very high	49 Å²	49	42.7 Å²	42.7	34%	0.343	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.1	-20.2	-176	64.9	0	0	0	0	114.3	W179 H207 E212	W179-S210 PolarHBondContact NE1-O 3.31Å; H207-S210 PolarHBondContact CE1-N 3.11Å; H207-S210 VanDerWaalsContact CE1-N 3.33Å; H207-S210 PolarHBondContact CE1-OG 2.77Å; H207-S210 VanDerWaalsContact CG-OG 3.25Å; H207-S210 PolarHBondContact ND1-N 3.36Å; H207-S210 PolarHBondContact ND1-OG 2.69Å; H207-S210 PolarHBondContact NE2-OG 3Å; S210-E212 PolarHBondContact O-N 2.77Å; S210-E212 VanDerWaalsContact OG-CB 3.28Å; S210-E212 WeakPolarHBondContact OG-CB 3.26Å; S210-E212 PolarHBondContact OG-N 2.88Å; S210-E212 VanDerWaalsContact OG-N 3.1Å
211	G	95	Very high	95.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	25%	0.249	C	C	.	.			trans	76.5	2	-168	0	0	0	0	0	113.9	H181 H207	H181-G211 PolarHBondContact CD2-O 2.88Å; H181-G211 PolarHBondContact NE2-O 3.27Å; H207-G211 VanDerWaalsContact O-CA 3.23Å; H207-G211 WeakPolarHBondContact O-CA 3.33Å; H207-G211 PolarHBondContact O-N 3.1Å
212	E	94.5	Very high	95.2	Very high	99 Å²	99	40.3 Å²	40.3	46%	0.463	24%	0.24	S	C	.	.			trans	-58.6	141.1	-175.8	-173.6	-177.5	173.4	0	0	112.2	F206 H207 S210 T214	F206-E212 CarbonylContact C-O 3.53Å; F206-E212 WeakPolarHBondContact CA-O 3.5Å; H207-E212 HydrophobicContact CB-CB 4.12Å; H207-E212 WeakPolarHBondContact CB-O 3.37Å; H207-E212 PolarHBondContact N-O 3.37Å; S210-E212 PolarHBondContact O-N 2.77Å; S210-E212 VanDerWaalsContact OG-CB 3.28Å; S210-E212 WeakPolarHBondContact OG-CB 3.26Å; S210-E212 PolarHBondContact OG-N 2.88Å; S210-E212 VanDerWaalsContact OG-N 3.1Å; E212-T214 HydrophobicContact CG-CG2 4.14Å; E212-T214 WeakPolarHBondContact OE1-CG2 3.44Å
213	V	94.7	Very high	95.1	Very high	50 Å²	50	41.1 Å²	41.1	30%	0.303	24%	0.243	S	C	.	.			trans	-113	115.8	178.3	177.9	0	0	0	0	109	L182 T204 F206 Y217	L182-V213 HydrophobicContact CD1-CG2 3.77Å; T204-V213 HydrophobicContact CG2-CB 4.17Å; T204-V213 HydrophobicContact CG2-CG1 3.51Å; T204-V213 HydrophobicContact CG2-CG2 3.5Å; F206-V213 HydrophobicContact CB-CG2 4.42Å; V213-Y217 HydrophobicContact CG1-CD2 3.84Å; V213-Y217 HydrophobicContact CG1-CG 4.19Å
214	T	88.9	Confident	94.9	Very high	59 Å²	59	44.9 Å²	44.9	36%	0.362	26%	0.257	S	S	.	.			trans	-115.1	130	178.7	52.8	0	0	0	0	112	R205 E212 Y217	R205-T214 PolarHBondContact NH2-O 3.39Å; R205-T214 PolarHBondContact NH2-OG1 2.93Å; E212-T214 HydrophobicContact CG-CG2 4.14Å; E212-T214 WeakPolarHBondContact OE1-CG2 3.44Å; T214-Y217 WeakPolarHBondContact O-CE2 3.47Å
215	G	87.6	Confident	94.7	Very high	65 Å²	65	44.9 Å²	44.9	67%	0.67	26%	0.257	S	S	*	.	S	Bend	trans	101.7	-177.9	-177.6	0	0	0	0	0	113.2	Y217	G215-Y217 PolarHBondContact O-N 3.17Å
216	A	93.4	Very high	94.5	Very high	85 Å²	85	43.9 Å²	43.9	70%	0.702	25%	0.254	S	S	*	.	S	Bend	trans	-77.6	106.9	179	0	0	0	0	0	110.6	K219	A216-K219 WeakPolarHBondContact O-CE 3.15Å
217	Y	96.3	Very high	94.2	Very high	48 Å²	48	48.9 Å²	48.9	19%	0.188	29%	0.285	C	S	.	.			trans	-135	156.2	175.7	-75.4	-75.1	0	0	0	110.2	F203 T204 R205 V213 T214 G215 K219	F203-Y217 HydrophobicContact CD2-CE1 4.02Å; F203-Y217 AromaticContact CE2-CE1 3.72Å; F203-Y217 HydrophobicContact CE2-CE1 3.72Å; F203-Y217 WeakPolarHBondContact O-CD1 3.25Å; T204-Y217 HydrophobicContact CG2-CG 4.21Å; R205-Y217 HydrophobicContact CB-CE1 3.92Å; R205-Y217 HydrophobicContact CB-CE2 3.8Å; R205-Y217 VanDerWaalsContact CB-OH 3.22Å; R205-Y217 WeakPolarHBondContact CB-OH 3.48Å; V213-Y217 HydrophobicContact CG1-CD2 3.84Å; V213-Y217 HydrophobicContact CG1-CG 4.19Å; T214-Y217 WeakPolarHBondContact O-CE2 3.47Å; G215-Y217 PolarHBondContact O-N 3.17Å; Y217-K219 HydrophobicContact CD1-CB 4.37Å; Y217-K219 HydrophobicContact CD1-CD 4.14Å; Y217-K219 HydrophobicContact CD1-CG 3.86Å; Y217-K219 HydrophobicContact CE1-CB 4.45Å; Y217-K219 HydrophobicContact CE1-CD 3.7Å; Y217-K219 HydrophobicContact CE1-CG 3.94Å
218	P	97.5	Very high	94.1	Very high	76 Å²	76	47.2 Å²	47.2	49%	0.494	28%	0.278	S	S	.	.			cis	-74.3	164.7	0.7	32.4	-36.6	0	0	0	113.7	H199 N202 F203	H199-P218 VanDerWaalsContact CE1-CB 3.5Å; H199-P218 WeakPolarHBondContact CE1-CB 3.39Å; N202-P218 HydrophobicContact CB-CB 4.04Å; F203-P218 WeakPolarHBondContact O-CA 3.41Å
219	K	97.3	Very high	93.8	Very high	59 Å²	59	51.4 Å²	51.4	26%	0.257	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	149.1	173.9	-66.7	-179.3	-178.4	-176.7	0	110.2	N202 F203 A216 Y217 Y224	N202-K219 CarbonylContact C-O 3.56Å; N202-K219 WeakPolarHBondContact CA-O 3.28Å; F203-K219 HydrophobicContact CD1-CB 4.14Å; F203-K219 VanDerWaalsContact CD1-O 3.23Å; F203-K219 WeakPolarHBondContact CD1-O 3.25Å; F203-K219 HydrophobicContact CE1-CB 3.54Å; F203-K219 HydrophobicContact CE2-CB 4.3Å; F203-K219 HydrophobicContact CE2-CD 4.39Å; F203-K219 HydrophobicContact CZ-CB 3.65Å; F203-K219 HydrophobicContact CZ-CD 3.97Å; F203-K219 HydrophobicContact CZ-CG 4.42Å; F203-K219 PolarHBondContact N-O 2.94Å; F203-K219 PolarHBondContact O-N 3.45Å; A216-K219 WeakPolarHBondContact O-CE 3.15Å; Y217-K219 HydrophobicContact CD1-CB 4.37Å; Y217-K219 HydrophobicContact CD1-CD 4.14Å; Y217-K219 HydrophobicContact CD1-CG 3.86Å; Y217-K219 HydrophobicContact CE1-CB 4.45Å; Y217-K219 HydrophobicContact CE1-CD 3.7Å; Y217-K219 HydrophobicContact CE1-CG 3.94Å; K219-Y224 HydrophobicContact CB-CD2 4.4Å; K219-Y224 HydrophobicContact CB-CE2 3.92Å; K219-Y224 HydrophobicContact CD-CE1 4.49Å; K219-Y224 HydrophobicContact CD-CE2 3.89Å; K219-Y224 HydrophobicContact CG-CE2 4.36Å
220	D	97.1	Very high	93.7	Very high	29 Å²	29	57.5 Å²	57.5	16%	0.155	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	122	177.7	-175.8	-41.3	0	0	0	110.3	Q201 N202 R222 H223 Y224	Q201-D220 PolarHBondContact NE2-OD2 2.83Å; N202-D220 WeakPolarHBondContact OD1-CA 3.28Å; D220-R222 PolarHBondContact O-N 3.14Å; D220-R222 VanDerWaalsContact O-N 3.15Å; D220-R222 VanDerWaalsContact OD1-CB 3.27Å; D220-R222 WeakPolarHBondContact OD1-CB 3.45Å; D220-R222 WeakPolarHBondContact OD1-CG 3.29Å; D220-R222 IonicContact OD1-CZ 3.6Å; D220-R222 PolarHBondContact OD1-N 2.99Å; D220-R222 IonicContact OD1-NE 2.75Å; D220-R222 PolarHBondContact OD1-NE 2.82Å; D220-R222 IonicContact OD1-NH2 2.87Å; D220-R222 IonicContact OD2-CZ 2.65Å; D220-R222 IonicContact OD2-NE 3.29Å; D220-R222 PolarHBondContact OD2-NE 3.06Å; D220-R222 IonicContact OD2-NH2 3.06Å; D220-R222 PolarHBondContact OD2-NH2 3.41Å; D220-H223 PolarHBondContact O-N 2.94Å; D220-Y224 WeakPolarHBondContact O-CD2 3.43Å
221	A	96.8	Very high	93.5	Very high	3 Å²	3	58 Å²	58	3%	0.025	33%	0.333	C	S	.	.	G	3₁₀ helix	trans	-61.2	-25.8	-173.6	0	0	0	0	0	113.1	F198 Q201 F203 H223 Y224 F225 M226	F198-A221 HydrophobicContact CD1-CB 4.38Å; F198-A221 HydrophobicContact CE1-CB 3.7Å; F198-A221 HydrophobicContact CZ-CB 4.47Å; Q201-A221 VanDerWaalsContact O-CB 3.27Å; Q201-A221 WeakPolarHBondContact O-CB 3.46Å; Q201-A221 PolarHBondContact O-N 3.01Å; F203-A221 HydrophobicContact CD1-CB 4.08Å; A221-H223 PolarHBondContact O-N 3.06Å; A221-Y224 PolarHBondContact O-N 3.46Å; A221-F225 HydrophobicContact CB-CD2 4.37Å; A221-F225 PolarHBondContact O-N 3.03Å; A221-M226 HydrophobicContact CB-CE 4.03Å
222	R	95.6	Very high	93.1	Very high	37 Å²	37	60.1 Å²	60.1	14%	0.14	36%	0.355	C	S	.	.	G	3₁₀ helix	trans	-66.5	-22.5	-179.3	-63.2	173.4	-67.7	177.1	4.5	113.2	C41 D220 Y224 M226 C228 F231	C41-R222 VanDerWaalsContact O-CD 3.24Å; C41-R222 WeakPolarHBondContact O-CD 3.47Å; C41-R222 PolarHBondContact O-NH1 3.13Å; C41-R222 VanDerWaalsContact O-NH1 3.11Å; D220-R222 PolarHBondContact O-N 3.14Å; D220-R222 VanDerWaalsContact O-N 3.15Å; D220-R222 VanDerWaalsContact OD1-CB 3.27Å; D220-R222 WeakPolarHBondContact OD1-CB 3.45Å; D220-R222 WeakPolarHBondContact OD1-CG 3.29Å; D220-R222 IonicContact OD1-CZ 3.6Å; D220-R222 PolarHBondContact OD1-N 2.99Å; D220-R222 IonicContact OD1-NE 2.75Å; D220-R222 PolarHBondContact OD1-NE 2.82Å; D220-R222 IonicContact OD1-NH2 2.87Å; D220-R222 IonicContact OD2-CZ 2.65Å; D220-R222 IonicContact OD2-NE 3.29Å; D220-R222 PolarHBondContact OD2-NE 3.06Å; D220-R222 IonicContact OD2-NH2 3.06Å; D220-R222 PolarHBondContact OD2-NH2 3.41Å; R222-Y224 VanDerWaalsContact C-N 3.34Å; R222-M226 HydrophobicContact CB-CG 4.36Å; R222-M226 HydrophobicContact CB-SD 4.36Å; R222-M226 HydrophobicContact CG-CG 4.4Å; R222-M226 HydrophobicContact CG-SD 3.77Å; R222-C228 HydrophobicContact CB-CB 4.39Å; R222-F231 HydrophobicContact CB-CB 4.06Å; R222-F231 HydrophobicContact CB-CD1 3.56Å; R222-F231 HydrophobicContact CB-CD2 4.22Å; R222-F231 HydrophobicContact CB-CE1 4.06Å; R222-F231 HydrophobicContact CB-CG 3.67Å; R222-F231 VanDerWaalsContact CZ-CE1 3.42Å; R222-F231 VanDerWaalsContact O-CB 3.24Å; R222-F231 WeakPolarHBondContact O-CB 3.27Å
223	H	95.1	Very high	92.6	Very high	65 Å²	65	59.5 Å²	59.5	30%	0.301	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-76	-22.5	172.8	-76.2	-87.3	0	0	0	113	D220 A221 F231 G232 H233	D220-H223 PolarHBondContact O-N 2.94Å; A221-H223 PolarHBondContact O-N 3.06Å; H223-F231 AromaticContact CD2-CD1 3.63Å; H223-F231 AromaticContact CE1-CD1 3.97Å; H223-F231 AromaticContact NE2-CD1 3.44Å; H223-F231 WeakPolarHBondContact NE2-CD1 3.44Å; H223-G232 PolarHBondContact ND1-N 3.37Å; H223-G232 VanDerWaalsContact ND1-N 3.19Å; H223-G232 PolarHBondContact ND1-O 3.45Å; H223-G232 CarbonylContact O-C 3.55Å; H223-H233 PolarHBondContact O-N 2.68Å; H223-H233 PolarHBondContact O-ND1 2.72Å
224	Y	94.3	Very high	91.5	Very high	83 Å²	83	59.2 Å²	59.2	33%	0.325	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.5	-46.4	-162.3	-64.3	-87.9	0	0	0	115	F203 K219 D220 A221 R222 H233	F203-Y224 AromaticContact CE1-CD2 3.53Å; F203-Y224 HydrophobicContact CE1-CD2 3.53Å; F203-Y224 HydrophobicContact CE1-CE2 4.26Å; F203-Y224 AromaticContact CE1-CG 3.94Å; F203-Y224 HydrophobicContact CE1-CG 3.94Å; F203-Y224 HydrophobicContact CZ-CD1 4.41Å; F203-Y224 AromaticContact CZ-CD2 3.67Å; F203-Y224 HydrophobicContact CZ-CD2 3.67Å; F203-Y224 HydrophobicContact CZ-CE2 4.23Å; F203-Y224 AromaticContact CZ-CG 3.77Å; F203-Y224 HydrophobicContact CZ-CG 3.77Å; K219-Y224 HydrophobicContact CB-CD2 4.4Å; K219-Y224 HydrophobicContact CB-CE2 3.92Å; K219-Y224 HydrophobicContact CD-CE1 4.49Å; K219-Y224 HydrophobicContact CD-CE2 3.89Å; K219-Y224 HydrophobicContact CG-CE2 4.36Å; D220-Y224 WeakPolarHBondContact O-CD2 3.43Å; A221-Y224 PolarHBondContact O-N 3.46Å; R222-Y224 VanDerWaalsContact C-N 3.34Å; Y224-H233 HydrophobicContact CD1-CB 4.18Å; Y224-H233 AromaticContact CD1-CD2 3.64Å; Y224-H233 AromaticContact CD1-CE1 3.75Å; Y224-H233 AromaticContact CD1-CG 3.57Å; Y224-H233 AromaticContact CD1-ND1 3.65Å; Y224-H233 AromaticContact CD1-NE2 3.72Å; Y224-H233 HydrophobicContact CE1-CB 3.81Å; Y224-H233 AromaticContact CE1-CD2 3.7Å; Y224-H233 AromaticContact CE1-CG 3.64Å
225	F	94.7	Very high	90.7	Very high	6 Å²	6	59.6 Å²	59.6	3%	0.026	37%	0.374	C	S	.	.	S	Bend	trans	-107.8	13.5	-169.4	-62.5	-72.4	0	0	0	113.1	F59 F69 F189 W191 Y196 F198 F203 A221	F59-F225 HydrophobicContact CE1-CB 4.29Å; F59-F225 HydrophobicContact CZ-CB 4.33Å; F69-F225 HydrophobicContact CD1-CB 4.36Å; F69-F225 WeakPolarHBondContact CD1-O 3.41Å; F69-F225 HydrophobicContact CE1-CB 4.49Å; F69-F225 AromaticContact CE1-CD1 3.93Å; F69-F225 HydrophobicContact CE1-CD1 3.93Å; F189-F225 HydrophobicContact CE1-CD1 4.42Å; F189-F225 HydrophobicContact CE1-CE1 4.13Å; F189-F225 HydrophobicContact CE1-CZ 4.36Å; F189-F225 AromaticContact CZ-CD1 3.86Å; F189-F225 HydrophobicContact CZ-CD1 3.86Å; F189-F225 AromaticContact CZ-CE1 3.63Å; F189-F225 HydrophobicContact CZ-CE1 3.63Å; F189-F225 HydrophobicContact CZ-CZ 4.28Å; W191-F225 HydrophobicContact CE3-CE1 4.36Å; Y196-F225 HydrophobicContact CD1-CE2 4.43Å; Y196-F225 AromaticContact CD1-CZ 3.8Å; Y196-F225 HydrophobicContact CD1-CZ 3.8Å; Y196-F225 HydrophobicContact CD2-CE1 4.49Å; Y196-F225 HydrophobicContact CD2-CZ 4.1Å; Y196-F225 AromaticContact CE1-CZ 3.82Å; Y196-F225 HydrophobicContact CE1-CZ 3.82Å; Y196-F225 HydrophobicContact CE2-CE1 4.35Å; Y196-F225 HydrophobicContact CE2-CZ 4.14Å; Y196-F225 AromaticContact CG-CZ 3.91Å; Y196-F225 HydrophobicContact CG-CZ 3.91Å; Y196-F225 AromaticContact CZ-CZ 3.97Å; F198-F225 HydrophobicContact CE1-CD2 4.18Å; F198-F225 HydrophobicContact CE2-CD2 4.34Å; F198-F225 HydrophobicContact CE2-CE2 4.07Å; F198-F225 AromaticContact CZ-CD2 3.44Å; F198-F225 HydrophobicContact CZ-CD2 3.44Å; F198-F225 VanDerWaalsContact CZ-CD2 3.44Å; F198-F225 AromaticContact CZ-CE2 3.62Å; F198-F225 HydrophobicContact CZ-CE2 3.62Å; F198-F225 AromaticContact CZ-CG 3.99Å; F198-F225 HydrophobicContact CZ-CG 3.99Å; F198-F225 HydrophobicContact CZ-CZ 4.33Å; F203-F225 AromaticContact CD1-CD2 3.97Å; F203-F225 HydrophobicContact CD1-CD2 3.97Å; F203-F225 AromaticContact CD1-CE2 3.65Å; F203-F225 HydrophobicContact CD1-CE2 3.65Å; F203-F225 AromaticContact CD2-CE2 3.67Å; F203-F225 HydrophobicContact CD2-CE2 3.67Å; F203-F225 HydrophobicContact CD2-CZ 4.31Å; F203-F225 AromaticContact CE1-CD2 3.92Å; F203-F225 HydrophobicContact CE1-CD2 3.92Å; F203-F225 AromaticContact CE1-CE2 3.58Å; F203-F225 HydrophobicContact CE1-CE2 3.58Å; F203-F225 AromaticContact CE2-CE2 3.58Å; F203-F225 HydrophobicContact CE2-CE2 3.58Å; F203-F225 HydrophobicContact CE2-CZ 4.11Å; F203-F225 HydrophobicContact CG-CD2 4.37Å; F203-F225 AromaticContact CG-CE2 3.68Å; F203-F225 HydrophobicContact CG-CE2 3.68Å; F203-F225 HydrophobicContact CZ-CD2 4.26Å; F203-F225 AromaticContact CZ-CE2 3.53Å; F203-F225 HydrophobicContact CZ-CE2 3.53Å; F203-F225 HydrophobicContact CZ-CZ 4.33Å; A221-F225 HydrophobicContact CB-CD2 4.37Å; A221-F225 PolarHBondContact O-N 3.03Å
226	M	91.8	Very high	89.8	Confident	12 Å²	12	64.7 Å²	64.7	6%	0.059	39%	0.386	C	S	.	.	S	Bend	trans	-162.6	159	175.7	55.7	-162.9	86	0	0	110.8	R40 F46 F69 A221 R222	R40-M226 HydrophobicContact CB-SD 3.89Å; R40-M226 HydrophobicContact CG-CB 4.48Å; R40-M226 HydrophobicContact CG-SD 3.8Å; F46-M226 HydrophobicContact CE2-CE 3.63Å; F46-M226 HydrophobicContact CZ-CE 3.77Å; F69-M226 WeakPolarHBondContact O-CA 3.44Å; A221-M226 HydrophobicContact CB-CE 4.03Å; R222-M226 HydrophobicContact CB-CG 4.36Å; R222-M226 HydrophobicContact CB-SD 4.36Å; R222-M226 HydrophobicContact CG-CG 4.4Å; R222-M226 HydrophobicContact CG-SD 3.77Å
227	T	89.9	Confident	88.6	Confident	111 Å²	111	70.3 Å²	70.3	68%	0.681	39%	0.389	S	S	*	.			trans	-95.4	109	173.6	-55.3	0	0	0	0	109.6
228	C	91.6	Very high	87.7	Confident	8 Å²	8	77 Å²	77	5%	0.054	42%	0.419	C	S	.	.			trans	-126.4	142.2	180	-71.1	0	0	0	0	111.6	C41 R222 N230 F231	C41-C228 WeakPolarHBondContact CA-SG 3.49Å; C41-C228 HydrophobicContact CB-CB 3.71Å; C41-C228 WeakPolarHBondContact CB-SG 3.39Å; C41-C228 WeakPolarHBondContact SG-CA 3.46Å; C41-C228 WeakPolarHBondContact SG-CB 3.4Å; C41-C228 CovalentContact SG-SG 2.03Å; C41-C228 PolarHBondContact SG-SG 3.48Å; R222-C228 HydrophobicContact CB-CB 4.39Å; C228-N230 PolarHBondContact O-N 2.87Å; C228-F231 HydrophobicContact CB-CB 3.94Å; C228-F231 HydrophobicContact CB-CD2 3.64Å; C228-F231 HydrophobicContact CB-CG 4.1Å; C228-F231 PolarHBondContact O-N 2.82Å; C228-F231 VanDerWaalsContact O-O 3.1Å
229	P	91.1	Very high	87.1	Confident	97 Å²	97	77.7 Å²	77.7	63%	0.63	42%	0.424	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.1	131.2	175.5	-24.8	34.2	0	0	0	112	F231	P229-F231 WeakPolarHBondContact O-CD2 3.47Å; P229-F231 PolarHBondContact O-N 2.81Å
230	N	90.3	Very high	86.7	Confident	167 Å²	167	79.1 Å²	79.1	89%	0.893	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	6	-176.6	-46	-59.6	0	0	0	115.7	C228	C228-N230 PolarHBondContact O-N 2.87Å
231	F	90.8	Very high	86.5	Confident	60 Å²	60	82.9 Å²	82.9	26%	0.263	45%	0.448	S	S	.	.			trans	-112.7	151.5	170.7	-61	-93.1	0	0	0	109.7	R222 H223 C228 P229	R222-F231 HydrophobicContact CB-CB 4.06Å; R222-F231 HydrophobicContact CB-CD1 3.56Å; R222-F231 HydrophobicContact CB-CD2 4.22Å; R222-F231 HydrophobicContact CB-CE1 4.06Å; R222-F231 HydrophobicContact CB-CG 3.67Å; R222-F231 VanDerWaalsContact CZ-CE1 3.42Å; R222-F231 VanDerWaalsContact O-CB 3.24Å; R222-F231 WeakPolarHBondContact O-CB 3.27Å; H223-F231 AromaticContact CD2-CD1 3.63Å; H223-F231 AromaticContact CE1-CD1 3.97Å; H223-F231 AromaticContact NE2-CD1 3.44Å; H223-F231 WeakPolarHBondContact NE2-CD1 3.44Å; C228-F231 HydrophobicContact CB-CB 3.94Å; C228-F231 HydrophobicContact CB-CD2 3.64Å; C228-F231 HydrophobicContact CB-CG 4.1Å; C228-F231 PolarHBondContact O-N 2.82Å; C228-F231 VanDerWaalsContact O-O 3.1Å; P229-F231 WeakPolarHBondContact O-CD2 3.47Å; P229-F231 PolarHBondContact O-N 2.81Å
232	G	85.6	Confident	86.4	Confident	44 Å²	44	82.9 Å²	82.9	45%	0.454	45%	0.448	S	S	.	.			trans	161.1	162.3	178.9	0	0	0	0	0	112	H223	H223-G232 PolarHBondContact ND1-N 3.37Å; H223-G232 VanDerWaalsContact ND1-N 3.19Å; H223-G232 PolarHBondContact ND1-O 3.45Å; H223-G232 CarbonylContact O-C 3.55Å
233	H	83.8	Confident	86.4	Confident	86 Å²	86	84.3 Å²	84.3	40%	0.398	46%	0.464	S	S	.	.	S	Bend	trans	-136.8	161.4	172.8	71.8	-69.9	0	0	0	108.7	H223 Y224 G235 H277	H223-H233 PolarHBondContact O-N 2.68Å; H223-H233 PolarHBondContact O-ND1 2.72Å; Y224-H233 HydrophobicContact CD1-CB 4.18Å; Y224-H233 AromaticContact CD1-CD2 3.64Å; Y224-H233 AromaticContact CD1-CE1 3.75Å; Y224-H233 AromaticContact CD1-CG 3.57Å; Y224-H233 AromaticContact CD1-ND1 3.65Å; Y224-H233 AromaticContact CD1-NE2 3.72Å; Y224-H233 HydrophobicContact CE1-CB 3.81Å; Y224-H233 AromaticContact CE1-CD2 3.7Å; Y224-H233 AromaticContact CE1-CG 3.64Å; H233-G235 VanDerWaalsContact C-N 3.29Å; H233-G235 PolarHBondContact O-N 2.71Å; H233-H277 AromaticContact NE2-NE2 4Å
234	G	72.7	Confident	86.4	Confident	44 Å²	44	86.2 Å²	86.2	45%	0.454	48%	0.476	S	S	.	.	S	Bend	trans	85.7	-12.7	179.8	0	0	0	0	0	115.4	R237	G234-R237 VanDerWaalsContact O-CD 3.25Å; G234-R237 WeakPolarHBondContact O-CD 3.27Å; G234-R237 VanDerWaalsContact O-CG 3.22Å; G234-R237 WeakPolarHBondContact O-CG 3.21Å; G234-R237 PolarHBondContact O-NE 2.83Å
235	G	71.8	Confident	86.3	Confident	66 Å²	66	82.5 Å²	82.5	68%	0.68	46%	0.462	S	S	*	.			trans	73.1	-158.3	176.9	0	0	0	0	0	113.3	H233 R237	H233-G235 VanDerWaalsContact C-N 3.29Å; H233-G235 PolarHBondContact O-N 2.71Å; G235-R237 PolarHBondContact O-N 3.06Å
236	D	68.4	Low	86.3	Confident	173 Å²	173	87.8 Å²	87.8	93%	0.925	49%	0.485	S	S	*	.	S	Bend	trans	-76	38.8	179.4	-59.7	-39.8	0	0	0	113.1	K238	D236-K238 PolarHBondContact O-N 2.95Å
237	R	68.1	Low	86.6	Confident	203 Å²	203	87.3 Å²	87.3	77%	0.766	48%	0.483	S	S	*	.	P	Polyproline II helix	trans	-65.9	120	179.2	-82.1	177.3	-174.2	-158.1	-0.7	109.4	G234 G235	G234-R237 VanDerWaalsContact O-CD 3.25Å; G234-R237 WeakPolarHBondContact O-CD 3.27Å; G234-R237 VanDerWaalsContact O-CG 3.22Å; G234-R237 WeakPolarHBondContact O-CG 3.21Å; G234-R237 PolarHBondContact O-NE 2.83Å; G235-R237 PolarHBondContact O-N 3.06Å
238	K	78.1	Confident	86.9	Confident	187 Å²	187	84.4 Å²	84.4	81%	0.813	46%	0.463	S	S	*	.	P	Polyproline II helix	trans	-71.3	149	168.9	-65.1	-175.9	-179.6	-178.8	0	109.5	D236 L240	D236-K238 PolarHBondContact O-N 2.95Å; K238-L240 PolarHBondContact O-N 2.93Å
239	P	83.4	Confident	87.3	Confident	92 Å²	92	84 Å²	84	60%	0.597	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-50.5	139.1	167	-23.9	33.7	0	0	0	110.7	E429	P239-E429 HydrophobicContact CB-CB 4.37Å; P239-E429 WeakPolarHBondContact CB-OE2 3.43Å
240	L	88.8	Confident	87.6	Confident	88 Å²	88	79.5 Å²	79.5	46%	0.461	43%	0.431	S	S	.	.	P	Polyproline II helix	trans	-74.3	124.6	176.1	177.2	64.6	0	0	0	108.5	K238 D244 V245 M426 C428 E429	K238-L240 PolarHBondContact O-N 2.93Å; L240-D244 HydrophobicContact CD1-CB 4.27Å; L240-V245 HydrophobicContact CD2-CG2 3.85Å; L240-V245 HydrophobicContact CG-CG2 4.14Å; L240-M426 HydrophobicContact CD2-CE 4.26Å; L240-C428 CarbonylContact O-C 3.6Å; L240-C428 WeakPolarHBondContact O-CA 3.36Å; L240-C428 VanDerWaalsContact O-CB 3.28Å; L240-C428 WeakPolarHBondContact O-CB 3.45Å; L240-E429 PolarHBondContact O-N 2.76Å
241	K	94.3	Very high	88	Confident	108 Å²	108	71.9 Å²	71.9	47%	0.47	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-75.2	142.8	172.7	-64.6	-174.6	174	-167.3	0	110.9	S243 D244 V245 E429	K241-S243 PolarHBondContact O-N 3.17Å; K241-D244 HydrophobicContact CB-CB 4.28Å; K241-D244 PolarHBondContact O-N 2.96Å; K241-V245 PolarHBondContact O-N 2.81Å; K241-E429 CarbonylContact C-O 3.55Å; K241-E429 VanDerWaalsContact CA-O 3.25Å; K241-E429 WeakPolarHBondContact CA-O 3.43Å
242	C	94.9	Very high	88.2	Confident	4 Å²	4	71.1 Å²	71.1	3%	0.027	39%	0.391	C	S	.	.	G	3₁₀ helix	trans	-60.6	-34.5	176.8	-61.3	0	0	0	0	111.9	D244 V245 S398 I421 T422 S423 C428 E429 D430	C242-D244 PolarHBondContact O-N 2.51Å; C242-V245 WeakPolarHBondContact O-CB 3.35Å; C242-V245 PolarHBondContact O-N 2.81Å; C242-S398 VanDerWaalsContact O-CB 3.26Å; C242-S398 WeakPolarHBondContact O-CB 3.5Å; C242-I421 WeakPolarHBondContact CB-O 3.48Å; C242-T422 VanDerWaalsContact SG-C 3.57Å; C242-S423 PolarHBondContact SG-N 3.07Å; C242-C428 WeakPolarHBondContact CA-SG 3.43Å; C242-C428 HydrophobicContact CB-CB 3.99Å; C242-C428 WeakPolarHBondContact CB-SG 3.46Å; C242-C428 WeakPolarHBondContact SG-CB 3.36Å; C242-C428 CovalentContact SG-SG 2.03Å; C242-C428 PolarHBondContact SG-SG 3.04Å; C242-E429 PolarHBondContact N-O 2.94Å; C242-E429 PolarHBondContact SG-O 3.37Å; C242-D430 PolarHBondContact SG-OD1 3.46Å
243	S	95.4	Very high	88.6	Confident	66 Å²	66	69.3 Å²	69.3	46%	0.462	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-62.2	-23.4	174.1	65.1	0	0	0	0	114.6	K241 S398	K241-S243 PolarHBondContact O-N 3.17Å; S243-S398 WeakPolarHBondContact O-CB 3.16Å; S243-S398 PolarHBondContact O-OG 3.37Å
244	D	94.1	Very high	88.9	Confident	106 Å²	106	69.7 Å²	69.7	57%	0.567	38%	0.376	S	S	*	.	G	3₁₀ helix	trans	-102.8	-0.7	-174.3	-59	-15.2	0	0	0	111.8	L240 K241 C242 K246	L240-D244 HydrophobicContact CD1-CB 4.27Å; K241-D244 HydrophobicContact CB-CB 4.28Å; K241-D244 PolarHBondContact O-N 2.96Å; C242-D244 PolarHBondContact O-N 2.51Å; D244-K246 PolarHBondContact O-N 2.77Å
245	V	93	Very high	89.6	Confident	4 Å²	4	70.6 Å²	70.6	2%	0.024	39%	0.386	C	S	.	.			trans	-63.6	135.4	176.7	169	0	0	0	0	109.9	L240 K241 C242 L247 G397 S398 I421 M426 C428	L240-V245 HydrophobicContact CD2-CG2 3.85Å; L240-V245 HydrophobicContact CG-CG2 4.14Å; K241-V245 PolarHBondContact O-N 2.81Å; C242-V245 WeakPolarHBondContact O-CB 3.35Å; C242-V245 PolarHBondContact O-N 2.81Å; V245-L247 HydrophobicContact CG1-CD2 4.15Å; V245-L247 HydrophobicContact CG1-CG 4.31Å; V245-G397 CarbonylContact O-C 3.58Å; V245-S398 WeakPolarHBondContact O-CA 3.21Å; V245-S398 PolarHBondContact O-N 2.81Å; V245-I421 HydrophobicContact CB-CD1 4.13Å; V245-I421 HydrophobicContact CB-CG2 4.31Å; V245-I421 HydrophobicContact CG1-CD1 3.51Å; V245-I421 HydrophobicContact CG1-CG2 4.28Å; V245-I421 HydrophobicContact CG2-CG2 4.25Å; V245-M426 HydrophobicContact CB-CE 4.17Å; V245-M426 HydrophobicContact CB-SD 3.94Å; V245-M426 HydrophobicContact CG1-CE 3.54Å; V245-M426 HydrophobicContact CG1-SD 3.4Å; V245-M426 WeakPolarHBondContact CG1-SD 3.09Å; V245-M426 HydrophobicContact CG2-CE 3.52Å; V245-M426 HydrophobicContact CG2-SD 3.37Å; V245-M426 WeakPolarHBondContact CG2-SD 3.31Å; V245-C428 HydrophobicContact CG2-CB 4.2Å
246	K	94.9	Very high	90.5	Very high	117 Å²	117	69.4 Å²	69.4	51%	0.509	37%	0.373	S	S	.	.			trans	-140	113.7	164.3	-173.8	172.9	-176.9	170.2	0	109.5	D244 D383	D244-K246 PolarHBondContact O-N 2.77Å; K246-D383 WeakPolarHBondContact CE-OD1 3.34Å; K246-D383 WeakPolarHBondContact CE-OD2 3.39Å; K246-D383 IonicContact NZ-OD1 2.68Å; K246-D383 PolarHBondContact NZ-OD1 2.9Å; K246-D383 IonicContact NZ-OD2 3.1Å
247	L	96.8	Very high	91.7	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.01	33%	0.332	C	S	.	.			trans	-79.8	156.6	172.8	-58.3	-173.2	0	0	0	110.1	V245 F260 F261 D383 A384 F395 M426	V245-L247 HydrophobicContact CG1-CD2 4.15Å; V245-L247 HydrophobicContact CG1-CG 4.31Å; L247-F260 HydrophobicContact CD1-CB 4.38Å; L247-F260 HydrophobicContact CD1-CD1 4.33Å; L247-F260 HydrophobicContact CD1-CD2 4.08Å; L247-F260 HydrophobicContact CD1-CE2 4.49Å; L247-F260 HydrophobicContact CD1-CG 4.01Å; L247-F260 HydrophobicContact CD2-CB 4.05Å; L247-F260 HydrophobicContact CD2-CD2 4.43Å; L247-F260 HydrophobicContact CD2-CG 4.43Å; L247-F261 CarbonylContact C-O 3.55Å; L247-D383 VanDerWaalsContact O-CB 3.24Å; L247-D383 WeakPolarHBondContact O-CB 3.09Å; L247-A384 HydrophobicContact CB-CB 4.26Å; L247-F395 HydrophobicContact CD1-CD1 3.83Å; L247-F395 HydrophobicContact CD1-CD2 4.31Å; L247-F395 HydrophobicContact CD1-CE1 3.97Å; L247-F395 HydrophobicContact CD1-CE2 4.44Å; L247-F395 HydrophobicContact CD1-CG 4Å; L247-F395 HydrophobicContact CD1-CZ 4.28Å; L247-M426 HydrophobicContact CD2-CE 4.22Å
248	N	97.6	Very high	93.1	Very high	50 Å²	50	53.2 Å²	53.2	27%	0.267	30%	0.302	S	S	.	.	S	Bend	trans	-113.6	-21.8	167.9	-66.2	118	0	0	0	112.7	F261 A262 G263 V292 D293 D383	N248-F261 PolarHBondContact N-O 3.14Å; N248-A262 WeakPolarHBondContact OD1-CA 3.41Å; N248-G263 PolarHBondContact OD1-N 3.14Å; N248-V292 VanDerWaalsContact CB-O 3.23Å; N248-V292 WeakPolarHBondContact CB-O 3.43Å; N248-D293 CarbonylContact O-C 3.53Å; N248-D383 CarbonylContact C-O 3.21Å
249	A	98.3	Very high	94	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.008	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.3	159.9	174.2	0	0	0	0	0	110	F261 V292 V295	A249-F261 HydrophobicContact CB-CB 4.1Å; A249-F261 HydrophobicContact CB-CD2 4.04Å; A249-F261 HydrophobicContact CB-CG 4.33Å; A249-F261 PolarHBondContact N-O 3.06Å; A249-F261 PolarHBondContact O-N 3.35Å; A249-V292 HydrophobicContact CB-CG2 3.8Å; A249-V295 HydrophobicContact CB-CB 3.81Å; A249-V295 HydrophobicContact CB-CG2 3.53Å
250	A	98.4	Very high	94.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.008	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	147.4	172.3	0	0	0	0	0	109.4	Y259 F260 A384 G385 L386 F395	A250-Y259 CarbonylContact C-O 3.48Å; A250-Y259 VanDerWaalsContact CA-O 3.27Å; A250-Y259 WeakPolarHBondContact CA-O 3.45Å; A250-F260 HydrophobicContact CB-CD1 3.61Å; A250-F260 HydrophobicContact CB-CE1 3.9Å; A250-A384 HydrophobicContact CB-CB 4.4Å; A250-G385 VanDerWaalsContact O-O 3.04Å; A250-L386 HydrophobicContact CB-CB 4Å; A250-L386 HydrophobicContact CB-CD1 4.44Å; A250-F395 HydrophobicContact CB-CE2 4.33Å
251	T	98.1	Very high	95.1	Very high	8 Å²	8	36 Å²	36	5%	0.049	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	155.8	170.4	-165.9	0	0	0	0	110.7	T258 Y259 V295 S297 I302 L386	T251-T258 CarbonylContact O-C 3.6Å; T251-T258 WeakPolarHBondContact O-CA 3.44Å; T251-Y259 PolarHBondContact N-O 2.66Å; T251-Y259 PolarHBondContact O-N 2.79Å; T251-V295 HydrophobicContact CG2-CG1 3.5Å; T251-V295 VanDerWaalsContact CG2-CG1 3.5Å; T251-S297 WeakPolarHBondContact CG2-OG 3.25Å; T251-S297 PolarHBondContact OG1-N 3.39Å; T251-S297 VanDerWaalsContact OG1-N 3.08Å; T251-S297 PolarHBondContact OG1-OG 3.45Å; T251-I302 HydrophobicContact CG2-CD1 3.74Å; T251-I302 HydrophobicContact CG2-CG1 4.22Å; T251-L386 VanDerWaalsContact C-CD1 3.5Å
252	T	96.4	Very high	95.2	Very high	44 Å²	44	32.3 Å²	32.3	27%	0.27	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	127.2	162.2	-60	0	0	0	0	107	R257 T258 S297	T252-R257 CarbonylContact C-O 3.59Å; T252-R257 VanDerWaalsContact CA-O 3.31Å; T252-R257 WeakPolarHBondContact CA-O 3.3Å; T252-T258 WeakPolarHBondContact CG2-OG1 3.45Å; T252-T258 WeakPolarHBondContact OG1-CG2 3.14Å; T252-T258 PolarHBondContact OG1-OG1 2.75Å; T252-S297 WeakPolarHBondContact O-CB 3.39Å; T252-S297 PolarHBondContact O-OG 2.81Å
253	D	93.3	Very high	95.1	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.032	22%	0.218	C	C	.	.			trans	-83.6	171	175.6	73.5	16.9	0	0	0	113.4	G255 G256 R257 S297 A315	D253-G255 PolarHBondContact O-N 3.2Å; D253-G255 VanDerWaalsContact OD1-CA 3.3Å; D253-G255 WeakPolarHBondContact OD1-CA 3.47Å; D253-G255 PolarHBondContact OD1-N 2.79Å; D253-G256 WeakPolarHBondContact O-CA 3.15Å; D253-G256 PolarHBondContact O-N 3.41Å; D253-G256 PolarHBondContact OD1-N 2.9Å; D253-R257 PolarHBondContact N-O 3.05Å; D253-R257 WeakPolarHBondContact OD1-CB 3.39Å; D253-R257 PolarHBondContact OD1-N 3.17Å; D253-R257 IonicContact OD1-NE 3.18Å; D253-R257 IonicContact OD2-CZ 3.57Å; D253-R257 IonicContact OD2-NE 3.46Å; D253-R257 PolarHBondContact OD2-NE 3.2Å; D253-R257 IonicContact OD2-NH2 3.92Å; D253-R257 PolarHBondContact OD2-NH2 3.26Å; D253-S297 WeakPolarHBondContact CA-OG 3.49Å; D253-A315 HydrophobicContact CB-CB 4.44Å
254	D	89.6	Confident	95.1	Very high	94 Å²	94	34.2 Å²	34.2	50%	0.503	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-16	-179.3	-59.4	11.2	0	0	0	113.3	G256 D299 S300	D254-G256 VanDerWaalsContact C-N 3.33Å; D254-D299 WeakPolarHBondContact OD2-CA 3.12Å; D254-D299 PolarHBondContact OD2-N 3.29Å; D254-S300 PolarHBondContact OD2-N 3.13Å
255	G	88.3	Confident	95.1	Very high	63 Å²	63	31.8 Å²	31.8	65%	0.649	21%	0.207	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.1	2.5	172.6	0	0	0	0	0	113.8	D253 R257	D253-G255 PolarHBondContact O-N 3.2Å; D253-G255 VanDerWaalsContact OD1-CA 3.3Å; D253-G255 WeakPolarHBondContact OD1-CA 3.47Å; D253-G255 PolarHBondContact OD1-N 2.79Å; G255-R257 VanDerWaalsContact C-N 3.3Å
256	G	91.1	Very high	95.3	Very high	41 Å²	41	31.7 Å²	31.7	42%	0.423	21%	0.206	S	C	.	.	S	Bend	trans	80.4	4.8	-177.6	0	0	0	0	0	114.4	D253 D254 T258	D253-G256 WeakPolarHBondContact O-CA 3.15Å; D253-G256 PolarHBondContact O-N 3.41Å; D253-G256 PolarHBondContact OD1-N 2.9Å; D254-G256 VanDerWaalsContact C-N 3.33Å; G256-T258 PolarHBondContact O-N 2.89Å
257	R	93.5	Very high	95.4	Very high	13 Å²	13	27.3 Å²	27.3	5%	0.049	19%	0.187	C	C	.	.			trans	-77.5	124.2	-179.3	-53.5	179	-68.7	-161.2	-9.3	108.9	G149 T252 D253 G255 Y259 A315 D316	G149-R257 PolarHBondContact O-NH1 2.77Å; T252-R257 CarbonylContact C-O 3.59Å; T252-R257 VanDerWaalsContact CA-O 3.31Å; T252-R257 WeakPolarHBondContact CA-O 3.3Å; D253-R257 PolarHBondContact N-O 3.05Å; D253-R257 WeakPolarHBondContact OD1-CB 3.39Å; D253-R257 PolarHBondContact OD1-N 3.17Å; D253-R257 IonicContact OD1-NE 3.18Å; D253-R257 IonicContact OD2-CZ 3.57Å; D253-R257 IonicContact OD2-NE 3.46Å; D253-R257 PolarHBondContact OD2-NE 3.2Å; D253-R257 IonicContact OD2-NH2 3.92Å; D253-R257 PolarHBondContact OD2-NH2 3.26Å; G255-R257 VanDerWaalsContact C-N 3.3Å; R257-Y259 HydrophobicContact CB-CD2 4.42Å; R257-Y259 HydrophobicContact CB-CE2 3.51Å; R257-Y259 WeakPolarHBondContact CD-OH 3.38Å; R257-A315 PolarHBondContact NH2-O 3.49Å; R257-D316 PolarHBondContact NH1-O 3.05Å
258	T	96.1	Very high	95.3	Very high	22 Å²	22	28.1 Å²	28.1	14%	0.135	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	124.7	-175.1	-56.8	0	0	0	0	110.1	T251 T252 G256 F260 R268 V269 D270 L386	T251-T258 CarbonylContact O-C 3.6Å; T251-T258 WeakPolarHBondContact O-CA 3.44Å; T252-T258 WeakPolarHBondContact CG2-OG1 3.45Å; T252-T258 WeakPolarHBondContact OG1-CG2 3.14Å; T252-T258 PolarHBondContact OG1-OG1 2.75Å; G256-T258 PolarHBondContact O-N 2.89Å; T258-F260 HydrophobicContact CG2-CE1 4.05Å; T258-R268 CarbonylContact O-C 3.55Å; T258-R268 WeakPolarHBondContact O-CA 3.22Å; T258-V269 HydrophobicContact CG2-CG2 3.49Å; T258-V269 VanDerWaalsContact CG2-CG2 3.49Å; T258-V269 PolarHBondContact O-N 2.82Å; T258-D270 PolarHBondContact N-OD1 3.26Å; T258-L386 HydrophobicContact CG2-CD2 4.44Å
259	Y	97.4	Very high	95.2	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	130.6	-174	-60.1	-76.7	0	0	0	111.3	E193 A250 T251 R257 Y266 M267 R268 W285 F319	E193-Y259 PolarHBondContact OE2-OH 2.94Å; A250-Y259 CarbonylContact C-O 3.48Å; A250-Y259 VanDerWaalsContact CA-O 3.27Å; A250-Y259 WeakPolarHBondContact CA-O 3.45Å; T251-Y259 PolarHBondContact N-O 2.66Å; T251-Y259 PolarHBondContact O-N 2.79Å; R257-Y259 HydrophobicContact CB-CD2 4.42Å; R257-Y259 HydrophobicContact CB-CE2 3.51Å; R257-Y259 WeakPolarHBondContact CD-OH 3.38Å; Y259-Y266 AromaticContact CD1-CD2 3.79Å; Y259-Y266 HydrophobicContact CD1-CD2 3.79Å; Y259-Y266 AromaticContact CD1-CE2 3.96Å; Y259-Y266 HydrophobicContact CD1-CE2 3.96Å; Y259-Y266 HydrophobicContact CE1-CD2 4.32Å; Y259-Y266 HydrophobicContact CE1-CE2 4.01Å; Y259-M267 CarbonylContact C-O 3.46Å; Y259-M267 VanDerWaalsContact CA-O 3.32Å; Y259-M267 WeakPolarHBondContact CA-O 3.24Å; Y259-R268 HydrophobicContact CD1-CB 3.99Å; Y259-R268 HydrophobicContact CD1-CG 4.26Å; Y259-R268 HydrophobicContact CE1-CB 3.84Å; Y259-R268 HydrophobicContact CE1-CG 3.89Å; Y259-W285 AromaticContact CD1-CH2 3.95Å; Y259-W285 HydrophobicContact CD1-CH2 3.95Å; Y259-W285 HydrophobicContact CD2-CH2 4.3Å; Y259-W285 HydrophobicContact CE1-CH2 4.18Å; Y259-W285 AromaticContact CG-CH2 3.99Å; Y259-W285 HydrophobicContact CG-CH2 3.99Å; Y259-F319 AromaticContact CE2-CZ 3.93Å; Y259-F319 HydrophobicContact CE2-CZ 3.93Å; Y259-F319 AromaticContact CZ-CZ 3.88Å; Y259-F319 WeakPolarHBondContact OH-CZ 3.41Å
260	F	97.8	Very high	94.9	Very high	5 Å²	5	28.8 Å²	28.8	2%	0.022	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	140.4	169.2	-66.7	-11.2	0	0	0	110.3	L247 A250 T258 Y266 M267 V269 L386 F395 L425 M426	L247-F260 HydrophobicContact CD1-CB 4.38Å; L247-F260 HydrophobicContact CD1-CD1 4.33Å; L247-F260 HydrophobicContact CD1-CD2 4.08Å; L247-F260 HydrophobicContact CD1-CE2 4.49Å; L247-F260 HydrophobicContact CD1-CG 4.01Å; L247-F260 HydrophobicContact CD2-CB 4.05Å; L247-F260 HydrophobicContact CD2-CD2 4.43Å; L247-F260 HydrophobicContact CD2-CG 4.43Å; A250-F260 HydrophobicContact CB-CD1 3.61Å; A250-F260 HydrophobicContact CB-CE1 3.9Å; T258-F260 HydrophobicContact CG2-CE1 4.05Å; F260-Y266 CarbonylContact O-C 3.46Å; F260-Y266 WeakPolarHBondContact O-CA 3.4Å; F260-M267 PolarHBondContact N-O 3.16Å; F260-M267 PolarHBondContact O-N 2.03Å; F260-V269 HydrophobicContact CD1-CG2 4.33Å; F260-V269 HydrophobicContact CD2-CG1 3.74Å; F260-V269 HydrophobicContact CD2-CG2 4.28Å; F260-V269 HydrophobicContact CE1-CG2 4.05Å; F260-V269 HydrophobicContact CE2-CB 4.46Å; F260-V269 HydrophobicContact CE2-CG1 4.02Å; F260-V269 HydrophobicContact CE2-CG2 4.01Å; F260-V269 HydrophobicContact CG-CG1 4.2Å; F260-V269 HydrophobicContact CG-CG2 4.42Å; F260-V269 HydrophobicContact CZ-CG2 3.89Å; F260-L386 HydrophobicContact CE1-CD2 4.05Å; F260-F395 HydrophobicContact CZ-CZ 4.41Å; F260-L425 HydrophobicContact CE2-CD1 4.09Å; F260-L425 HydrophobicContact CE2-CG 3.97Å; F260-L425 HydrophobicContact CZ-CD1 4.01Å; F260-L425 HydrophobicContact CZ-CG 4.34Å; F260-M426 HydrophobicContact CD2-CB 4.36Å; F260-M426 HydrophobicContact CE2-CB 4.47Å
261	F	98	Very high	94.6	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	137.7	-177.7	-61.2	-99.7	0	0	0	110.2	L247 N248 A249 I265 I281 W285 V292 V295 L304	L247-F261 CarbonylContact C-O 3.55Å; N248-F261 PolarHBondContact N-O 3.14Å; A249-F261 HydrophobicContact CB-CB 4.1Å; A249-F261 HydrophobicContact CB-CD2 4.04Å; A249-F261 HydrophobicContact CB-CG 4.33Å; A249-F261 PolarHBondContact N-O 3.06Å; A249-F261 PolarHBondContact O-N 3.35Å; F261-I265 WeakPolarHBondContact CA-O 3.32Å; F261-I281 HydrophobicContact CD1-CD1 3.88Å; F261-I281 HydrophobicContact CD1-CG1 3.94Å; F261-I281 HydrophobicContact CE1-CG1 4.28Å; F261-W285 AromaticContact CE1-CE3 3.8Å; F261-W285 HydrophobicContact CE1-CE3 3.8Å; F261-W285 AromaticContact CE1-CH2 3.99Å; F261-W285 HydrophobicContact CE1-CH2 3.99Å; F261-W285 AromaticContact CE1-CZ3 3.42Å; F261-W285 HydrophobicContact CE1-CZ3 3.42Å; F261-W285 VanDerWaalsContact CE1-CZ3 3.42Å; F261-W285 HydrophobicContact CZ-CE3 4.19Å; F261-W285 AromaticContact CZ-CH2 3.58Å; F261-W285 HydrophobicContact CZ-CH2 3.58Å; F261-W285 HydrophobicContact CZ-CZ2 4.27Å; F261-W285 AromaticContact CZ-CZ3 3.54Å; F261-W285 HydrophobicContact CZ-CZ3 3.54Å; F261-V292 HydrophobicContact CB-CG2 3.52Å; F261-V292 HydrophobicContact CD1-CG2 3.69Å; F261-V292 HydrophobicContact CD2-CG2 4.37Å; F261-V292 HydrophobicContact CE1-CG2 4.5Å; F261-V292 HydrophobicContact CG-CG2 3.61Å; F261-V295 HydrophobicContact CD2-CG2 4.04Å; F261-V295 HydrophobicContact CE2-CB 4.3Å; F261-V295 HydrophobicContact CE2-CG1 4.15Å; F261-V295 HydrophobicContact CE2-CG2 3.93Å; F261-V295 HydrophobicContact CG-CG2 4.48Å; F261-V295 HydrophobicContact CZ-CG2 4.25Å; F261-L304 HydrophobicContact CE1-CD2 4.06Å; F261-L304 HydrophobicContact CZ-CD2 4.28Å
262	A	95.4	Very high	94.4	Very high	32 Å²	32	34 Å²	34	26%	0.264	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	114	175.4	0	0	0	0	0	110	N248 I265	N248-A262 WeakPolarHBondContact OD1-CA 3.41Å; A262-I265 PolarHBondContact N-O 3.02Å; A262-I265 WeakPolarHBondContact O-CG1 2.99Å; A262-I265 PolarHBondContact O-N 3.04Å
263	G	94.1	Very high	94.3	Very high	31 Å²	31	36.3 Å²	36.3	32%	0.32	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.5	-132.4	-171.2	0	0	0	0	0	111.1	N248 I265 I281 G291	N248-G263 PolarHBondContact OD1-N 3.14Å; G263-I265 VanDerWaalsContact C-N 3.26Å; G263-I265 PolarHBondContact O-N 3.34Å; G263-I281 WeakPolarHBondContact O-CD1 3.47Å; G263-G291 WeakPolarHBondContact O-CA 3.15Å
264	P	94.8	Very high	94.3	Very high	79 Å²	79	36.6 Å²	36.6	51%	0.513	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.6	9	-177.6	36.1	-36.7	0	0	0	114	P280 I281	P264-P280 WeakPolarHBondContact O-CA 3.48Å; P264-I281 PolarHBondContact O-N 3.26Å
265	I	95.1	Very high	94.5	Very high	55 Å²	55	33.4 Å²	33.4	28%	0.282	21%	0.213	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	155	-177.8	58.4	160.5	0	0	0	112.2	F261 A262 G263 A278 F279	F261-I265 WeakPolarHBondContact CA-O 3.32Å; A262-I265 PolarHBondContact N-O 3.02Å; A262-I265 WeakPolarHBondContact O-CG1 2.99Å; A262-I265 PolarHBondContact O-N 3.04Å; G263-I265 VanDerWaalsContact C-N 3.26Å; G263-I265 PolarHBondContact O-N 3.34Å; I265-A278 HydrophobicContact CB-CB 4.21Å; I265-A278 HydrophobicContact CD1-CB 3.47Å; I265-A278 VanDerWaalsContact CD1-CB 3.47Å; I265-A278 HydrophobicContact CG1-CB 4.36Å; I265-F279 CarbonylContact C-O 3.56Å; I265-F279 WeakPolarHBondContact CA-O 3.31Å; I265-F279 WeakPolarHBondContact CB-O 3.02Å
266	Y	96.4	Very high	94.6	Very high	1 Å²	1	33.4 Å²	33.4	0%	0.004	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	159.4	168.2	81	-81.8	0	0	0	110.6	E193 H194 Y259 F260 A278 F279 P280 I281 R283 A284 W285	E193-Y266 WeakPolarHBondContact OE1-CE2 3.46Å; E193-Y266 PolarHBondContact OE1-OH 2.84Å; E193-Y266 VanDerWaalsContact OE1-OH 3.06Å; H194-Y266 PolarHBondContact CE1-OH 2.87Å; H194-Y266 PolarHBondContact NE2-OH 2.71Å; Y259-Y266 AromaticContact CD1-CD2 3.79Å; Y259-Y266 HydrophobicContact CD1-CD2 3.79Å; Y259-Y266 AromaticContact CD1-CE2 3.96Å; Y259-Y266 HydrophobicContact CD1-CE2 3.96Å; Y259-Y266 HydrophobicContact CE1-CD2 4.32Å; Y259-Y266 HydrophobicContact CE1-CE2 4.01Å; F260-Y266 CarbonylContact O-C 3.46Å; F260-Y266 WeakPolarHBondContact O-CA 3.4Å; Y266-A278 CarbonylContact O-C 3.5Å; Y266-A278 WeakPolarHBondContact O-CA 3.35Å; Y266-F279 HydrophobicContact CD1-CB 4.06Å; Y266-F279 VanDerWaalsContact CD1-O 3.28Å; Y266-F279 WeakPolarHBondContact CD1-O 3.24Å; Y266-F279 HydrophobicContact CE1-CB 3.53Å; Y266-F279 PolarHBondContact N-O 2.82Å; Y266-F279 PolarHBondContact O-N 2.91Å; Y266-P280 WeakPolarHBondContact CE1-O 3.4Å; Y266-I281 HydrophobicContact CD1-CG1 4.37Å; Y266-R283 HydrophobicContact CE1-CB 4.42Å; Y266-A284 HydrophobicContact CE1-CB 4.13Å; Y266-W285 HydrophobicContact CD1-CE3 4.48Å; Y266-W285 AromaticContact CD1-CZ3 3.96Å; Y266-W285 HydrophobicContact CD1-CZ3 3.96Å; Y266-W285 HydrophobicContact CD2-CH2 4.26Å; Y266-W285 AromaticContact CD2-CZ3 3.83Å; Y266-W285 HydrophobicContact CD2-CZ3 3.83Å; Y266-W285 HydrophobicContact CE1-CZ3 4.24Å; Y266-W285 HydrophobicContact CE2-CH2 4.46Å; Y266-W285 HydrophobicContact CE2-CZ3 4.15Å; Y266-W285 AromaticContact CG-CZ3 3.72Å; Y266-W285 HydrophobicContact CG-CZ3 3.72Å
267	M	95.8	Very high	94.7	Very high	25 Å²	25	34.3 Å²	34.3	12%	0.123	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.5	170.4	-69.1	-170.6	-61.2	0	0	109.1	Y259 F260 V269 A278 M426	Y259-M267 CarbonylContact C-O 3.46Å; Y259-M267 VanDerWaalsContact CA-O 3.32Å; Y259-M267 WeakPolarHBondContact CA-O 3.24Å; F260-M267 PolarHBondContact N-O 3.16Å; F260-M267 PolarHBondContact O-N 2.03Å; M267-V269 HydrophobicContact CB-CG1 4.21Å; M267-A278 HydrophobicContact CG-CB 3.83Å; M267-A278 HydrophobicContact SD-CB 4.24Å; M267-M426 HydrophobicContact CE-CB 4.1Å; M267-M426 HydrophobicContact CE-CE 3.57Å
268	R	95.4	Very high	94.7	Very high	19 Å²	19	35.2 Å²	35.2	7%	0.072	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	118.5	166.3	-175.5	168.1	171.1	-173.4	-11	109	E150 E193 T258 Y259 D270 T271	E150-R268 IonicContact OE1-CZ 2.79Å; E150-R268 IonicContact OE1-NH1 2.79Å; E150-R268 PolarHBondContact OE1-NH1 3.32Å; E150-R268 IonicContact OE1-NH2 3.82Å; E193-R268 WeakPolarHBondContact OE2-CD 3.17Å; E193-R268 IonicContact OE2-CZ 2.89Å; E193-R268 IonicContact OE2-NE 2.88Å; E193-R268 IonicContact OE2-NH1 2.66Å; E193-R268 PolarHBondContact OE2-NH1 3.05Å; T258-R268 CarbonylContact O-C 3.55Å; T258-R268 WeakPolarHBondContact O-CA 3.22Å; Y259-R268 HydrophobicContact CD1-CB 3.99Å; Y259-R268 HydrophobicContact CD1-CG 4.26Å; Y259-R268 HydrophobicContact CE1-CB 3.84Å; Y259-R268 HydrophobicContact CE1-CG 3.89Å; R268-D270 WeakPolarHBondContact CG-OD1 3.38Å; R268-D270 IonicContact CZ-OD2 3.14Å; R268-D270 IonicContact NE-OD1 3.45Å; R268-D270 PolarHBondContact NE-OD1 2.88Å; R268-D270 VanDerWaalsContact NE-OD1 3.08Å; R268-D270 IonicContact NE-OD2 3.82Å; R268-D270 PolarHBondContact NE-OD2 2.99Å; R268-D270 IonicContact NH2-OD2 2.77Å; R268-D270 PolarHBondContact NH2-OD2 3.26Å; R268-T271 HydrophobicContact CG-CG2 4.42Å; R268-T271 PolarHBondContact O-OG1 2.66Å
269	V	94.9	Very high	94.5	Very high	12 Å²	12	34.5 Å²	34.5	7%	0.073	19%	0.194	C	C	.	.			trans	-109	-15.3	-168.8	-61.6	0	0	0	0	113.9	T258 F260 M267 T271 H272 F276	T258-V269 HydrophobicContact CG2-CG2 3.49Å; T258-V269 VanDerWaalsContact CG2-CG2 3.49Å; T258-V269 PolarHBondContact O-N 2.82Å; F260-V269 HydrophobicContact CD1-CG2 4.33Å; F260-V269 HydrophobicContact CD2-CG1 3.74Å; F260-V269 HydrophobicContact CD2-CG2 4.28Å; F260-V269 HydrophobicContact CE1-CG2 4.05Å; F260-V269 HydrophobicContact CE2-CB 4.46Å; F260-V269 HydrophobicContact CE2-CG1 4.02Å; F260-V269 HydrophobicContact CE2-CG2 4.01Å; F260-V269 HydrophobicContact CG-CG1 4.2Å; F260-V269 HydrophobicContact CG-CG2 4.42Å; F260-V269 HydrophobicContact CZ-CG2 3.89Å; M267-V269 HydrophobicContact CB-CG1 4.21Å; V269-T271 PolarHBondContact O-N 3.19Å; V269-H272 WeakPolarHBondContact O-CB 3.45Å; V269-H272 PolarHBondContact O-N 3.18Å; V269-H272 PolarHBondContact O-ND1 3.43Å; V269-F276 HydrophobicContact CB-CE1 4.38Å; V269-F276 HydrophobicContact CG1-CD1 4.47Å; V269-F276 HydrophobicContact CG1-CE1 4.25Å
270	D	92.9	Very high	94.4	Very high	53 Å²	53	37.7 Å²	37.7	28%	0.283	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-27.2	171	57.2	-70.3	0	0	0	111.8	T258 R268 H272	T258-D270 PolarHBondContact N-OD1 3.26Å; R268-D270 WeakPolarHBondContact CG-OD1 3.38Å; R268-D270 IonicContact CZ-OD2 3.14Å; R268-D270 IonicContact NE-OD1 3.45Å; R268-D270 PolarHBondContact NE-OD1 2.88Å; R268-D270 VanDerWaalsContact NE-OD1 3.08Å; R268-D270 IonicContact NE-OD2 3.82Å; R268-D270 PolarHBondContact NE-OD2 2.99Å; R268-D270 IonicContact NH2-OD2 2.77Å; R268-D270 PolarHBondContact NH2-OD2 3.26Å; D270-H272 VanDerWaalsContact C-N 3.31Å; D270-H272 PolarHBondContact O-N 3.27Å; D270-H272 PolarHBondContact O-ND1 2.85Å
271	T	92.6	Very high	94.3	Very high	15 Å²	15	37.5 Å²	37.5	9%	0.092	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	17.2	178.9	53.7	0	0	0	0	114.4	L192 R268 V269 R273 D274	L192-T271 VanDerWaalsContact CD2-OG1 3.31Å; L192-T271 WeakPolarHBondContact CD2-OG1 3.29Å; R268-T271 HydrophobicContact CG-CG2 4.42Å; R268-T271 PolarHBondContact O-OG1 2.66Å; V269-T271 PolarHBondContact O-N 3.19Å; T271-R273 PolarHBondContact O-N 2.88Å; T271-D274 PolarHBondContact O-N 2.87Å
272	H	93.4	Very high	94.1	Very high	104 Å²	104	40.3 Å²	40.3	48%	0.481	23%	0.231	S	C	.	.	G	3₁₀ helix	trans	-54.9	-25.2	-173.1	59.5	-84.1	0	0	0	115	V269 D270 D274 G275 F276	V269-H272 WeakPolarHBondContact O-CB 3.45Å; V269-H272 PolarHBondContact O-N 3.18Å; V269-H272 PolarHBondContact O-ND1 3.43Å; D270-H272 VanDerWaalsContact C-N 3.31Å; D270-H272 PolarHBondContact O-N 3.27Å; D270-H272 PolarHBondContact O-ND1 2.85Å; H272-D274 PolarHBondContact O-N 2.88Å; H272-G275 WeakPolarHBondContact O-CA 3.48Å; H272-G275 PolarHBondContact O-N 2.78Å; H272-F276 HydrophobicContact CB-CD1 4.37Å; H272-F276 HydrophobicContact CB-CE1 3.57Å; H272-F276 HydrophobicContact CB-CE2 3.76Å; H272-F276 HydrophobicContact CB-CZ 3.23Å
273	R	93.5	Very high	93.9	Very high	93 Å²	93	41.5 Å²	41.5	35%	0.351	23%	0.228	S	C	.	.	G	3₁₀ helix	trans	-52.9	-39.9	171.1	-178.4	-173.6	69.6	-175.9	2	112.3	E53 G55 R92 D103 T271 G275	E53-R273 WeakPolarHBondContact O-CD 3.48Å; G55-R273 WeakPolarHBondContact CA-O 3.34Å; R92-R273 VanDerWaalsContact NH1-NH2 3.18Å; R92-R273 VanDerWaalsContact NH2-NH2 3.15Å; D103-R273 IonicContact OD1-CZ 2.83Å; D103-R273 VanDerWaalsContact OD1-CZ 3.29Å; D103-R273 IonicContact OD1-NH1 3.61Å; D103-R273 PolarHBondContact OD1-NH1 2.86Å; D103-R273 IonicContact OD1-NH2 2.71Å; D103-R273 PolarHBondContact OD1-NH2 2.87Å; D103-R273 IonicContact OD2-CZ 2.68Å; D103-R273 IonicContact OD2-NH1 3.55Å; D103-R273 PolarHBondContact OD2-NH1 2.91Å; D103-R273 IonicContact OD2-NH2 2.72Å; T271-R273 PolarHBondContact O-N 2.88Å; R273-G275 PolarHBondContact O-N 3.44Å
274	D	94.2	Very high	93.8	Very high	11 Å²	11	40.9 Å²	40.9	6%	0.059	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-87.1	6.9	-179.3	-59	-15.3	0	0	0	112.1	G55 R92 W191 L192 T271 H272	G55-D274 WeakPolarHBondContact CA-OD1 3.5Å; R92-D274 IonicContact CZ-OD1 3.53Å; R92-D274 IonicContact CZ-OD2 2.99Å; R92-D274 IonicContact NH1-OD1 3.51Å; R92-D274 PolarHBondContact NH1-OD1 2.8Å; R92-D274 IonicContact NH1-OD2 3.8Å; R92-D274 IonicContact NH2-OD1 3.45Å; R92-D274 PolarHBondContact NH2-OD1 3.03Å; R92-D274 IonicContact NH2-OD2 3.8Å; R92-D274 PolarHBondContact NH2-OD2 3.02Å; W191-D274 PolarHBondContact NE1-O 3.06Å; L192-D274 HydrophobicContact CD2-CB 4.17Å; T271-D274 PolarHBondContact O-N 2.87Å; H272-D274 PolarHBondContact O-N 2.88Å
275	G	92.8	Very high	93.8	Very high	27 Å²	27	37.1 Å²	37.1	28%	0.278	20%	0.196	S	C	.	.			trans	105.6	179.4	-179.9	0	0	0	0	0	113.7	L192 H272 R273	L192-G275 VanDerWaalsContact CD2-O 3.28Å; L192-G275 WeakPolarHBondContact CD2-O 3.49Å; H272-G275 WeakPolarHBondContact O-CA 3.48Å; H272-G275 PolarHBondContact O-N 2.78Å; R273-G275 PolarHBondContact O-N 3.44Å
276	F	92.3	Very high	93.6	Very high	63 Å²	63	43.3 Å²	43.3	28%	0.276	22%	0.216	S	C	.	.			trans	-117.3	137.3	175.8	-67.9	-84.7	0	0	0	109.9	V269 H272	V269-F276 HydrophobicContact CB-CE1 4.38Å; V269-F276 HydrophobicContact CG1-CD1 4.47Å; V269-F276 HydrophobicContact CG1-CE1 4.25Å; H272-F276 HydrophobicContact CB-CD1 4.37Å; H272-F276 HydrophobicContact CB-CE1 3.57Å; H272-F276 HydrophobicContact CB-CE2 3.76Å; H272-F276 HydrophobicContact CB-CZ 3.23Å
277	H	92.6	Very high	93.5	Very high	61 Å²	61	46.8 Å²	46.8	28%	0.282	23%	0.232	S	C	.	.			trans	-154.7	137.1	172.4	-163.9	-79.6	0	0	0	111.2	W191 L192 H233 F279	W191-H277 HydrophobicContact CH2-CB 3.6Å; W191-H277 AromaticContact CH2-CD2 3.61Å; W191-H277 AromaticContact CH2-CG 3.69Å; W191-H277 HydrophobicContact CZ2-CB 4.19Å; W191-H277 HydrophobicContact CZ3-CB 4.2Å; L192-H277 HydrophobicContact CD1-CB 3.48Å; L192-H277 VanDerWaalsContact CD1-CB 3.48Å; H233-H277 AromaticContact NE2-NE2 4Å; H277-F279 HydrophobicContact CB-CE1 4.47Å; H277-F279 HydrophobicContact CB-CE2 4.22Å; H277-F279 HydrophobicContact CB-CZ 3.92Å; H277-F279 AromaticContact CE1-CE1 3.91Å; H277-F279 AromaticContact CG-CZ 3.98Å; H277-F279 AromaticContact ND1-CD1 3.62Å; H277-F279 AromaticContact ND1-CE1 3.26Å; H277-F279 VanDerWaalsContact ND1-CE1 3.26Å; H277-F279 WeakPolarHBondContact ND1-CE1 3.32Å; H277-F279 AromaticContact ND1-CZ 3.61Å
278	A	92.6	Very high	93.5	Very high	32 Å²	32	45.8 Å²	45.8	26%	0.264	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	130.4	174.2	0	0	0	0	0	111.8	I265 Y266 M267	I265-A278 HydrophobicContact CB-CB 4.21Å; I265-A278 HydrophobicContact CD1-CB 3.47Å; I265-A278 VanDerWaalsContact CD1-CB 3.47Å; I265-A278 HydrophobicContact CG1-CB 4.36Å; Y266-A278 CarbonylContact O-C 3.5Å; Y266-A278 WeakPolarHBondContact O-CA 3.35Å; M267-A278 HydrophobicContact CG-CB 3.83Å; M267-A278 HydrophobicContact SD-CB 4.24Å
279	F	93.1	Very high	93.3	Very high	6 Å²	6	49.6 Å²	49.6	3%	0.026	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	148.9	175.1	-60.3	-65.6	0	0	0	110.5	W191 L192 H194 I265 Y266 H277 I281 R283	W191-F279 HydrophobicContact CZ3-CZ 4.22Å; L192-F279 HydrophobicContact CB-CE2 3.99Å; L192-F279 HydrophobicContact CB-CZ 4.28Å; L192-F279 HydrophobicContact CD1-CE2 4.23Å; L192-F279 HydrophobicContact CD1-CZ 4.27Å; H194-F279 AromaticContact CD2-CD2 3.93Å; H194-F279 AromaticContact CD2-CE1 3.85Å; H194-F279 AromaticContact CD2-CE2 3.53Å; H194-F279 AromaticContact CD2-CZ 3.48Å; H194-F279 VanDerWaalsContact CD2-CZ 3.48Å; H194-F279 WeakPolarHBondContact CD2-CZ 3.28Å; H194-F279 AromaticContact NE2-CD1 3.97Å; H194-F279 AromaticContact NE2-CD2 3.41Å; H194-F279 WeakPolarHBondContact NE2-CD2 3.41Å; H194-F279 AromaticContact NE2-CE2 3.53Å; H194-F279 AromaticContact NE2-CG 3.64Å; H194-F279 AromaticContact NE2-CZ 3.86Å; I265-F279 CarbonylContact C-O 3.56Å; I265-F279 WeakPolarHBondContact CA-O 3.31Å; I265-F279 WeakPolarHBondContact CB-O 3.02Å; Y266-F279 HydrophobicContact CD1-CB 4.06Å; Y266-F279 VanDerWaalsContact CD1-O 3.28Å; Y266-F279 WeakPolarHBondContact CD1-O 3.24Å; Y266-F279 HydrophobicContact CE1-CB 3.53Å; Y266-F279 PolarHBondContact N-O 2.82Å; Y266-F279 PolarHBondContact O-N 2.91Å; H277-F279 HydrophobicContact CB-CE1 4.47Å; H277-F279 HydrophobicContact CB-CE2 4.22Å; H277-F279 HydrophobicContact CB-CZ 3.92Å; H277-F279 AromaticContact CE1-CE1 3.91Å; H277-F279 AromaticContact CG-CZ 3.98Å; H277-F279 AromaticContact ND1-CD1 3.62Å; H277-F279 AromaticContact ND1-CE1 3.26Å; H277-F279 VanDerWaalsContact ND1-CE1 3.26Å; H277-F279 WeakPolarHBondContact ND1-CE1 3.32Å; H277-F279 AromaticContact ND1-CZ 3.61Å; F279-I281 PolarHBondContact O-N 3.1Å; F279-R283 VanDerWaalsContact CE1-NH1 3.32Å
280	P	94	Very high	93.1	Very high	67 Å²	67	55.3 Å²	55.3	44%	0.435	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	137	169	-21.7	33.1	0	0	0	110.4	P264 Y266 T282 R283	P264-P280 WeakPolarHBondContact O-CA 3.48Å; Y266-P280 WeakPolarHBondContact CE1-O 3.4Å; P280-T282 PolarHBondContact O-N 3.39Å; P280-R283 WeakPolarHBondContact O-CB 3.4Å; P280-R283 PolarHBondContact O-N 3.47Å
281	I	96	Very high	93.2	Very high	2 Å²	2	52.9 Å²	52.9	1%	0.01	27%	0.267	C	S	.	.	G	3₁₀ helix	trans	-52.8	-39.7	178.6	-71.4	165.9	0	0	0	111.4	F261 G263 P264 Y266 F279 R283 A284 W285 V288	F261-I281 HydrophobicContact CD1-CD1 3.88Å; F261-I281 HydrophobicContact CD1-CG1 3.94Å; F261-I281 HydrophobicContact CE1-CG1 4.28Å; G263-I281 WeakPolarHBondContact O-CD1 3.47Å; P264-I281 PolarHBondContact O-N 3.26Å; Y266-I281 HydrophobicContact CD1-CG1 4.37Å; F279-I281 PolarHBondContact O-N 3.1Å; I281-R283 PolarHBondContact O-N 3.13Å; I281-A284 PolarHBondContact O-N 3.33Å; I281-W285 HydrophobicContact CG2-CB 4.07Å; I281-W285 HydrophobicContact CG2-CE3 4.07Å; I281-W285 PolarHBondContact O-N 3.08Å; I281-V288 HydrophobicContact CG2-CB 3.79Å; I281-V288 HydrophobicContact CG2-CG1 3.83Å; I281-V288 WeakPolarHBondContact CG2-O 3.3Å
282	T	93.4	Very high	93.4	Very high	58 Å²	58	52.3 Å²	52.3	36%	0.356	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-59.4	-11.6	177.9	56.2	0	0	0	0	114.9	P280 W285 V288 N289	P280-T282 PolarHBondContact O-N 3.39Å; T282-W285 WeakPolarHBondContact CA-O 3.45Å; T282-V288 VanDerWaalsContact CG2-O 3.29Å; T282-V288 WeakPolarHBondContact CG2-O 3.36Å; T282-N289 HydrophobicContact CG2-CB 4.49Å; T282-N289 VanDerWaalsContact CG2-OD1 3.28Å; T282-N289 WeakPolarHBondContact CG2-OD1 3.36Å
283	R	91.4	Very high	93.7	Very high	57 Å²	57	49.4 Å²	49.4	22%	0.215	25%	0.251	C	S	.	.	G	3₁₀ helix	trans	-72.3	-31.9	174	-171.9	173.6	177	156.6	-8.1	112.8	H194 Y196 Y266 F279 P280 I281	H194-R283 PolarHBondContact CD2-NE 3.03Å; H194-R283 PolarHBondContact CD2-NH2 3.04Å; H194-R283 PolarHBondContact CE1-NE 3.38Å; H194-R283 PolarHBondContact ND1-NE 3.4Å; H194-R283 PolarHBondContact NE2-NE 3.09Å; Y196-R283 PolarHBondContact OH-NH2 3.15Å; Y266-R283 HydrophobicContact CE1-CB 4.42Å; F279-R283 VanDerWaalsContact CE1-NH1 3.32Å; P280-R283 WeakPolarHBondContact O-CB 3.4Å; P280-R283 PolarHBondContact O-N 3.47Å; I281-R283 PolarHBondContact O-N 3.13Å
284	A	91.8	Very high	93.9	Very high	18 Å²	18	45 Å²	45	15%	0.149	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-42.5	178.1	0	0	0	0	0	111.5	Y266 I281 F319	Y266-A284 HydrophobicContact CE1-CB 4.13Å; I281-A284 PolarHBondContact O-N 3.33Å; A284-F319 HydrophobicContact CB-CD2 4.08Å
285	W	94.6	Very high	94.1	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	23%	0.232	C	C	.	.	S	Bend	trans	-115.7	81.1	-178.9	-57.5	-74.1	0	0	0	110	Y259 F261 Y266 I281 T282 E287 V288 I302 L304 Y313 F319	Y259-W285 AromaticContact CD1-CH2 3.95Å; Y259-W285 HydrophobicContact CD1-CH2 3.95Å; Y259-W285 HydrophobicContact CD2-CH2 4.3Å; Y259-W285 HydrophobicContact CE1-CH2 4.18Å; Y259-W285 AromaticContact CG-CH2 3.99Å; Y259-W285 HydrophobicContact CG-CH2 3.99Å; F261-W285 AromaticContact CE1-CE3 3.8Å; F261-W285 HydrophobicContact CE1-CE3 3.8Å; F261-W285 AromaticContact CE1-CH2 3.99Å; F261-W285 HydrophobicContact CE1-CH2 3.99Å; F261-W285 AromaticContact CE1-CZ3 3.42Å; F261-W285 HydrophobicContact CE1-CZ3 3.42Å; F261-W285 VanDerWaalsContact CE1-CZ3 3.42Å; F261-W285 HydrophobicContact CZ-CE3 4.19Å; F261-W285 AromaticContact CZ-CH2 3.58Å; F261-W285 HydrophobicContact CZ-CH2 3.58Å; F261-W285 HydrophobicContact CZ-CZ2 4.27Å; F261-W285 AromaticContact CZ-CZ3 3.54Å; F261-W285 HydrophobicContact CZ-CZ3 3.54Å; Y266-W285 HydrophobicContact CD1-CE3 4.48Å; Y266-W285 AromaticContact CD1-CZ3 3.96Å; Y266-W285 HydrophobicContact CD1-CZ3 3.96Å; Y266-W285 HydrophobicContact CD2-CH2 4.26Å; Y266-W285 AromaticContact CD2-CZ3 3.83Å; Y266-W285 HydrophobicContact CD2-CZ3 3.83Å; Y266-W285 HydrophobicContact CE1-CZ3 4.24Å; Y266-W285 HydrophobicContact CE2-CH2 4.46Å; Y266-W285 HydrophobicContact CE2-CZ3 4.15Å; Y266-W285 AromaticContact CG-CZ3 3.72Å; Y266-W285 HydrophobicContact CG-CZ3 3.72Å; I281-W285 HydrophobicContact CG2-CB 4.07Å; I281-W285 HydrophobicContact CG2-CE3 4.07Å; I281-W285 PolarHBondContact O-N 3.08Å; T282-W285 WeakPolarHBondContact CA-O 3.45Å; W285-E287 VanDerWaalsContact C-N 3.27Å; W285-E287 PolarHBondContact O-N 2.98Å; W285-E287 VanDerWaalsContact O-N 3.16Å; W285-V288 HydrophobicContact CB-CB 4.35Å; W285-V288 HydrophobicContact CB-CG2 4.18Å; W285-V288 PolarHBondContact O-N 2.87Å; W285-V288 VanDerWaalsContact O-N 3.08Å; W285-I302 HydrophobicContact CH2-CD1 4.33Å; W285-I302 HydrophobicContact CZ2-CD1 3.53Å; W285-L304 HydrophobicContact CB-CD2 4.31Å; W285-L304 HydrophobicContact CD2-CD2 3.88Å; W285-L304 HydrophobicContact CE3-CD2 4.29Å; W285-L304 HydrophobicContact CG-CD1 4.03Å; W285-L304 HydrophobicContact CG-CD2 3.88Å; W285-Y313 HydrophobicContact CB-CE1 4.37Å; W285-Y313 HydrophobicContact CB-CE2 4Å; W285-Y313 AromaticContact CD1-CD1 3.84Å; W285-Y313 AromaticContact CD1-CD2 3.48Å; W285-Y313 VanDerWaalsContact CD1-CD2 3.48Å; W285-Y313 AromaticContact CD1-CE2 3.71Å; W285-Y313 AromaticContact CD1-CG 3.53Å; W285-Y313 HydrophobicContact CG-CD2 4.37Å; W285-Y313 HydrophobicContact CG-CE2 4.22Å; W285-F319 HydrophobicContact CZ2-CD1 4.21Å; W285-F319 HydrophobicContact CZ2-CD2 4.22Å; W285-F319 HydrophobicContact CZ2-CE1 4.04Å; W285-F319 HydrophobicContact CZ2-CE2 4.05Å; W285-F319 HydrophobicContact CZ2-CG 4.3Å; W285-F319 AromaticContact CZ2-CZ 3.95Å; W285-F319 HydrophobicContact CZ2-CZ 3.95Å; W285-F319 AromaticContact NE1-CD1 3.47Å; W285-F319 AromaticContact NE1-CG 3.5Å
286	R	92.1	Very high	94.4	Very high	186 Å²	186	43.2 Å²	43.2	70%	0.702	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	-35.6	-165.3	-176.5	-178.4	178.5	-177	-0.6	114.5	V288	R286-V288 VanDerWaalsContact C-N 3.3Å
287	E	94.6	Very high	94.6	Very high	74 Å²	74	40.6 Å²	40.6	35%	0.346	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-8.4	-175	-62.1	72.8	-158.3	0	0	113	W285 N289 Y311 Y313 L321	W285-E287 VanDerWaalsContact C-N 3.27Å; W285-E287 PolarHBondContact O-N 2.98Å; W285-E287 VanDerWaalsContact O-N 3.16Å; E287-N289 PolarHBondContact O-ND2 2.56Å; E287-Y311 HydrophobicContact CB-CD1 4.34Å; E287-Y311 HydrophobicContact CB-CE1 4.11Å; E287-Y313 WeakPolarHBondContact CB-OH 3.28Å; E287-Y313 PolarHBondContact N-OH 2.96Å; E287-Y313 WeakPolarHBondContact OE2-CE1 3.34Å; E287-Y313 PolarHBondContact OE2-OH 3.03Å; E287-L321 HydrophobicContact CB-CD2 4.35Å; E287-L321 HydrophobicContact CG-CD2 3.81Å
288	V	95.7	Very high	94.8	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.018	20%	0.201	C	C	.	.			trans	-101.4	100.2	-177.7	-174	0	0	0	0	110.3	I281 T282 W285 R286 G291 V292 Y311 Y313	I281-V288 HydrophobicContact CG2-CB 3.79Å; I281-V288 HydrophobicContact CG2-CG1 3.83Å; I281-V288 WeakPolarHBondContact CG2-O 3.3Å; T282-V288 VanDerWaalsContact CG2-O 3.29Å; T282-V288 WeakPolarHBondContact CG2-O 3.36Å; W285-V288 HydrophobicContact CB-CB 4.35Å; W285-V288 HydrophobicContact CB-CG2 4.18Å; W285-V288 PolarHBondContact O-N 2.87Å; W285-V288 VanDerWaalsContact O-N 3.08Å; R286-V288 VanDerWaalsContact C-N 3.3Å; V288-G291 WeakPolarHBondContact CG1-O 3.44Å; V288-V292 HydrophobicContact CG1-CG1 3.78Å; V288-Y311 HydrophobicContact CG2-CD1 4.08Å; V288-Y311 HydrophobicContact CG2-CD2 4.09Å; V288-Y311 HydrophobicContact CG2-CE1 4.38Å; V288-Y311 HydrophobicContact CG2-CE2 4.42Å; V288-Y311 HydrophobicContact CG2-CG 3.92Å; V288-Y313 HydrophobicContact CG2-CE2 4.2Å
289	N	91.4	Very high	94.9	Very high	100 Å²	100	42.3 Å²	42.3	54%	0.535	21%	0.213	S	C	.	.			trans	-99.4	-31.3	-169.8	-63.6	-74.5	0	0	0	114.7	T282 E287	T282-N289 HydrophobicContact CG2-CB 4.49Å; T282-N289 VanDerWaalsContact CG2-OD1 3.28Å; T282-N289 WeakPolarHBondContact CG2-OD1 3.36Å; E287-N289 PolarHBondContact O-ND2 2.56Å
290	D	89.7	Confident	95	Very high	132 Å²	132	45.4 Å²	45.4	71%	0.706	24%	0.235	S	C	*	.	S	Bend	trans	-112.8	32.6	-166.5	-61.3	-48	0	0	0	113.1	K306	D290-K306 VanDerWaalsContact O-CE 3.23Å; D290-K306 WeakPolarHBondContact O-CE 3.31Å; D290-K306 PolarHBondContact O-NZ 3.34Å
291	G	95.4	Very high	95.1	Very high	2 Å²	2	44.4 Å²	44.4	2%	0.021	22%	0.224	C	C	.	.			trans	78.3	-169.6	-175	0	0	0	0	0	113.7	G263 V288 K306	G263-G291 WeakPolarHBondContact O-CA 3.15Å; V288-G291 WeakPolarHBondContact CG1-O 3.44Å; G291-K306 WeakPolarHBondContact O-CD 3.29Å
292	V	97.9	Very high	95.2	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.012	22%	0.223	C	C	.	.			trans	-135.9	151	178.9	-67.5	0	0	0	0	109	N248 A249 F261 V288 V295 L304	N248-V292 VanDerWaalsContact CB-O 3.23Å; N248-V292 WeakPolarHBondContact CB-O 3.43Å; A249-V292 HydrophobicContact CB-CG2 3.8Å; F261-V292 HydrophobicContact CB-CG2 3.52Å; F261-V292 HydrophobicContact CD1-CG2 3.69Å; F261-V292 HydrophobicContact CD2-CG2 4.37Å; F261-V292 HydrophobicContact CE1-CG2 4.5Å; F261-V292 HydrophobicContact CG-CG2 3.61Å; V288-V292 HydrophobicContact CG1-CG1 3.78Å; V292-V295 HydrophobicContact CB-CG2 4.04Å; V292-V295 HydrophobicContact CG1-CG2 4.29Å; V292-V295 HydrophobicContact CG2-CG2 3.72Å; V292-L304 HydrophobicContact CG1-CB 3.91Å; V292-L304 HydrophobicContact CG1-CD2 3.8Å; V292-L304 HydrophobicContact CG1-CG 4.41Å
293	D	98.1	Very high	95.4	Very high	44 Å²	44	41.9 Å²	41.9	24%	0.235	21%	0.207	C	C	.	.	S	Bend	trans	-100.6	-26.1	176	-54.1	-28.8	0	0	0	111.1	N248 I305 K306 G307	N248-D293 CarbonylContact O-C 3.53Å; D293-I305 PolarHBondContact N-O 3.16Å; D293-K306 WeakPolarHBondContact OD1-CD 3.48Å; D293-K306 IonicContact OD1-NZ 2.74Å; D293-K306 PolarHBondContact OD1-NZ 2.96Å; D293-G307 PolarHBondContact OD2-N 2.85Å
294	A	98.5	Very high	95.8	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.9	155.1	171.4	0	0	0	0	0	111	I305 V339 A342	A294-I305 HydrophobicContact CB-CB 4.29Å; A294-I305 HydrophobicContact CB-CD1 4.31Å; A294-I305 PolarHBondContact N-O 3.08Å; A294-I305 PolarHBondContact O-N 2.89Å; A294-V339 HydrophobicContact CB-CB 4.4Å; A294-V339 HydrophobicContact CB-CG1 3.56Å; A294-A342 HydrophobicContact CB-CB 3.96Å
295	V	98.6	Very high	96.1	Very high	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	143.7	177.2	-180	0	0	0	0	109	A249 T251 F261 V292 I302 Y303 L304	A249-V295 HydrophobicContact CB-CB 3.81Å; A249-V295 HydrophobicContact CB-CG2 3.53Å; T251-V295 HydrophobicContact CG2-CG1 3.5Å; T251-V295 VanDerWaalsContact CG2-CG1 3.5Å; F261-V295 HydrophobicContact CD2-CG2 4.04Å; F261-V295 HydrophobicContact CE2-CB 4.3Å; F261-V295 HydrophobicContact CE2-CG1 4.15Å; F261-V295 HydrophobicContact CE2-CG2 3.93Å; F261-V295 HydrophobicContact CG-CG2 4.48Å; F261-V295 HydrophobicContact CZ-CG2 4.25Å; V292-V295 HydrophobicContact CB-CG2 4.04Å; V292-V295 HydrophobicContact CG1-CG2 4.29Å; V292-V295 HydrophobicContact CG2-CG2 3.72Å; V295-I302 HydrophobicContact CG1-CD1 3.8Å; V295-I302 HydrophobicContact CG1-CG1 3.67Å; V295-Y303 VanDerWaalsContact CA-O 3.23Å; V295-Y303 WeakPolarHBondContact CA-O 3.42Å; V295-Y303 WeakPolarHBondContact CG1-O 3.34Å; V295-L304 HydrophobicContact CG1-CG 4.48Å; V295-L304 HydrophobicContact CG2-CB 4.43Å; V295-L304 HydrophobicContact CG2-CD2 4.31Å; V295-L304 HydrophobicContact CG2-CG 4.19Å
296	F	98.5	Very high	96.2	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	159.6	163.8	66.4	-89.1	0	0	0	110.3	Y303 I305 L333 A342 V344 A351 L364	F296-Y303 AromaticContact CD2-CD2 3.9Å; F296-Y303 HydrophobicContact CD2-CD2 3.9Å; F296-Y303 HydrophobicContact CD2-CG 4.08Å; F296-Y303 HydrophobicContact CE1-CD1 4.16Å; F296-Y303 AromaticContact CE1-CG 3.93Å; F296-Y303 HydrophobicContact CE1-CG 3.93Å; F296-Y303 AromaticContact CE2-CD1 3.86Å; F296-Y303 HydrophobicContact CE2-CD1 3.86Å; F296-Y303 AromaticContact CE2-CD2 3.42Å; F296-Y303 HydrophobicContact CE2-CD2 3.42Å; F296-Y303 VanDerWaalsContact CE2-CD2 3.42Å; F296-Y303 HydrophobicContact CE2-CE1 4.26Å; F296-Y303 AromaticContact CE2-CE2 3.91Å; F296-Y303 HydrophobicContact CE2-CE2 3.91Å; F296-Y303 AromaticContact CE2-CG 3.43Å; F296-Y303 HydrophobicContact CE2-CG 3.43Å; F296-Y303 VanDerWaalsContact CE2-CG 3.43Å; F296-Y303 AromaticContact CZ-CD1 3.43Å; F296-Y303 HydrophobicContact CZ-CD1 3.43Å; F296-Y303 VanDerWaalsContact CZ-CD1 3.43Å; F296-Y303 AromaticContact CZ-CD2 3.87Å; F296-Y303 HydrophobicContact CZ-CD2 3.87Å; F296-Y303 HydrophobicContact CZ-CE1 4.05Å; F296-Y303 HydrophobicContact CZ-CE2 4.46Å; F296-Y303 AromaticContact CZ-CG 3.35Å; F296-Y303 HydrophobicContact CZ-CG 3.35Å; F296-Y303 PolarHBondContact N-O 2.59Å; F296-Y303 VanDerWaalsContact N-O 3.1Å; F296-Y303 WeakPolarHBondContact O-CB 3.36Å; F296-Y303 PolarHBondContact O-N 3.04Å; F296-I305 HydrophobicContact CE1-CD1 4.3Å; F296-L333 HydrophobicContact CE1-CD1 4.41Å; F296-L333 HydrophobicContact CZ-CD2 4.12Å; F296-A342 HydrophobicContact CB-CB 4.35Å; F296-A342 HydrophobicContact CD1-CB 3.71Å; F296-A342 HydrophobicContact CG-CB 4.45Å; F296-V344 HydrophobicContact CB-CG2 4.22Å; F296-V344 HydrophobicContact CD2-CG2 3.48Å; F296-V344 VanDerWaalsContact CD2-CG2 3.48Å; F296-V344 HydrophobicContact CE2-CG2 4.13Å; F296-V344 HydrophobicContact CG-CG2 4.1Å; F296-A351 HydrophobicContact CE2-CB 4.28Å; F296-A351 HydrophobicContact CZ-CB 4.24Å; F296-L364 HydrophobicContact CE2-CD1 4.04Å; F296-L364 HydrophobicContact CE2-CD2 4.29Å; F296-L364 HydrophobicContact CZ-CD2 4.36Å
297	S	97.7	Very high	96.4	Very high	8 Å²	8	34.2 Å²	34.2	6%	0.056	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	142.8	175.9	-58.5	0	0	0	0	110.5	T251 T252 D253 K301	T251-S297 WeakPolarHBondContact CG2-OG 3.25Å; T251-S297 PolarHBondContact OG1-N 3.39Å; T251-S297 VanDerWaalsContact OG1-N 3.08Å; T251-S297 PolarHBondContact OG1-OG 3.45Å; T252-S297 WeakPolarHBondContact O-CB 3.39Å; T252-S297 PolarHBondContact O-OG 2.81Å; D253-S297 WeakPolarHBondContact CA-OG 3.49Å; S297-K301 CarbonylContact C-O 3.46Å; S297-K301 VanDerWaalsContact CA-O 3.28Å; S297-K301 WeakPolarHBondContact CA-O 3.2Å
298	Y	96.9	Very high	96.5	Very high	35 Å²	35	34.6 Å²	34.6	14%	0.137	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162	133.3	177.9	175.6	-106.3	0	0	0	111.3	S300 K301 V344 N349 L364	Y298-S300 PolarHBondContact O-N 3.47Å; Y298-K301 PolarHBondContact N-O 2.76Å; Y298-K301 WeakPolarHBondContact O-CB 3.3Å; Y298-K301 PolarHBondContact O-N 2.86Å; Y298-V344 HydrophobicContact CD2-CG1 4.28Å; Y298-N349 HydrophobicContact CE2-CB 4.25Å; Y298-N349 VanDerWaalsContact CE2-OD1 3.32Å; Y298-N349 WeakPolarHBondContact CE2-OD1 3.29Å; Y298-N349 PolarHBondContact OH-OD1 3.04Å; Y298-L364 HydrophobicContact CD1-CB 4.12Å; Y298-L364 HydrophobicContact CD1-CD1 3.63Å; Y298-L364 HydrophobicContact CD1-CG 4.48Å; Y298-L364 HydrophobicContact CD2-CD1 3.64Å; Y298-L364 HydrophobicContact CE1-CB 3.75Å; Y298-L364 HydrophobicContact CE1-CD1 4.06Å; Y298-L364 HydrophobicContact CE2-CB 4.44Å; Y298-L364 HydrophobicContact CE2-CD1 4.09Å; Y298-L364 HydrophobicContact CG-CD1 3.39Å
299	D	94.3	Very high	96.6	Very high	94 Å²	94	38.7 Å²	38.7	50%	0.503	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	52	53.9	171.8	-176.4	44.1	0	0	0	112.3	D254 K301	D254-D299 WeakPolarHBondContact OD2-CA 3.12Å; D254-D299 PolarHBondContact OD2-N 3.29Å; D299-K301 PolarHBondContact O-N 3.21Å; D299-K301 PolarHBondContact O-NZ 3.14Å; D299-K301 IonicContact OD2-NZ 3.84Å; D299-K301 PolarHBondContact OD2-NZ 2.76Å
300	S	93.6	Very high	96.9	Very high	70 Å²	70	33.9 Å²	33.9	49%	0.49	18%	0.184	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	33.5	-178.2	-58.9	0	0	0	0	113.1	D254 Y298 A315	D254-S300 PolarHBondContact OD2-N 3.13Å; Y298-S300 PolarHBondContact O-N 3.47Å; S300-A315 WeakPolarHBondContact O-CB 3.28Å; S300-A315 PolarHBondContact O-N 2.81Å
301	K	96.9	Very high	97.4	Very high	46 Å²	46	28.8 Å²	28.8	20%	0.2	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	152.1	174	-59.8	169.4	-152.3	73.6	0	110	S297 Y298 D299 Y303 I312 Y313 I322	S297-K301 CarbonylContact C-O 3.46Å; S297-K301 VanDerWaalsContact CA-O 3.28Å; S297-K301 WeakPolarHBondContact CA-O 3.2Å; Y298-K301 PolarHBondContact N-O 2.76Å; Y298-K301 WeakPolarHBondContact O-CB 3.3Å; Y298-K301 PolarHBondContact O-N 2.86Å; D299-K301 PolarHBondContact O-N 3.21Å; D299-K301 PolarHBondContact O-NZ 3.14Å; D299-K301 IonicContact OD2-NZ 3.84Å; D299-K301 PolarHBondContact OD2-NZ 2.76Å; K301-Y303 HydrophobicContact CB-CD2 4.43Å; K301-Y303 HydrophobicContact CB-CE2 3.87Å; K301-I312 HydrophobicContact CB-CG2 3.8Å; K301-I312 HydrophobicContact CD-CG2 3.83Å; K301-I312 HydrophobicContact CG-CG2 4.14Å; K301-Y313 CarbonylContact C-O 3.58Å; K301-Y313 WeakPolarHBondContact CA-O 3.25Å; K301-Y313 WeakPolarHBondContact CB-O 3.41Å; K301-I322 HydrophobicContact CD-CD1 3.78Å; K301-I322 HydrophobicContact CG-CD1 4.24Å
302	I	97.9	Very high	97.5	Very high	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	129.9	170.3	-172.3	173.6	0	0	0	109.1	T251 W285 V295 L304 I312 Y313 F319	T251-I302 HydrophobicContact CG2-CD1 3.74Å; T251-I302 HydrophobicContact CG2-CG1 4.22Å; W285-I302 HydrophobicContact CH2-CD1 4.33Å; W285-I302 HydrophobicContact CZ2-CD1 3.53Å; V295-I302 HydrophobicContact CG1-CD1 3.8Å; V295-I302 HydrophobicContact CG1-CG1 3.67Å; I302-L304 HydrophobicContact CG1-CD1 4.26Å; I302-L304 HydrophobicContact CG2-CD1 4.09Å; I302-I312 WeakPolarHBondContact O-CA 3.28Å; I302-Y313 PolarHBondContact N-O 2.82Å; I302-Y313 PolarHBondContact O-N 2.89Å; I302-F319 HydrophobicContact CG2-CD1 3.73Å; I302-F319 HydrophobicContact CG2-CE1 3.93Å
303	Y	98.4	Very high	97.5	Very high	7 Å²	7	28.8 Å²	28.8	3%	0.027	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	113.9	-177.9	-68.6	-110.5	0	0	0	107.6	V295 F296 K301 V310 Y311 I312 R369	V295-Y303 VanDerWaalsContact CA-O 3.23Å; V295-Y303 WeakPolarHBondContact CA-O 3.42Å; V295-Y303 WeakPolarHBondContact CG1-O 3.34Å; F296-Y303 AromaticContact CD2-CD2 3.9Å; F296-Y303 HydrophobicContact CD2-CD2 3.9Å; F296-Y303 HydrophobicContact CD2-CG 4.08Å; F296-Y303 HydrophobicContact CE1-CD1 4.16Å; F296-Y303 AromaticContact CE1-CG 3.93Å; F296-Y303 HydrophobicContact CE1-CG 3.93Å; F296-Y303 AromaticContact CE2-CD1 3.86Å; F296-Y303 HydrophobicContact CE2-CD1 3.86Å; F296-Y303 AromaticContact CE2-CD2 3.42Å; F296-Y303 HydrophobicContact CE2-CD2 3.42Å; F296-Y303 VanDerWaalsContact CE2-CD2 3.42Å; F296-Y303 HydrophobicContact CE2-CE1 4.26Å; F296-Y303 AromaticContact CE2-CE2 3.91Å; F296-Y303 HydrophobicContact CE2-CE2 3.91Å; F296-Y303 AromaticContact CE2-CG 3.43Å; F296-Y303 HydrophobicContact CE2-CG 3.43Å; F296-Y303 VanDerWaalsContact CE2-CG 3.43Å; F296-Y303 AromaticContact CZ-CD1 3.43Å; F296-Y303 HydrophobicContact CZ-CD1 3.43Å; F296-Y303 VanDerWaalsContact CZ-CD1 3.43Å; F296-Y303 AromaticContact CZ-CD2 3.87Å; F296-Y303 HydrophobicContact CZ-CD2 3.87Å; F296-Y303 HydrophobicContact CZ-CE1 4.05Å; F296-Y303 HydrophobicContact CZ-CE2 4.46Å; F296-Y303 AromaticContact CZ-CG 3.35Å; F296-Y303 HydrophobicContact CZ-CG 3.35Å; F296-Y303 PolarHBondContact N-O 2.59Å; F296-Y303 VanDerWaalsContact N-O 3.1Å; F296-Y303 WeakPolarHBondContact O-CB 3.36Å; F296-Y303 PolarHBondContact O-N 3.04Å; K301-Y303 HydrophobicContact CB-CD2 4.43Å; K301-Y303 HydrophobicContact CB-CE2 3.87Å; Y303-V310 HydrophobicContact CD1-CG1 4.18Å; Y303-Y311 CarbonylContact C-O 3.55Å; Y303-Y311 WeakPolarHBondContact CA-O 3.43Å; Y303-I312 HydrophobicContact CD1-CD1 3.65Å; Y303-I312 HydrophobicContact CD1-CG1 3.62Å; Y303-I312 HydrophobicContact CE1-CD1 3.15Å; Y303-I312 HydrophobicContact CE1-CG1 3.68Å; Y303-I312 HydrophobicContact CE1-CG2 4.38Å; Y303-I312 HydrophobicContact CE2-CG2 4.33Å; Y303-I312 HydrophobicContact CG-CG1 4.26Å; Y303-R369 PolarHBondContact OH-NH2 3.48Å
304	L	98.6	Very high	97.3	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	125.9	176.3	-57.1	97.6	0	0	0	108.9	F261 W285 V292 V295 I302 V310 Y311 Y313	F261-L304 HydrophobicContact CE1-CD2 4.06Å; F261-L304 HydrophobicContact CZ-CD2 4.28Å; W285-L304 HydrophobicContact CB-CD2 4.31Å; W285-L304 HydrophobicContact CD2-CD2 3.88Å; W285-L304 HydrophobicContact CE3-CD2 4.29Å; W285-L304 HydrophobicContact CG-CD1 4.03Å; W285-L304 HydrophobicContact CG-CD2 3.88Å; V292-L304 HydrophobicContact CG1-CB 3.91Å; V292-L304 HydrophobicContact CG1-CD2 3.8Å; V292-L304 HydrophobicContact CG1-CG 4.41Å; V295-L304 HydrophobicContact CG1-CG 4.48Å; V295-L304 HydrophobicContact CG2-CB 4.43Å; V295-L304 HydrophobicContact CG2-CD2 4.31Å; V295-L304 HydrophobicContact CG2-CG 4.19Å; I302-L304 HydrophobicContact CG1-CD1 4.26Å; I302-L304 HydrophobicContact CG2-CD1 4.09Å; L304-V310 WeakPolarHBondContact O-CA 3.46Å; L304-Y311 PolarHBondContact N-O 2.91Å; L304-Y311 PolarHBondContact O-N 3.02Å; L304-Y313 HydrophobicContact CD1-CD2 3.41Å; L304-Y313 VanDerWaalsContact CD1-CD2 3.41Å; L304-Y313 HydrophobicContact CD1-CE2 3.76Å; L304-Y313 HydrophobicContact CD1-CG 4.46Å
305	I	98.6	Very high	96.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	127.2	-177.5	-53.1	178	0	0	0	108.4	D293 A294 F296 Q309 V310 V329 L333 V339	D293-I305 PolarHBondContact N-O 3.16Å; A294-I305 HydrophobicContact CB-CB 4.29Å; A294-I305 HydrophobicContact CB-CD1 4.31Å; A294-I305 PolarHBondContact N-O 3.08Å; A294-I305 PolarHBondContact O-N 2.89Å; F296-I305 HydrophobicContact CE1-CD1 4.3Å; I305-Q309 CarbonylContact C-O 3.17Å; I305-Q309 WeakPolarHBondContact CA-O 3.44Å; I305-V310 HydrophobicContact CG1-CG2 4.31Å; I305-V329 HydrophobicContact CG2-CG2 3.86Å; I305-L333 HydrophobicContact CD1-CD1 3.93Å; I305-V339 HydrophobicContact CD1-CB 4.46Å; I305-V339 HydrophobicContact CD1-CG1 4.15Å; I305-V339 HydrophobicContact CD1-CG2 4.39Å; I305-V339 HydrophobicContact CG2-CB 4.2Å; I305-V339 HydrophobicContact CG2-CG2 4.31Å
306	K	97.5	Very high	96	Very high	68 Å²	68	35.5 Å²	35.5	30%	0.296	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	116.3	173.1	-177.6	59.5	179.4	-179.9	0	110.3	D290 G291 D293 D308 Q309	D290-K306 VanDerWaalsContact O-CE 3.23Å; D290-K306 WeakPolarHBondContact O-CE 3.31Å; D290-K306 PolarHBondContact O-NZ 3.34Å; G291-K306 WeakPolarHBondContact O-CD 3.29Å; D293-K306 WeakPolarHBondContact OD1-CD 3.48Å; D293-K306 IonicContact OD1-NZ 2.74Å; D293-K306 PolarHBondContact OD1-NZ 2.96Å; K306-D308 PolarHBondContact O-N 3.42Å; K306-Q309 PolarHBondContact N-O 3.4Å; K306-Q309 WeakPolarHBondContact O-CB 3.03Å; K306-Q309 PolarHBondContact O-N 3.26Å
307	G	95.9	Very high	94.7	Very high	32 Å²	32	36.8 Å²	36.8	33%	0.33	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	57	-121.8	-171.2	0	0	0	0	0	110.6	D293	D293-G307 PolarHBondContact OD2-N 2.85Å
308	D	96.8	Very high	93.7	Very high	82 Å²	82	39.3 Å²	39.3	44%	0.439	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.7	6.2	175.1	-171.5	39.5	0	0	0	112.8	K306 T328 V329	K306-D308 PolarHBondContact O-N 3.42Å; D308-T328 CarbonylContact O-C 3.53Å; D308-T328 WeakPolarHBondContact O-CA 3.07Å; D308-V329 PolarHBondContact O-N 2.9Å; D308-V329 PolarHBondContact OD1-N 3.34Å
309	Q	97.5	Very high	93.3	Very high	89 Å²	89	38.4 Å²	38.4	42%	0.416	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	131.5	-177.3	-65.1	-171.6	-52.6	0	0	111.9	I305 K306 Y311 P326 K327	I305-Q309 CarbonylContact C-O 3.17Å; I305-Q309 WeakPolarHBondContact CA-O 3.44Å; K306-Q309 PolarHBondContact N-O 3.4Å; K306-Q309 WeakPolarHBondContact O-CB 3.03Å; K306-Q309 PolarHBondContact O-N 3.26Å; Q309-Y311 HydrophobicContact CB-CD2 4.45Å; Q309-Y311 HydrophobicContact CB-CE2 3.77Å; Q309-Y311 PolarHBondContact OE1-OH 2.88Å; Q309-Y311 VanDerWaalsContact OE1-OH 3.06Å; Q309-P326 HydrophobicContact CB-CB 4.07Å; Q309-P326 HydrophobicContact CG-CB 4.47Å; Q309-K327 WeakPolarHBondContact CA-O 3.08Å
310	V	98.4	Very high	93.3	Very high	0 Å²	0	37.1 Å²	37.1	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	125.6	168.9	-174.2	0	0	0	0	108.3	Y303 L304 I305 I312 Y325 P326 K327 V329 E332	Y303-V310 HydrophobicContact CD1-CG1 4.18Å; L304-V310 WeakPolarHBondContact O-CA 3.46Å; I305-V310 HydrophobicContact CG1-CG2 4.31Å; V310-I312 HydrophobicContact CG1-CG1 4.16Å; V310-Y325 WeakPolarHBondContact O-CD1 3.48Å; V310-P326 WeakPolarHBondContact O-CA 3.45Å; V310-P326 WeakPolarHBondContact O-CB 3.36Å; V310-K327 PolarHBondContact N-O 3.33Å; V310-K327 PolarHBondContact O-N 3.3Å; V310-V329 HydrophobicContact CG2-CB 4.28Å; V310-V329 HydrophobicContact CG2-CG2 3.67Å; V310-E332 HydrophobicContact CB-CB 4.27Å; V310-E332 HydrophobicContact CB-CG 4.29Å; V310-E332 HydrophobicContact CG1-CG 4Å; V310-E332 HydrophobicContact CG2-CB 4.22Å
311	Y	98.5	Very high	93.4	Very high	25 Å²	25	35.7 Å²	35.7	10%	0.098	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	132	170.5	-59.4	-103.9	0	0	0	108.2	E287 V288 Y303 L304 Q309 L321 P326	E287-Y311 HydrophobicContact CB-CD1 4.34Å; E287-Y311 HydrophobicContact CB-CE1 4.11Å; V288-Y311 HydrophobicContact CG2-CD1 4.08Å; V288-Y311 HydrophobicContact CG2-CD2 4.09Å; V288-Y311 HydrophobicContact CG2-CE1 4.38Å; V288-Y311 HydrophobicContact CG2-CE2 4.42Å; V288-Y311 HydrophobicContact CG2-CG 3.92Å; Y303-Y311 CarbonylContact C-O 3.55Å; Y303-Y311 WeakPolarHBondContact CA-O 3.43Å; L304-Y311 PolarHBondContact N-O 2.91Å; L304-Y311 PolarHBondContact O-N 3.02Å; Q309-Y311 HydrophobicContact CB-CD2 4.45Å; Q309-Y311 HydrophobicContact CB-CE2 3.77Å; Q309-Y311 PolarHBondContact OE1-OH 2.88Å; Q309-Y311 VanDerWaalsContact OE1-OH 3.06Å; Y311-L321 HydrophobicContact CD1-CD1 4.2Å; Y311-P326 HydrophobicContact CD1-CB 3.86Å; Y311-P326 HydrophobicContact CD1-CG 4.22Å; Y311-P326 HydrophobicContact CD2-CB 4.22Å; Y311-P326 HydrophobicContact CE1-CB 3.75Å; Y311-P326 HydrophobicContact CE1-CG 3.7Å; Y311-P326 HydrophobicContact CE2-CB 4.11Å; Y311-P326 HydrophobicContact CG-CB 4.09Å
312	I	98.3	Very high	93.4	Very high	2 Å²	2	35.5 Å²	35.5	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	124.2	175.1	-52.9	-177.9	0	0	0	109.3	K301 I302 Y303 V310 I322 Y325 E332	K301-I312 HydrophobicContact CB-CG2 3.8Å; K301-I312 HydrophobicContact CD-CG2 3.83Å; K301-I312 HydrophobicContact CG-CG2 4.14Å; I302-I312 WeakPolarHBondContact O-CA 3.28Å; Y303-I312 HydrophobicContact CD1-CD1 3.65Å; Y303-I312 HydrophobicContact CD1-CG1 3.62Å; Y303-I312 HydrophobicContact CE1-CD1 3.15Å; Y303-I312 HydrophobicContact CE1-CG1 3.68Å; Y303-I312 HydrophobicContact CE1-CG2 4.38Å; Y303-I312 HydrophobicContact CE2-CG2 4.33Å; Y303-I312 HydrophobicContact CG-CG1 4.26Å; V310-I312 HydrophobicContact CG1-CG1 4.16Å; I312-I322 HydrophobicContact CB-CD1 4.23Å; I312-I322 HydrophobicContact CG2-CD1 3.61Å; I312-I322 HydrophobicContact CG2-CG1 4.35Å; I312-I322 PolarHBondContact O-N 3.31Å; I312-Y325 HydrophobicContact CB-CD1 4.27Å; I312-Y325 HydrophobicContact CB-CD2 4.22Å; I312-Y325 HydrophobicContact CB-CE1 4.25Å; I312-Y325 HydrophobicContact CB-CE2 4.16Å; I312-Y325 HydrophobicContact CB-CG 4.27Å; I312-Y325 HydrophobicContact CD1-CD1 4.18Å; I312-Y325 HydrophobicContact CD1-CE1 3.36Å; I312-Y325 HydrophobicContact CD1-CE2 3.86Å; I312-Y325 WeakPolarHBondContact CD1-OH 3.39Å; I312-Y325 HydrophobicContact CG1-CD1 3.82Å; I312-Y325 HydrophobicContact CG1-CD2 4.49Å; I312-Y325 HydrophobicContact CG1-CE1 3.5Å; I312-Y325 HydrophobicContact CG1-CE2 4.2Å; I312-Y325 HydrophobicContact CG1-CG 4.32Å; I312-E332 HydrophobicContact CD1-CG 4.21Å; I312-E332 WeakPolarHBondContact CD1-OE1 3.22Å
313	Y	97.6	Very high	93.4	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.008	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	143.2	175.1	-67.7	-100.4	0	0	0	109.9	W285 E287 V288 K301 I302 L304 A315 F319 T320 L321	W285-Y313 HydrophobicContact CB-CE1 4.37Å; W285-Y313 HydrophobicContact CB-CE2 4Å; W285-Y313 AromaticContact CD1-CD1 3.84Å; W285-Y313 AromaticContact CD1-CD2 3.48Å; W285-Y313 VanDerWaalsContact CD1-CD2 3.48Å; W285-Y313 AromaticContact CD1-CE2 3.71Å; W285-Y313 AromaticContact CD1-CG 3.53Å; W285-Y313 HydrophobicContact CG-CD2 4.37Å; W285-Y313 HydrophobicContact CG-CE2 4.22Å; E287-Y313 WeakPolarHBondContact CB-OH 3.28Å; E287-Y313 PolarHBondContact N-OH 2.96Å; E287-Y313 WeakPolarHBondContact OE2-CE1 3.34Å; E287-Y313 PolarHBondContact OE2-OH 3.03Å; V288-Y313 HydrophobicContact CG2-CE2 4.2Å; K301-Y313 CarbonylContact C-O 3.58Å; K301-Y313 WeakPolarHBondContact CA-O 3.25Å; K301-Y313 WeakPolarHBondContact CB-O 3.41Å; I302-Y313 PolarHBondContact N-O 2.82Å; I302-Y313 PolarHBondContact O-N 2.89Å; L304-Y313 HydrophobicContact CD1-CD2 3.41Å; L304-Y313 VanDerWaalsContact CD1-CD2 3.41Å; L304-Y313 HydrophobicContact CD1-CE2 3.76Å; L304-Y313 HydrophobicContact CD1-CG 4.46Å; Y313-A315 PolarHBondContact O-N 3.22Å; Y313-F319 HydrophobicContact CD1-CB 4.25Å; Y313-F319 WeakPolarHBondContact CD1-O 3.27Å; Y313-T320 CarbonylContact C-O 3.55Å; Y313-T320 VanDerWaalsContact CA-O 3.3Å; Y313-T320 WeakPolarHBondContact CA-O 3.43Å; Y313-L321 VanDerWaalsContact CD1-CA 3.44Å; Y313-L321 HydrophobicContact CD1-CB 3.88Å; Y313-L321 HydrophobicContact CD1-CD1 4.32Å; Y313-L321 HydrophobicContact CD2-CD1 4.06Å; Y313-L321 HydrophobicContact CE1-CB 3.56Å; Y313-L321 HydrophobicContact CE1-CD1 4Å; Y313-L321 HydrophobicContact CE1-CG 4.35Å; Y313-L321 HydrophobicContact CE2-CD1 3.7Å; Y313-L321 HydrophobicContact CG-CD1 4.38Å
314	K	94.6	Very high	93.3	Very high	106 Å²	106	47.1 Å²	47.1	46%	0.461	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	127.6	164	-63.6	-179.3	-178.4	176.9	0	108.2	D316 F319 T320 I322	K314-D316 WeakPolarHBondContact CB-OD2 3.31Å; K314-D316 PolarHBondContact O-N 2.93Å; K314-F319 VanDerWaalsContact O-CA 3.25Å; K314-F319 WeakPolarHBondContact O-CA 3.44Å; K314-T320 PolarHBondContact N-O 2.8Å; K314-I322 HydrophobicContact CG-CD1 4.41Å; K314-I322 HydrophobicContact CG-CG1 4.1Å
315	A	88.6	Confident	93.3	Very high	17 Å²	17	48.9 Å²	48.9	14%	0.14	27%	0.266	C	S	.	.			trans	-81.5	46.1	176.9	0	0	0	0	0	111.3	D253 R257 S300 Y313 F319	D253-A315 HydrophobicContact CB-CB 4.44Å; R257-A315 PolarHBondContact NH2-O 3.49Å; S300-A315 WeakPolarHBondContact O-CB 3.28Å; S300-A315 PolarHBondContact O-N 2.81Å; Y313-A315 PolarHBondContact O-N 3.22Å; A315-F319 HydrophobicContact CB-CE1 4.05Å
316	D	81.6	Confident	93.3	Very high	62 Å²	62	51.2 Å²	51.2	33%	0.332	28%	0.282	S	S	.	.	S	Bend	trans	-90.1	-161.8	171.9	58.4	32	0	0	0	110.4	G149 R257 K314 H318 F319	G149-D316 CarbonylContact O-C 3.43Å; R257-D316 PolarHBondContact NH1-O 3.05Å; K314-D316 WeakPolarHBondContact CB-OD2 3.31Å; K314-D316 PolarHBondContact O-N 2.93Å; D316-H318 PolarHBondContact O-N 3.36Å; D316-H318 VanDerWaalsContact O-N 3.13Å; D316-H318 PolarHBondContact OD1-N 2.81Å; D316-H318 VanDerWaalsContact OD1-N 3.14Å; D316-F319 PolarHBondContact OD1-N 3.45Å
317	A	71.1	Confident	93.3	Very high	28 Å²	28	51.5 Å²	51.5	23%	0.231	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-18.2	-177.5	0	0	0	0	0	115.1	G149 E150	G149-A317 WeakPolarHBondContact O-CA 3.4Å; G149-A317 PolarHBondContact O-N 2.91Å; E150-A317 VanDerWaalsContact C-CB 3.48Å; E150-A317 WeakPolarHBondContact O-CB 3.24Å
318	H	76.2	Confident	93.4	Very high	61 Å²	61	52.1 Å²	52.1	28%	0.282	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-0.7	-168.4	-59.2	104.3	0	0	0	115	H207 D316	H207-H318 AromaticContact CD2-CD2 3.01Å; H207-H318 PolarHBondContact CD2-CD2 3.18Å; H207-H318 AromaticContact CD2-CG 3.62Å; H207-H318 AromaticContact CD2-NE2 3.35Å; H207-H318 PolarHBondContact CD2-NE2 3.11Å; H207-H318 AromaticContact CE1-CD2 3.35Å; H207-H318 PolarHBondContact CE1-CD2 3.09Å; H207-H318 AromaticContact CE1-CE1 2.96Å; H207-H318 PolarHBondContact CE1-CE1 2.87Å; H207-H318 AromaticContact CE1-CG 3.68Å; H207-H318 AromaticContact CE1-ND1 3.47Å; H207-H318 PolarHBondContact CE1-ND1 3.49Å; H207-H318 AromaticContact CE1-NE2 2.9Å; H207-H318 PolarHBondContact CE1-NE2 3.15Å; H207-H318 AromaticContact CG-CD2 3.58Å; H207-H318 AromaticContact CG-NE2 3.48Å; H207-H318 AromaticContact ND1-CD2 3.72Å; H207-H318 AromaticContact ND1-CE1 3.65Å; H207-H318 AromaticContact ND1-NE2 3.16Å; H207-H318 PolarHBondContact ND1-NE2 3.35Å; H207-H318 VanDerWaalsContact ND1-NE2 3.16Å; H207-H318 AromaticContact NE2-CD2 2.9Å; H207-H318 PolarHBondContact NE2-CD2 3.2Å; H207-H318 AromaticContact NE2-CE1 3.23Å; H207-H318 PolarHBondContact NE2-CE1 2.76Å; H207-H318 AromaticContact NE2-CG 3.08Å; H207-H318 AromaticContact NE2-ND1 3.29Å; H207-H318 PolarHBondContact NE2-ND1 3.12Å; H207-H318 AromaticContact NE2-NE2 3.03Å; H207-H318 PolarHBondContact NE2-NE2 3.45Å; D316-H318 PolarHBondContact O-N 3.36Å; D316-H318 VanDerWaalsContact O-N 3.13Å; D316-H318 PolarHBondContact OD1-N 2.81Å; D316-H318 VanDerWaalsContact OD1-N 3.14Å
319	F	89.4	Confident	93.4	Very high	15 Å²	15	48.2 Å²	48.2	7%	0.066	26%	0.259	C	S	.	.			trans	43.7	77	-170.2	-65.9	-70	0	0	0	109.9	Y259 A284 W285 I302 Y313 K314 A315 D316	Y259-F319 AromaticContact CE2-CZ 3.93Å; Y259-F319 HydrophobicContact CE2-CZ 3.93Å; Y259-F319 AromaticContact CZ-CZ 3.88Å; Y259-F319 WeakPolarHBondContact OH-CZ 3.41Å; A284-F319 HydrophobicContact CB-CD2 4.08Å; W285-F319 HydrophobicContact CZ2-CD1 4.21Å; W285-F319 HydrophobicContact CZ2-CD2 4.22Å; W285-F319 HydrophobicContact CZ2-CE1 4.04Å; W285-F319 HydrophobicContact CZ2-CE2 4.05Å; W285-F319 HydrophobicContact CZ2-CG 4.3Å; W285-F319 AromaticContact CZ2-CZ 3.95Å; W285-F319 HydrophobicContact CZ2-CZ 3.95Å; W285-F319 AromaticContact NE1-CD1 3.47Å; W285-F319 AromaticContact NE1-CG 3.5Å; I302-F319 HydrophobicContact CG2-CD1 3.73Å; I302-F319 HydrophobicContact CG2-CE1 3.93Å; Y313-F319 HydrophobicContact CD1-CB 4.25Å; Y313-F319 WeakPolarHBondContact CD1-O 3.27Å; K314-F319 VanDerWaalsContact O-CA 3.25Å; K314-F319 WeakPolarHBondContact O-CA 3.44Å; A315-F319 HydrophobicContact CB-CE1 4.05Å; D316-F319 PolarHBondContact OD1-N 3.45Å
320	T	92.4	Very high	93.4	Very high	67 Å²	67	49.6 Å²	49.6	41%	0.411	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89	122.7	-178.6	-55.3	0	0	0	0	110.3	Y313 K314 I322	Y313-T320 CarbonylContact C-O 3.55Å; Y313-T320 VanDerWaalsContact CA-O 3.3Å; Y313-T320 WeakPolarHBondContact CA-O 3.43Å; K314-T320 PolarHBondContact N-O 2.8Å; T320-I322 PolarHBondContact O-N 3.33Å
321	L	96.7	Very high	93.3	Very high	41 Å²	41	56.2 Å²	56.2	22%	0.215	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.6	129.5	176.3	-174.5	68.5	0	0	0	109.2	E287 Y311 Y313	E287-L321 HydrophobicContact CB-CD2 4.35Å; E287-L321 HydrophobicContact CG-CD2 3.81Å; Y311-L321 HydrophobicContact CD1-CD1 4.2Å; Y313-L321 VanDerWaalsContact CD1-CA 3.44Å; Y313-L321 HydrophobicContact CD1-CB 3.88Å; Y313-L321 HydrophobicContact CD1-CD1 4.32Å; Y313-L321 HydrophobicContact CD2-CD1 4.06Å; Y313-L321 HydrophobicContact CE1-CB 3.56Å; Y313-L321 HydrophobicContact CE1-CD1 4Å; Y313-L321 HydrophobicContact CE1-CG 4.35Å; Y313-L321 HydrophobicContact CE2-CD1 3.7Å; Y313-L321 HydrophobicContact CG-CD1 4.38Å
322	I	97.3	Very high	93.2	Very high	42 Å²	42	55.8 Å²	55.8	22%	0.215	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-69.8	135.4	176.1	-64.8	-177.1	0	0	0	109	K301 I312 K314 T320 G324 Y325	K301-I322 HydrophobicContact CD-CD1 3.78Å; K301-I322 HydrophobicContact CG-CD1 4.24Å; I312-I322 HydrophobicContact CB-CD1 4.23Å; I312-I322 HydrophobicContact CG2-CD1 3.61Å; I312-I322 HydrophobicContact CG2-CG1 4.35Å; I312-I322 PolarHBondContact O-N 3.31Å; K314-I322 HydrophobicContact CG-CD1 4.41Å; K314-I322 HydrophobicContact CG-CG1 4.1Å; T320-I322 PolarHBondContact O-N 3.33Å; I322-G324 PolarHBondContact O-N 3.04Å; I322-Y325 HydrophobicContact CB-CD2 3.71Å; I322-Y325 HydrophobicContact CB-CE2 4.03Å; I322-Y325 HydrophobicContact CG2-CD2 3.8Å; I322-Y325 HydrophobicContact CG2-CE2 3.76Å; I322-Y325 WeakPolarHBondContact O-CD2 3.36Å; I322-Y325 PolarHBondContact O-N 2.93Å
323	E	97.4	Very high	93.2	Very high	192 Å²	192	55.7 Å²	55.7	90%	0.897	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	134.5	177.4	-171.9	179.8	177.2	0	0	111.1
324	G	97.4	Very high	93.1	Very high	59 Å²	59	57.2 Å²	57.2	61%	0.608	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.3	1.6	-177.8	0	0	0	0	0	115.2	I322	I322-G324 PolarHBondContact O-N 3.04Å
325	Y	98.2	Very high	93.1	Very high	36 Å²	36	52.3 Å²	52.3	14%	0.141	29%	0.289	C	S	.	.			trans	-97.6	153.3	169.2	-72.5	-85.2	0	0	0	112	V310 I312 I322 K327 E332	V310-Y325 WeakPolarHBondContact O-CD1 3.48Å; I312-Y325 HydrophobicContact CB-CD1 4.27Å; I312-Y325 HydrophobicContact CB-CD2 4.22Å; I312-Y325 HydrophobicContact CB-CE1 4.25Å; I312-Y325 HydrophobicContact CB-CE2 4.16Å; I312-Y325 HydrophobicContact CB-CG 4.27Å; I312-Y325 HydrophobicContact CD1-CD1 4.18Å; I312-Y325 HydrophobicContact CD1-CE1 3.36Å; I312-Y325 HydrophobicContact CD1-CE2 3.86Å; I312-Y325 WeakPolarHBondContact CD1-OH 3.39Å; I312-Y325 HydrophobicContact CG1-CD1 3.82Å; I312-Y325 HydrophobicContact CG1-CD2 4.49Å; I312-Y325 HydrophobicContact CG1-CE1 3.5Å; I312-Y325 HydrophobicContact CG1-CE2 4.2Å; I312-Y325 HydrophobicContact CG1-CG 4.32Å; I322-Y325 HydrophobicContact CB-CD2 3.71Å; I322-Y325 HydrophobicContact CB-CE2 4.03Å; I322-Y325 HydrophobicContact CG2-CD2 3.8Å; I322-Y325 HydrophobicContact CG2-CE2 3.76Å; I322-Y325 WeakPolarHBondContact O-CD2 3.36Å; I322-Y325 PolarHBondContact O-N 2.93Å; Y325-K327 HydrophobicContact CD1-CB 4.21Å; Y325-K327 HydrophobicContact CD1-CD 4.44Å; Y325-K327 HydrophobicContact CD1-CG 3.96Å; Y325-K327 HydrophobicContact CE1-CB 4.1Å; Y325-K327 HydrophobicContact CE1-CD 3.8Å; Y325-K327 HydrophobicContact CE1-CG 3.82Å; Y325-K327 PolarHBondContact OH-NZ 3.15Å; Y325-E332 HydrophobicContact CE1-CG 4.09Å; Y325-E332 PolarHBondContact OH-OE1 3.37Å; Y325-E332 PolarHBondContact OH-OE2 2.94Å
326	P	97.9	Very high	93.3	Very high	50 Å²	50	57.7 Å²	57.7	33%	0.325	31%	0.311	S	S	.	.			cis	-75.5	153.5	3.6	31	-35.3	0	0	0	114.2	Q309 V310 Y311	Q309-P326 HydrophobicContact CB-CB 4.07Å; Q309-P326 HydrophobicContact CG-CB 4.47Å; V310-P326 WeakPolarHBondContact O-CA 3.45Å; V310-P326 WeakPolarHBondContact O-CB 3.36Å; Y311-P326 HydrophobicContact CD1-CB 3.86Å; Y311-P326 HydrophobicContact CD1-CG 4.22Å; Y311-P326 HydrophobicContact CD2-CB 4.22Å; Y311-P326 HydrophobicContact CE1-CB 3.75Å; Y311-P326 HydrophobicContact CE1-CG 3.7Å; Y311-P326 HydrophobicContact CE2-CB 4.11Å; Y311-P326 HydrophobicContact CG-CB 4.09Å
327	K	97.9	Very high	93.8	Very high	74 Å²	74	57.1 Å²	57.1	32%	0.322	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	167.6	168.1	-68.3	-174.7	-164.2	158.6	0	110.4	Q309 V310 Y325 E331 E332	Q309-K327 WeakPolarHBondContact CA-O 3.08Å; V310-K327 PolarHBondContact N-O 3.33Å; V310-K327 PolarHBondContact O-N 3.3Å; Y325-K327 HydrophobicContact CD1-CB 4.21Å; Y325-K327 HydrophobicContact CD1-CD 4.44Å; Y325-K327 HydrophobicContact CD1-CG 3.96Å; Y325-K327 HydrophobicContact CE1-CB 4.1Å; Y325-K327 HydrophobicContact CE1-CD 3.8Å; Y325-K327 HydrophobicContact CE1-CG 3.82Å; Y325-K327 PolarHBondContact OH-NZ 3.15Å; K327-E331 HydrophobicContact CB-CB 4.45Å; K327-E332 HydrophobicContact CB-CB 4.38Å; K327-E332 WeakPolarHBondContact CD-OE2 3.33Å; K327-E332 IonicContact NZ-OE2 3.91Å; K327-E332 PolarHBondContact NZ-OE2 2.84Å
328	T	97.9	Very high	94.9	Very high	44 Å²	44	60.4 Å²	60.4	27%	0.27	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	153.8	172.5	63.9	0	0	0	0	111.9	D308 K330 E331 E332	D308-T328 CarbonylContact O-C 3.53Å; D308-T328 WeakPolarHBondContact O-CA 3.07Å; T328-K330 PolarHBondContact O-N 3.45Å; T328-E331 PolarHBondContact N-OE2 2.92Å; T328-E331 PolarHBondContact O-N 2.72Å; T328-E331 VanDerWaalsContact OG1-CB 3.31Å; T328-E331 WeakPolarHBondContact OG1-CB 3.39Å; T328-E331 WeakPolarHBondContact OG1-CG 3.23Å; T328-E331 PolarHBondContact OG1-N 3.04Å; T328-E331 VanDerWaalsContact OG1-N 3.12Å; T328-E331 PolarHBondContact OG1-OE2 3.44Å; T328-E332 PolarHBondContact O-N 2.9Å
329	V	97.4	Very high	95.9	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-58.1	-37.7	173.9	169	0	0	0	0	110.6	I305 D308 V310 E332 L333 G334 I335 V339	I305-V329 HydrophobicContact CG2-CG2 3.86Å; D308-V329 PolarHBondContact O-N 2.9Å; D308-V329 PolarHBondContact OD1-N 3.34Å; V310-V329 HydrophobicContact CG2-CB 4.28Å; V310-V329 HydrophobicContact CG2-CG2 3.67Å; V329-E332 PolarHBondContact O-N 2.97Å; V329-L333 WeakPolarHBondContact O-CA 3.07Å; V329-L333 WeakPolarHBondContact O-CB 3.27Å; V329-L333 PolarHBondContact O-N 2.84Å; V329-G334 PolarHBondContact O-N 2.79Å; V329-I335 HydrophobicContact CG1-CD1 3.74Å; V329-I335 HydrophobicContact CG1-CG1 3.23Å; V329-V339 HydrophobicContact CG1-CG2 4.24Å
330	K	96.6	Very high	96.3	Very high	119 Å²	119	59.2 Å²	59.2	52%	0.517	33%	0.334	S	S	.	.	H	α-helix	trans	-64.9	-45.2	176.3	-176.7	174.5	-178.4	164.5	0	113	T328 E332 G334 I335 E336	T328-K330 PolarHBondContact O-N 3.45Å; K330-E332 VanDerWaalsContact C-N 3.34Å; K330-G334 VanDerWaalsContact O-CA 3.25Å; K330-G334 WeakPolarHBondContact O-CA 3.33Å; K330-G334 PolarHBondContact O-N 3.11Å; K330-I335 WeakPolarHBondContact CA-O 3.27Å; K330-I335 PolarHBondContact N-O 2.99Å; K330-E336 HydrophobicContact CD-CG 4.13Å; K330-E336 WeakPolarHBondContact CE-OE1 3.38Å; K330-E336 IonicContact NZ-OE1 2.71Å; K330-E336 PolarHBondContact NZ-OE1 2.86Å
331	E	96.6	Very high	96.6	Very high	138 Å²	138	56 Å²	56	65%	0.645	31%	0.314	S	S	*	.	H	α-helix	trans	-65.5	-38.5	178.7	-74.5	162.8	152.7	0	0	112	K327 T328	K327-E331 HydrophobicContact CB-CB 4.45Å; T328-E331 PolarHBondContact N-OE2 2.92Å; T328-E331 PolarHBondContact O-N 2.72Å; T328-E331 VanDerWaalsContact OG1-CB 3.31Å; T328-E331 WeakPolarHBondContact OG1-CB 3.39Å; T328-E331 WeakPolarHBondContact OG1-CG 3.23Å; T328-E331 PolarHBondContact OG1-N 3.04Å; T328-E331 VanDerWaalsContact OG1-N 3.12Å; T328-E331 PolarHBondContact OG1-OE2 3.44Å
332	E	97.1	Very high	96.7	Very high	16 Å²	16	54.2 Å²	54.2	8%	0.075	31%	0.305	C	S	.	.	H	α-helix	trans	-92.6	-31.6	-171.2	-171.4	54.1	-150.4	0	0	114.1	V310 I312 Y325 K327 T328 V329 K330 R369	V310-E332 HydrophobicContact CB-CB 4.27Å; V310-E332 HydrophobicContact CB-CG 4.29Å; V310-E332 HydrophobicContact CG1-CG 4Å; V310-E332 HydrophobicContact CG2-CB 4.22Å; I312-E332 HydrophobicContact CD1-CG 4.21Å; I312-E332 WeakPolarHBondContact CD1-OE1 3.22Å; Y325-E332 HydrophobicContact CE1-CG 4.09Å; Y325-E332 PolarHBondContact OH-OE1 3.37Å; Y325-E332 PolarHBondContact OH-OE2 2.94Å; K327-E332 HydrophobicContact CB-CB 4.38Å; K327-E332 WeakPolarHBondContact CD-OE2 3.33Å; K327-E332 IonicContact NZ-OE2 3.91Å; K327-E332 PolarHBondContact NZ-OE2 2.84Å; T328-E332 PolarHBondContact O-N 2.9Å; V329-E332 PolarHBondContact O-N 2.97Å; K330-E332 VanDerWaalsContact C-N 3.34Å; E332-R369 VanDerWaalsContact O-CD 3.31Å; E332-R369 WeakPolarHBondContact O-CD 3.35Å; E332-R369 PolarHBondContact O-NH1 3.35Å; E332-R369 IonicContact OE1-CZ 3.04Å; E332-R369 IonicContact OE1-NH1 2.9Å; E332-R369 PolarHBondContact OE1-NH1 3.17Å; E332-R369 IonicContact OE1-NH2 2.72Å
333	L	97.1	Very high	96.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-122.1	-8.2	-175.5	-60.7	177	0	0	0	113.6	F296 I305 V329 I335 I353 V362 L364	F296-L333 HydrophobicContact CE1-CD1 4.41Å; F296-L333 HydrophobicContact CZ-CD2 4.12Å; I305-L333 HydrophobicContact CD1-CD1 3.93Å; V329-L333 WeakPolarHBondContact O-CA 3.07Å; V329-L333 WeakPolarHBondContact O-CB 3.27Å; V329-L333 PolarHBondContact O-N 2.84Å; L333-I335 HydrophobicContact CB-CD1 4.28Å; L333-I335 HydrophobicContact CB-CG1 4.12Å; L333-I335 HydrophobicContact CD1-CD1 4.31Å; L333-I335 PolarHBondContact O-N 2.87Å; L333-I353 HydrophobicContact CD1-CD1 4.38Å; L333-V362 WeakPolarHBondContact O-CG1 3.1Å; L333-L364 HydrophobicContact CD2-CD2 4.35Å
334	G	95.4	Very high	96.8	Very high	35 Å²	35	44.1 Å²	44.1	36%	0.361	26%	0.258	S	S	.	.	S	Bend	trans	70.5	19.4	180	0	0	0	0	0	114.2	V329 K330	V329-G334 PolarHBondContact O-N 2.79Å; K330-G334 VanDerWaalsContact O-CA 3.25Å; K330-G334 WeakPolarHBondContact O-CA 3.33Å; K330-G334 PolarHBondContact O-N 3.11Å
335	I	94.6	Very high	96.8	Very high	2 Å²	2	41.7 Å²	41.7	1%	0.01	23%	0.231	C	C	.	.			trans	-117.4	156.2	179.9	71.4	-176.8	0	0	0	111.1	V329 K330 L333 V339 I353 V362 I371	V329-I335 HydrophobicContact CG1-CD1 3.74Å; V329-I335 HydrophobicContact CG1-CG1 3.23Å; K330-I335 WeakPolarHBondContact CA-O 3.27Å; K330-I335 PolarHBondContact N-O 2.99Å; L333-I335 HydrophobicContact CB-CD1 4.28Å; L333-I335 HydrophobicContact CB-CG1 4.12Å; L333-I335 HydrophobicContact CD1-CD1 4.31Å; L333-I335 PolarHBondContact O-N 2.87Å; I335-V339 HydrophobicContact CD1-CG2 3.92Å; I335-I353 HydrophobicContact CD1-CB 4.18Å; I335-I353 HydrophobicContact CD1-CG1 4.1Å; I335-I353 HydrophobicContact CD1-CG2 3.46Å; I335-I353 VanDerWaalsContact CD1-CG2 3.46Å; I335-V362 HydrophobicContact CG2-CG2 3.88Å; I335-I371 HydrophobicContact CG2-CD1 3.98Å; I335-I371 HydrophobicContact CG2-CG1 3.72Å
336	E	92.8	Very high	96.6	Very high	130 Å²	130	42.4 Å²	42.4	61%	0.607	24%	0.24	S	C	*	.			trans	-117.6	155.9	176.3	-65.2	-173.5	163.4	0	0	110.5	K330 Q355	K330-E336 HydrophobicContact CD-CG 4.13Å; K330-E336 WeakPolarHBondContact CE-OE1 3.38Å; K330-E336 IonicContact NZ-OE1 2.71Å; K330-E336 PolarHBondContact NZ-OE1 2.86Å; E336-Q355 PolarHBondContact O-NE2 3.01Å
337	G	91.9	Very high	96.3	Very high	50 Å²	50	48 Å²	48	52%	0.515	27%	0.268	S	S	.	.	S	Bend	trans	89.8	179.7	179.1	0	0	0	0	0	113.7
338	T	93.9	Very high	96.1	Very high	97 Å²	97	48 Å²	48	60%	0.595	27%	0.269	S	S	*	.			trans	-73.5	146.8	-179.4	54.2	0	0	0	0	111.1	Q355	T338-Q355 VanDerWaalsContact O-CG 3.26Å; T338-Q355 WeakPolarHBondContact O-CG 3.29Å; T338-Q355 PolarHBondContact O-NE2 3.41Å
339	V	97.9	Very high	96	Very high	2 Å²	2	49.4 Å²	49.4	1%	0.012	28%	0.275	C	S	.	.			trans	-106	122.6	175	179.5	0	0	0	0	108.1	A294 I305 V329 I335 I353	A294-V339 HydrophobicContact CB-CB 4.4Å; A294-V339 HydrophobicContact CB-CG1 3.56Å; I305-V339 HydrophobicContact CD1-CB 4.46Å; I305-V339 HydrophobicContact CD1-CG1 4.15Å; I305-V339 HydrophobicContact CD1-CG2 4.39Å; I305-V339 HydrophobicContact CG2-CB 4.2Å; I305-V339 HydrophobicContact CG2-CG2 4.31Å; V329-V339 HydrophobicContact CG1-CG2 4.24Å; I335-V339 HydrophobicContact CD1-CG2 3.92Å; V339-I353 HydrophobicContact CB-CG2 4.47Å; V339-I353 HydrophobicContact CG1-CG2 3.76Å; V339-I353 HydrophobicContact CG2-CG2 4.01Å
340	D	98.1	Very high	96.1	Very high	50 Å²	50	51.3 Å²	51.3	27%	0.267	28%	0.284	S	S	.	.			trans	-93.5	-31.7	-177	-56.7	-31.8	0	0	0	111.8	I354 G356	D340-I354 PolarHBondContact N-O 3.35Å; D340-G356 WeakPolarHBondContact OD2-CA 3.42Å; D340-G356 PolarHBondContact OD2-N 2.83Å
341	A	98.5	Very high	96.1	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.4	156.5	172.7	0	0	0	0	0	110.3	I354 I382	A341-I354 HydrophobicContact CB-CB 4.14Å; A341-I354 HydrophobicContact CB-CD1 4.24Å; A341-I354 PolarHBondContact N-O 2.9Å; A341-I354 PolarHBondContact O-N 2.9Å; A341-I382 HydrophobicContact CB-CG2 3.9Å
342	A	98.6	Very high	96.2	Very high	2 Å²	2	39.2 Å²	39.2	2%	0.017	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	150.9	173.3	0	0	0	0	0	109.5	A294 F296 H352 I353	A294-A342 HydrophobicContact CB-CB 3.96Å; F296-A342 HydrophobicContact CB-CB 4.35Å; F296-A342 HydrophobicContact CD1-CB 3.71Å; F296-A342 HydrophobicContact CG-CB 4.45Å; A342-H352 VanDerWaalsContact CA-O 3.29Å; A342-H352 WeakPolarHBondContact CA-O 3.16Å; A342-I353 HydrophobicContact CB-CD1 3.64Å
343	F	98.6	Very high	96.3	Very high	4 Å²	4	38.4 Å²	38.4	2%	0.018	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.4	158	168.3	61.3	-86.9	0	0	0	110.5	H352 I354 M359 C387 I392 L394 L409	F343-H352 HydrophobicContact CD1-CB 4.11Å; F343-H352 HydrophobicContact CD2-CB 4.05Å; F343-H352 AromaticContact CD2-CD2 3.71Å; F343-H352 HydrophobicContact CE1-CB 3.68Å; F343-H352 HydrophobicContact CE2-CB 3.64Å; F343-H352 AromaticContact CE2-CD2 3.26Å; F343-H352 WeakPolarHBondContact CE2-CD2 3.17Å; F343-H352 AromaticContact CE2-CG 3.61Å; F343-H352 HydrophobicContact CG-CB 4.28Å; F343-H352 HydrophobicContact CZ-CB 3.43Å; F343-H352 VanDerWaalsContact CZ-CB 3.43Å; F343-H352 AromaticContact CZ-CD2 3.91Å; F343-H352 AromaticContact CZ-CG 3.76Å; F343-H352 PolarHBondContact N-O 2.92Å; F343-H352 VanDerWaalsContact N-O 3.09Å; F343-H352 PolarHBondContact O-N 3.04Å; F343-I354 HydrophobicContact CE1-CD1 4.26Å; F343-M359 HydrophobicContact CZ-SD 4.27Å; F343-C387 HydrophobicContact CB-CB 4.36Å; F343-C387 HydrophobicContact CD2-CB 3.59Å; F343-C387 HydrophobicContact CE2-CB 4.3Å; F343-C387 HydrophobicContact CG-CB 4.31Å; F343-I392 HydrophobicContact CE1-CG2 4.25Å; F343-I392 HydrophobicContact CE2-CD1 3.67Å; F343-I392 HydrophobicContact CE2-CG1 3.9Å; F343-I392 HydrophobicContact CE2-CG2 4.16Å; F343-I392 HydrophobicContact CZ-CD1 3.87Å; F343-I392 HydrophobicContact CZ-CG1 4.35Å; F343-I392 HydrophobicContact CZ-CG2 3.99Å; F343-L394 HydrophobicContact CD1-CD2 4.34Å; F343-L394 HydrophobicContact CE1-CD2 3.93Å; F343-L409 HydrophobicContact CE1-CD2 4.36Å; F343-L409 HydrophobicContact CZ-CD2 3.91Å
344	V	98.4	Very high	96.3	Very high	19 Å²	19	38.4 Å²	38.4	12%	0.115	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	133.4	168.5	175.3	0	0	0	0	106.3	F296 Y298 A351 L364	F296-V344 HydrophobicContact CB-CG2 4.22Å; F296-V344 HydrophobicContact CD2-CG2 3.48Å; F296-V344 VanDerWaalsContact CD2-CG2 3.48Å; F296-V344 HydrophobicContact CE2-CG2 4.13Å; F296-V344 HydrophobicContact CG-CG2 4.1Å; Y298-V344 HydrophobicContact CD2-CG1 4.28Å; V344-A351 HydrophobicContact CG2-CB 3.99Å; V344-L364 HydrophobicContact CG2-CD1 3.88Å
345	C	97.4	Very high	96.4	Very high	7 Å²	7	37.9 Å²	37.9	5%	0.047	21%	0.214	C	C	.	.			trans	-83.1	151.2	175.8	-72.5	0	0	0	0	111.8	N347 E348 C387 P406	C345-N347 PolarHBondContact O-N 3.18Å; C345-E348 HydrophobicContact CB-CG 4.13Å; C345-E348 WeakPolarHBondContact O-CB 3.45Å; C345-E348 PolarHBondContact O-N 3.15Å; C345-E348 VanDerWaalsContact O-N 3.11Å; C345-C387 WeakPolarHBondContact CA-SG 3.42Å; C345-C387 HydrophobicContact CB-CB 3.96Å; C345-C387 WeakPolarHBondContact CB-SG 3.27Å; C345-C387 WeakPolarHBondContact SG-CB 3.41Å; C345-C387 CovalentContact SG-SG 2.04Å; C345-C387 PolarHBondContact SG-SG 2.84Å; C345-P406 HydrophobicContact CB-CG 4.5Å
346	P	94.5	Very high	96.5	Very high	51 Å²	51	39.4 Å²	39.4	33%	0.331	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	136.4	180	-26.8	34.6	0	0	0	112.6	E348 D389	P346-E348 PolarHBondContact O-N 3.09Å; P346-D389 WeakPolarHBondContact CG-OD1 3.1Å
347	N	89.9	Confident	96.6	Very high	167 Å²	167	37.7 Å²	37.7	89%	0.893	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.5	14.5	-179.5	-46.3	-71.1	0	0	0	115.4	C345	C345-N347 PolarHBondContact O-N 3.18Å
348	E	94.7	Very high	96.8	Very high	74 Å²	74	36.4 Å²	36.4	35%	0.346	21%	0.208	S	C	.	.			trans	-105.7	158	173.8	-59.7	-169	-173	0	0	111.7	C345 P346 H352	C345-E348 HydrophobicContact CB-CG 4.13Å; C345-E348 WeakPolarHBondContact O-CB 3.45Å; C345-E348 PolarHBondContact O-N 3.15Å; C345-E348 VanDerWaalsContact O-N 3.11Å; P346-E348 PolarHBondContact O-N 3.09Å; E348-H352 IonicContact OE2-NE2 3.53Å
349	N	96.8	Very high	97	Very high	75 Å²	75	31.8 Å²	31.8	40%	0.401	18%	0.18	S	C	.	.			trans	-112.2	17.9	175.6	-57.8	-68.8	0	0	0	112.5	Y298 L364 T365	Y298-N349 HydrophobicContact CE2-CB 4.25Å; Y298-N349 VanDerWaalsContact CE2-OD1 3.32Å; Y298-N349 WeakPolarHBondContact CE2-OD1 3.29Å; Y298-N349 PolarHBondContact OH-OD1 3.04Å; N349-L364 WeakPolarHBondContact O-CB 2.98Å; N349-L364 PolarHBondContact O-N 2.01Å; N349-T365 HydrophobicContact CB-CG2 3.63Å
350	I	97.8	Very high	96.9	Very high	39 Å²	39	35 Å²	35	20%	0.2	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	121.9	-177.8	-56.2	-56.3	0	0	0	108.5	D361 V362 D363	I350-D361 HydrophobicContact CG2-CB 3.54Å; I350-V362 WeakPolarHBondContact CA-O 3.28Å; I350-D363 HydrophobicContact CD1-CB 4.06Å
351	A	98.3	Very high	96.9	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	120.3	162.8	0	0	0	0	0	109.1	F296 V344 I353 V362 L364	F296-A351 HydrophobicContact CE2-CB 4.28Å; F296-A351 HydrophobicContact CZ-CB 4.24Å; V344-A351 HydrophobicContact CG2-CB 3.99Å; A351-I353 HydrophobicContact CB-CD1 4.1Å; A351-V362 HydrophobicContact CB-CB 4.39Å; A351-V362 PolarHBondContact N-O 3.16Å; A351-V362 PolarHBondContact O-N 2.89Å; A351-L364 HydrophobicContact CB-CD1 4.06Å; A351-L364 HydrophobicContact CB-CD2 3.8Å; A351-L364 HydrophobicContact CB-CG 4.02Å
352	H	98.4	Very high	96.9	Very high	3 Å²	3	33.1 Å²	33.1	1%	0.014	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	111	173	-59	-70.6	0	0	0	108.7	A342 F343 E348 M359 D361 P406	A342-H352 VanDerWaalsContact CA-O 3.29Å; A342-H352 WeakPolarHBondContact CA-O 3.16Å; F343-H352 HydrophobicContact CD1-CB 4.11Å; F343-H352 HydrophobicContact CD2-CB 4.05Å; F343-H352 AromaticContact CD2-CD2 3.71Å; F343-H352 HydrophobicContact CE1-CB 3.68Å; F343-H352 HydrophobicContact CE2-CB 3.64Å; F343-H352 AromaticContact CE2-CD2 3.26Å; F343-H352 WeakPolarHBondContact CE2-CD2 3.17Å; F343-H352 AromaticContact CE2-CG 3.61Å; F343-H352 HydrophobicContact CG-CB 4.28Å; F343-H352 HydrophobicContact CZ-CB 3.43Å; F343-H352 VanDerWaalsContact CZ-CB 3.43Å; F343-H352 AromaticContact CZ-CD2 3.91Å; F343-H352 AromaticContact CZ-CG 3.76Å; F343-H352 PolarHBondContact N-O 2.92Å; F343-H352 VanDerWaalsContact N-O 3.09Å; F343-H352 PolarHBondContact O-N 3.04Å; E348-H352 IonicContact OE2-NE2 3.53Å; H352-M359 HydrophobicContact CB-CG 4.18Å; H352-M359 HydrophobicContact CB-SD 4.04Å; H352-D361 IonicContact CE1-OD1 3.38Å; H352-D361 IonicContact CE1-OD2 3.3Å; H352-D361 IonicContact CG-OD1 3.05Å; H352-D361 IonicContact ND1-OD1 3.59Å; H352-D361 PolarHBondContact ND1-OD1 2.93Å; H352-D361 IonicContact ND1-OD2 3.74Å; H352-P406 WeakPolarHBondContact NE2-CG 3.41Å
353	I	98.4	Very high	96.8	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	121.1	-175.7	-53.6	-58	0	0	0	109.8	L333 I335 V339 A342 A351 Q355 M359 R360 V362	L333-I353 HydrophobicContact CD1-CD1 4.38Å; I335-I353 HydrophobicContact CD1-CB 4.18Å; I335-I353 HydrophobicContact CD1-CG1 4.1Å; I335-I353 HydrophobicContact CD1-CG2 3.46Å; I335-I353 VanDerWaalsContact CD1-CG2 3.46Å; V339-I353 HydrophobicContact CB-CG2 4.47Å; V339-I353 HydrophobicContact CG1-CG2 3.76Å; V339-I353 HydrophobicContact CG2-CG2 4.01Å; A342-I353 HydrophobicContact CB-CD1 3.64Å; A351-I353 HydrophobicContact CB-CD1 4.1Å; I353-Q355 HydrophobicContact CG2-CG 4.18Å; I353-M359 CarbonylContact O-C 3.57Å; I353-M359 WeakPolarHBondContact O-CA 3.41Å; I353-R360 HydrophobicContact CB-CB 4.47Å; I353-R360 PolarHBondContact N-O 3.03Å; I353-R360 PolarHBondContact O-N 2.96Å; I353-V362 HydrophobicContact CG1-CG2 4.03Å
354	I	98.3	Very high	96.8	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	126.8	178.6	-58.4	179.5	0	0	0	109.6	D340 A341 F343 S358 L377 I382 L394	D340-I354 PolarHBondContact N-O 3.35Å; A341-I354 HydrophobicContact CB-CB 4.14Å; A341-I354 HydrophobicContact CB-CD1 4.24Å; A341-I354 PolarHBondContact N-O 2.9Å; A341-I354 PolarHBondContact O-N 2.9Å; F343-I354 HydrophobicContact CE1-CD1 4.26Å; I354-S358 WeakPolarHBondContact CA-O 3.41Å; I354-L377 HydrophobicContact CD1-CD1 4.13Å; I354-L377 HydrophobicContact CG1-CD1 4.21Å; I354-L377 HydrophobicContact CG2-CD1 4.15Å; I354-I382 HydrophobicContact CD1-CB 4.47Å; I354-I382 HydrophobicContact CD1-CG1 4.5Å; I354-I382 HydrophobicContact CD1-CG2 4.09Å; I354-I382 HydrophobicContact CG2-CB 4.27Å; I354-I382 HydrophobicContact CG2-CG1 4.43Å; I354-L394 HydrophobicContact CD1-CD1 4.1Å; I354-L394 HydrophobicContact CD1-CD2 3.73Å
355	Q	97.1	Very high	96.6	Very high	24 Å²	24	38.7 Å²	38.7	11%	0.112	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	112.1	173.9	-55.7	-174.4	-68	0	0	109.4	E336 T338 I353 N357 S358	E336-Q355 PolarHBondContact O-NE2 3.01Å; T338-Q355 VanDerWaalsContact O-CG 3.26Å; T338-Q355 WeakPolarHBondContact O-CG 3.29Å; T338-Q355 PolarHBondContact O-NE2 3.41Å; I353-Q355 HydrophobicContact CG2-CG 4.18Å; Q355-N357 PolarHBondContact O-N 3.23Å; Q355-N357 VanDerWaalsContact O-N 3.11Å; Q355-S358 PolarHBondContact N-O 3.35Å; Q355-S358 PolarHBondContact O-N 3.13Å
356	G	96	Very high	96.5	Very high	34 Å²	34	39.5 Å²	39.5	35%	0.351	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.2	-107.7	-173	0	0	0	0	0	111.6	D340	D340-G356 WeakPolarHBondContact OD2-CA 3.42Å; D340-G356 PolarHBondContact OD2-N 2.83Å
357	N	95.2	Very high	96.4	Very high	93 Å²	93	43.8 Å²	43.8	50%	0.497	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	23.2	179.1	71.5	-21.6	0	0	0	112.5	Q355 L377 L379	Q355-N357 PolarHBondContact O-N 3.23Å; Q355-N357 VanDerWaalsContact O-N 3.11Å; N357-L377 PolarHBondContact O-N 3.29Å; N357-L379 WeakPolarHBondContact CA-O 3.29Å
358	S	96.1	Very high	96.4	Very high	23 Å²	23	40.9 Å²	40.9	16%	0.161	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	142.6	-179	-60.9	0	0	0	0	110.9	I354 Q355 F375	I354-S358 WeakPolarHBondContact CA-O 3.41Å; Q355-S358 PolarHBondContact N-O 3.35Å; Q355-S358 PolarHBondContact O-N 3.13Å; S358-F375 CarbonylContact C-O 3.5Å; S358-F375 VanDerWaalsContact CA-O 3.31Å; S358-F375 WeakPolarHBondContact CA-O 3.24Å
359	M	97.4	Very high	96.4	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.2	170.2	-174.7	178.8	80	0	0	109.2	F343 H352 I353 N374 F375 L377 L409 A410	F343-M359 HydrophobicContact CZ-SD 4.27Å; H352-M359 HydrophobicContact CB-CG 4.18Å; H352-M359 HydrophobicContact CB-SD 4.04Å; I353-M359 CarbonylContact O-C 3.57Å; I353-M359 WeakPolarHBondContact O-CA 3.41Å; M359-N374 CarbonylContact O-C 3.56Å; M359-N374 WeakPolarHBondContact O-CA 3.3Å; M359-N374 PolarHBondContact O-OD1 2.72Å; M359-F375 HydrophobicContact CB-CB 4.49Å; M359-F375 HydrophobicContact CE-CD2 3.66Å; M359-F375 HydrophobicContact CE-CE2 4.25Å; M359-F375 HydrophobicContact CE-CG 4.4Å; M359-F375 PolarHBondContact N-O 2.79Å; M359-F375 PolarHBondContact O-N 2.84Å; M359-L377 HydrophobicContact CB-CD1 4.02Å; M359-L377 HydrophobicContact CB-CD2 3.85Å; M359-L377 HydrophobicContact CB-CG 3.95Å; M359-L409 HydrophobicContact SD-CD2 3.71Å; M359-L409 HydrophobicContact SD-CG 4.21Å; M359-A410 HydrophobicContact CE-CB 3.81Å
360	R	97.2	Very high	96.1	Very high	68 Å²	68	39.2 Å²	39.2	26%	0.257	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	129.9	177.6	-58.4	-179.6	-170.8	-80.1	0.4	109.3	I353 I371	I353-R360 HydrophobicContact CB-CB 4.47Å; I353-R360 PolarHBondContact N-O 3.03Å; I353-R360 PolarHBondContact O-N 2.96Å; R360-I371 HydrophobicContact CB-CG2 4.33Å
361	D	97.8	Very high	95.9	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.064	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.9	177.6	-72.8	4.5	0	0	0	108.9	I350 H352 I371 S372 Q373	I350-D361 HydrophobicContact CG2-CB 3.54Å; H352-D361 IonicContact CE1-OD1 3.38Å; H352-D361 IonicContact CE1-OD2 3.3Å; H352-D361 IonicContact CG-OD1 3.05Å; H352-D361 IonicContact ND1-OD1 3.59Å; H352-D361 PolarHBondContact ND1-OD1 2.93Å; H352-D361 IonicContact ND1-OD2 3.74Å; D361-I371 CarbonylContact O-C 3.59Å; D361-I371 WeakPolarHBondContact O-CA 3.33Å; D361-S372 WeakPolarHBondContact CB-OG 3.27Å; D361-S372 PolarHBondContact O-N 3.47Å; D361-S372 PolarHBondContact O-OG 3.33Å; D361-Q373 HydrophobicContact CB-CB 4.15Å; D361-Q373 PolarHBondContact N-O 2.74Å
362	V	98.1	Very high	95.6	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	118.2	177.1	180	0	0	0	0	108.4	L333 I335 I350 A351 I353 L364 R369	L333-V362 WeakPolarHBondContact O-CG1 3.1Å; I335-V362 HydrophobicContact CG2-CG2 3.88Å; I350-V362 WeakPolarHBondContact CA-O 3.28Å; A351-V362 HydrophobicContact CB-CB 4.39Å; A351-V362 PolarHBondContact N-O 3.16Å; A351-V362 PolarHBondContact O-N 2.89Å; I353-V362 HydrophobicContact CG1-CG2 4.03Å; V362-L364 PolarHBondContact O-N 3.45Å; V362-R369 HydrophobicContact CG1-CB 3.92Å
363	D	97.1	Very high	95.4	Very high	47 Å²	47	48.4 Å²	48.4	25%	0.251	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	110.7	173.9	-177.7	-9.8	0	0	0	109.8	I350 T365 A366	I350-D363 HydrophobicContact CD1-CB 4.06Å; D363-T365 PolarHBondContact O-N 2.87Å; D363-T365 WeakPolarHBondContact OD1-CB 3.45Å; D363-T365 PolarHBondContact OD1-N 3.36Å; D363-T365 PolarHBondContact OD1-OG1 2.97Å; D363-T365 PolarHBondContact OD2-OG1 3.14Å; D363-A366 HydrophobicContact CB-CB 4.17Å; D363-A366 PolarHBondContact O-N 2.87Å
364	L	97	Very high	95.3	Very high	10 Å²	10	52.4 Å²	52.4	5%	0.052	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-14.9	-176.3	-63.2	177.9	0	0	0	113	F296 Y298 L333 V344 N349 A351 V362 R369	F296-L364 HydrophobicContact CE2-CD1 4.04Å; F296-L364 HydrophobicContact CE2-CD2 4.29Å; F296-L364 HydrophobicContact CZ-CD2 4.36Å; Y298-L364 HydrophobicContact CD1-CB 4.12Å; Y298-L364 HydrophobicContact CD1-CD1 3.63Å; Y298-L364 HydrophobicContact CD1-CG 4.48Å; Y298-L364 HydrophobicContact CD2-CD1 3.64Å; Y298-L364 HydrophobicContact CE1-CB 3.75Å; Y298-L364 HydrophobicContact CE1-CD1 4.06Å; Y298-L364 HydrophobicContact CE2-CB 4.44Å; Y298-L364 HydrophobicContact CE2-CD1 4.09Å; Y298-L364 HydrophobicContact CG-CD1 3.39Å; L333-L364 HydrophobicContact CD2-CD2 4.35Å; V344-L364 HydrophobicContact CG2-CD1 3.88Å; N349-L364 WeakPolarHBondContact O-CB 2.98Å; N349-L364 PolarHBondContact O-N 2.01Å; A351-L364 HydrophobicContact CB-CD1 4.06Å; A351-L364 HydrophobicContact CB-CD2 3.8Å; A351-L364 HydrophobicContact CB-CG 4.02Å; V362-L364 PolarHBondContact O-N 3.45Å; L364-R369 PolarHBondContact O-NE 2.92Å
365	T	95.8	Very high	95.1	Very high	84 Å²	84	54.6 Å²	54.6	52%	0.515	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-18.4	176.5	73.2	0	0	0	0	113.3	N349 D363	N349-T365 HydrophobicContact CB-CG2 3.63Å; D363-T365 PolarHBondContact O-N 2.87Å; D363-T365 WeakPolarHBondContact OD1-CB 3.45Å; D363-T365 PolarHBondContact OD1-N 3.36Å; D363-T365 PolarHBondContact OD1-OG1 2.97Å; D363-T365 PolarHBondContact OD2-OG1 3.14Å
366	A	95.3	Very high	95.1	Very high	24 Å²	24	58.1 Å²	58.1	20%	0.198	34%	0.337	C	S	.	.	S	Bend	trans	-73.8	146.3	-179	0	0	0	0	0	112.2	D363 P368 R369	D363-A366 HydrophobicContact CB-CB 4.17Å; D363-A366 PolarHBondContact O-N 2.87Å; A366-P368 CarbonylContact C-O 3.56Å; A366-P368 CarbonylContact O-C 3.58Å; A366-R369 VanDerWaalsContact O-CG 3.25Å; A366-R369 WeakPolarHBondContact O-CG 3.41Å; A366-R369 PolarHBondContact O-N 2.76Å
367	T	91.1	Very high	95	Very high	141 Å²	141	57.1 Å²	57.1	87%	0.865	32%	0.323	S	S	*	.	S	Bend	trans	-136.8	112.4	174.5	-59.1	0	0	0	0	110
368	P	91.7	Very high	94.8	Very high	106 Å²	106	54.9 Å²	54.9	69%	0.688	31%	0.314	S	S	*	.	S	Bend	cis	-64.5	155.1	-6.6	31	-35.6	0	0	0	111.4	A366	A366-P368 CarbonylContact C-O 3.56Å; A366-P368 CarbonylContact O-C 3.58Å
369	R	94.7	Very high	94.6	Very high	37 Å²	37	54.6 Å²	54.6	14%	0.14	31%	0.31	C	S	.	.			trans	-65.8	137.6	171.8	-69.5	-174.2	-175.3	147.7	-9.3	109.7	Y303 E332 V362 L364 A366	Y303-R369 PolarHBondContact OH-NH2 3.48Å; E332-R369 VanDerWaalsContact O-CD 3.31Å; E332-R369 WeakPolarHBondContact O-CD 3.35Å; E332-R369 PolarHBondContact O-NH1 3.35Å; E332-R369 IonicContact OE1-CZ 3.04Å; E332-R369 IonicContact OE1-NH1 2.9Å; E332-R369 PolarHBondContact OE1-NH1 3.17Å; E332-R369 IonicContact OE1-NH2 2.72Å; V362-R369 HydrophobicContact CG1-CB 3.92Å; L364-R369 PolarHBondContact O-NE 2.92Å; A366-R369 VanDerWaalsContact O-CG 3.25Å; A366-R369 WeakPolarHBondContact O-CG 3.41Å; A366-R369 PolarHBondContact O-N 2.76Å
370	V	88.6	Confident	94.5	Very high	78 Å²	78	56.7 Å²	56.7	47%	0.473	33%	0.325	S	S	.	.			trans	-137	153.5	-177.1	-66.7	0	0	0	0	110.1	S372	V370-S372 PolarHBondContact O-N 2.84Å
371	I	94	Very high	94.4	Very high	67 Å²	67	58.3 Å²	58.3	34%	0.344	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	116.4	171.3	-58.7	165.8	0	0	0	108	I335 R360 D361 Q373	I335-I371 HydrophobicContact CG2-CD1 3.98Å; I335-I371 HydrophobicContact CG2-CG1 3.72Å; R360-I371 HydrophobicContact CB-CG2 4.33Å; D361-I371 CarbonylContact O-C 3.59Å; D361-I371 WeakPolarHBondContact O-CA 3.33Å; I371-Q373 VanDerWaalsContact CG2-O 3.25Å; I371-Q373 WeakPolarHBondContact CG2-O 3.34Å
372	S	92.8	Very high	94.4	Very high	61 Å²	61	57.9 Å²	57.9	43%	0.427	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	-39.6	177	63.7	0	0	0	0	111.2	D361 V370	D361-S372 WeakPolarHBondContact CB-OG 3.27Å; D361-S372 PolarHBondContact O-N 3.47Å; D361-S372 PolarHBondContact O-OG 3.33Å; V370-S372 PolarHBondContact O-N 2.84Å
373	Q	93.9	Very high	94.4	Very high	107 Å²	107	59.1 Å²	59.1	50%	0.5	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	156.2	-177.8	-59	-177	-9	0	0	111.2	D361 I371 F375	D361-Q373 HydrophobicContact CB-CB 4.15Å; D361-Q373 PolarHBondContact N-O 2.74Å; I371-Q373 VanDerWaalsContact CG2-O 3.25Å; I371-Q373 WeakPolarHBondContact CG2-O 3.34Å; Q373-F375 HydrophobicContact CB-CD2 4.39Å; Q373-F375 HydrophobicContact CB-CE2 3.56Å; Q373-F375 HydrophobicContact CB-CZ 3.81Å; Q373-F375 HydrophobicContact CG-CZ 4.42Å
374	N	95.4	Very high	94.5	Very high	84 Å²	84	56.9 Å²	56.9	45%	0.449	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	129.7	176.8	-178.6	35.5	0	0	0	109.9	M359	M359-N374 CarbonylContact O-C 3.56Å; M359-N374 WeakPolarHBondContact O-CA 3.3Å; M359-N374 PolarHBondContact O-OD1 2.72Å
375	F	95.4	Very high	94.5	Very high	46 Å²	46	56.5 Å²	56.5	20%	0.202	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	129.1	-173	-59.9	-74.4	0	0	0	111	S358 M359 Q373 A410	S358-F375 CarbonylContact C-O 3.5Å; S358-F375 VanDerWaalsContact CA-O 3.31Å; S358-F375 WeakPolarHBondContact CA-O 3.24Å; M359-F375 HydrophobicContact CB-CB 4.49Å; M359-F375 HydrophobicContact CE-CD2 3.66Å; M359-F375 HydrophobicContact CE-CE2 4.25Å; M359-F375 HydrophobicContact CE-CG 4.4Å; M359-F375 PolarHBondContact N-O 2.79Å; M359-F375 PolarHBondContact O-N 2.84Å; Q373-F375 HydrophobicContact CB-CD2 4.39Å; Q373-F375 HydrophobicContact CB-CE2 3.56Å; Q373-F375 HydrophobicContact CB-CZ 3.81Å; Q373-F375 HydrophobicContact CG-CZ 4.42Å; F375-A410 HydrophobicContact CB-CB 4.19Å; F375-A410 HydrophobicContact CD1-CB 3.82Å; F375-A410 HydrophobicContact CD2-CB 3.87Å; F375-A410 HydrophobicContact CE1-CB 4.06Å; F375-A410 HydrophobicContact CE2-CB 4.09Å; F375-A410 HydrophobicContact CG-CB 3.69Å; F375-A410 HydrophobicContact CZ-CB 4.15Å
376	P	95.8	Very high	94.6	Very high	97 Å²	97	52.7 Å²	52.7	63%	0.63	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.3	134	165.7	30.5	-32.3	0	0	0	109.3
377	L	95.2	Very high	94.7	Very high	13 Å²	13	52 Å²	52	7%	0.068	30%	0.3	C	S	.	.			trans	-96.5	149.3	175.6	-65.3	-176.1	0	0	0	111.1	I354 N357 M359 L379 L409	I354-L377 HydrophobicContact CD1-CD1 4.13Å; I354-L377 HydrophobicContact CG1-CD1 4.21Å; I354-L377 HydrophobicContact CG2-CD1 4.15Å; N357-L377 PolarHBondContact O-N 3.29Å; M359-L377 HydrophobicContact CB-CD1 4.02Å; M359-L377 HydrophobicContact CB-CD2 3.85Å; M359-L377 HydrophobicContact CB-CG 3.95Å; L377-L379 PolarHBondContact O-N 2.75Å; L377-L409 HydrophobicContact CD2-CD1 3.81Å; L377-L409 HydrophobicContact CD2-CG 3.93Å
378	P	90.8	Very high	94.8	Very high	46 Å²	46	46 Å²	46	30%	0.299	27%	0.265	S	S	.	.	S	Bend	trans	-74.3	-3.1	171.5	33	-35.7	0	0	0	112.7
379	L	92.6	Very high	94.8	Very high	17 Å²	17	48.3 Å²	48.3	9%	0.089	27%	0.272	C	S	.	.			trans	-121.9	149.1	-178.5	-66.8	172.4	0	0	0	110.2	N357 L377 I382 Y401 Y403 A415	N357-L379 WeakPolarHBondContact CA-O 3.29Å; L377-L379 PolarHBondContact O-N 2.75Å; L379-I382 HydrophobicContact CB-CD1 3.92Å; L379-I382 HydrophobicContact CB-CG1 4.46Å; L379-I382 HydrophobicContact CD1-CD1 4.14Å; L379-Y401 HydrophobicContact CD1-CD1 3.96Å; L379-Y401 HydrophobicContact CD1-CD2 3.77Å; L379-Y401 HydrophobicContact CD1-CE1 4.34Å; L379-Y401 HydrophobicContact CD1-CE2 4.21Å; L379-Y401 HydrophobicContact CD1-CG 3.65Å; L379-Y401 HydrophobicContact CD2-CD1 4.44Å; L379-Y401 HydrophobicContact CD2-CE1 4.01Å; L379-Y401 HydrophobicContact CD2-CE2 4.21Å; L379-Y403 HydrophobicContact CD1-CE2 4.33Å; L379-Y403 WeakPolarHBondContact CD1-OH 3.38Å; L379-A415 HydrophobicContact CD1-CB 4.1Å; L379-A415 HydrophobicContact CD2-CB 3.44Å; L379-A415 VanDerWaalsContact CD2-CB 3.44Å; L379-A415 HydrophobicContact CG-CB 3.76Å
380	S	94.4	Very high	94.7	Very high	45 Å²	45	50.1 Å²	50.1	32%	0.315	28%	0.284	S	S	.	.			trans	-127.6	170.6	168.4	62.6	0	0	0	0	109.6	I382 K396	S380-I382 VanDerWaalsContact C-N 3.29Å; S380-I382 PolarHBondContact O-N 3.41Å; S380-K396 PolarHBondContact O-NZ 2.82Å
381	D	95	Very high	95.1	Very high	103 Å²	103	46.8 Å²	46.8	55%	0.551	27%	0.265	S	S	*	.			trans	57.9	43.4	175.1	-34.7	-69.9	0	0	0	111.6	K396	D381-K396 WeakPolarHBondContact O-CG 3.46Å; D381-K396 IonicContact OD2-NZ 3.35Å; D381-K396 PolarHBondContact OD2-NZ 2.94Å
382	I	97.8	Very high	95.2	Very high	3 Å²	3	43.6 Å²	43.6	2%	0.015	25%	0.249	C	C	.	.			trans	-76	129.7	171.7	-60.5	-53.6	0	0	0	107.6	A341 I354 L379 S380 A384 L394 K396	A341-I382 HydrophobicContact CB-CG2 3.9Å; I354-I382 HydrophobicContact CD1-CB 4.47Å; I354-I382 HydrophobicContact CD1-CG1 4.5Å; I354-I382 HydrophobicContact CD1-CG2 4.09Å; I354-I382 HydrophobicContact CG2-CB 4.27Å; I354-I382 HydrophobicContact CG2-CG1 4.43Å; L379-I382 HydrophobicContact CB-CD1 3.92Å; L379-I382 HydrophobicContact CB-CG1 4.46Å; L379-I382 HydrophobicContact CD1-CD1 4.14Å; S380-I382 VanDerWaalsContact C-N 3.29Å; S380-I382 PolarHBondContact O-N 3.41Å; I382-A384 WeakPolarHBondContact CG2-O 3.14Å; I382-L394 HydrophobicContact CD1-CB 4.2Å; I382-L394 HydrophobicContact CD1-CD1 4.46Å; I382-L394 HydrophobicContact CG1-CD1 4.48Å; I382-L394 HydrophobicContact CG2-CB 4.19Å; I382-L394 HydrophobicContact CG2-CD2 4.41Å; I382-K396 HydrophobicContact CD1-CB 4.45Å
383	D	97.9	Very high	95.5	Very high	26 Å²	26	43 Å²	43	14%	0.139	24%	0.238	C	C	.	.			trans	-95.8	-24.2	-177.4	-58.8	-59.8	0	0	0	113	K246 L247 N248 F395 G397	K246-D383 WeakPolarHBondContact CE-OD1 3.34Å; K246-D383 WeakPolarHBondContact CE-OD2 3.39Å; K246-D383 IonicContact NZ-OD1 2.68Å; K246-D383 PolarHBondContact NZ-OD1 2.9Å; K246-D383 IonicContact NZ-OD2 3.1Å; L247-D383 VanDerWaalsContact O-CB 3.24Å; L247-D383 WeakPolarHBondContact O-CB 3.09Å; N248-D383 CarbonylContact C-O 3.21Å; D383-F395 PolarHBondContact N-O 3.42Å; D383-G397 PolarHBondContact OD2-N 2.87Å
384	A	98.4	Very high	95.7	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	153.2	175	0	0	0	0	0	111.4	L247 A250 I382 F395	L247-A384 HydrophobicContact CB-CB 4.26Å; A250-A384 HydrophobicContact CB-CB 4.4Å; I382-A384 WeakPolarHBondContact CG2-O 3.14Å; A384-F395 HydrophobicContact CB-CB 4.12Å; A384-F395 HydrophobicContact CB-CD2 4.03Å; A384-F395 HydrophobicContact CB-CG 4.42Å; A384-F395 PolarHBondContact N-O 2.03Å; A384-F395 PolarHBondContact O-N 2.81Å
385	G	98	Very high	95.8	Very high	1 Å²	1	34 Å²	34	1%	0.01	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	140.9	170.7	0	0	0	0	0	109.7	A250	A250-G385 VanDerWaalsContact O-O 3.04Å
386	L	98.2	Very high	95.9	Very high	4 Å²	4	34.9 Å²	34.9	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	129.5	172.8	176.6	66.7	0	0	0	108.1	A250 T251 T258 F260 I392 R393 F395	A250-L386 HydrophobicContact CB-CB 4Å; A250-L386 HydrophobicContact CB-CD1 4.44Å; T251-L386 VanDerWaalsContact C-CD1 3.5Å; T258-L386 HydrophobicContact CG2-CD2 4.44Å; F260-L386 HydrophobicContact CE1-CD2 4.05Å; L386-I392 CarbonylContact O-C 3.52Å; L386-I392 WeakPolarHBondContact O-CA 3.38Å; L386-R393 PolarHBondContact N-O 3.46Å; L386-R393 PolarHBondContact O-N 3.25Å; L386-F395 HydrophobicContact CB-CE2 4.02Å
387	C	97.6	Very high	95.9	Very high	11 Å²	11	31.5 Å²	31.5	7%	0.074	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	127	169.3	-166.1	0	0	0	0	109.7	F343 C345 G391 I392	F343-C387 HydrophobicContact CB-CB 4.36Å; F343-C387 HydrophobicContact CD2-CB 3.59Å; F343-C387 HydrophobicContact CE2-CB 4.3Å; F343-C387 HydrophobicContact CG-CB 4.31Å; C345-C387 WeakPolarHBondContact CA-SG 3.42Å; C345-C387 HydrophobicContact CB-CB 3.96Å; C345-C387 WeakPolarHBondContact CB-SG 3.27Å; C345-C387 WeakPolarHBondContact SG-CB 3.41Å; C345-C387 CovalentContact SG-SG 2.04Å; C345-C387 PolarHBondContact SG-SG 2.84Å; C387-G391 WeakPolarHBondContact CA-O 3.18Å; C387-I392 HydrophobicContact CB-CG1 4.1Å; C387-I392 VanDerWaalsContact SG-CG1 3.59Å
388	G	93.5	Very high	96	Very high	13 Å²	13	32.6 Å²	32.6	13%	0.134	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	-171.8	173.3	0	0	0	0	0	110.7	D390 G391	G388-D390 PolarHBondContact O-N 3.11Å; G388-G391 PolarHBondContact N-O 3.02Å; G388-G391 PolarHBondContact O-N 2.96Å
389	D	90.7	Very high	96.3	Very high	155 Å²	155	33.8 Å²	33.8	83%	0.829	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-22.8	177.4	-63.4	-40.9	0	0	0	112.6	P346 G391	P346-D389 WeakPolarHBondContact CG-OD1 3.1Å; D389-G391 VanDerWaalsContact C-N 3.34Å
390	D	92.6	Very high	96.5	Very high	76 Å²	76	34.5 Å²	34.5	41%	0.406	19%	0.192	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.2	0.7	175.6	66.2	-31.8	0	0	0	113.3	G388 R393 Y402	G388-D390 PolarHBondContact O-N 3.11Å; D390-R393 IonicContact OD1-CZ 3.85Å; D390-R393 IonicContact OD1-NH1 2.75Å; D390-R393 IonicContact OD1-NH2 3.76Å; D390-R393 PolarHBondContact OD1-NH2 2.76Å; D390-R393 IonicContact OD2-CZ 3.88Å; D390-R393 IonicContact OD2-NH1 3.37Å; D390-R393 PolarHBondContact OD2-NH1 2.91Å; D390-R393 IonicContact OD2-NH2 3.08Å; D390-R393 PolarHBondContact OD2-NH2 2.83Å; D390-Y402 WeakPolarHBondContact O-CE2 3.17Å; D390-Y402 VanDerWaalsContact O-CZ 3.24Å; D390-Y402 PolarHBondContact O-OH 2.85Å
391	G	96.2	Very high	96.7	Very high	7 Å²	7	34 Å²	34	7%	0.072	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	106.7	-156.9	180	0	0	0	0	0	113.4	C387 G388 D389	C387-G391 WeakPolarHBondContact CA-O 3.18Å; G388-G391 PolarHBondContact N-O 3.02Å; G388-G391 PolarHBondContact O-N 2.96Å; D389-G391 VanDerWaalsContact C-N 3.34Å
392	I	97.8	Very high	96.8	Very high	0 Å²	0	34.3 Å²	34.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	131.6	-169	-54.3	162.9	0	0	0	110.7	F343 L386 C387 L394 Y402 Y403 S405 P406 L409	F343-I392 HydrophobicContact CE1-CG2 4.25Å; F343-I392 HydrophobicContact CE2-CD1 3.67Å; F343-I392 HydrophobicContact CE2-CG1 3.9Å; F343-I392 HydrophobicContact CE2-CG2 4.16Å; F343-I392 HydrophobicContact CZ-CD1 3.87Å; F343-I392 HydrophobicContact CZ-CG1 4.35Å; F343-I392 HydrophobicContact CZ-CG2 3.99Å; L386-I392 CarbonylContact O-C 3.52Å; L386-I392 WeakPolarHBondContact O-CA 3.38Å; C387-I392 HydrophobicContact CB-CG1 4.1Å; C387-I392 VanDerWaalsContact SG-CG1 3.59Å; I392-L394 HydrophobicContact CG2-CD2 3.78Å; I392-L394 HydrophobicContact CG2-CG 4.07Å; I392-Y402 CarbonylContact O-C 3.58Å; I392-Y402 WeakPolarHBondContact O-CA 3.28Å; I392-Y403 PolarHBondContact N-O 2.85Å; I392-Y403 PolarHBondContact O-N 2.9Å; I392-S405 VanDerWaalsContact CD1-C 3.5Å; I392-P406 HydrophobicContact CD1-CB 4.26Å; I392-P406 HydrophobicContact CD1-CG 3.93Å; I392-P406 VanDerWaalsContact CD1-N 3.35Å; I392-L409 HydrophobicContact CD1-CB 4.49Å; I392-L409 HydrophobicContact CD1-CD2 4.2Å
393	R	98	Very high	96.8	Very high	49 Å²	49	34.6 Å²	34.6	19%	0.185	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	117.8	164.9	-71.1	174.5	-83.8	-106.5	-14.5	109.2	L386 D390 F395 F400 Y401	L386-R393 PolarHBondContact N-O 3.46Å; L386-R393 PolarHBondContact O-N 3.25Å; D390-R393 IonicContact OD1-CZ 3.85Å; D390-R393 IonicContact OD1-NH1 2.75Å; D390-R393 IonicContact OD1-NH2 3.76Å; D390-R393 PolarHBondContact OD1-NH2 2.76Å; D390-R393 IonicContact OD2-CZ 3.88Å; D390-R393 IonicContact OD2-NH1 3.37Å; D390-R393 PolarHBondContact OD2-NH1 2.91Å; D390-R393 IonicContact OD2-NH2 3.08Å; D390-R393 PolarHBondContact OD2-NH2 2.83Å; R393-F395 HydrophobicContact CB-CE2 3.8Å; R393-F395 HydrophobicContact CB-CZ 3.98Å; R393-F400 HydrophobicContact CB-CD2 4.22Å; R393-F400 HydrophobicContact CG-CD2 3.82Å; R393-F400 HydrophobicContact CG-CE2 4.08Å; R393-Y401 WeakPolarHBondContact CA-O 3.47Å
394	L	98.1	Very high	96.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	113.9	169.2	-62.1	-171.4	0	0	0	109.6	F343 I354 I382 I392 F400 Y401 Y403 L409	F343-L394 HydrophobicContact CD1-CD2 4.34Å; F343-L394 HydrophobicContact CE1-CD2 3.93Å; I354-L394 HydrophobicContact CD1-CD1 4.1Å; I354-L394 HydrophobicContact CD1-CD2 3.73Å; I382-L394 HydrophobicContact CD1-CB 4.2Å; I382-L394 HydrophobicContact CD1-CD1 4.46Å; I382-L394 HydrophobicContact CG1-CD1 4.48Å; I382-L394 HydrophobicContact CG2-CB 4.19Å; I382-L394 HydrophobicContact CG2-CD2 4.41Å; I392-L394 HydrophobicContact CG2-CD2 3.78Å; I392-L394 HydrophobicContact CG2-CG 4.07Å; L394-F400 CarbonylContact O-C 3.56Å; L394-F400 WeakPolarHBondContact O-CA 3.5Å; L394-Y401 PolarHBondContact N-O 3.07Å; L394-Y401 PolarHBondContact O-N 3.47Å; L394-Y403 HydrophobicContact CD1-CD2 4.43Å; L394-Y403 HydrophobicContact CD1-CE2 4.05Å; L394-Y403 HydrophobicContact CG-CD2 4.45Å; L394-Y403 HydrophobicContact CG-CE2 4.41Å; L394-L409 HydrophobicContact CD1-CD1 3.66Å; L394-L409 HydrophobicContact CD1-CD2 3.9Å; L394-L409 HydrophobicContact CD1-CG 4.46Å; L394-L409 HydrophobicContact CG-CD2 4.48Å
395	F	98.3	Very high	96.6	Very high	1 Å²	1	41.8 Å²	41.8	0%	0.004	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	137.9	-177.5	-62.8	-91.1	0	0	0	111.1	L247 A250 F260 D383 A384 L386 R393 F400 I421 L425	L247-F395 HydrophobicContact CD1-CD1 3.83Å; L247-F395 HydrophobicContact CD1-CD2 4.31Å; L247-F395 HydrophobicContact CD1-CE1 3.97Å; L247-F395 HydrophobicContact CD1-CE2 4.44Å; L247-F395 HydrophobicContact CD1-CG 4Å; L247-F395 HydrophobicContact CD1-CZ 4.28Å; A250-F395 HydrophobicContact CB-CE2 4.33Å; F260-F395 HydrophobicContact CZ-CZ 4.41Å; D383-F395 PolarHBondContact N-O 3.42Å; A384-F395 HydrophobicContact CB-CB 4.12Å; A384-F395 HydrophobicContact CB-CD2 4.03Å; A384-F395 HydrophobicContact CB-CG 4.42Å; A384-F395 PolarHBondContact N-O 2.03Å; A384-F395 PolarHBondContact O-N 2.81Å; L386-F395 HydrophobicContact CB-CE2 4.02Å; R393-F395 HydrophobicContact CB-CE2 3.8Å; R393-F395 HydrophobicContact CB-CZ 3.98Å; F395-F400 HydrophobicContact CD1-CB 3.67Å; F395-F400 HydrophobicContact CD1-CG 4.43Å; F395-F400 HydrophobicContact CE1-CB 3.91Å; F395-F400 HydrophobicContact CE1-CD1 4.27Å; F395-F400 HydrophobicContact CE1-CG 4.23Å; F395-F400 HydrophobicContact CG-CB 4.16Å; F395-I421 HydrophobicContact CD1-CD1 4.11Å; F395-I421 HydrophobicContact CD1-CG1 4.46Å; F395-L425 HydrophobicContact CE1-CD2 4.06Å
396	K	97.4	Very high	96.5	Very high	66 Å²	66	42.5 Å²	42.5	29%	0.287	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	107.9	175.2	176.6	167.5	-175.3	161.2	0	109.1	S380 D381 I382 S398 Q399 Y401	S380-K396 PolarHBondContact O-NZ 2.82Å; D381-K396 WeakPolarHBondContact O-CG 3.46Å; D381-K396 IonicContact OD2-NZ 3.35Å; D381-K396 PolarHBondContact OD2-NZ 2.94Å; I382-K396 HydrophobicContact CD1-CB 4.45Å; K396-S398 PolarHBondContact O-N 2.85Å; K396-Q399 CarbonylContact C-O 3.57Å; K396-Q399 PolarHBondContact N-O 2.79Å; K396-Q399 PolarHBondContact O-N 3.49Å; K396-Y401 HydrophobicContact CB-CE2 4.13Å; K396-Y401 HydrophobicContact CD-CE2 4.43Å
397	G	95.8	Very high	96.3	Very high	25 Å²	25	51.2 Å²	51.2	26%	0.258	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.6	-130.1	-170.9	0	0	0	0	0	111.3	V245 D383 Q399	V245-G397 CarbonylContact O-C 3.58Å; D383-G397 PolarHBondContact OD2-N 2.87Å; G397-Q399 VanDerWaalsContact C-N 3.26Å; G397-Q399 PolarHBondContact O-N 3.1Å
398	S	96.6	Very high	96.2	Very high	36 Å²	36	54.4 Å²	54.4	25%	0.252	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.1	15.6	178.4	45.8	0	0	0	0	114	C242 S243 V245 K396 I421	C242-S398 VanDerWaalsContact O-CB 3.26Å; C242-S398 WeakPolarHBondContact O-CB 3.5Å; S243-S398 WeakPolarHBondContact O-CB 3.16Å; S243-S398 PolarHBondContact O-OG 3.37Å; V245-S398 WeakPolarHBondContact O-CA 3.21Å; V245-S398 PolarHBondContact O-N 2.81Å; K396-S398 PolarHBondContact O-N 2.85Å; S398-I421 WeakPolarHBondContact O-CB 3.41Å; S398-I421 WeakPolarHBondContact O-CG1 3.2Å; S398-I421 PolarHBondContact O-N 3.49Å
399	Q	97.5	Very high	96.3	Very high	71 Å²	71	53.9 Å²	53.9	33%	0.332	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	165.2	179.5	-56	-169.4	-56.1	0	0	111.6	K396 G397 A418 S419 D420	K396-Q399 CarbonylContact C-O 3.57Å; K396-Q399 PolarHBondContact N-O 2.79Å; K396-Q399 PolarHBondContact O-N 3.49Å; G397-Q399 VanDerWaalsContact C-N 3.26Å; G397-Q399 PolarHBondContact O-N 3.1Å; Q399-A418 HydrophobicContact CB-CB 4.05Å; Q399-S419 CarbonylContact C-O 3.47Å; Q399-S419 WeakPolarHBondContact CA-O 3.34Å; Q399-S419 WeakPolarHBondContact CB-O 3.38Å; Q399-D420 WeakPolarHBondContact CG-OD1 3.41Å; Q399-D420 PolarHBondContact NE2-OD1 2.69Å
400	F	97.6	Very high	96.4	Very high	32 Å²	32	47.1 Å²	47.1	14%	0.14	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	153.5	171.1	66.5	-86.7	0	0	0	112.3	R393 L394 F395 A418 S419 D420 I421 L425	R393-F400 HydrophobicContact CB-CD2 4.22Å; R393-F400 HydrophobicContact CG-CD2 3.82Å; R393-F400 HydrophobicContact CG-CE2 4.08Å; L394-F400 CarbonylContact O-C 3.56Å; L394-F400 WeakPolarHBondContact O-CA 3.5Å; F395-F400 HydrophobicContact CD1-CB 3.67Å; F395-F400 HydrophobicContact CD1-CG 4.43Å; F395-F400 HydrophobicContact CE1-CB 3.91Å; F395-F400 HydrophobicContact CE1-CD1 4.27Å; F395-F400 HydrophobicContact CE1-CG 4.23Å; F395-F400 HydrophobicContact CG-CB 4.16Å; F400-A418 WeakPolarHBondContact O-CA 3.48Å; F400-S419 WeakPolarHBondContact CD1-O 3.23Å; F400-S419 PolarHBondContact N-O 2.87Å; F400-S419 PolarHBondContact O-N 3.18Å; F400-D420 WeakPolarHBondContact CE1-O 3.33Å; F400-I421 HydrophobicContact CD1-CG1 4.29Å; F400-L425 HydrophobicContact CD1-CD2 4.48Å; F400-L425 HydrophobicContact CE1-CD2 4.27Å
401	Y	97.9	Very high	96.4	Very high	35 Å²	35	49.6 Å²	49.6	14%	0.137	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	129.8	176.4	-61.8	-96	0	0	0	109	L379 R393 L394 K396 A415 P416 A418	L379-Y401 HydrophobicContact CD1-CD1 3.96Å; L379-Y401 HydrophobicContact CD1-CD2 3.77Å; L379-Y401 HydrophobicContact CD1-CE1 4.34Å; L379-Y401 HydrophobicContact CD1-CE2 4.21Å; L379-Y401 HydrophobicContact CD1-CG 3.65Å; L379-Y401 HydrophobicContact CD2-CD1 4.44Å; L379-Y401 HydrophobicContact CD2-CE1 4.01Å; L379-Y401 HydrophobicContact CD2-CE2 4.21Å; R393-Y401 WeakPolarHBondContact CA-O 3.47Å; L394-Y401 PolarHBondContact N-O 3.07Å; L394-Y401 PolarHBondContact O-N 3.47Å; K396-Y401 HydrophobicContact CB-CE2 4.13Å; K396-Y401 HydrophobicContact CD-CE2 4.43Å; Y401-A415 HydrophobicContact CD1-CB 4.11Å; Y401-A415 HydrophobicContact CE1-CB 4Å; Y401-P416 HydrophobicContact CD1-CG 4.15Å; Y401-P416 VanDerWaalsContact CD1-O 3.27Å; Y401-P416 WeakPolarHBondContact CD1-O 3.48Å; Y401-P416 WeakPolarHBondContact CE1-O 3.42Å; Y401-A418 HydrophobicContact CD1-CB 4.18Å; Y401-A418 HydrophobicContact CE1-CB 3.73Å; Y401-A418 HydrophobicContact CE2-CB 4.24Å
402	Y	97.7	Very high	96.1	Very high	109 Å²	109	50.5 Å²	50.5	43%	0.427	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	132.6	180	174.8	-91.8	0	0	0	111.7	D390 I392 E404 P416	D390-Y402 WeakPolarHBondContact O-CE2 3.17Å; D390-Y402 VanDerWaalsContact O-CZ 3.24Å; D390-Y402 PolarHBondContact O-OH 2.85Å; I392-Y402 CarbonylContact O-C 3.58Å; I392-Y402 WeakPolarHBondContact O-CA 3.28Å; Y402-E404 HydrophobicContact CE1-CB 4.49Å; Y402-P416 WeakPolarHBondContact O-CG 3.28Å
403	Y	97.6	Very high	95.7	Very high	9 Å²	9	61.7 Å²	61.7	4%	0.035	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	132.9	173.4	-63.7	-96.7	0	0	0	109.9	L379 I392 L394 S405 I408 L409 P416	L379-Y403 HydrophobicContact CD1-CE2 4.33Å; L379-Y403 WeakPolarHBondContact CD1-OH 3.38Å; I392-Y403 PolarHBondContact N-O 2.85Å; I392-Y403 PolarHBondContact O-N 2.9Å; L394-Y403 HydrophobicContact CD1-CD2 4.43Å; L394-Y403 HydrophobicContact CD1-CE2 4.05Å; L394-Y403 HydrophobicContact CG-CD2 4.45Å; L394-Y403 HydrophobicContact CG-CE2 4.41Å; Y403-S405 VanDerWaalsContact C-N 3.3Å; Y403-S405 PolarHBondContact O-N 2.8Å; Y403-I408 HydrophobicContact CD1-CG2 4.28Å; Y403-L409 HydrophobicContact CD1-CB 3.82Å; Y403-L409 HydrophobicContact CD1-CD1 3.97Å; Y403-L409 HydrophobicContact CD2-CD1 3.92Å; Y403-L409 HydrophobicContact CE1-CB 4.3Å; Y403-L409 HydrophobicContact CE1-CD1 3.69Å; Y403-L409 HydrophobicContact CE2-CD1 3.64Å; Y403-L409 HydrophobicContact CG-CB 3.93Å; Y403-L409 HydrophobicContact CG-CD1 4.07Å; Y403-L409 VanDerWaalsContact CZ-CD1 3.5Å; Y403-P416 HydrophobicContact CE1-CG 4.22Å; Y403-P416 HydrophobicContact CE2-CG 4.12Å; Y403-P416 VanDerWaalsContact CZ-CD 3.4Å; Y403-P416 VanDerWaalsContact OH-CD 3.24Å; Y403-P416 WeakPolarHBondContact OH-CD 3.5Å
404	E	96.4	Very high	95.4	Very high	140 Å²	140	66.3 Å²	66.3	65%	0.654	32%	0.316	S	S	*	.	S	Bend	trans	-69.3	-25.8	-177.5	177.4	-175.2	-169.9	0	0	113.2	Y402 I408	Y402-E404 HydrophobicContact CE1-CB 4.49Å; E404-I408 HydrophobicContact CB-CD1 3.83Å; E404-I408 HydrophobicContact CG-CD1 4.3Å; E404-I408 WeakPolarHBondContact OE2-CD1 3.05Å
405	S	95.8	Very high	95.1	Very high	37 Å²	37	67.8 Å²	67.8	26%	0.259	33%	0.329	S	S	.	.	S	Bend	trans	-157.5	161	177.3	62.8	0	0	0	0	112.7	I392 Y403 R407 I408 L409	I392-S405 VanDerWaalsContact CD1-C 3.5Å; Y403-S405 VanDerWaalsContact C-N 3.3Å; Y403-S405 PolarHBondContact O-N 2.8Å; S405-R407 PolarHBondContact O-N 2.79Å; S405-I408 PolarHBondContact O-N 3.19Å; S405-I408 VanDerWaalsContact O-N 3.09Å; S405-I408 WeakPolarHBondContact OG-CG1 3.19Å; S405-I408 PolarHBondContact OG-N 3.04Å; S405-L409 PolarHBondContact O-N 3.08Å; S405-L409 VanDerWaalsContact O-N 3.12Å
406	P	95.3	Very high	94.9	Very high	17 Å²	17	70 Å²	70	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-55.8	-35.2	174.3	-25.2	32.2	0	0	0	112.7	C345 H352 I392 L409 A410	C345-P406 HydrophobicContact CB-CG 4.5Å; H352-P406 WeakPolarHBondContact NE2-CG 3.41Å; I392-P406 HydrophobicContact CD1-CB 4.26Å; I392-P406 HydrophobicContact CD1-CG 3.93Å; I392-P406 VanDerWaalsContact CD1-N 3.35Å; P406-L409 WeakPolarHBondContact O-CB 3.01Å; P406-L409 PolarHBondContact O-N 2.93Å; P406-A410 VanDerWaalsContact O-CB 3.28Å; P406-A410 WeakPolarHBondContact O-CB 3.45Å; P406-A410 PolarHBondContact O-N 3.32Å
407	R	94	Very high	94.9	Very high	186 Å²	186	73.2 Å²	73.2	70%	0.702	37%	0.368	S	S	*	.	H	α-helix	trans	-64	-42.1	177.8	-175	177.7	177.7	161.4	0.9	112.5	S405 A410 M411	S405-R407 PolarHBondContact O-N 2.79Å; R407-A410 PolarHBondContact O-N 2.74Å; R407-M411 HydrophobicContact CG-CG 4.41Å; R407-M411 HydrophobicContact CG-SD 3.85Å; R407-M411 WeakPolarHBondContact O-CB 3.34Å; R407-M411 WeakPolarHBondContact O-CG 3.05Å; R407-M411 PolarHBondContact O-N 3.33Å
408	I	95	Very high	94.9	Very high	79 Å²	79	73.1 Å²	73.1	41%	0.405	37%	0.365	S	S	.	.	H	α-helix	trans	-67.6	-40.7	178.3	-69.9	168.1	0	0	0	110.1	Y403 E404 S405 G412	Y403-I408 HydrophobicContact CD1-CG2 4.28Å; E404-I408 HydrophobicContact CB-CD1 3.83Å; E404-I408 HydrophobicContact CG-CD1 4.3Å; E404-I408 WeakPolarHBondContact OE2-CD1 3.05Å; S405-I408 PolarHBondContact O-N 3.19Å; S405-I408 VanDerWaalsContact O-N 3.09Å; S405-I408 WeakPolarHBondContact OG-CG1 3.19Å; S405-I408 PolarHBondContact OG-N 3.04Å; I408-G412 WeakPolarHBondContact O-CA 3.46Å; I408-G412 PolarHBondContact O-N 2.66Å
409	L	95.9	Very high	95	Very high	1 Å²	1	74.1 Å²	74.1	1%	0.005	37%	0.372	C	S	.	.	H	α-helix	trans	-59.1	-50.2	172.7	173.1	59.4	0	0	0	111.7	F343 M359 L377 I392 L394 Y403 S405 P406 M411 G412	F343-L409 HydrophobicContact CE1-CD2 4.36Å; F343-L409 HydrophobicContact CZ-CD2 3.91Å; M359-L409 HydrophobicContact SD-CD2 3.71Å; M359-L409 HydrophobicContact SD-CG 4.21Å; L377-L409 HydrophobicContact CD2-CD1 3.81Å; L377-L409 HydrophobicContact CD2-CG 3.93Å; I392-L409 HydrophobicContact CD1-CB 4.49Å; I392-L409 HydrophobicContact CD1-CD2 4.2Å; L394-L409 HydrophobicContact CD1-CD1 3.66Å; L394-L409 HydrophobicContact CD1-CD2 3.9Å; L394-L409 HydrophobicContact CD1-CG 4.46Å; L394-L409 HydrophobicContact CG-CD2 4.48Å; Y403-L409 HydrophobicContact CD1-CB 3.82Å; Y403-L409 HydrophobicContact CD1-CD1 3.97Å; Y403-L409 HydrophobicContact CD2-CD1 3.92Å; Y403-L409 HydrophobicContact CE1-CB 4.3Å; Y403-L409 HydrophobicContact CE1-CD1 3.69Å; Y403-L409 HydrophobicContact CE2-CD1 3.64Å; Y403-L409 HydrophobicContact CG-CB 3.93Å; Y403-L409 HydrophobicContact CG-CD1 4.07Å; Y403-L409 VanDerWaalsContact CZ-CD1 3.5Å; S405-L409 PolarHBondContact O-N 3.08Å; S405-L409 VanDerWaalsContact O-N 3.12Å; P406-L409 WeakPolarHBondContact O-CB 3.01Å; P406-L409 PolarHBondContact O-N 2.93Å; L409-M411 PolarHBondContact O-N 2.84Å; L409-G412 PolarHBondContact O-N 2.98Å
410	A	93.8	Very high	95	Very high	13 Å²	13	75.7 Å²	75.7	11%	0.107	38%	0.382	C	S	.	.	H	α-helix	trans	-65	-35.5	-177.3	0	0	0	0	0	114.1	M359 F375 P406 R407	M359-A410 HydrophobicContact CE-CB 3.81Å; F375-A410 HydrophobicContact CB-CB 4.19Å; F375-A410 HydrophobicContact CD1-CB 3.82Å; F375-A410 HydrophobicContact CD2-CB 3.87Å; F375-A410 HydrophobicContact CE1-CB 4.06Å; F375-A410 HydrophobicContact CE2-CB 4.09Å; F375-A410 HydrophobicContact CG-CB 3.69Å; F375-A410 HydrophobicContact CZ-CB 4.15Å; P406-A410 VanDerWaalsContact O-CB 3.28Å; P406-A410 WeakPolarHBondContact O-CB 3.45Å; P406-A410 PolarHBondContact O-N 3.32Å; R407-A410 PolarHBondContact O-N 2.74Å
411	M	91.9	Very high	94.9	Very high	129 Å²	129	74.4 Å²	74.4	64%	0.635	38%	0.377	S	S	*	.	H	α-helix	trans	-94.5	-9.2	-177.3	-61.4	-175	76.5	0	0	113.2	R407 L409	R407-M411 HydrophobicContact CG-CG 4.41Å; R407-M411 HydrophobicContact CG-SD 3.85Å; R407-M411 WeakPolarHBondContact O-CB 3.34Å; R407-M411 WeakPolarHBondContact O-CG 3.05Å; R407-M411 PolarHBondContact O-N 3.33Å; L409-M411 PolarHBondContact O-N 2.84Å
412	G	90.3	Very high	94.8	Very high	25 Å²	25	75.6 Å²	75.6	26%	0.258	39%	0.388	S	S	.	.			trans	-67.1	129.2	-178	0	0	0	0	0	112.3	I408 L409	I408-G412 WeakPolarHBondContact O-CA 3.46Å; I408-G412 PolarHBondContact O-N 2.66Å; L409-G412 PolarHBondContact O-N 2.98Å
413	R	89.6	Confident	94.6	Very high	236 Å²	236	72.4 Å²	72.4	89%	0.891	38%	0.382	S	S	*	.	S	Bend	trans	-97.4	-16.3	174.8	-64.8	-173.2	-179.8	-173.9	-0.3	113.9
414	I	90.3	Very high	94.3	Very high	145 Å²	145	75.7 Å²	75.7	74%	0.744	41%	0.411	S	S	*	.	S	Bend	trans	-131.9	131.7	-176.9	-57.3	176.4	0	0	0	106.2
415	A	91.8	Very high	94.1	Very high	31 Å²	31	71 Å²	71	26%	0.256	39%	0.39	S	S	.	.	P	Polyproline II helix	trans	-67.1	141.8	174	0	0	0	0	0	110.3	L379 Y401	L379-A415 HydrophobicContact CD1-CB 4.1Å; L379-A415 HydrophobicContact CD2-CB 3.44Å; L379-A415 VanDerWaalsContact CD2-CB 3.44Å; L379-A415 HydrophobicContact CG-CB 3.76Å; Y401-A415 HydrophobicContact CD1-CB 4.11Å; Y401-A415 HydrophobicContact CE1-CB 4Å
416	P	95.1	Very high	93.7	Very high	47 Å²	47	69.6 Å²	69.6	31%	0.305	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-64.1	170.5	171.5	29.6	-32.8	0	0	0	110.3	Y401 Y402 Y403 A418	Y401-P416 HydrophobicContact CD1-CG 4.15Å; Y401-P416 VanDerWaalsContact CD1-O 3.27Å; Y401-P416 WeakPolarHBondContact CD1-O 3.48Å; Y401-P416 WeakPolarHBondContact CE1-O 3.42Å; Y402-P416 WeakPolarHBondContact O-CG 3.28Å; Y403-P416 HydrophobicContact CE1-CG 4.22Å; Y403-P416 HydrophobicContact CE2-CG 4.12Å; Y403-P416 VanDerWaalsContact CZ-CD 3.4Å; Y403-P416 VanDerWaalsContact OH-CD 3.24Å; Y403-P416 WeakPolarHBondContact OH-CD 3.5Å; P416-A418 PolarHBondContact O-N 3.33Å
417	V	96.5	Very high	93.5	Very high	135 Å²	135	70.7 Å²	70.7	82%	0.818	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-64.3	131.5	171.9	-179.8	0	0	0	0	108.4
418	A	97.3	Very high	93.4	Very high	23 Å²	23	62.4 Å²	62.4	19%	0.19	37%	0.365	C	S	.	.	P	Polyproline II helix	trans	-71.7	143.4	176.8	0	0	0	0	0	110.6	Q399 F400 Y401 P416	Q399-A418 HydrophobicContact CB-CB 4.05Å; F400-A418 WeakPolarHBondContact O-CA 3.48Å; Y401-A418 HydrophobicContact CD1-CB 4.18Å; Y401-A418 HydrophobicContact CE1-CB 3.73Å; Y401-A418 HydrophobicContact CE2-CB 4.24Å; P416-A418 PolarHBondContact O-N 3.33Å
419	S	97.6	Very high	93.3	Very high	57 Å²	57	63.8 Å²	63.8	40%	0.399	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	143.4	170.6	-66.1	0	0	0	0	109.5	Q399 F400	Q399-S419 CarbonylContact C-O 3.47Å; Q399-S419 WeakPolarHBondContact CA-O 3.34Å; Q399-S419 WeakPolarHBondContact CB-O 3.38Å; F400-S419 WeakPolarHBondContact CD1-O 3.23Å; F400-S419 PolarHBondContact N-O 2.87Å; F400-S419 PolarHBondContact O-N 3.18Å
420	D	97.5	Very high	92.9	Very high	103 Å²	103	70.9 Å²	70.9	55%	0.551	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.3	146.6	175.9	-61.7	-37.5	0	0	0	111	Q399 F400	Q399-D420 WeakPolarHBondContact CG-OD1 3.41Å; Q399-D420 PolarHBondContact NE2-OD1 2.69Å; F400-D420 WeakPolarHBondContact CE1-O 3.33Å
421	I	95.8	Very high	92.9	Very high	5 Å²	5	73.8 Å²	73.8	3%	0.026	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-66.5	135.7	164	-68.3	178.9	0	0	0	108	C242 V245 F395 S398 F400 L425 M426	C242-I421 WeakPolarHBondContact CB-O 3.48Å; V245-I421 HydrophobicContact CB-CD1 4.13Å; V245-I421 HydrophobicContact CB-CG2 4.31Å; V245-I421 HydrophobicContact CG1-CD1 3.51Å; V245-I421 HydrophobicContact CG1-CG2 4.28Å; V245-I421 HydrophobicContact CG2-CG2 4.25Å; F395-I421 HydrophobicContact CD1-CD1 4.11Å; F395-I421 HydrophobicContact CD1-CG1 4.46Å; S398-I421 WeakPolarHBondContact O-CB 3.41Å; S398-I421 WeakPolarHBondContact O-CG1 3.2Å; S398-I421 PolarHBondContact O-N 3.49Å; F400-I421 HydrophobicContact CD1-CG1 4.29Å; I421-L425 HydrophobicContact CG1-CD2 4.34Å; I421-L425 HydrophobicContact CG2-CD2 4.36Å; I421-M426 HydrophobicContact CG2-CG 3.93Å; I421-M426 HydrophobicContact CG2-SD 3.31Å; I421-M426 WeakPolarHBondContact CG2-SD 3.5Å
422	T	95.2	Very high	92.9	Very high	60 Å²	60	70.8 Å²	70.8	37%	0.368	41%	0.411	S	S	.	.			trans	-121	162.1	-175.2	59.7	0	0	0	0	111.7	C242 A424 L425 C428	C242-T422 VanDerWaalsContact SG-C 3.57Å; T422-A424 PolarHBondContact O-N 2.8Å; T422-L425 WeakPolarHBondContact O-CB 3.43Å; T422-L425 PolarHBondContact O-N 2.71Å; T422-C428 PolarHBondContact O-SG 2.9Å
423	S	93.4	Very high	93.1	Very high	43 Å²	43	73.4 Å²	73.4	30%	0.301	42%	0.419	S	S	.	.	H	α-helix	trans	-52.2	-35.5	171.1	57.2	0	0	0	0	112.9	C242 L425 G427 C428 D430	C242-S423 PolarHBondContact SG-N 3.07Å; S423-L425 VanDerWaalsContact C-N 3.29Å; S423-L425 PolarHBondContact O-N 3Å; S423-G427 VanDerWaalsContact O-CA 3.27Å; S423-G427 WeakPolarHBondContact O-CA 3.17Å; S423-G427 PolarHBondContact O-N 3.11Å; S423-C428 WeakPolarHBondContact CA-O 3.44Å; S423-C428 WeakPolarHBondContact CB-O 3.49Å; S423-D430 VanDerWaalsContact CB-OD2 3.29Å; S423-D430 WeakPolarHBondContact CB-OD2 3.41Å; S423-D430 PolarHBondContact N-OD1 2.95Å; S423-D430 PolarHBondContact OG-OD1 2.84Å; S423-D430 PolarHBondContact OG-OD2 2.66Å
424	A	92	Very high	93.3	Very high	78 Å²	78	63.8 Å²	63.8	65%	0.645	39%	0.392	S	S	*	.	H	α-helix	trans	-64.4	-30.9	176.8	0	0	0	0	0	113.5	T422	T422-A424 PolarHBondContact O-N 2.8Å
425	L	91	Very high	93.5	Very high	40 Å²	40	58.8 Å²	58.8	21%	0.209	37%	0.37	C	S	.	.	H	α-helix	trans	-79.3	-32.1	-175.7	-175	58.8	0	0	0	112.7	F260 F395 F400 I421 T422 S423	F260-L425 HydrophobicContact CE2-CD1 4.09Å; F260-L425 HydrophobicContact CE2-CG 3.97Å; F260-L425 HydrophobicContact CZ-CD1 4.01Å; F260-L425 HydrophobicContact CZ-CG 4.34Å; F395-L425 HydrophobicContact CE1-CD2 4.06Å; F400-L425 HydrophobicContact CD1-CD2 4.48Å; F400-L425 HydrophobicContact CE1-CD2 4.27Å; I421-L425 HydrophobicContact CG1-CD2 4.34Å; I421-L425 HydrophobicContact CG2-CD2 4.36Å; T422-L425 WeakPolarHBondContact O-CB 3.43Å; T422-L425 PolarHBondContact O-N 2.71Å; S423-L425 VanDerWaalsContact C-N 3.29Å; S423-L425 PolarHBondContact O-N 3Å
426	M	89.3	Confident	93.6	Very high	8 Å²	8	60.6 Å²	60.6	4%	0.039	38%	0.377	C	S	.	.	H	α-helix	trans	-153	10.5	-171.3	66.6	-176	-67.3	0	0	116.3	L240 V245 L247 F260 M267 I421 C428	L240-M426 HydrophobicContact CD2-CE 4.26Å; V245-M426 HydrophobicContact CB-CE 4.17Å; V245-M426 HydrophobicContact CB-SD 3.94Å; V245-M426 HydrophobicContact CG1-CE 3.54Å; V245-M426 HydrophobicContact CG1-SD 3.4Å; V245-M426 WeakPolarHBondContact CG1-SD 3.09Å; V245-M426 HydrophobicContact CG2-CE 3.52Å; V245-M426 HydrophobicContact CG2-SD 3.37Å; V245-M426 WeakPolarHBondContact CG2-SD 3.31Å; L247-M426 HydrophobicContact CD2-CE 4.22Å; F260-M426 HydrophobicContact CD2-CB 4.36Å; F260-M426 HydrophobicContact CE2-CB 4.47Å; M267-M426 HydrophobicContact CE-CB 4.1Å; M267-M426 HydrophobicContact CE-CE 3.57Å; I421-M426 HydrophobicContact CG2-CG 3.93Å; I421-M426 HydrophobicContact CG2-SD 3.31Å; I421-M426 WeakPolarHBondContact CG2-SD 3.5Å; M426-C428 VanDerWaalsContact C-N 3.31Å; M426-C428 HydrophobicContact CG-CB 4.14Å; M426-C428 VanDerWaalsContact CG-SG 3.57Å; M426-C428 PolarHBondContact O-N 3.24Å
427	G	89.3	Confident	93.5	Very high	41 Å²	41	61.6 Å²	61.6	42%	0.423	38%	0.382	S	S	.	.	S	Bend	trans	70.6	22.1	176.6	0	0	0	0	0	115	S423	S423-G427 VanDerWaalsContact O-CA 3.27Å; S423-G427 WeakPolarHBondContact O-CA 3.17Å; S423-G427 PolarHBondContact O-N 3.11Å
428	C	92.4	Very high	93.2	Very high	12 Å²	12	55.9 Å²	55.9	8%	0.081	35%	0.349	C	S	.	.			trans	-76	168.2	171.2	54.1	0	0	0	0	111.7	L240 C242 V245 T422 S423 M426	L240-C428 CarbonylContact O-C 3.6Å; L240-C428 WeakPolarHBondContact O-CA 3.36Å; L240-C428 VanDerWaalsContact O-CB 3.28Å; L240-C428 WeakPolarHBondContact O-CB 3.45Å; C242-C428 WeakPolarHBondContact CA-SG 3.43Å; C242-C428 HydrophobicContact CB-CB 3.99Å; C242-C428 WeakPolarHBondContact CB-SG 3.46Å; C242-C428 WeakPolarHBondContact SG-CB 3.36Å; C242-C428 CovalentContact SG-SG 2.03Å; C242-C428 PolarHBondContact SG-SG 3.04Å; V245-C428 HydrophobicContact CG2-CB 4.2Å; T422-C428 PolarHBondContact O-SG 2.9Å; S423-C428 WeakPolarHBondContact CA-O 3.44Å; S423-C428 WeakPolarHBondContact CB-O 3.49Å; M426-C428 VanDerWaalsContact C-N 3.31Å; M426-C428 HydrophobicContact CG-CB 4.14Å; M426-C428 VanDerWaalsContact CG-SG 3.57Å; M426-C428 PolarHBondContact O-N 3.24Å
429	E	92.6	Very high	92.9	Very high	107 Å²	107	58.7 Å²	58.7	50%	0.5	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-91.3	125.5	174.1	-169.7	178.9	-174	0	0	110	P239 L240 K241 C242	P239-E429 HydrophobicContact CB-CB 4.37Å; P239-E429 WeakPolarHBondContact CB-OE2 3.43Å; L240-E429 PolarHBondContact O-N 2.76Å; K241-E429 CarbonylContact C-O 3.55Å; K241-E429 VanDerWaalsContact CA-O 3.25Å; K241-E429 WeakPolarHBondContact CA-O 3.43Å; C242-E429 PolarHBondContact N-O 2.94Å; C242-E429 PolarHBondContact SG-O 3.37Å
430	D	88.8	Confident	92.5	Very high	150 Å²	150	58.8 Å²	58.8	80%	0.802	36%	0.359	S	S	*	.			trans	-68.1	0	-177.2	-65.1	-49	0	0	0	113.8	C242 S423	C242-D430 PolarHBondContact SG-OD1 3.46Å; S423-D430 VanDerWaalsContact CB-OD2 3.29Å; S423-D430 WeakPolarHBondContact CB-OD2 3.41Å; S423-D430 PolarHBondContact N-OD1 2.95Å; S423-D430 PolarHBondContact OG-OD1 2.84Å; S423-D430 PolarHBondContact OG-OD2 2.66Å

Retrieved 430 of 430 residues in 747.1 ms (Link to these results)

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