A0A087YR82_POEFO Loading...

Leucine rich repeat neuronal 1

AlphaFold DB , UniProt , Accession A0A087YR82, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 715 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31	Very low	27	Very low	243 Å²	243	148.5 Å²	148.5	100%	1.197	78%	0.78	S	S	*	*				0	130.9	0	-96.7	174	172.5	0	0	108.6
2	A	29.8	Very low	27.4	Very low	101 Å²	101	147.2 Å²	147.2	84%	0.835	78%	0.782	S	S	*	*			trans	52.3	105.6	167.5	0	0	0	0	0	117.2
3	R	24.6	Very low	27.7	Very low	212 Å²	212	146.7 Å²	146.7	80%	0.8	79%	0.787	S	S	*	*			cis	71	116.4	42.4	-119.9	-170.3	174.8	-160.5	2.1	114
4	W	27.1	Very low	27.6	Very low	171 Å²	171	141.6 Å²	141.6	65%	0.648	79%	0.787	S	S	*	*			trans	78.4	151.8	147.5	-65.3	122.5	0	0	0	118.9
5	K	26.3	Very low	27.6	Very low	134 Å²	134	137 Å²	137	58%	0.583	78%	0.784	S	S	*	*			cis	172.4	150.1	-4.2	-175.4	178.6	-156.7	162.3	0	107.9
6	M	25.5	Very low	27.9	Very low	128 Å²	128	138.6 Å²	138.6	63%	0.631	79%	0.788	S	S	*	*			trans	45.2	134.5	148.7	-68.3	158.9	71.7	0	0	122.4
7	D	26.8	Very low	28.2	Very low	163 Å²	163	137.4 Å²	137.4	87%	0.872	78%	0.784	S	S	*	*				-151.4	124.3	115.5	-85.1	-31.7	0	0	0	105.9
8	S	27.5	Very low	28.3	Very low	85 Å²	85	137.7 Å²	137.7	59%	0.594	78%	0.782	S	S	*	*			cis	78	126.8	36.7	-85.1	0	0	0	0	117.7
9	C	24.6	Very low	28.6	Very low	129 Å²	129	138.8 Å²	138.8	87%	0.872	79%	0.791	S	S	*	*			trans	103.8	135.3	157.8	-80.2	0	0	0	0	118.4
10	A	26.5	Very low	28.8	Very low	83 Å²	83	136.1 Å²	136.1	69%	0.686	78%	0.782	S	S	*	*			cis	-179.4	170.7	-14.6	0	0	0	0	0	108.7
11	Q	26.9	Very low	29.2	Very low	184 Å²	184	135.5 Å²	135.5	86%	0.86	78%	0.78	S	S	*	*			trans	94.4	97.4	176.5	-56.6	-171.6	-15.8	0	0	114.2
12	V	32.2	Very low	29.4	Very low	133 Å²	133	128.3 Å²	128.3	81%	0.806	76%	0.759	S	S	*	*			cis	64.4	126.2	41.2	-151.5	0	0	0	0	111
13	V	30.9	Very low	29.5	Very low	141 Å²	141	132.2 Å²	132.2	86%	0.855	77%	0.765	S	S	*	*			cis	-162.4	151.7	37	179.3	0	0	0	0	110
14	G	26.5	Very low	29.9	Very low	76 Å²	76	125.8 Å²	125.8	78%	0.784	75%	0.753	S	S	*	*			trans	151.5	82.2	141.7	0	0	0	0	0	121.1
15	G	27.3	Very low	30.3	Very low	72 Å²	72	123.3 Å²	123.3	74%	0.742	75%	0.751	S	S	*	*			trans	104.8	94.5	135.4	0	0	0	0	0	122.2
16	L	33.7	Very low	30.7	Very low	162 Å²	162	123.9 Å²	123.9	85%	0.848	77%	0.766	S	S	*	*				42.8	114.3	127.8	-70.1	159.8	0	0	0	120.1
17	V	31.7	Very low	31.4	Very low	119 Å²	119	124 Å²	124	72%	0.721	77%	0.765	S	S	*	*				102.1	137.7	74.2	153.8	0	0	0	0	113.2
18	L	30.4	Very low	32.2	Very low	143 Å²	143	119.6 Å²	119.6	75%	0.749	75%	0.747	S	S	*	*			trans	91.8	90.9	173.3	-62.9	164.3	0	0	0	118.2
19	V	33.9	Very low	33.4	Very low	158 Å²	158	122 Å²	122	96%	0.958	75%	0.753	S	S	*	*			trans	-130.1	111.7	131.2	179.3	0	0	0	0	107.5
20	S	32.6	Very low	35.5	Very low	85 Å²	85	119 Å²	119	59%	0.594	73%	0.728	S	S	*	*			trans	-116.2	137	178.6	57.4	0	0	0	0	108.8
21	V	38.2	Very low	38.2	Very low	124 Å²	124	116.9 Å²	116.9	75%	0.752	71%	0.708	S	S	*	*			trans	73.2	109	153.4	-172.8	0	0	0	0	117.5
22	A	33.6	Very low	41.2	Very low	92 Å²	92	108.8 Å²	108.8	76%	0.76	67%	0.671	S	S	*	*	S	Bend	trans	-168.1	84.1	139	0	0	0	0	0	110.9
23	L	32.3	Very low	43.5	Very low	182 Å²	182	111.7 Å²	111.7	95%	0.953	68%	0.676	S	S	*	*			trans	177.1	65.2	140.9	-94.5	152.3	0	0	0	107.4
24	S	32.8	Very low	46.2	Very low	78 Å²	78	110.8 Å²	110.8	55%	0.545	67%	0.666	S	S	.	*			trans	-91.5	136.5	163.4	56.1	0	0	0	0	107.8
25	L	35.4	Very low	49.4	Very low	118 Å²	118	107.8 Å²	107.8	62%	0.618	63%	0.633	S	S	*	*			trans	84.9	90.5	142	-62.5	154.6	0	0	0	117.5	Q27	L25-Q27 HydrophobicContact CB-CB 4.02Å; L25-Q27 HydrophobicContact CD2-CB 3.68Å; L25-Q27 HydrophobicContact CD2-CG 3.67Å; L25-Q27 HydrophobicContact CG-CB 4.36Å; L25-Q27 PolarHBondContact O-N 3.28Å
26	V	34.6	Very low	52.6	Low	146 Å²	146	108.1 Å²	108.1	89%	0.885	62%	0.62	S	S	*	*				-77.1	89.1	120.6	179.5	0	0	0	0	105.5	S28	V26-S28 VanDerWaalsContact C-N 3.31Å; V26-S28 PolarHBondContact O-N 2.68Å; V26-S28 VanDerWaalsContact O-N 3.14Å
27	Q	40.5	Very low	55.4	Low	132 Å²	132	102.8 Å²	102.8	62%	0.617	60%	0.596	S	S	*	*			trans	-75.3	88.7	168.1	-153.5	159.3	6.5	0	0	106.2	L25 N29	L25-Q27 HydrophobicContact CB-CB 4.02Å; L25-Q27 HydrophobicContact CD2-CB 3.68Å; L25-Q27 HydrophobicContact CD2-CG 3.67Å; L25-Q27 HydrophobicContact CG-CB 4.36Å; L25-Q27 PolarHBondContact O-N 3.28Å; Q27-N29 PolarHBondContact O-N 3.04Å
28	S	43.4	Very low	58.3	Low	70 Å²	70	101.4 Å²	101.4	49%	0.49	58%	0.582	S	S	.	*			trans	-72.1	118.2	156.3	53.3	0	0	0	0	106	V26 D30	V26-S28 VanDerWaalsContact C-N 3.31Å; V26-S28 PolarHBondContact O-N 2.68Å; V26-S28 VanDerWaalsContact O-N 3.14Å; S28-D30 PolarHBondContact O-N 3.19Å
29	N	53.4	Low	61.3	Low	134 Å²	134	100 Å²	100	72%	0.717	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65	23.2	171.8	-81.8	-30.3	0	0	0	112.9	Q27 N68	Q27-N29 PolarHBondContact O-N 3.04Å; N29-N68 PolarHBondContact O-ND2 3.46Å
30	D	68.4	Low	64	Low	67 Å²	67	95.8 Å²	95.8	36%	0.358	54%	0.541	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.2	16	-163.8	-57.8	-31.5	0	0	0	113.1	S28 N68	S28-D30 PolarHBondContact O-N 3.19Å; D30-N68 CarbonylContact C-O 3.16Å
31	C	84.3	Confident	66.7	Low	39 Å²	39	96 Å²	96	26%	0.264	54%	0.54	S	S	.	.	S	Bend	trans	-100.1	125.6	169	-168.2	0	0	0	0	110.1	C37	C31-C37 VanDerWaalsContact CA-SG 3.5Å; C31-C37 HydrophobicContact CB-CB 3.8Å; C31-C37 WeakPolarHBondContact CB-SG 3.17Å; C31-C37 WeakPolarHBondContact SG-CB 3.2Å; C31-C37 PolarHBondContact SG-N 2.81Å; C31-C37 VanDerWaalsContact SG-N 3.41Å; C31-C37 CovalentContact SG-SG 2.03Å; C31-C37 PolarHBondContact SG-SG 3.29Å
32	P	88.2	Confident	69.1	Low	13 Å²	13	91.4 Å²	91.4	8%	0.084	51%	0.509	C	S	.	.			trans	-59.2	139.9	176.7	-22.3	31.6	0	0	0	112.1	L34 C35 P66 L69	P32-L34 PolarHBondContact O-N 2.8Å; P32-C35 HydrophobicContact CB-CB 4.1Å; P32-C35 HydrophobicContact CG-CB 4.37Å; P32-C35 PolarHBondContact O-N 2.96Å; P32-P66 HydrophobicContact CB-CB 3.58Å; P32-P66 HydrophobicContact CB-CG 4.17Å; P32-P66 HydrophobicContact CG-CB 3.78Å; P32-P66 HydrophobicContact CG-CG 4.42Å; P32-L69 HydrophobicContact CG-CD2 3.66Å
33	Q	82.5	Confident	71.7	Confident	195 Å²	195	92.8 Å²	92.8	91%	0.911	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-27.3	-171	-70.7	-70.4	-55	0	0	115.4
34	L	87.4	Confident	74.1	Confident	122 Å²	122	84.6 Å²	84.6	64%	0.639	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.9	-9.8	-179.1	-62.4	175.1	0	0	0	112.9	P32 L60	P32-L34 PolarHBondContact O-N 2.8Å; L34-L60 HydrophobicContact CB-CD1 3.89Å; L34-L60 HydrophobicContact CB-CD2 4.43Å; L34-L60 WeakPolarHBondContact O-CD1 3.02Å
35	C	92.9	Very high	76.5	Confident	13 Å²	13	81.2 Å²	81.2	9%	0.088	43%	0.432	C	S	.	.	S	Bend	trans	-101.7	162.3	-176	-56.7	0	0	0	0	111.5	P32 V55 D56 C57	P32-C35 HydrophobicContact CB-CB 4.1Å; P32-C35 HydrophobicContact CG-CB 4.37Å; P32-C35 PolarHBondContact O-N 2.96Å; C35-V55 HydrophobicContact CB-CG1 4.16Å; C35-D56 CarbonylContact C-O 3.19Å; C35-D56 VanDerWaalsContact CA-O 3.28Å; C35-D56 WeakPolarHBondContact CA-O 3.39Å; C35-D56 WeakPolarHBondContact CB-O 3.27Å; C35-C57 HydrophobicContact CB-CB 4.13Å; C35-C57 WeakPolarHBondContact CB-SG 3.38Å; C35-C57 WeakPolarHBondContact SG-CB 3.14Å; C35-C57 CovalentContact SG-SG 2.03Å; C35-C57 PolarHBondContact SG-SG 3.34Å
36	V	93.8	Very high	78.9	Confident	78 Å²	78	80.4 Å²	80.4	47%	0.473	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	120.8	175.4	-179	0	0	0	0	108.6	D56	V36-D56 HydrophobicContact CB-CB 4.37Å; V36-D56 PolarHBondContact N-O 2.8Å; V36-D56 PolarHBondContact O-N 3.29Å
37	C	93.2	Very high	81.3	Confident	51 Å²	51	78 Å²	78	35%	0.345	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	118.1	177.2	-50.3	0	0	0	0	109.9	C31 T54 V55	C31-C37 VanDerWaalsContact CA-SG 3.5Å; C31-C37 HydrophobicContact CB-CB 3.8Å; C31-C37 WeakPolarHBondContact CB-SG 3.17Å; C31-C37 WeakPolarHBondContact SG-CB 3.2Å; C31-C37 PolarHBondContact SG-N 2.81Å; C31-C37 VanDerWaalsContact SG-N 3.41Å; C31-C37 CovalentContact SG-SG 2.03Å; C31-C37 PolarHBondContact SG-SG 3.29Å; C37-T54 WeakPolarHBondContact CA-O 3.35Å; C37-V55 HydrophobicContact CB-CG2 4.4Å
38	E	92.8	Very high	83.6	Confident	89 Å²	89	74.8 Å²	74.8	42%	0.416	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.2	164.3	179.9	68.3	-173.7	156.9	0	0	111.9	R40 T54	E38-R40 HydrophobicContact CG-CG 3.69Å; E38-R40 IonicContact OE1-CZ 3.25Å; E38-R40 IonicContact OE1-NE 3.87Å; E38-R40 PolarHBondContact OE1-NE 3.4Å; E38-R40 IonicContact OE1-NH2 3.97Å; E38-R40 PolarHBondContact OE1-NH2 3.38Å; E38-T54 PolarHBondContact N-O 3.14Å; E38-T54 PolarHBondContact O-N 3.02Å
39	I	92.7	Very high	85.9	Confident	113 Å²	113	77.8 Å²	77.8	58%	0.579	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.8	116.2	173.6	-60.8	173.4	0	0	0	107.6	E51 A52 I53	I39-E51 HydrophobicContact CG2-CB 3.78Å; I39-E51 HydrophobicContact CG2-CG 4.48Å; I39-A52 WeakPolarHBondContact CA-O 3.38Å; I39-I53 HydrophobicContact CG1-CG1 4.32Å
40	R	91	Very high	87.6	Confident	70 Å²	70	78.4 Å²	78.4	26%	0.264	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	151.3	-179.6	-64.2	-168.7	172.4	164.3	3.6	111.9	E38 W42 A52 D56	E38-R40 HydrophobicContact CG-CG 3.69Å; E38-R40 IonicContact OE1-CZ 3.25Å; E38-R40 IonicContact OE1-NE 3.87Å; E38-R40 PolarHBondContact OE1-NE 3.4Å; E38-R40 IonicContact OE1-NH2 3.97Å; E38-R40 PolarHBondContact OE1-NH2 3.38Å; R40-W42 PolarHBondContact O-N 3.46Å; R40-A52 PolarHBondContact N-O 3.23Å; R40-A52 PolarHBondContact O-N 2.74Å; R40-D56 IonicContact CZ-OD2 3.33Å; R40-D56 IonicContact NH1-OD2 2.9Å; R40-D56 PolarHBondContact NH1-OD2 2.83Å; R40-D56 IonicContact NH2-OD2 2.69Å; R40-D56 PolarHBondContact NH2-OD2 3.21Å
41	P	88.9	Confident	88.6	Confident	90 Å²	90	81.6 Å²	81.6	58%	0.584	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-52.3	126.3	159.5	-27.8	37.8	0	0	0	110.8	Y49	P41-Y49 HydrophobicContact CB-CE2 3.88Å; P41-Y49 HydrophobicContact CG-CE2 4.46Å
42	W	89.9	Confident	89	Confident	27 Å²	27	79.9 Å²	79.9	10%	0.102	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	141.5	177	177.2	73.9	0	0	0	109.3	R40 T44 R50 A52 V75 E98	R40-W42 PolarHBondContact O-N 3.46Å; W42-T44 HydrophobicContact CE3-CG2 4.33Å; W42-T44 HydrophobicContact CH2-CG2 3.74Å; W42-T44 HydrophobicContact CZ3-CG2 3.49Å; W42-T44 VanDerWaalsContact CZ3-CG2 3.49Å; W42-R50 HydrophobicContact CE3-CB 3.99Å; W42-R50 PolarHBondContact N-O 3.35Å; W42-R50 CarbonylContact O-C 3.5Å; W42-R50 PolarHBondContact O-N 3.29Å; W42-A52 HydrophobicContact CB-CB 3.69Å; W42-A52 HydrophobicContact CG-CB 4.12Å; W42-V75 HydrophobicContact CG-CG2 4.31Å; W42-E98 PolarHBondContact NE1-OE2 3.44Å
43	F	86.5	Confident	89.2	Confident	121 Å²	121	82.2 Å²	82.2	53%	0.531	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	127.7	176.5	-68	-90.9	0	0	0	109	T48 Y49	F43-T48 WeakPolarHBondContact CA-O 3.28Å; F43-Y49 HydrophobicContact CE1-CD2 4.06Å; F43-Y49 HydrophobicContact CE1-CG 4.5Å; F43-Y49 AromaticContact CZ-CD2 3.93Å; F43-Y49 HydrophobicContact CZ-CD2 3.93Å
44	T	84.3	Confident	89.8	Confident	10 Å²	10	73.2 Å²	73.2	6%	0.061	37%	0.369	C	S	.	.			trans	-59.8	159.6	170.5	62.3	0	0	0	0	110.2	W42 Q46 S47 T48 R50	W42-T44 HydrophobicContact CE3-CG2 4.33Å; W42-T44 HydrophobicContact CH2-CG2 3.74Å; W42-T44 HydrophobicContact CZ3-CG2 3.49Å; W42-T44 VanDerWaalsContact CZ3-CG2 3.49Å; T44-Q46 PolarHBondContact O-N 3.23Å; T44-Q46 PolarHBondContact OG1-N 2.88Å; T44-S47 WeakPolarHBondContact O-CA 3.34Å; T44-S47 PolarHBondContact O-N 2.88Å; T44-T48 WeakPolarHBondContact CG2-OG1 3.35Å; T44-T48 PolarHBondContact N-O 2.83Å; T44-T48 WeakPolarHBondContact OG1-CB 3.19Å; T44-T48 PolarHBondContact OG1-N 2.73Å; T44-T48 PolarHBondContact OG1-OG1 2.69Å; T44-R50 HydrophobicContact CG2-CG 4.38Å
45	P	83.3	Confident	90.2	Very high	8 Å²	8	67.6 Å²	67.6	5%	0.052	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.5	-21.8	171	-32.2	39.7	0	0	0	115.8	S47 Q145 E146 R170	P45-S47 VanDerWaalsContact C-N 3.29Å; P45-Q145 HydrophobicContact CB-CB 4.13Å; P45-Q145 VanDerWaalsContact CB-OE1 3.26Å; P45-Q145 HydrophobicContact CG-CB 4.05Å; P45-Q145 VanDerWaalsContact CG-OE1 3.28Å; P45-E146 HydrophobicContact CB-CG 3.94Å; P45-E146 WeakPolarHBondContact CB-OE1 3.46Å; P45-E146 HydrophobicContact CG-CG 4.07Å; P45-R170 PolarHBondContact O-NH1 3.08Å
46	Q	84.1	Confident	90.3	Very high	100 Å²	100	68.4 Å²	68.4	47%	0.467	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.7	16.4	172.5	-59.4	76.3	17.9	0	0	113.9	T44 T48	T44-Q46 PolarHBondContact O-N 3.23Å; T44-Q46 PolarHBondContact OG1-N 2.88Å; Q46-T48 VanDerWaalsContact C-N 3.28Å; Q46-T48 HydrophobicContact CB-CG2 4.47Å; Q46-T48 PolarHBondContact O-N 3.19Å
47	S	86.9	Confident	90.4	Very high	97 Å²	97	64.7 Å²	64.7	68%	0.678	32%	0.321	S	S	*	.			trans	58.9	29.7	-179.4	-49.2	0	0	0	0	115	T44 P45	T44-S47 WeakPolarHBondContact O-CA 3.34Å; T44-S47 PolarHBondContact O-N 2.88Å; P45-S47 VanDerWaalsContact C-N 3.29Å
48	T	88.3	Confident	90.6	Very high	63 Å²	63	63.6 Å²	63.6	39%	0.387	31%	0.311	S	S	.	.			trans	-91.5	129.9	174.2	72	0	0	0	0	110.9	F43 T44 Q46	F43-T48 WeakPolarHBondContact CA-O 3.28Å; T44-T48 WeakPolarHBondContact CG2-OG1 3.35Å; T44-T48 PolarHBondContact N-O 2.83Å; T44-T48 WeakPolarHBondContact OG1-CB 3.19Å; T44-T48 PolarHBondContact OG1-N 2.73Å; T44-T48 PolarHBondContact OG1-OG1 2.69Å; Q46-T48 VanDerWaalsContact C-N 3.28Å; Q46-T48 HydrophobicContact CB-CG2 4.47Å; Q46-T48 PolarHBondContact O-N 3.19Å
49	Y	90.6	Very high	90.7	Very high	134 Å²	134	65 Å²	65	53%	0.525	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	134	179.6	174.4	-90.2	0	0	0	111.5	P41 F43 E51	P41-Y49 HydrophobicContact CB-CE2 3.88Å; P41-Y49 HydrophobicContact CG-CE2 4.46Å; F43-Y49 HydrophobicContact CE1-CD2 4.06Å; F43-Y49 HydrophobicContact CE1-CG 4.5Å; F43-Y49 AromaticContact CZ-CD2 3.93Å; F43-Y49 HydrophobicContact CZ-CD2 3.93Å; Y49-E51 HydrophobicContact CE1-CG 4.41Å
50	R	89.8	Confident	90.9	Very high	147 Å²	147	62.2 Å²	62.2	56%	0.555	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.9	166.4	172	-64.8	-170	-179.4	-161.6	-0.1	110.1	W42 T44	W42-R50 HydrophobicContact CE3-CB 3.99Å; W42-R50 PolarHBondContact N-O 3.35Å; W42-R50 CarbonylContact O-C 3.5Å; W42-R50 PolarHBondContact O-N 3.29Å; T44-R50 HydrophobicContact CG2-CG 4.38Å
51	E	90.4	Very high	91.1	Very high	134 Å²	134	67.6 Å²	67.6	63%	0.626	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-105	134.5	167	-68.3	-178.3	157.5	0	0	107.9	I39 Y49	I39-E51 HydrophobicContact CG2-CB 3.78Å; I39-E51 HydrophobicContact CG2-CG 4.48Å; Y49-E51 HydrophobicContact CE1-CG 4.41Å
52	A	91.3	Very high	91.3	Very high	2 Å²	2	64.3 Å²	64.3	2%	0.017	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.3	-178.6	0	0	0	0	0	112	I39 R40 W42 T54 Q74 V75	I39-A52 WeakPolarHBondContact CA-O 3.38Å; R40-A52 PolarHBondContact N-O 3.23Å; R40-A52 PolarHBondContact O-N 2.74Å; W42-A52 HydrophobicContact CB-CB 3.69Å; W42-A52 HydrophobicContact CG-CB 4.12Å; A52-T54 PolarHBondContact O-N 3.24Å; A52-T54 PolarHBondContact O-OG1 2.77Å; A52-Q74 HydrophobicContact CB-CB 4.18Å; A52-V75 HydrophobicContact CB-CG2 3.77Å
53	I	93.4	Very high	91.5	Very high	63 Å²	63	67.8 Å²	67.8	32%	0.323	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	108.4	173.2	-59.6	172.3	0	0	0	107.9	I39 E72 Q74 V75	I39-I53 HydrophobicContact CG1-CG1 4.32Å; I53-E72 HydrophobicContact CD1-CB 4.06Å; I53-Q74 VanDerWaalsContact N-OE1 3.12Å; I53-Q74 PolarHBondContact O-N 3.17Å; I53-V75 PolarHBondContact O-N 3.04Å
54	T	94.9	Very high	91.8	Very high	5 Å²	5	68.7 Å²	68.7	3%	0.031	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	131.5	-174.9	-54.7	0	0	0	0	111.1	C37 E38 A52 V75 L77	C37-T54 WeakPolarHBondContact CA-O 3.35Å; E38-T54 PolarHBondContact N-O 3.14Å; E38-T54 PolarHBondContact O-N 3.02Å; A52-T54 PolarHBondContact O-N 3.24Å; A52-T54 PolarHBondContact O-OG1 2.77Å; T54-V75 CarbonylContact C-O 3.56Å; T54-V75 WeakPolarHBondContact CA-O 3.21Å; T54-V75 HydrophobicContact CG2-CB 4.03Å; T54-V75 HydrophobicContact CG2-CG1 3.91Å; T54-L77 HydrophobicContact CG2-CD1 3.94Å; T54-L77 HydrophobicContact CG2-CG 4.18Å
55	V	95.4	Very high	92.1	Very high	4 Å²	4	68.2 Å²	68.2	2%	0.024	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	114.7	167.7	-179.4	0	0	0	0	108.4	C35 C37 L69 T73 V75 L76 L77	C35-V55 HydrophobicContact CB-CG1 4.16Å; C37-V55 HydrophobicContact CB-CG2 4.4Å; V55-L69 HydrophobicContact CG1-CD2 3.83Å; V55-L69 HydrophobicContact CG2-CD2 4.5Å; V55-T73 HydrophobicContact CB-CG2 4.13Å; V55-T73 HydrophobicContact CG2-CG2 3.62Å; V55-V75 PolarHBondContact N-O 2.99Å; V55-L76 HydrophobicContact CB-CD1 3.96Å; V55-L76 HydrophobicContact CG1-CD1 4.02Å; V55-L77 PolarHBondContact O-N 3.03Å
56	D	95.9	Very high	92.4	Very high	31 Å²	31	69 Å²	69	17%	0.166	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	111.2	-177.4	-171	-15.5	0	0	0	110.4	C35 V36 R40 N58 L77	C35-D56 CarbonylContact C-O 3.19Å; C35-D56 VanDerWaalsContact CA-O 3.28Å; C35-D56 WeakPolarHBondContact CA-O 3.39Å; C35-D56 WeakPolarHBondContact CB-O 3.27Å; V36-D56 HydrophobicContact CB-CB 4.37Å; V36-D56 PolarHBondContact N-O 2.8Å; V36-D56 PolarHBondContact O-N 3.29Å; R40-D56 IonicContact CZ-OD2 3.33Å; R40-D56 IonicContact NH1-OD2 2.9Å; R40-D56 PolarHBondContact NH1-OD2 2.83Å; R40-D56 IonicContact NH2-OD2 2.69Å; R40-D56 PolarHBondContact NH2-OD2 3.21Å; D56-N58 WeakPolarHBondContact OD1-CB 3.46Å; D56-N58 PolarHBondContact OD1-N 3.27Å; D56-N58 PolarHBondContact OD1-ND2 3.24Å; D56-L77 HydrophobicContact CB-CD1 4.37Å
57	C	95.8	Very high	92.1	Very high	0 Å²	0	66.3 Å²	66.3	0%	0	33%	0.331	C	S	.	.			trans	-123.9	30.2	-178.2	-63	0	0	0	0	111.6	C35 L60 L62 L77 L78 N81	C35-C57 HydrophobicContact CB-CB 4.13Å; C35-C57 WeakPolarHBondContact CB-SG 3.38Å; C35-C57 WeakPolarHBondContact SG-CB 3.14Å; C35-C57 CovalentContact SG-SG 2.03Å; C35-C57 PolarHBondContact SG-SG 3.34Å; C57-L60 HydrophobicContact CB-CD1 4.01Å; C57-L62 HydrophobicContact CB-CD1 3.96Å; C57-L77 CarbonylContact C-O 3.56Å; C57-L77 WeakPolarHBondContact CA-O 3.3Å; C57-L77 WeakPolarHBondContact CB-O 3.41Å; C57-L77 PolarHBondContact N-O 2.67Å; C57-L78 HydrophobicContact CB-CD2 3.5Å; C57-L78 VanDerWaalsContact CB-CD2 3.5Å; C57-L78 HydrophobicContact CB-CG 4.33Å; C57-N81 PolarHBondContact O-ND2 2.98Å
58	N	96.1	Very high	91.8	Very high	28 Å²	28	66.6 Å²	66.6	15%	0.15	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	144.1	-175	-67	-32.4	0	0	0	113.3	D56 L60 L77 L78 Q79	D56-N58 WeakPolarHBondContact OD1-CB 3.46Å; D56-N58 PolarHBondContact OD1-N 3.27Å; D56-N58 PolarHBondContact OD1-ND2 3.24Å; N58-L60 VanDerWaalsContact C-N 3.3Å; N58-L60 WeakPolarHBondContact O-CG 3.49Å; N58-L60 PolarHBondContact O-N 2.73Å; N58-L77 WeakPolarHBondContact OD1-CB 3.34Å; N58-L77 PolarHBondContact OD1-O 3.07Å; N58-L78 PolarHBondContact OD1-N 3.32Å; N58-Q79 WeakPolarHBondContact CA-O 3.3Å; N58-Q79 HydrophobicContact CB-CG 3.79Å; N58-Q79 VanDerWaalsContact CG-CG 3.45Å; N58-Q79 VanDerWaalsContact CG-NE2 3.28Å; N58-Q79 PolarHBondContact ND2-NE2 3.1Å; N58-Q79 WeakPolarHBondContact OD1-CB 3.3Å; N58-Q79 VanDerWaalsContact OD1-CG 3.25Å; N58-Q79 WeakPolarHBondContact OD1-CG 3.27Å; N58-Q79 PolarHBondContact OD1-N 3.45Å
59	D	96	Very high	91.8	Very high	119 Å²	119	64.6 Å²	64.6	64%	0.636	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.9	40.4	175.4	-169.5	29.5	0	0	0	114.5	Q79 S80	D59-Q79 PolarHBondContact N-O 2.96Å; D59-S80 WeakPolarHBondContact CA-O 3.34Å
60	L	95.9	Very high	91.6	Very high	53 Å²	53	59.9 Å²	59.9	28%	0.277	30%	0.298	S	S	.	.	S	Bend	trans	-104.7	4.5	-178.3	-67.8	179.4	0	0	0	113	L34 C57 N58 L62 N81	L34-L60 HydrophobicContact CB-CD1 3.89Å; L34-L60 HydrophobicContact CB-CD2 4.43Å; L34-L60 WeakPolarHBondContact O-CD1 3.02Å; C57-L60 HydrophobicContact CB-CD1 4.01Å; N58-L60 VanDerWaalsContact C-N 3.3Å; N58-L60 WeakPolarHBondContact O-CG 3.49Å; N58-L60 PolarHBondContact O-N 2.73Å; L60-L62 HydrophobicContact CB-CD1 3.98Å; L60-L62 HydrophobicContact CB-CD2 4.09Å; L60-L62 HydrophobicContact CB-CG 3.66Å; L60-L62 HydrophobicContact CD1-CD1 4.22Å; L60-L62 PolarHBondContact O-N 2.91Å; L60-N81 PolarHBondContact N-OD1 3.42Å; L60-N81 VanDerWaalsContact N-OD1 3.14Å
61	R	95.3	Very high	91.5	Very high	183 Å²	183	55.8 Å²	55.8	69%	0.691	29%	0.292	S	S	*	.			trans	56.2	33	-176.9	-53.7	-174.2	-179.4	-177	-0.3	112.6	N81 Y82	R61-N81 PolarHBondContact N-OD1 3.12Å; R61-Y82 HydrophobicContact CB-CD2 3.87Å; R61-Y82 HydrophobicContact CB-CE2 3.61Å; R61-Y82 HydrophobicContact CG-CD2 4.49Å; R61-Y82 HydrophobicContact CG-CE2 3.76Å
62	L	94.2	Very high	91.4	Very high	21 Å²	21	54.1 Å²	54.1	11%	0.11	28%	0.284	C	S	.	.			trans	-69.7	135.9	-178	-61.1	171.7	0	0	0	110.2	C57 L60 P66 L78 N81 Y82 I83	C57-L62 HydrophobicContact CB-CD1 3.96Å; L60-L62 HydrophobicContact CB-CD1 3.98Å; L60-L62 HydrophobicContact CB-CD2 4.09Å; L60-L62 HydrophobicContact CB-CG 3.66Å; L60-L62 HydrophobicContact CD1-CD1 4.22Å; L60-L62 PolarHBondContact O-N 2.91Å; L62-P66 HydrophobicContact CD1-CG 4.06Å; L62-P66 HydrophobicContact CD2-CG 4.47Å; L62-L78 HydrophobicContact CD1-CD2 3.91Å; L62-N81 HydrophobicContact CB-CB 4.22Å; L62-N81 WeakPolarHBondContact CB-OD1 3.49Å; L62-N81 PolarHBondContact N-OD1 3.02Å; L62-Y82 CarbonylContact O-C 3.58Å; L62-Y82 VanDerWaalsContact O-C 3.25Å; L62-Y82 WeakPolarHBondContact O-CA 3.44Å; L62-Y82 PolarHBondContact O-N 3.16Å; L62-I83 HydrophobicContact CB-CG1 4.41Å; L62-I83 WeakPolarHBondContact O-CG1 3.38Å; L62-I83 PolarHBondContact O-N 3.45Å
63	T	93.9	Very high	91.5	Very high	101 Å²	101	54 Å²	54	62%	0.62	28%	0.284	S	S	*	.	S	Bend	trans	-98.2	-12.4	171	54	0	0	0	0	112.6
64	R	92.1	Very high	91.5	Very high	139 Å²	139	54.1 Å²	54.1	53%	0.525	28%	0.283	S	S	.	.	S	Bend	trans	-149.8	157.7	177.6	62.6	-178.7	-65	-108.3	-4.4	110	E89	R64-E89 IonicContact CZ-OE1 3.56Å; R64-E89 IonicContact NE-OE1 3.95Å; R64-E89 IonicContact NH2-OE1 3.65Å; R64-E89 PolarHBondContact NH2-OE1 3.31Å
65	I	91.3	Very high	91.5	Very high	1 Å²	1	54.1 Å²	54.1	1%	0.005	28%	0.282	C	S	.	.	P	Polyproline II helix	trans	-64.8	134.1	174.3	-57.6	-178.1	0	0	0	108.8	G67 L69 L78 I83 T86 E89 L90	I65-G67 PolarHBondContact O-N 2.99Å; I65-L69 HydrophobicContact CG2-CD1 3.61Å; I65-L78 HydrophobicContact CD1-CD1 3.92Å; I65-L78 HydrophobicContact CG1-CD1 3.84Å; I65-L78 HydrophobicContact CG2-CD1 4.36Å; I65-I83 HydrophobicContact CG1-CD1 4.15Å; I65-T86 HydrophobicContact CD1-CG2 3.73Å; I65-T86 HydrophobicContact CG1-CG2 4.38Å; I65-E89 HydrophobicContact CB-CB 4.17Å; I65-E89 HydrophobicContact CB-CG 4.44Å; I65-E89 HydrophobicContact CG2-CB 4.26Å; I65-L90 HydrophobicContact CD1-CD1 4.28Å; I65-L90 HydrophobicContact CD1-CD2 3.68Å; I65-L90 HydrophobicContact CD1-CG 3.81Å
66	P	88.2	Confident	91.6	Very high	24 Å²	24	53.9 Å²	53.9	16%	0.156	28%	0.281	C	S	.	.	P	Polyproline II helix	trans	-59.6	137	175.7	-21	32.5	0	0	0	111	P32 L62	P32-P66 HydrophobicContact CB-CB 3.58Å; P32-P66 HydrophobicContact CB-CG 4.17Å; P32-P66 HydrophobicContact CG-CB 3.78Å; P32-P66 HydrophobicContact CG-CG 4.42Å; L62-P66 HydrophobicContact CD1-CG 4.06Å; L62-P66 HydrophobicContact CD2-CG 4.47Å
67	G	77.9	Confident	91.6	Very high	43 Å²	43	53.5 Å²	53.5	44%	0.443	28%	0.279	S	S	.	.	S	Bend	trans	-69.9	161.4	170.9	0	0	0	0	0	111.6	I65	I65-G67 PolarHBondContact O-N 2.99Å
68	N	80.9	Confident	91.6	Very high	104 Å²	104	53.5 Å²	53.5	56%	0.556	28%	0.279	S	S	*	.			trans	75.7	38.9	176.9	-150.9	50.1	0	0	0	115.3	N29 D30	N29-N68 PolarHBondContact O-ND2 3.46Å; D30-N68 CarbonylContact C-O 3.16Å
69	L	87.6	Confident	91.7	Very high	21 Å²	21	55.5 Å²	55.5	11%	0.11	29%	0.287	C	S	.	.			trans	-77.1	139.4	170.2	-66.2	172.1	0	0	0	110.4	P32 V55 I65 L76 L93	P32-L69 HydrophobicContact CG-CD2 3.66Å; V55-L69 HydrophobicContact CG1-CD2 3.83Å; V55-L69 HydrophobicContact CG2-CD2 4.5Å; I65-L69 HydrophobicContact CG2-CD1 3.61Å; L69-L76 HydrophobicContact CD1-CD1 4.36Å; L69-L76 HydrophobicContact CD1-CD2 4.1Å; L69-L76 HydrophobicContact CD2-CD1 4.46Å; L69-L93 HydrophobicContact CB-CD2 3.89Å; L69-L93 HydrophobicContact CD1-CD1 3.92Å
70	S	87.7	Confident	91.8	Very high	35 Å²	35	51.6 Å²	51.6	25%	0.245	27%	0.269	C	S	.	.			trans	-67	136.6	174.6	-177.8	0	0	0	0	111.1	E72 T73 L93	S70-E72 PolarHBondContact O-N 2.97Å; S70-E72 PolarHBondContact OG-N 3.28Å; S70-T73 VanDerWaalsContact O-CB 3.27Å; S70-T73 WeakPolarHBondContact O-CB 3.39Å; S70-T73 PolarHBondContact O-N 3.07Å; S70-T73 VanDerWaalsContact O-N 3.07Å; S70-T73 PolarHBondContact O-OG1 3.36Å; S70-L93 WeakPolarHBondContact O-CD2 3.47Å
71	S	87.2	Confident	91.8	Very high	60 Å²	60	49.3 Å²	49.3	42%	0.42	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-16.9	173.9	59.1	0	0	0	0	113.8	T73	S71-T73 VanDerWaalsContact C-N 3.27Å
72	E	88.9	Confident	91.9	Very high	99 Å²	99	47.4 Å²	47.4	46%	0.463	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.1	-1.7	176.6	-60.5	-57.8	148.7	0	0	112.9	I53 S70 Q74 N95	I53-E72 HydrophobicContact CD1-CB 4.06Å; S70-E72 PolarHBondContact O-N 2.97Å; S70-E72 PolarHBondContact OG-N 3.28Å; E72-Q74 PolarHBondContact O-N 2.78Å; E72-N95 PolarHBondContact OE2-ND2 3.19Å
73	T	92.3	Very high	92	Very high	1 Å²	1	46.4 Å²	46.4	1%	0.006	25%	0.246	C	C	.	.			trans	-61	125.1	177.9	-56.1	0	0	0	0	110.1	V55 S70 S71 V75 L76 N95 L96	V55-T73 HydrophobicContact CB-CG2 4.13Å; V55-T73 HydrophobicContact CG2-CG2 3.62Å; S70-T73 VanDerWaalsContact O-CB 3.27Å; S70-T73 WeakPolarHBondContact O-CB 3.39Å; S70-T73 PolarHBondContact O-N 3.07Å; S70-T73 VanDerWaalsContact O-N 3.07Å; S70-T73 PolarHBondContact O-OG1 3.36Å; S71-T73 VanDerWaalsContact C-N 3.27Å; T73-V75 WeakPolarHBondContact CG2-O 3.22Å; T73-L76 HydrophobicContact CG2-CB 4.45Å; T73-N95 CarbonylContact O-C 3.06Å; T73-L96 HydrophobicContact CG2-CD1 4.03Å
74	Q	94.1	Very high	92.1	Very high	65 Å²	65	43.8 Å²	43.8	30%	0.304	24%	0.235	S	C	.	.			trans	-103.5	-35.3	179.4	-72.1	172.2	-34.7	0	0	111.9	A52 I53 E72 L96 T97 E98	A52-Q74 HydrophobicContact CB-CB 4.18Å; I53-Q74 VanDerWaalsContact N-OE1 3.12Å; I53-Q74 PolarHBondContact O-N 3.17Å; E72-Q74 PolarHBondContact O-N 2.78Å; Q74-L96 WeakPolarHBondContact O-CD1 3.45Å; Q74-T97 PolarHBondContact O-N 2.98Å; Q74-T97 PolarHBondContact O-OG1 3.23Å; Q74-E98 PolarHBondContact O-N 2.81Å
75	V	95.8	Very high	92.2	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.024	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	125	178.8	-178.3	0	0	0	0	109	W42 A52 I53 T54 V55 T73 L77 E98	W42-V75 HydrophobicContact CG-CG2 4.31Å; A52-V75 HydrophobicContact CB-CG2 3.77Å; I53-V75 PolarHBondContact O-N 3.04Å; T54-V75 CarbonylContact C-O 3.56Å; T54-V75 WeakPolarHBondContact CA-O 3.21Å; T54-V75 HydrophobicContact CG2-CB 4.03Å; T54-V75 HydrophobicContact CG2-CG1 3.91Å; V55-V75 PolarHBondContact N-O 2.99Å; T73-V75 WeakPolarHBondContact CG2-O 3.22Å; V75-L77 HydrophobicContact CG1-CD2 3.72Å; V75-L77 HydrophobicContact CG1-CG 4.1Å; V75-E98 WeakPolarHBondContact CA-O 3.07Å; V75-E98 HydrophobicContact CG1-CB 4.18Å; V75-E98 HydrophobicContact CG1-CG 4.34Å; V75-E98 HydrophobicContact CG2-CB 4.17Å
76	L	95.6	Very high	92.2	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	116	176.9	179	60.3	0	0	0	109.7	V55 L69 T73 L78 L90 L93 L96 E98 L99 D100	V55-L76 HydrophobicContact CB-CD1 3.96Å; V55-L76 HydrophobicContact CG1-CD1 4.02Å; L69-L76 HydrophobicContact CD1-CD1 4.36Å; L69-L76 HydrophobicContact CD1-CD2 4.1Å; L69-L76 HydrophobicContact CD2-CD1 4.46Å; T73-L76 HydrophobicContact CG2-CB 4.45Å; L76-L78 HydrophobicContact CD1-CD1 4.19Å; L76-L78 HydrophobicContact CD1-CG 4.21Å; L76-L78 HydrophobicContact CD2-CD1 3.74Å; L76-L78 HydrophobicContact CG-CD1 3.77Å; L76-L78 HydrophobicContact CG-CG 4.12Å; L76-L90 HydrophobicContact CD2-CD2 4.1Å; L76-L93 HydrophobicContact CD2-CD1 3.91Å; L76-L96 HydrophobicContact CB-CD1 3.7Å; L76-L96 HydrophobicContact CB-CD2 4.39Å; L76-E98 PolarHBondContact N-O 2.97Å; L76-L99 HydrophobicContact CB-CD1 4.09Å; L76-L99 HydrophobicContact CD2-CD1 3.93Å; L76-L99 HydrophobicContact CG-CD1 4.09Å; L76-D100 PolarHBondContact O-N 3.18Å
77	L	96.9	Very high	91.8	Very high	22 Å²	22	47.8 Å²	47.8	12%	0.115	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	117.8	-179.4	-48.1	175.7	0	0	0	109.9	T54 V55 D56 C57 N58 V75 D100	T54-L77 HydrophobicContact CG2-CD1 3.94Å; T54-L77 HydrophobicContact CG2-CG 4.18Å; V55-L77 PolarHBondContact O-N 3.03Å; D56-L77 HydrophobicContact CB-CD1 4.37Å; C57-L77 CarbonylContact C-O 3.56Å; C57-L77 WeakPolarHBondContact CA-O 3.3Å; C57-L77 WeakPolarHBondContact CB-O 3.41Å; C57-L77 PolarHBondContact N-O 2.67Å; N58-L77 WeakPolarHBondContact OD1-CB 3.34Å; N58-L77 PolarHBondContact OD1-O 3.07Å; V75-L77 HydrophobicContact CG1-CD2 3.72Å; V75-L77 HydrophobicContact CG1-CG 4.1Å; L77-D100 HydrophobicContact CD2-CB 3.9Å
78	L	96.7	Very high	91.8	Very high	0 Å²	0	52.4 Å²	52.4	0%	0	27%	0.268	C	S	.	.			trans	-131.5	27	-177.5	-74.3	161.8	0	0	0	111.5	C57 N58 L62 I65 L76 N81 I83 D100 L101 N104	C57-L78 HydrophobicContact CB-CD2 3.5Å; C57-L78 VanDerWaalsContact CB-CD2 3.5Å; C57-L78 HydrophobicContact CB-CG 4.33Å; N58-L78 PolarHBondContact OD1-N 3.32Å; L62-L78 HydrophobicContact CD1-CD2 3.91Å; I65-L78 HydrophobicContact CD1-CD1 3.92Å; I65-L78 HydrophobicContact CG1-CD1 3.84Å; I65-L78 HydrophobicContact CG2-CD1 4.36Å; L76-L78 HydrophobicContact CD1-CD1 4.19Å; L76-L78 HydrophobicContact CD1-CG 4.21Å; L76-L78 HydrophobicContact CD2-CD1 3.74Å; L76-L78 HydrophobicContact CG-CD1 3.77Å; L76-L78 HydrophobicContact CG-CG 4.12Å; L78-N81 PolarHBondContact O-ND2 2.81Å; L78-I83 HydrophobicContact CB-CD1 4.41Å; L78-I83 HydrophobicContact CD1-CD1 4.43Å; L78-I83 HydrophobicContact CD2-CD1 4.15Å; L78-D100 CarbonylContact C-O 3.34Å; L78-D100 WeakPolarHBondContact CA-O 3.07Å; L78-D100 WeakPolarHBondContact CB-O 3.45Å; L78-D100 PolarHBondContact N-O 3.12Å; L78-L101 HydrophobicContact CB-CD2 3.82Å; L78-L101 HydrophobicContact CD1-CD2 3.74Å; L78-L101 HydrophobicContact CG-CD2 4.45Å; L78-N104 PolarHBondContact O-ND2 3.27Å
79	Q	96.8	Very high	91.9	Very high	71 Å²	71	49.2 Å²	49.2	33%	0.332	25%	0.25	S	C	.	.			trans	-62	151.2	-178.4	93.9	-162.6	-35.2	0	0	112.2	N58 D59 N81 S102	N58-Q79 WeakPolarHBondContact CA-O 3.3Å; N58-Q79 HydrophobicContact CB-CG 3.79Å; N58-Q79 VanDerWaalsContact CG-CG 3.45Å; N58-Q79 VanDerWaalsContact CG-NE2 3.28Å; N58-Q79 PolarHBondContact ND2-NE2 3.1Å; N58-Q79 WeakPolarHBondContact OD1-CB 3.3Å; N58-Q79 VanDerWaalsContact OD1-CG 3.25Å; N58-Q79 WeakPolarHBondContact OD1-CG 3.27Å; N58-Q79 PolarHBondContact OD1-N 3.45Å; D59-Q79 PolarHBondContact N-O 2.96Å; Q79-N81 PolarHBondContact O-N 2.85Å; Q79-N81 PolarHBondContact O-ND2 3.01Å; Q79-S102 WeakPolarHBondContact CA-O 3.45Å; Q79-S102 WeakPolarHBondContact CB-OG 3.32Å
80	S	97.5	Very high	91.9	Very high	37 Å²	37	48.2 Å²	48.2	26%	0.259	25%	0.245	S	C	.	.	S	Bend	trans	56.9	50.4	173.9	-49	0	0	0	0	113.2	D59 S102 Q103	D59-S80 WeakPolarHBondContact CA-O 3.34Å; S80-S102 PolarHBondContact N-O 3.29Å; S80-S102 VanDerWaalsContact N-O 3.17Å; S80-Q103 VanDerWaalsContact CA-O 3.3Å; S80-Q103 WeakPolarHBondContact CA-O 3.39Å; S80-Q103 PolarHBondContact N-O 3.24Å; S80-Q103 PolarHBondContact OG-OE1 2.78Å
81	N	97.6	Very high	91.6	Very high	5 Å²	5	51.1 Å²	51.1	3%	0.027	26%	0.255	C	S	.	.			trans	-122.1	-174.3	177.3	-79	-62.9	0	0	0	110.7	C57 L60 R61 L62 L78 Q79 I83 Q103 N104	C57-N81 PolarHBondContact O-ND2 2.98Å; L60-N81 PolarHBondContact N-OD1 3.42Å; L60-N81 VanDerWaalsContact N-OD1 3.14Å; R61-N81 PolarHBondContact N-OD1 3.12Å; L62-N81 HydrophobicContact CB-CB 4.22Å; L62-N81 WeakPolarHBondContact CB-OD1 3.49Å; L62-N81 PolarHBondContact N-OD1 3.02Å; L78-N81 PolarHBondContact O-ND2 2.81Å; Q79-N81 PolarHBondContact O-N 2.85Å; Q79-N81 PolarHBondContact O-ND2 3.01Å; N81-I83 HydrophobicContact CB-CD1 4.39Å; N81-I83 HydrophobicContact CB-CG1 4.16Å; N81-Q103 PolarHBondContact N-O 2.84Å; N81-N104 WeakPolarHBondContact CA-OD1 3.41Å; N81-N104 WeakPolarHBondContact CB-OD1 3.28Å; N81-N104 PolarHBondContact O-OD1 2.82Å
82	Y	97.3	Very high	91.3	Very high	142 Å²	142	54 Å²	54	56%	0.557	26%	0.262	S	S	*	.			trans	-114.8	30.1	-179.8	-57	-65.8	0	0	0	111.9	R61 L62 A84	R61-Y82 HydrophobicContact CB-CD2 3.87Å; R61-Y82 HydrophobicContact CB-CE2 3.61Å; R61-Y82 HydrophobicContact CG-CD2 4.49Å; R61-Y82 HydrophobicContact CG-CE2 3.76Å; L62-Y82 CarbonylContact O-C 3.58Å; L62-Y82 VanDerWaalsContact O-C 3.25Å; L62-Y82 WeakPolarHBondContact O-CA 3.44Å; L62-Y82 PolarHBondContact O-N 3.16Å; Y82-A84 PolarHBondContact O-N 2.76Å
83	I	96.3	Very high	91.3	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.241	C	C	.	.			trans	-74.8	124	-178.2	-52.7	173.7	0	0	0	108.2	L62 I65 L78 N81 T86 N104 N105 F106	L62-I83 HydrophobicContact CB-CG1 4.41Å; L62-I83 WeakPolarHBondContact O-CG1 3.38Å; L62-I83 PolarHBondContact O-N 3.45Å; I65-I83 HydrophobicContact CG1-CD1 4.15Å; L78-I83 HydrophobicContact CB-CD1 4.41Å; L78-I83 HydrophobicContact CD1-CD1 4.43Å; L78-I83 HydrophobicContact CD2-CD1 4.15Å; N81-I83 HydrophobicContact CB-CD1 4.39Å; N81-I83 HydrophobicContact CB-CG1 4.16Å; I83-T86 HydrophobicContact CG2-CG2 4.45Å; I83-N104 VanDerWaalsContact CB-OD1 3.32Å; I83-N104 WeakPolarHBondContact CB-OD1 3.41Å; I83-N104 WeakPolarHBondContact CG1-OD1 3.5Å; I83-N104 PolarHBondContact N-OD1 2.78Å; I83-N105 CarbonylContact O-C 3.58Å; I83-N105 WeakPolarHBondContact O-CA 3.37Å; I83-N105 PolarHBondContact O-N 2.96Å; I83-F106 HydrophobicContact CB-CE2 4.3Å; I83-F106 HydrophobicContact CB-CZ 4.12Å; I83-F106 HydrophobicContact CG2-CE1 4.13Å; I83-F106 HydrophobicContact CG2-CE2 4.21Å; I83-F106 HydrophobicContact CG2-CZ 3.54Å
84	A	95.8	Very high	90.9	Very high	46 Å²	46	55.6 Å²	55.6	38%	0.38	27%	0.267	S	S	.	.			trans	-106.8	-23	178.5	0	0	0	0	0	113.1	Y82 N105 F106	Y82-A84 PolarHBondContact O-N 2.76Å; A84-N105 HydrophobicContact CB-CB 4.35Å; A84-F106 VanDerWaalsContact O-CD1 3.32Å; A84-F106 WeakPolarHBondContact O-CD1 3.43Å
85	R	94.9	Very high	90.7	Very high	171 Å²	171	55.7 Å²	55.7	65%	0.645	27%	0.27	S	S	*	.			trans	-155.4	139.6	179.8	-178.9	170.1	179	-166.6	2.4	110.3	D111	R85-D111 CarbonylContact C-O 3.21Å; R85-D111 VanDerWaalsContact CA-O 3.3Å; R85-D111 WeakPolarHBondContact CA-O 3.24Å; R85-D111 HydrophobicContact CB-CB 4.15Å; R85-D111 HydrophobicContact CG-CB 4.13Å
86	T	90.9	Very high	90.6	Very high	6 Å²	6	55.6 Å²	55.6	4%	0.037	27%	0.269	C	S	.	.			trans	-98.7	153.8	168.7	66.4	0	0	0	0	109.8	I65 I83 L90 F106 D111 V112 G113	I65-T86 HydrophobicContact CD1-CG2 3.73Å; I65-T86 HydrophobicContact CG1-CG2 4.38Å; I83-T86 HydrophobicContact CG2-CG2 4.45Å; T86-L90 HydrophobicContact CG2-CD1 4Å; T86-F106 HydrophobicContact CG2-CE1 3.9Å; T86-F106 HydrophobicContact CG2-CZ 3.74Å; T86-D111 PolarHBondContact N-O 2.66Å; T86-D111 PolarHBondContact OG1-O 2.86Å; T86-V112 PolarHBondContact OG1-O 3Å; T86-G113 WeakPolarHBondContact OG1-CA 3.42Å; T86-G113 PolarHBondContact OG1-N 3.12Å
87	S	79.4	Confident	90.6	Very high	72 Å²	72	56.7 Å²	56.7	50%	0.503	28%	0.276	S	S	.	.			trans	-115	-142.9	174.3	-48.2	0	0	0	0	108.5	E89	S87-E89 VanDerWaalsContact C-OE2 3.29Å; S87-E89 VanDerWaalsContact CA-OE2 3.25Å; S87-E89 WeakPolarHBondContact CA-OE2 3.39Å; S87-E89 VanDerWaalsContact CB-OE2 3.22Å; S87-E89 WeakPolarHBondContact CB-OE2 3.48Å; S87-E89 PolarHBondContact N-OE2 3.33Å; S87-E89 PolarHBondContact O-N 3.16Å
88	E	78.3	Confident	90.6	Very high	140 Å²	140	57.3 Å²	57.3	65%	0.654	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	1.2	-178.6	-60.3	175	-174.8	0	0	114	L90 E91	E88-L90 VanDerWaalsContact C-N 3.3Å; E88-L90 PolarHBondContact O-N 3.31Å; E88-E91 PolarHBondContact O-N 3.19Å
89	E	83.2	Confident	90.5	Very high	36 Å²	36	57.3 Å²	57.3	17%	0.168	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-30.9	-176.2	-62.1	96.3	166.2	0	0	113.6	R64 I65 S87	R64-E89 IonicContact CZ-OE1 3.56Å; R64-E89 IonicContact NE-OE1 3.95Å; R64-E89 IonicContact NH2-OE1 3.65Å; R64-E89 PolarHBondContact NH2-OE1 3.31Å; I65-E89 HydrophobicContact CB-CB 4.17Å; I65-E89 HydrophobicContact CB-CG 4.44Å; I65-E89 HydrophobicContact CG2-CB 4.26Å; S87-E89 VanDerWaalsContact C-OE2 3.29Å; S87-E89 VanDerWaalsContact CA-OE2 3.25Å; S87-E89 WeakPolarHBondContact CA-OE2 3.39Å; S87-E89 VanDerWaalsContact CB-OE2 3.22Å; S87-E89 WeakPolarHBondContact CB-OE2 3.48Å; S87-E89 PolarHBondContact N-OE2 3.33Å; S87-E89 PolarHBondContact O-N 3.16Å
90	L	85.9	Confident	90.6	Very high	1 Å²	1	54.7 Å²	54.7	1%	0.005	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-24.7	178.8	-68.4	177.3	0	0	0	113	I65 L76 T86 E88 Q92 L93 L99 V112 M117	I65-L90 HydrophobicContact CD1-CD1 4.28Å; I65-L90 HydrophobicContact CD1-CD2 3.68Å; I65-L90 HydrophobicContact CD1-CG 3.81Å; L76-L90 HydrophobicContact CD2-CD2 4.1Å; T86-L90 HydrophobicContact CG2-CD1 4Å; E88-L90 VanDerWaalsContact C-N 3.3Å; E88-L90 PolarHBondContact O-N 3.31Å; L90-Q92 PolarHBondContact O-N 3.19Å; L90-Q92 VanDerWaalsContact O-N 3.12Å; L90-L93 HydrophobicContact CD2-CD1 4.18Å; L90-L93 PolarHBondContact O-N 3.35Å; L90-L93 VanDerWaalsContact O-N 3.1Å; L90-L99 HydrophobicContact CD1-CD2 4.22Å; L90-L99 HydrophobicContact CD2-CD1 4.46Å; L90-L99 HydrophobicContact CD2-CD2 4.38Å; L90-V112 VanDerWaalsContact CD1-O 3.32Å; L90-V112 WeakPolarHBondContact CD1-O 3.41Å; L90-M117 HydrophobicContact CB-SD 4.46Å
91	E	81.7	Confident	90.6	Very high	96 Å²	96	53 Å²	53	45%	0.449	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-21	-175.1	-62.8	-168.8	165.1	0	0	112.8	E88 F94 T115	E88-E91 PolarHBondContact O-N 3.19Å; E91-F94 WeakPolarHBondContact O-CE1 3.25Å; E91-F94 VanDerWaalsContact O-CZ 3.27Å; E91-F94 WeakPolarHBondContact O-CZ 3.41Å; E91-T115 PolarHBondContact OE1-OG1 3.12Å
92	Q	81.9	Confident	90.6	Very high	121 Å²	121	53.2 Å²	53.2	57%	0.565	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-9.6	-179.5	-58.7	-178.8	5.9	0	0	113.3	L90 F94	L90-Q92 PolarHBondContact O-N 3.19Å; L90-Q92 VanDerWaalsContact O-N 3.12Å; Q92-F94 WeakPolarHBondContact O-CD2 3.34Å; Q92-F94 WeakPolarHBondContact O-CE2 3.28Å; Q92-F94 PolarHBondContact O-N 3.26Å
93	L	87.8	Confident	90.7	Very high	6 Å²	6	50.2 Å²	50.2	3%	0.031	25%	0.247	C	C	.	.			trans	-97.9	63.8	-173.1	-56.8	179.6	0	0	0	111.8	L69 S70 L76 L90 N95 L96	L69-L93 HydrophobicContact CB-CD2 3.89Å; L69-L93 HydrophobicContact CD1-CD1 3.92Å; S70-L93 WeakPolarHBondContact O-CD2 3.47Å; L76-L93 HydrophobicContact CD2-CD1 3.91Å; L90-L93 HydrophobicContact CD2-CD1 4.18Å; L90-L93 PolarHBondContact O-N 3.35Å; L90-L93 VanDerWaalsContact O-N 3.1Å; L93-N95 PolarHBondContact O-N 3.28Å; L93-L96 HydrophobicContact CB-CB 4.21Å; L93-L96 WeakPolarHBondContact O-CB 3.42Å; L93-L96 PolarHBondContact O-N 3.25Å
94	F	85.4	Confident	90.7	Very high	127 Å²	127	50.7 Å²	50.7	56%	0.557	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-24	-174.3	-50.7	-76	0	0	0	114.6	E91 Q92 Q119	E91-F94 WeakPolarHBondContact O-CE1 3.25Å; E91-F94 VanDerWaalsContact O-CZ 3.27Å; E91-F94 WeakPolarHBondContact O-CZ 3.41Å; Q92-F94 WeakPolarHBondContact O-CD2 3.34Å; Q92-F94 WeakPolarHBondContact O-CE2 3.28Å; Q92-F94 PolarHBondContact O-N 3.26Å; F94-Q119 WeakPolarHBondContact O-CG 3.42Å
95	N	89.9	Confident	90.8	Very high	66 Å²	66	51.3 Å²	51.3	35%	0.353	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.5	6.9	-178.1	-71.7	-8.8	0	0	0	113.5	E72 T73 L93 T97	E72-N95 PolarHBondContact OE2-ND2 3.19Å; T73-N95 CarbonylContact O-C 3.06Å; L93-N95 PolarHBondContact O-N 3.28Å; N95-T97 PolarHBondContact O-N 3.18Å
96	L	93.3	Very high	91	Very high	2 Å²	2	43.2 Å²	43.2	1%	0.01	22%	0.216	C	C	.	.			trans	-68.9	120.5	-176.4	-160.5	74.8	0	0	0	111.2	T73 Q74 L76 L93 L99 M117 Q119 L120	T73-L96 HydrophobicContact CG2-CD1 4.03Å; Q74-L96 WeakPolarHBondContact O-CD1 3.45Å; L76-L96 HydrophobicContact CB-CD1 3.7Å; L76-L96 HydrophobicContact CB-CD2 4.39Å; L93-L96 HydrophobicContact CB-CB 4.21Å; L93-L96 WeakPolarHBondContact O-CB 3.42Å; L93-L96 PolarHBondContact O-N 3.25Å; L96-L99 HydrophobicContact CD2-CB 3.87Å; L96-L99 HydrophobicContact CD2-CD1 4.16Å; L96-L99 HydrophobicContact CD2-CD2 4.36Å; L96-L99 HydrophobicContact CD2-CG 4.36Å; L96-M117 HydrophobicContact CB-CE 4.37Å; L96-M117 HydrophobicContact CD2-CE 3.49Å; L96-M117 VanDerWaalsContact CD2-CE 3.49Å; L96-Q119 CarbonylContact O-C 3.29Å; L96-L120 HydrophobicContact CD2-CD1 4.19Å; L96-L120 HydrophobicContact CG-CD1 4.25Å; L96-L120 WeakPolarHBondContact O-CA 3.47Å; L96-L120 PolarHBondContact O-N 3.19Å
97	T	94.8	Very high	91.2	Very high	24 Å²	24	44.9 Å²	44.9	15%	0.147	23%	0.228	C	C	.	.			trans	-101.1	-32.6	178.4	55.5	0	0	0	0	112.3	Q74 N95 T121 T122	Q74-T97 PolarHBondContact O-N 2.98Å; Q74-T97 PolarHBondContact O-OG1 3.23Å; N95-T97 PolarHBondContact O-N 3.18Å; T97-T121 PolarHBondContact O-N 2.67Å; T97-T121 PolarHBondContact O-OG1 3Å; T97-T122 PolarHBondContact O-N 3.22Å; T97-T122 VanDerWaalsContact O-N 3.12Å
98	E	96.3	Very high	91.9	Very high	35 Å²	35	43.3 Å²	43.3	16%	0.164	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	131.4	179.3	-177.3	168.5	129.7	0	0	111.3	W42 Q74 V75 L76 T122	W42-E98 PolarHBondContact NE1-OE2 3.44Å; Q74-E98 PolarHBondContact O-N 2.81Å; V75-E98 WeakPolarHBondContact CA-O 3.07Å; V75-E98 HydrophobicContact CG1-CB 4.18Å; V75-E98 HydrophobicContact CG1-CG 4.34Å; V75-E98 HydrophobicContact CG2-CB 4.17Å; L76-E98 PolarHBondContact N-O 2.97Å; E98-T122 WeakPolarHBondContact CA-O 3.37Å; E98-T122 HydrophobicContact CG-CG2 4.09Å
99	L	96.5	Very high	92.7	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	117.7	178.1	177.8	57.9	0	0	0	109.5	L76 L90 L96 L101 L114 M117 L120 T122 L123 H124	L76-L99 HydrophobicContact CB-CD1 4.09Å; L76-L99 HydrophobicContact CD2-CD1 3.93Å; L76-L99 HydrophobicContact CG-CD1 4.09Å; L90-L99 HydrophobicContact CD1-CD2 4.22Å; L90-L99 HydrophobicContact CD2-CD1 4.46Å; L90-L99 HydrophobicContact CD2-CD2 4.38Å; L96-L99 HydrophobicContact CD2-CB 3.87Å; L96-L99 HydrophobicContact CD2-CD1 4.16Å; L96-L99 HydrophobicContact CD2-CD2 4.36Å; L96-L99 HydrophobicContact CD2-CG 4.36Å; L99-L101 HydrophobicContact CD1-CD1 4.2Å; L99-L101 HydrophobicContact CD1-CD2 4.49Å; L99-L101 HydrophobicContact CD1-CG 3.96Å; L99-L101 HydrophobicContact CD2-CD1 3.77Å; L99-L101 HydrophobicContact CD2-CG 4.37Å; L99-L101 HydrophobicContact CG-CD1 3.95Å; L99-L101 HydrophobicContact CG-CG 4Å; L99-L114 HydrophobicContact CD2-CD2 3.98Å; L99-M117 HydrophobicContact CD2-CE 4.13Å; L99-L120 HydrophobicContact CB-CD1 3.8Å; L99-L120 HydrophobicContact CB-CD2 4.48Å; L99-T122 PolarHBondContact N-O 2.9Å; L99-T122 VanDerWaalsContact N-O 3.12Å; L99-L123 HydrophobicContact CB-CD1 4.13Å; L99-L123 HydrophobicContact CD2-CD1 4.07Å; L99-L123 HydrophobicContact CG-CD1 4.13Å; L99-H124 PolarHBondContact O-N 3.25Å
100	D	97.8	Very high	93.1	Very high	16 Å²	16	43.7 Å²	43.7	9%	0.086	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	109.6	174.2	-173.5	-4.8	0	0	0	111	L76 L77 L78 S102 H124	L76-D100 PolarHBondContact O-N 3.18Å; L77-D100 HydrophobicContact CD2-CB 3.9Å; L78-D100 CarbonylContact C-O 3.34Å; L78-D100 WeakPolarHBondContact CA-O 3.07Å; L78-D100 WeakPolarHBondContact CB-O 3.45Å; L78-D100 PolarHBondContact N-O 3.12Å; D100-S102 WeakPolarHBondContact OD1-CB 3.48Å; D100-S102 PolarHBondContact OD1-N 3.1Å; D100-S102 PolarHBondContact OD1-OG 3.28Å; D100-H124 HydrophobicContact CB-CB 4.29Å; D100-H124 WeakPolarHBondContact OD1-CB 3.45Å
101	L	97.6	Very high	93.4	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.22	C	C	.	.			trans	-118.8	24.5	174.8	-71.6	169.7	0	0	0	111	L78 L99 N104 F106 V112 H124 L125 N128	L78-L101 HydrophobicContact CB-CD2 3.82Å; L78-L101 HydrophobicContact CD1-CD2 3.74Å; L78-L101 HydrophobicContact CG-CD2 4.45Å; L99-L101 HydrophobicContact CD1-CD1 4.2Å; L99-L101 HydrophobicContact CD1-CD2 4.49Å; L99-L101 HydrophobicContact CD1-CG 3.96Å; L99-L101 HydrophobicContact CD2-CD1 3.77Å; L99-L101 HydrophobicContact CD2-CG 4.37Å; L99-L101 HydrophobicContact CG-CD1 3.95Å; L99-L101 HydrophobicContact CG-CG 4Å; L101-N104 PolarHBondContact O-ND2 3.19Å; L101-F106 HydrophobicContact CB-CE2 4.02Å; L101-F106 HydrophobicContact CD1-CE2 4.1Å; L101-F106 HydrophobicContact CD1-CZ 4.2Å; L101-F106 HydrophobicContact CD2-CE2 4Å; L101-F106 HydrophobicContact CD2-CZ 4.24Å; L101-F106 HydrophobicContact CG-CE2 4.28Å; L101-V112 HydrophobicContact CD1-CG1 3.6Å; L101-H124 CarbonylContact C-O 3.13Å; L101-H124 WeakPolarHBondContact CA-O 3.37Å; L101-H124 PolarHBondContact N-O 2.86Å; L101-L125 HydrophobicContact CB-CD2 3.95Å; L101-L125 HydrophobicContact CD1-CD2 4.36Å; L101-N128 PolarHBondContact O-ND2 3.31Å
102	S	98.1	Very high	94	Very high	11 Å²	11	41 Å²	41	8%	0.077	20%	0.199	C	C	.	.			trans	-62.8	155.2	177.4	63.7	0	0	0	0	112	Q79 S80 D100 N104 H124 E126	Q79-S102 WeakPolarHBondContact CA-O 3.45Å; Q79-S102 WeakPolarHBondContact CB-OG 3.32Å; S80-S102 PolarHBondContact N-O 3.29Å; S80-S102 VanDerWaalsContact N-O 3.17Å; D100-S102 WeakPolarHBondContact OD1-CB 3.48Å; D100-S102 PolarHBondContact OD1-N 3.1Å; D100-S102 PolarHBondContact OD1-OG 3.28Å; S102-N104 PolarHBondContact O-N 2.97Å; S102-N104 PolarHBondContact O-ND2 3.29Å; S102-H124 PolarHBondContact N-O 2.89Å; S102-E126 CarbonylContact C-O 3.6Å; S102-E126 WeakPolarHBondContact CA-O 3.49Å
103	Q	98	Very high	94.3	Very high	78 Å²	78	36.1 Å²	36.1	36%	0.364	18%	0.181	S	C	.	.	S	Bend	trans	53.1	49.5	178.2	-60.7	177.1	31.6	0	0	113.2	S80 N81 E126 E127	S80-Q103 VanDerWaalsContact CA-O 3.3Å; S80-Q103 WeakPolarHBondContact CA-O 3.39Å; S80-Q103 PolarHBondContact N-O 3.24Å; S80-Q103 PolarHBondContact OG-OE1 2.78Å; N81-Q103 PolarHBondContact N-O 2.84Å; Q103-E126 PolarHBondContact N-O 2.03Å; Q103-E127 WeakPolarHBondContact CA-O 3.25Å; Q103-E127 HydrophobicContact CB-CB 4.43Å; Q103-E127 HydrophobicContact CG-CB 3.68Å; Q103-E127 HydrophobicContact CG-CG 4.28Å; Q103-E127 WeakPolarHBondContact CG-OE2 3.45Å
104	N	98.1	Very high	94.3	Very high	10 Å²	10	36.6 Å²	36.6	5%	0.053	18%	0.183	C	C	.	.	S	Bend	trans	-120.6	-165.2	175.7	-87	-84.3	0	0	0	110.4	L78 N81 I83 L101 S102 F106 N128	L78-N104 PolarHBondContact O-ND2 3.27Å; N81-N104 WeakPolarHBondContact CA-OD1 3.41Å; N81-N104 WeakPolarHBondContact CB-OD1 3.28Å; N81-N104 PolarHBondContact O-OD1 2.82Å; I83-N104 VanDerWaalsContact CB-OD1 3.32Å; I83-N104 WeakPolarHBondContact CB-OD1 3.41Å; I83-N104 WeakPolarHBondContact CG1-OD1 3.5Å; I83-N104 PolarHBondContact N-OD1 2.78Å; L101-N104 PolarHBondContact O-ND2 3.19Å; S102-N104 PolarHBondContact O-N 2.97Å; S102-N104 PolarHBondContact O-ND2 3.29Å; N104-F106 HydrophobicContact CB-CD2 3.87Å; N104-F106 HydrophobicContact CB-CE2 3.91Å; N104-N128 VanDerWaalsContact CA-OD1 3.3Å; N104-N128 WeakPolarHBondContact CA-OD1 3.44Å; N104-N128 VanDerWaalsContact CB-OD1 3.24Å; N104-N128 WeakPolarHBondContact CB-OD1 3.47Å; N104-N128 PolarHBondContact N-OD1 3.12Å; N104-N128 PolarHBondContact O-OD1 3.21Å; N104-N128 VanDerWaalsContact O-OD1 3.13Å
105	N	97.5	Very high	94.3	Very high	60 Å²	60	33.5 Å²	33.5	32%	0.321	18%	0.175	S	C	.	.			trans	-118.2	30.7	-174.2	-152.8	87.1	0	0	0	112.9	I83 A84 S107 N128 Q129	I83-N105 CarbonylContact O-C 3.58Å; I83-N105 WeakPolarHBondContact O-CA 3.37Å; I83-N105 PolarHBondContact O-N 2.96Å; A84-N105 HydrophobicContact CB-CB 4.35Å; N105-S107 PolarHBondContact O-N 2.81Å; N105-N128 PolarHBondContact N-OD1 3.34Å; N105-Q129 PolarHBondContact ND2-OE1 3Å; N105-Q129 PolarHBondContact OD1-NE2 3.3Å; N105-Q129 PolarHBondContact OD1-OE1 3.24Å
106	F	97.4	Very high	94	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.187	C	C	.	.			trans	-70.1	126.5	178	-68.9	-75.6	0	0	0	111.2	I83 A84 T86 L101 N104 D111 V112 N128 Q129 I130	I83-F106 HydrophobicContact CB-CE2 4.3Å; I83-F106 HydrophobicContact CB-CZ 4.12Å; I83-F106 HydrophobicContact CG2-CE1 4.13Å; I83-F106 HydrophobicContact CG2-CE2 4.21Å; I83-F106 HydrophobicContact CG2-CZ 3.54Å; A84-F106 VanDerWaalsContact O-CD1 3.32Å; A84-F106 WeakPolarHBondContact O-CD1 3.43Å; T86-F106 HydrophobicContact CG2-CE1 3.9Å; T86-F106 HydrophobicContact CG2-CZ 3.74Å; L101-F106 HydrophobicContact CB-CE2 4.02Å; L101-F106 HydrophobicContact CD1-CE2 4.1Å; L101-F106 HydrophobicContact CD1-CZ 4.2Å; L101-F106 HydrophobicContact CD2-CE2 4Å; L101-F106 HydrophobicContact CD2-CZ 4.24Å; L101-F106 HydrophobicContact CG-CE2 4.28Å; N104-F106 HydrophobicContact CB-CD2 3.87Å; N104-F106 HydrophobicContact CB-CE2 3.91Å; F106-D111 HydrophobicContact CD1-CB 4.16Å; F106-D111 WeakPolarHBondContact CE1-O 3.34Å; F106-V112 HydrophobicContact CB-CG2 4.35Å; F106-V112 HydrophobicContact CD1-CG2 3.88Å; F106-V112 HydrophobicContact CE1-CG2 4.31Å; F106-V112 HydrophobicContact CG-CG2 4.02Å; F106-N128 HydrophobicContact CB-CB 4.41Å; F106-N128 VanDerWaalsContact CD2-OD1 3.3Å; F106-N128 WeakPolarHBondContact CD2-OD1 3.46Å; F106-N128 PolarHBondContact N-OD1 2.95Å; F106-N128 VanDerWaalsContact N-OD1 3.1Å; F106-Q129 CarbonylContact O-C 3.29Å; F106-Q129 VanDerWaalsContact O-CA 3.27Å; F106-Q129 WeakPolarHBondContact O-CA 3.45Å; F106-Q129 WeakPolarHBondContact O-CB 3.33Å; F106-Q129 PolarHBondContact O-N 2.78Å; F106-I130 HydrophobicContact CB-CG1 4.35Å; F106-I130 PolarHBondContact O-N 3.15Å
107	S	95.8	Very high	93.8	Very high	41 Å²	41	36.2 Å²	36.2	29%	0.287	19%	0.189	S	C	.	.			trans	-99.3	-24.3	178.9	-62.1	0	0	0	0	113.6	N105 I130 M131	N105-S107 PolarHBondContact O-N 2.81Å; S107-I130 WeakPolarHBondContact O-CA 3.26Å; S107-M131 PolarHBondContact O-N 3.45Å
108	T	95.6	Very high	93.6	Very high	39 Å²	39	37.1 Å²	37.1	24%	0.239	20%	0.196	C	C	.	.	S	Bend	trans	-137	152.8	176.1	79.1	0	0	0	0	110.7	R110 D111	T108-R110 PolarHBondContact O-N 3.43Å; T108-R110 PolarHBondContact OG1-N 3.38Å; T108-D111 WeakPolarHBondContact CB-OD2 3.36Å; T108-D111 PolarHBondContact N-OD2 3.18Å; T108-D111 PolarHBondContact O-N 3.32Å; T108-D111 PolarHBondContact OG1-N 3.12Å; T108-D111 PolarHBondContact OG1-OD2 3.09Å
109	I	94.3	Very high	93.4	Very high	3 Å²	3	40 Å²	40	2%	0.015	21%	0.21	C	C	.	.	G	3₁₀ helix	trans	-63	-30.9	175	-67.1	-179.5	0	0	0	111.5	D111 V112 I130 M133 C137 L138 I149	I109-D111 VanDerWaalsContact C-N 3.25Å; I109-D111 PolarHBondContact O-N 3.27Å; I109-V112 VanDerWaalsContact O-CB 3.29Å; I109-V112 WeakPolarHBondContact O-CB 3.01Å; I109-V112 WeakPolarHBondContact O-CG2 3.31Å; I109-V112 PolarHBondContact O-N 3.09Å; I109-V112 VanDerWaalsContact O-N 3.09Å; I109-I130 HydrophobicContact CG1-CD1 4.27Å; I109-I130 HydrophobicContact CG1-CG2 3.94Å; I109-M133 HydrophobicContact CD1-CB 4.19Å; I109-M133 HydrophobicContact CD1-CE 3.4Å; I109-M133 VanDerWaalsContact CD1-CE 3.4Å; I109-M133 HydrophobicContact CD1-CG 3.65Å; I109-M133 HydrophobicContact CD1-SD 4.23Å; I109-C137 HydrophobicContact CB-CB 4.33Å; I109-C137 HydrophobicContact CG2-CB 3.91Å; I109-L138 HydrophobicContact CG2-CD2 3.73Å; I109-L138 HydrophobicContact CG2-CG 4.36Å; I109-I149 HydrophobicContact CD1-CD1 3.92Å; I109-I149 HydrophobicContact CG1-CD1 4.33Å
110	R	91.5	Very high	93.3	Very high	182 Å²	182	40 Å²	40	69%	0.687	21%	0.21	S	C	*	.	G	3₁₀ helix	trans	-64.5	-32.1	178.3	-67.7	-177.1	179.5	158.9	1.4	112.3	T108 V112 G113	T108-R110 PolarHBondContact O-N 3.43Å; T108-R110 PolarHBondContact OG1-N 3.38Å; R110-V112 PolarHBondContact O-N 2.95Å; R110-G113 PolarHBondContact O-N 3.12Å
111	D	92.6	Very high	93.2	Very high	40 Å²	40	40.1 Å²	40.1	21%	0.214	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	-70.1	-15.1	177.2	-62.5	-48	0	0	0	112.6	R85 T86 F106 T108 I109 G113	R85-D111 CarbonylContact C-O 3.21Å; R85-D111 VanDerWaalsContact CA-O 3.3Å; R85-D111 WeakPolarHBondContact CA-O 3.24Å; R85-D111 HydrophobicContact CB-CB 4.15Å; R85-D111 HydrophobicContact CG-CB 4.13Å; T86-D111 PolarHBondContact N-O 2.66Å; T86-D111 PolarHBondContact OG1-O 2.86Å; F106-D111 HydrophobicContact CD1-CB 4.16Å; F106-D111 WeakPolarHBondContact CE1-O 3.34Å; T108-D111 WeakPolarHBondContact CB-OD2 3.36Å; T108-D111 PolarHBondContact N-OD2 3.18Å; T108-D111 PolarHBondContact O-N 3.32Å; T108-D111 PolarHBondContact OG1-N 3.12Å; T108-D111 PolarHBondContact OG1-OD2 3.09Å; I109-D111 VanDerWaalsContact C-N 3.25Å; I109-D111 PolarHBondContact O-N 3.27Å; D111-G113 VanDerWaalsContact C-N 3.31Å
112	V	92.8	Very high	93.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.212	C	C	.	.	G	3₁₀ helix	trans	-75.4	-20.7	176.3	-169.8	0	0	0	0	112	T86 L90 L101 F106 I109 R110 L114 L125	T86-V112 PolarHBondContact OG1-O 3Å; L90-V112 VanDerWaalsContact CD1-O 3.32Å; L90-V112 WeakPolarHBondContact CD1-O 3.41Å; L101-V112 HydrophobicContact CD1-CG1 3.6Å; F106-V112 HydrophobicContact CB-CG2 4.35Å; F106-V112 HydrophobicContact CD1-CG2 3.88Å; F106-V112 HydrophobicContact CE1-CG2 4.31Å; F106-V112 HydrophobicContact CG-CG2 4.02Å; I109-V112 VanDerWaalsContact O-CB 3.29Å; I109-V112 WeakPolarHBondContact O-CB 3.01Å; I109-V112 WeakPolarHBondContact O-CG2 3.31Å; I109-V112 PolarHBondContact O-N 3.09Å; I109-V112 VanDerWaalsContact O-N 3.09Å; R110-V112 PolarHBondContact O-N 2.95Å; V112-L114 HydrophobicContact CB-CD1 4.13Å; V112-L114 HydrophobicContact CB-CG 4Å; V112-L114 HydrophobicContact CG1-CD1 3.81Å; V112-L114 HydrophobicContact CG1-CD2 3.75Å; V112-L114 HydrophobicContact CG1-CG 3.62Å; V112-L125 HydrophobicContact CG1-CD2 3.93Å; V112-L125 HydrophobicContact CG2-CD1 4.48Å; V112-L125 HydrophobicContact CG2-CD2 3.96Å
113	G	88.8	Confident	93.2	Very high	18 Å²	18	39.8 Å²	39.8	19%	0.186	21%	0.209	C	C	.	.			trans	67	42.8	172.6	0	0	0	0	0	114.7	T86 R110 D111 T115	T86-G113 WeakPolarHBondContact OG1-CA 3.42Å; T86-G113 PolarHBondContact OG1-N 3.12Å; R110-G113 PolarHBondContact O-N 3.12Å; D111-G113 VanDerWaalsContact C-N 3.31Å; G113-T115 VanDerWaalsContact C-N 3.25Å; G113-T115 PolarHBondContact O-N 3.31Å; G113-T115 VanDerWaalsContact O-N 3.1Å
114	L	88.9	Confident	93.2	Very high	16 Å²	16	37.5 Å²	37.5	8%	0.084	20%	0.198	C	C	.	.			trans	-85.1	44.2	-174.4	-60.7	169.4	0	0	0	113.7	L99 V112 M117 L123 L138 L141	L99-L114 HydrophobicContact CD2-CD2 3.98Å; V112-L114 HydrophobicContact CB-CD1 4.13Å; V112-L114 HydrophobicContact CB-CG 4Å; V112-L114 HydrophobicContact CG1-CD1 3.81Å; V112-L114 HydrophobicContact CG1-CD2 3.75Å; V112-L114 HydrophobicContact CG1-CG 3.62Å; L114-M117 HydrophobicContact CB-SD 4.39Å; L114-M117 HydrophobicContact CD2-SD 3.59Å; L114-M117 VanDerWaalsContact CD2-SD 3.59Å; L114-L123 HydrophobicContact CD1-CD2 3.59Å; L114-L123 HydrophobicContact CD2-CD1 4.39Å; L114-L123 HydrophobicContact CD2-CD2 4.41Å; L114-L138 HydrophobicContact CD1-CD2 3.75Å; L114-L141 HydrophobicContact CB-CD2 4.37Å; L114-L141 HydrophobicContact CD1-CD1 4.16Å
115	T	85.1	Confident	93.2	Very high	62 Å²	62	37 Å²	37	38%	0.38	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81	133.7	-178.4	45.9	0	0	0	0	111.2	E91 G113 M117	E91-T115 PolarHBondContact OE1-OG1 3.12Å; G113-T115 VanDerWaalsContact C-N 3.25Å; G113-T115 PolarHBondContact O-N 3.31Å; G113-T115 VanDerWaalsContact O-N 3.1Å; T115-M117 WeakPolarHBondContact O-CG 3.23Å; T115-M117 PolarHBondContact O-N 3.34Å; T115-M117 VanDerWaalsContact O-N 3.09Å
116	N	84.1	Confident	93.2	Very high	113 Å²	113	36.4 Å²	36.4	60%	0.604	19%	0.19	S	C	*	.	T	Hydrogen-bonded Turn	trans	58	21.9	173	-160.9	34.5	0	0	0	116.5	S118 D140	N116-S118 VanDerWaalsContact C-N 3.27Å; N116-S118 PolarHBondContact O-N 3.31Å; N116-D140 PolarHBondContact N-OD2 3.48Å; N116-D140 VanDerWaalsContact N-OD2 3.12Å
117	M	88.5	Confident	93.3	Very high	13 Å²	13	41.1 Å²	41.1	6%	0.064	21%	0.212	C	C	.	.			trans	-85.9	57.3	-178.4	-58.9	-174.2	74.1	0	0	112.8	L90 L96 L99 L114 T115 Q119 L120 L141	L90-M117 HydrophobicContact CB-SD 4.46Å; L96-M117 HydrophobicContact CB-CE 4.37Å; L96-M117 HydrophobicContact CD2-CE 3.49Å; L96-M117 VanDerWaalsContact CD2-CE 3.49Å; L99-M117 HydrophobicContact CD2-CE 4.13Å; L114-M117 HydrophobicContact CB-SD 4.39Å; L114-M117 HydrophobicContact CD2-SD 3.59Å; L114-M117 VanDerWaalsContact CD2-SD 3.59Å; T115-M117 WeakPolarHBondContact O-CG 3.23Å; T115-M117 PolarHBondContact O-N 3.34Å; T115-M117 VanDerWaalsContact O-N 3.09Å; M117-Q119 VanDerWaalsContact C-N 3.28Å; M117-Q119 PolarHBondContact O-N 3.14Å; M117-L120 HydrophobicContact CB-CB 4.4Å; M117-L120 HydrophobicContact CE-CD1 4.39Å; M117-L120 HydrophobicContact CE-CD2 4.48Å; M117-L120 WeakPolarHBondContact O-CB 3.34Å; M117-L120 PolarHBondContact O-N 2.75Å; M117-L141 HydrophobicContact CB-CD2 3.71Å
118	S	89.5	Confident	93.4	Very high	43 Å²	43	39.4 Å²	39.4	30%	0.301	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-21.4	-171.9	64.4	0	0	0	0	115.1	N116 N143	N116-S118 VanDerWaalsContact C-N 3.27Å; N116-S118 PolarHBondContact O-N 3.31Å; S118-N143 VanDerWaalsContact O-CB 3.28Å; S118-N143 WeakPolarHBondContact O-CB 3.32Å; S118-N143 PolarHBondContact O-ND2 3.13Å
119	Q	92.4	Very high	93.5	Very high	95 Å²	95	41.1 Å²	41.1	44%	0.444	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-10.3	179.9	-62.8	-56	-59.4	0	0	113.7	F94 L96 M117 T121	F94-Q119 WeakPolarHBondContact O-CG 3.42Å; L96-Q119 CarbonylContact O-C 3.29Å; M117-Q119 VanDerWaalsContact C-N 3.28Å; M117-Q119 PolarHBondContact O-N 3.14Å; Q119-T121 PolarHBondContact O-N 2.72Å
120	L	95.2	Very high	93.7	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.205	C	C	.	.			trans	-67	122.9	-175.1	-163.7	73.1	0	0	0	110.3	L96 L99 M117 L123 L141 N143 L144	L96-L120 HydrophobicContact CD2-CD1 4.19Å; L96-L120 HydrophobicContact CG-CD1 4.25Å; L96-L120 WeakPolarHBondContact O-CA 3.47Å; L96-L120 PolarHBondContact O-N 3.19Å; L99-L120 HydrophobicContact CB-CD1 3.8Å; L99-L120 HydrophobicContact CB-CD2 4.48Å; M117-L120 HydrophobicContact CB-CB 4.4Å; M117-L120 HydrophobicContact CE-CD1 4.39Å; M117-L120 HydrophobicContact CE-CD2 4.48Å; M117-L120 WeakPolarHBondContact O-CB 3.34Å; M117-L120 PolarHBondContact O-N 2.75Å; L120-L123 HydrophobicContact CD2-CB 4.03Å; L120-L123 HydrophobicContact CD2-CD1 4.28Å; L120-L123 HydrophobicContact CD2-CD2 4.46Å; L120-L123 HydrophobicContact CD2-CG 4.49Å; L120-L141 HydrophobicContact CB-CD2 4.47Å; L120-L141 HydrophobicContact CD2-CD2 4.16Å; L120-N143 CarbonylContact O-C 3.58Å; L120-N143 VanDerWaalsContact O-C 3.3Å; L120-L144 HydrophobicContact CD2-CD1 4.14Å; L120-L144 HydrophobicContact CG-CD1 4.13Å; L120-L144 VanDerWaalsContact O-CA 3.28Å; L120-L144 WeakPolarHBondContact O-CA 3.44Å; L120-L144 PolarHBondContact O-N 3.04Å
121	T	96.2	Very high	93.9	Very high	18 Å²	18	37.2 Å²	37.2	11%	0.11	20%	0.196	C	C	.	.			trans	-103	-30.2	177.4	58.8	0	0	0	0	112.3	T97 Q119 Q145 E146	T97-T121 PolarHBondContact O-N 2.67Å; T97-T121 PolarHBondContact O-OG1 3Å; Q119-T121 PolarHBondContact O-N 2.72Å; T121-Q145 PolarHBondContact O-N 3.42Å; T121-E146 PolarHBondContact O-N 3.1Å
122	T	97.3	Very high	94.1	Very high	4 Å²	4	39.8 Å²	39.8	3%	0.025	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	129.2	-174.8	-54.4	0	0	0	0	110.3	T97 E98 L99 H124 E146 Y148	T97-T122 PolarHBondContact O-N 3.22Å; T97-T122 VanDerWaalsContact O-N 3.12Å; E98-T122 WeakPolarHBondContact CA-O 3.37Å; E98-T122 HydrophobicContact CG-CG2 4.09Å; L99-T122 PolarHBondContact N-O 2.9Å; L99-T122 VanDerWaalsContact N-O 3.12Å; T122-H124 VanDerWaalsContact CG2-NE2 3.28Å; T122-H124 WeakPolarHBondContact CG2-NE2 3.37Å; T122-E146 HydrophobicContact CG2-CB 4.19Å; T122-Y148 HydrophobicContact CG2-CE2 4.16Å
123	L	97.8	Very high	94.3	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	121.3	178.2	177	59.5	0	0	0	111	L99 L114 L120 L125 L141 L144 E146 L147 Y148	L99-L123 HydrophobicContact CB-CD1 4.13Å; L99-L123 HydrophobicContact CD2-CD1 4.07Å; L99-L123 HydrophobicContact CG-CD1 4.13Å; L114-L123 HydrophobicContact CD1-CD2 3.59Å; L114-L123 HydrophobicContact CD2-CD1 4.39Å; L114-L123 HydrophobicContact CD2-CD2 4.41Å; L120-L123 HydrophobicContact CD2-CB 4.03Å; L120-L123 HydrophobicContact CD2-CD1 4.28Å; L120-L123 HydrophobicContact CD2-CD2 4.46Å; L120-L123 HydrophobicContact CD2-CG 4.49Å; L123-L125 HydrophobicContact CD1-CD1 4.46Å; L123-L125 HydrophobicContact CD1-CD2 4.48Å; L123-L125 HydrophobicContact CD1-CG 4.12Å; L123-L125 HydrophobicContact CD2-CD1 3.89Å; L123-L125 HydrophobicContact CD2-CG 4.38Å; L123-L125 HydrophobicContact CG-CD1 4.11Å; L123-L125 HydrophobicContact CG-CG 4.06Å; L123-L141 HydrophobicContact CD2-CD1 4.05Å; L123-L144 HydrophobicContact CB-CD1 3.87Å; L123-E146 PolarHBondContact N-O 3.16Å; L123-L147 HydrophobicContact CB-CD1 4.18Å; L123-L147 HydrophobicContact CD2-CD1 3.91Å; L123-L147 HydrophobicContact CG-CD1 4.11Å; L123-Y148 PolarHBondContact O-N 2.89Å
124	H	98.4	Very high	94.7	Very high	31 Å²	31	39.9 Å²	39.9	14%	0.144	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	121.5	173.1	-54.4	-96.2	0	0	0	111.2	L99 D100 L101 S102 T122 E126 Y148	L99-H124 PolarHBondContact O-N 3.25Å; D100-H124 HydrophobicContact CB-CB 4.29Å; D100-H124 WeakPolarHBondContact OD1-CB 3.45Å; L101-H124 CarbonylContact C-O 3.13Å; L101-H124 WeakPolarHBondContact CA-O 3.37Å; L101-H124 PolarHBondContact N-O 2.86Å; S102-H124 PolarHBondContact N-O 2.89Å; T122-H124 VanDerWaalsContact CG2-NE2 3.28Å; T122-H124 WeakPolarHBondContact CG2-NE2 3.37Å; H124-E126 IonicContact ND1-OE1 2.77Å; H124-E126 PolarHBondContact ND1-OE1 2.77Å; H124-Y148 AromaticContact CE1-CD2 3.33Å; H124-Y148 WeakPolarHBondContact CE1-CD2 3.48Å; H124-Y148 AromaticContact CE1-CE2 3.4Å; H124-Y148 WeakPolarHBondContact CE1-CE2 3.5Å; H124-Y148 AromaticContact ND1-CD2 3.27Å; H124-Y148 VanDerWaalsContact ND1-CD2 3.27Å; H124-Y148 WeakPolarHBondContact ND1-CD2 3.1Å; H124-Y148 AromaticContact ND1-CE2 3.84Å; H124-Y148 AromaticContact ND1-CG 3.7Å
125	L	98.1	Very high	95.1	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.217	C	C	.	.			trans	-130.7	19.4	176.6	-69.7	172.7	0	0	0	111.4	L101 V112 L123 N128 I130 Y148 I149 N152	L101-L125 HydrophobicContact CB-CD2 3.95Å; L101-L125 HydrophobicContact CD1-CD2 4.36Å; V112-L125 HydrophobicContact CG1-CD2 3.93Å; V112-L125 HydrophobicContact CG2-CD1 4.48Å; V112-L125 HydrophobicContact CG2-CD2 3.96Å; L123-L125 HydrophobicContact CD1-CD1 4.46Å; L123-L125 HydrophobicContact CD1-CD2 4.48Å; L123-L125 HydrophobicContact CD1-CG 4.12Å; L123-L125 HydrophobicContact CD2-CD1 3.89Å; L123-L125 HydrophobicContact CD2-CG 4.38Å; L123-L125 HydrophobicContact CG-CD1 4.11Å; L123-L125 HydrophobicContact CG-CG 4.06Å; L125-N128 PolarHBondContact O-ND2 2.8Å; L125-N128 VanDerWaalsContact O-ND2 3.16Å; L125-I130 HydrophobicContact CB-CD1 4.3Å; L125-I130 HydrophobicContact CD1-CD1 4.31Å; L125-Y148 CarbonylContact C-O 3.14Å; L125-Y148 WeakPolarHBondContact CA-O 3.35Å; L125-Y148 PolarHBondContact N-O 2.89Å; L125-I149 HydrophobicContact CB-CG1 4.08Å; L125-I149 HydrophobicContact CD1-CD1 4.33Å; L125-N152 PolarHBondContact O-ND2 3.1Å
126	E	97.9	Very high	95.6	Very high	46 Å²	46	44.8 Å²	44.8	22%	0.215	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.3	152	-178.7	-46.1	-177.1	-147.3	0	0	111.5	S102 Q103 H124 N128 Y148 N150	S102-E126 CarbonylContact C-O 3.6Å; S102-E126 WeakPolarHBondContact CA-O 3.49Å; Q103-E126 PolarHBondContact N-O 2.03Å; H124-E126 IonicContact ND1-OE1 2.77Å; H124-E126 PolarHBondContact ND1-OE1 2.77Å; E126-N128 VanDerWaalsContact C-N 3.3Å; E126-N128 PolarHBondContact O-N 2.69Å; E126-N128 PolarHBondContact O-ND2 3.04Å; E126-N128 VanDerWaalsContact O-ND2 3.17Å; E126-Y148 VanDerWaalsContact CG-CB 3.5Å; E126-Y148 WeakPolarHBondContact OE1-CB 3.38Å; E126-N150 VanDerWaalsContact CA-O 3.31Å; E126-N150 WeakPolarHBondContact CA-O 3.43Å; E126-N150 VanDerWaalsContact CG-OD1 3.31Å; E126-N150 WeakPolarHBondContact CG-OD1 3.45Å; E126-N150 PolarHBondContact OE2-ND2 3.41Å; E126-N150 PolarHBondContact OE2-OD1 3Å
127	E	97.9	Very high	96.1	Very high	99 Å²	99	40.6 Å²	40.6	46%	0.463	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	42	175.1	-63.1	-171.6	-150.1	0	0	113.8	Q103 N150 H151	Q103-E127 WeakPolarHBondContact CA-O 3.25Å; Q103-E127 HydrophobicContact CB-CB 4.43Å; Q103-E127 HydrophobicContact CG-CB 3.68Å; Q103-E127 HydrophobicContact CG-CG 4.28Å; Q103-E127 WeakPolarHBondContact CG-OE2 3.45Å; E127-N150 PolarHBondContact N-O 3.01Å; E127-H151 VanDerWaalsContact CA-O 3.3Å; E127-H151 WeakPolarHBondContact CA-O 3.29Å; E127-H151 HydrophobicContact CG-CB 3.72Å; E127-H151 PolarHBondContact N-O 2.7Å
128	N	98.3	Very high	96.4	Very high	6 Å²	6	40.1 Å²	40.1	3%	0.032	20%	0.198	C	C	.	.	S	Bend	trans	-108.1	-165.5	171.1	-84.9	-84.4	0	0	0	110.5	L101 N104 N105 F106 L125 E126 I130 N152	L101-N128 PolarHBondContact O-ND2 3.31Å; N104-N128 VanDerWaalsContact CA-OD1 3.3Å; N104-N128 WeakPolarHBondContact CA-OD1 3.44Å; N104-N128 VanDerWaalsContact CB-OD1 3.24Å; N104-N128 WeakPolarHBondContact CB-OD1 3.47Å; N104-N128 PolarHBondContact N-OD1 3.12Å; N104-N128 PolarHBondContact O-OD1 3.21Å; N104-N128 VanDerWaalsContact O-OD1 3.13Å; N105-N128 PolarHBondContact N-OD1 3.34Å; F106-N128 HydrophobicContact CB-CB 4.41Å; F106-N128 VanDerWaalsContact CD2-OD1 3.3Å; F106-N128 WeakPolarHBondContact CD2-OD1 3.46Å; F106-N128 PolarHBondContact N-OD1 2.95Å; F106-N128 VanDerWaalsContact N-OD1 3.1Å; L125-N128 PolarHBondContact O-ND2 2.8Å; L125-N128 VanDerWaalsContact O-ND2 3.16Å; E126-N128 VanDerWaalsContact C-N 3.3Å; E126-N128 PolarHBondContact O-N 2.69Å; E126-N128 PolarHBondContact O-ND2 3.04Å; E126-N128 VanDerWaalsContact O-ND2 3.17Å; N128-I130 HydrophobicContact CB-CD1 4.47Å; N128-I130 HydrophobicContact CB-CG1 4.27Å; N128-N152 WeakPolarHBondContact CA-OD1 3.09Å; N128-N152 WeakPolarHBondContact CB-OD1 3.47Å; N128-N152 PolarHBondContact O-OD1 3.05Å
129	Q	97.6	Very high	96.6	Very high	75 Å²	75	42.8 Å²	42.8	35%	0.35	21%	0.205	S	C	.	.			trans	-115.6	24.7	-178.2	-64.8	172	4.8	0	0	112.3	N105 F106 M131 N152	N105-Q129 PolarHBondContact ND2-OE1 3Å; N105-Q129 PolarHBondContact OD1-NE2 3.3Å; N105-Q129 PolarHBondContact OD1-OE1 3.24Å; F106-Q129 CarbonylContact O-C 3.29Å; F106-Q129 VanDerWaalsContact O-CA 3.27Å; F106-Q129 WeakPolarHBondContact O-CA 3.45Å; F106-Q129 WeakPolarHBondContact O-CB 3.33Å; F106-Q129 PolarHBondContact O-N 2.78Å; Q129-M131 PolarHBondContact O-N 3.15Å; Q129-N152 PolarHBondContact N-OD1 2.96Å
130	I	98.1	Very high	96.5	Very high	0 Å²	0	41.9 Å²	41.9	0%	0	20%	0.204	C	C	.	.			trans	-66.4	126.9	-173.2	-59.6	171.6	0	0	0	110.1	F106 S107 I109 L125 N128 I149 N152 H153 I154	F106-I130 HydrophobicContact CB-CG1 4.35Å; F106-I130 PolarHBondContact O-N 3.15Å; S107-I130 WeakPolarHBondContact O-CA 3.26Å; I109-I130 HydrophobicContact CG1-CD1 4.27Å; I109-I130 HydrophobicContact CG1-CG2 3.94Å; L125-I130 HydrophobicContact CB-CD1 4.3Å; L125-I130 HydrophobicContact CD1-CD1 4.31Å; N128-I130 HydrophobicContact CB-CD1 4.47Å; N128-I130 HydrophobicContact CB-CG1 4.27Å; I130-I149 HydrophobicContact CD1-CD1 3.94Å; I130-I149 HydrophobicContact CD1-CG1 4.15Å; I130-N152 HydrophobicContact CB-CB 4.35Å; I130-N152 WeakPolarHBondContact CB-OD1 3.37Å; I130-N152 WeakPolarHBondContact CG1-OD1 3.45Å; I130-N152 PolarHBondContact N-OD1 2.99Å; I130-H153 CarbonylContact O-C 3.56Å; I130-H153 VanDerWaalsContact O-CA 3.24Å; I130-H153 WeakPolarHBondContact O-CA 3.46Å; I130-H153 PolarHBondContact O-N 3.26Å; I130-I154 HydrophobicContact CB-CG1 4.33Å; I130-I154 HydrophobicContact CG2-CD1 4.33Å; I130-I154 HydrophobicContact CG2-CG1 4.04Å; I130-I154 WeakPolarHBondContact O-CG1 3.4Å; I130-I154 PolarHBondContact O-N 3.04Å
131	M	97.3	Very high	96.5	Very high	103 Å²	103	41.9 Å²	41.9	51%	0.507	20%	0.204	S	C	.	.			trans	-101.5	-25.4	-173.5	-64.8	-176.1	-70.8	0	0	115	S107 Q129 H153 I154 S155	S107-M131 PolarHBondContact O-N 3.45Å; Q129-M131 PolarHBondContact O-N 3.15Å; M131-H153 HydrophobicContact CG-CB 4.35Å; M131-I154 WeakPolarHBondContact O-CA 3.42Å; M131-S155 PolarHBondContact O-N 3.06Å; M131-S155 PolarHBondContact O-OG 3.3Å
132	E	96.8	Very high	96.3	Very high	94 Å²	94	42.8 Å²	42.8	44%	0.439	21%	0.21	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	155.1	-174.6	62.1	177.2	-155.7	0	0	112.5	T156	E132-T156 WeakPolarHBondContact CA-O 3.33Å; E132-T156 WeakPolarHBondContact CB-OG1 3.27Å
133	M	97.3	Very high	96.2	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	99.5	170.4	-56.3	-169.4	72.5	0	0	109.9	I109 L138 I149 I154 T156 I157 S158 A161 F162 L173	I109-M133 HydrophobicContact CD1-CB 4.19Å; I109-M133 HydrophobicContact CD1-CE 3.4Å; I109-M133 VanDerWaalsContact CD1-CE 3.4Å; I109-M133 HydrophobicContact CD1-CG 3.65Å; I109-M133 HydrophobicContact CD1-SD 4.23Å; M133-L138 HydrophobicContact CE-CD1 3.76Å; M133-I149 HydrophobicContact CE-CD1 4.3Å; M133-I149 HydrophobicContact SD-CD1 4.39Å; M133-I154 HydrophobicContact CG-CD1 4.13Å; M133-I154 HydrophobicContact CG-CG2 4.16Å; M133-I154 HydrophobicContact SD-CD1 4.17Å; M133-T156 PolarHBondContact N-O 2.91Å; M133-I157 HydrophobicContact CB-CB 4.43Å; M133-I157 HydrophobicContact CB-CG1 4.18Å; M133-I157 HydrophobicContact CB-CG2 4.25Å; M133-I157 HydrophobicContact CG-CG1 4.11Å; M133-I157 HydrophobicContact SD-CD1 4.13Å; M133-I157 HydrophobicContact SD-CG1 4.03Å; M133-S158 WeakPolarHBondContact O-CB 3.47Å; M133-S158 PolarHBondContact O-N 3.21Å; M133-S158 PolarHBondContact O-OG 3.12Å; M133-A161 HydrophobicContact CB-CB 3.95Å; M133-F162 HydrophobicContact CE-CD1 4.25Å; M133-F162 HydrophobicContact CE-CE1 3.57Å; M133-F162 HydrophobicContact CE-CZ 4.09Å; M133-F162 HydrophobicContact SD-CE1 4.04Å; M133-F162 HydrophobicContact SD-CZ 3.94Å; M133-L173 HydrophobicContact SD-CD2 4.47Å
134	P	96.8	Very high	96.2	Very high	20 Å²	20	45.3 Å²	45.3	13%	0.13	22%	0.224	C	C	.	.			trans	-74.8	163.2	178.3	27.2	-28.3	0	0	0	111.8	Y136 C137 S158	P134-Y136 PolarHBondContact O-N 3.36Å; P134-C137 HydrophobicContact CG-CB 3.98Å; P134-C137 WeakPolarHBondContact O-CB 3.24Å; P134-C137 PolarHBondContact O-N 3.08Å; P134-C137 PolarHBondContact O-SG 3.17Å; P134-S158 WeakPolarHBondContact CA-OG 3.43Å
135	D	96.6	Very high	96.1	Very high	67 Å²	67	45.5 Å²	45.5	36%	0.358	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54	138.5	176.2	-77	-25.1	0	0	0	111.5	C137 S158 A159 N160	D135-C137 PolarHBondContact O-N 3.02Å; D135-C137 VanDerWaalsContact O-N 3.15Å; D135-S158 WeakPolarHBondContact OD1-CB 3.3Å; D135-A159 PolarHBondContact OD1-N 3.2Å; D135-N160 HydrophobicContact CB-CB 4.23Å; D135-N160 WeakPolarHBondContact OD1-CA 3.42Å; D135-N160 WeakPolarHBondContact OD1-CB 3.38Å; D135-N160 PolarHBondContact OD1-N 2.86Å
136	Y	95.1	Very high	96.1	Very high	114 Å²	114	46.5 Å²	46.5	45%	0.447	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	15.8	176	-45	-73.5	0	0	0	115.9	P134 L138 Q139 N160	P134-Y136 PolarHBondContact O-N 3.36Å; Y136-L138 PolarHBondContact O-N 3.16Å; Y136-L138 VanDerWaalsContact O-N 3.13Å; Y136-Q139 WeakPolarHBondContact O-CB 3.38Å; Y136-Q139 PolarHBondContact O-N 2.72Å; Y136-N160 HydrophobicContact CD1-CB 4.4Å; Y136-N160 HydrophobicContact CE1-CB 3.9Å; Y136-N160 HydrophobicContact CE2-CB 4.45Å; Y136-N160 PolarHBondContact N-O 3.09Å
137	C	95.1	Very high	96.1	Very high	25 Å²	25	44.3 Å²	44.3	17%	0.169	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-17.4	-176.9	61.8	0	0	0	0	115.2	I109 P134 D135	I109-C137 HydrophobicContact CB-CB 4.33Å; I109-C137 HydrophobicContact CG2-CB 3.91Å; P134-C137 HydrophobicContact CG-CB 3.98Å; P134-C137 WeakPolarHBondContact O-CB 3.24Å; P134-C137 PolarHBondContact O-N 3.08Å; P134-C137 PolarHBondContact O-SG 3.17Å; D135-C137 PolarHBondContact O-N 3.02Å; D135-C137 VanDerWaalsContact O-N 3.15Å
138	L	94.8	Very high	96.2	Very high	3 Å²	3	41.2 Å²	41.2	2%	0.016	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	19.9	179.6	-59.9	172.8	0	0	0	112.3	I109 L114 M133 Y136 D140 L141 L147 L165	I109-L138 HydrophobicContact CG2-CD2 3.73Å; I109-L138 HydrophobicContact CG2-CG 4.36Å; L114-L138 HydrophobicContact CD1-CD2 3.75Å; M133-L138 HydrophobicContact CE-CD1 3.76Å; Y136-L138 PolarHBondContact O-N 3.16Å; Y136-L138 VanDerWaalsContact O-N 3.13Å; L138-D140 VanDerWaalsContact C-N 3.27Å; L138-D140 PolarHBondContact O-N 3.37Å; L138-L141 HydrophobicContact CB-CD1 4.18Å; L138-L141 HydrophobicContact CD2-CD1 3.75Å; L138-L141 PolarHBondContact O-N 2.95Å; L138-L147 HydrophobicContact CD1-CD2 3.68Å; L138-L165 HydrophobicContact CB-CD1 4.18Å; L138-L165 HydrophobicContact CB-CD2 4.09Å; L138-L165 HydrophobicContact CB-CG 4.37Å; L138-L165 HydrophobicContact CD1-CD1 4.01Å; L138-L165 WeakPolarHBondContact O-CD2 3.39Å
139	Q	93.6	Very high	96.1	Very high	98 Å²	98	41 Å²	41	46%	0.458	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-31.6	-168.8	-175.6	173.6	19.2	0	0	114.6	Y136 L141 S163	Y136-Q139 WeakPolarHBondContact O-CB 3.38Å; Y136-Q139 PolarHBondContact O-N 2.72Å; Q139-L141 VanDerWaalsContact C-N 3.29Å; Q139-L141 PolarHBondContact O-N 3.39Å; Q139-S163 VanDerWaalsContact CA-O 3.29Å; Q139-S163 WeakPolarHBondContact CA-O 3.39Å
140	D	91.4	Very high	96.1	Very high	77 Å²	77	37.7 Å²	37.7	41%	0.412	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-12	-176.1	-65.2	-19	0	0	0	113.3	N116 L138 S142	N116-D140 PolarHBondContact N-OD2 3.48Å; N116-D140 VanDerWaalsContact N-OD2 3.12Å; L138-D140 VanDerWaalsContact C-N 3.27Å; L138-D140 PolarHBondContact O-N 3.37Å; D140-S142 PolarHBondContact O-N 3.1Å
141	L	94	Very high	96.1	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.205	C	C	.	.			trans	-85.6	53.1	-174.8	-52.4	-178.4	0	0	0	112.6	L114 M117 L120 L123 L138 Q139 N143 L144 L165	L114-L141 HydrophobicContact CB-CD2 4.37Å; L114-L141 HydrophobicContact CD1-CD1 4.16Å; M117-L141 HydrophobicContact CB-CD2 3.71Å; L120-L141 HydrophobicContact CB-CD2 4.47Å; L120-L141 HydrophobicContact CD2-CD2 4.16Å; L123-L141 HydrophobicContact CD2-CD1 4.05Å; L138-L141 HydrophobicContact CB-CD1 4.18Å; L138-L141 HydrophobicContact CD2-CD1 3.75Å; L138-L141 PolarHBondContact O-N 2.95Å; Q139-L141 VanDerWaalsContact C-N 3.29Å; Q139-L141 PolarHBondContact O-N 3.39Å; L141-N143 VanDerWaalsContact C-N 3.31Å; L141-N143 PolarHBondContact O-N 3.05Å; L141-L144 HydrophobicContact CB-CB 3.99Å; L141-L144 HydrophobicContact CB-CD2 4.33Å; L141-L144 HydrophobicContact CD1-CD2 4.01Å; L141-L144 VanDerWaalsContact O-CB 3.25Å; L141-L144 WeakPolarHBondContact O-CB 3.43Å; L141-L144 PolarHBondContact O-N 2.97Å; L141-L144 VanDerWaalsContact O-N 3.09Å; L141-L165 HydrophobicContact CB-CD2 3.75Å; L141-L165 WeakPolarHBondContact O-CD2 3.25Å
142	S	92.9	Very high	96.2	Very high	36 Å²	36	36.8 Å²	36.8	25%	0.252	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-32.5	-173.1	46.9	0	0	0	0	115.6	D140 H166 N167	D140-S142 PolarHBondContact O-N 3.1Å; S142-H166 PolarHBondContact O-CE1 3.08Å; S142-N167 PolarHBondContact O-ND2 2.81Å
143	N	94.8	Very high	96.2	Very high	58 Å²	58	36 Å²	36	31%	0.31	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.6	6.8	178.7	-67.5	-52.5	0	0	0	114.1	S118 L120 L141 Q145	S118-N143 VanDerWaalsContact O-CB 3.28Å; S118-N143 WeakPolarHBondContact O-CB 3.32Å; S118-N143 PolarHBondContact O-ND2 3.13Å; L120-N143 CarbonylContact O-C 3.58Å; L120-N143 VanDerWaalsContact O-C 3.3Å; L141-N143 VanDerWaalsContact C-N 3.31Å; L141-N143 PolarHBondContact O-N 3.05Å; N143-Q145 PolarHBondContact O-N 3.27Å
144	L	96.8	Very high	96.3	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.177	C	C	.	.			trans	-64.3	130	-178.8	-162.7	74.4	0	0	0	110.5	L120 L123 L141 L147 L165 N167 L168	L120-L144 HydrophobicContact CD2-CD1 4.14Å; L120-L144 HydrophobicContact CG-CD1 4.13Å; L120-L144 VanDerWaalsContact O-CA 3.28Å; L120-L144 WeakPolarHBondContact O-CA 3.44Å; L120-L144 PolarHBondContact O-N 3.04Å; L123-L144 HydrophobicContact CB-CD1 3.87Å; L141-L144 HydrophobicContact CB-CB 3.99Å; L141-L144 HydrophobicContact CB-CD2 4.33Å; L141-L144 HydrophobicContact CD1-CD2 4.01Å; L141-L144 VanDerWaalsContact O-CB 3.25Å; L141-L144 WeakPolarHBondContact O-CB 3.43Å; L141-L144 PolarHBondContact O-N 2.97Å; L141-L144 VanDerWaalsContact O-N 3.09Å; L144-L147 HydrophobicContact CD2-CB 4.06Å; L144-L147 HydrophobicContact CD2-CD1 4.38Å; L144-L165 HydrophobicContact CB-CD2 4.16Å; L144-L165 HydrophobicContact CD2-CD1 4.49Å; L144-L165 HydrophobicContact CD2-CD2 4.05Å; L144-N167 CarbonylContact O-C 3.55Å; L144-L168 HydrophobicContact CD2-CD1 4.16Å; L144-L168 HydrophobicContact CG-CD1 4.22Å; L144-L168 WeakPolarHBondContact O-CA 3.25Å; L144-L168 PolarHBondContact O-N 3.41Å; L144-L168 VanDerWaalsContact O-N 3.15Å
145	Q	97.3	Very high	96.3	Very high	34 Å²	34	37.8 Å²	37.8	16%	0.159	19%	0.191	C	C	.	.			trans	-115.7	-33.1	-177.6	-70.6	166.5	24.9	0	0	111.4	P45 T121 N143 N167 L169 R170	P45-Q145 HydrophobicContact CB-CB 4.13Å; P45-Q145 VanDerWaalsContact CB-OE1 3.26Å; P45-Q145 HydrophobicContact CG-CB 4.05Å; P45-Q145 VanDerWaalsContact CG-OE1 3.28Å; T121-Q145 PolarHBondContact O-N 3.42Å; N143-Q145 PolarHBondContact O-N 3.27Å; Q145-N167 HydrophobicContact CG-CB 4.47Å; Q145-L169 HydrophobicContact CB-CD1 4.34Å; Q145-L169 HydrophobicContact CB-CG 4.39Å; Q145-L169 HydrophobicContact CG-CD1 4.38Å; Q145-L169 WeakPolarHBondContact O-CA 3.35Å; Q145-L169 PolarHBondContact O-N 3.48Å; Q145-R170 PolarHBondContact O-N 2.83Å
146	E	98.2	Very high	96.3	Very high	22 Å²	22	38 Å²	38	10%	0.103	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	126.6	179.1	-55	-169.6	169.5	0	0	110.8	P45 T121 T122 L123 Y148 R170	P45-E146 HydrophobicContact CB-CG 3.94Å; P45-E146 WeakPolarHBondContact CB-OE1 3.46Å; P45-E146 HydrophobicContact CG-CG 4.07Å; T121-E146 PolarHBondContact O-N 3.1Å; T122-E146 HydrophobicContact CG2-CB 4.19Å; L123-E146 PolarHBondContact N-O 3.16Å; E146-Y148 HydrophobicContact CB-CD2 4.45Å; E146-Y148 HydrophobicContact CB-CE2 3.7Å; E146-Y148 WeakPolarHBondContact OE2-CE2 3.49Å; E146-Y148 PolarHBondContact OE2-OH 2.79Å; E146-R170 HydrophobicContact CB-CB 4.43Å; E146-R170 HydrophobicContact CG-CB 4.14Å; E146-R170 HydrophobicContact CG-CG 4.28Å; E146-R170 WeakPolarHBondContact OE1-CD 3.33Å; E146-R170 IonicContact OE1-CZ 2.77Å; E146-R170 IonicContact OE1-NE 3.68Å; E146-R170 IonicContact OE1-NH1 3.89Å; E146-R170 PolarHBondContact OE1-NH1 2.78Å
147	L	98.2	Very high	96.4	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	115.9	175.8	177.8	58.9	0	0	0	109.9	L123 L138 L144 F162 L165 L168 R170 L171 H172	L123-L147 HydrophobicContact CB-CD1 4.18Å; L123-L147 HydrophobicContact CD2-CD1 3.91Å; L123-L147 HydrophobicContact CG-CD1 4.11Å; L138-L147 HydrophobicContact CD1-CD2 3.68Å; L144-L147 HydrophobicContact CD2-CB 4.06Å; L144-L147 HydrophobicContact CD2-CD1 4.38Å; L147-F162 HydrophobicContact CD2-CE1 4.19Å; L147-L165 HydrophobicContact CD2-CD1 4.4Å; L147-L168 HydrophobicContact CB-CD1 3.9Å; L147-R170 PolarHBondContact N-O 2.68Å; L147-L171 HydrophobicContact CB-CD1 4.13Å; L147-L171 HydrophobicContact CD2-CD1 3.87Å; L147-L171 HydrophobicContact CG-CD1 4.09Å; L147-H172 PolarHBondContact O-N 3Å
148	Y	98.5	Very high	96.5	Very high	34 Å²	34	34 Å²	34	13%	0.133	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	109.5	175.2	-54.2	-91.9	0	0	0	110.3	T122 L123 H124 L125 E126 E146 H172	T122-Y148 HydrophobicContact CG2-CE2 4.16Å; L123-Y148 PolarHBondContact O-N 2.89Å; H124-Y148 AromaticContact CE1-CD2 3.33Å; H124-Y148 WeakPolarHBondContact CE1-CD2 3.48Å; H124-Y148 AromaticContact CE1-CE2 3.4Å; H124-Y148 WeakPolarHBondContact CE1-CE2 3.5Å; H124-Y148 AromaticContact ND1-CD2 3.27Å; H124-Y148 VanDerWaalsContact ND1-CD2 3.27Å; H124-Y148 WeakPolarHBondContact ND1-CD2 3.1Å; H124-Y148 AromaticContact ND1-CE2 3.84Å; H124-Y148 AromaticContact ND1-CG 3.7Å; L125-Y148 CarbonylContact C-O 3.14Å; L125-Y148 WeakPolarHBondContact CA-O 3.35Å; L125-Y148 PolarHBondContact N-O 2.89Å; E126-Y148 VanDerWaalsContact CG-CB 3.5Å; E126-Y148 WeakPolarHBondContact OE1-CB 3.38Å; E146-Y148 HydrophobicContact CB-CD2 4.45Å; E146-Y148 HydrophobicContact CB-CE2 3.7Å; E146-Y148 WeakPolarHBondContact OE2-CE2 3.49Å; E146-Y148 PolarHBondContact OE2-OH 2.79Å; Y148-H172 HydrophobicContact CD1-CB 3.98Å; Y148-H172 AromaticContact CD1-CD2 3.74Å; Y148-H172 AromaticContact CD1-CG 3.58Å; Y148-H172 AromaticContact CD1-ND1 3.75Å; Y148-H172 AromaticContact CE1-CD2 3.66Å; Y148-H172 AromaticContact CE1-CE1 3.64Å; Y148-H172 AromaticContact CE1-CG 3.9Å; Y148-H172 AromaticContact CE1-ND1 3.87Å; Y148-H172 AromaticContact CE1-NE2 3.54Å
149	I	97.5	Very high	96.6	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	20%	0.195	C	C	.	.			trans	-135	25.7	179.8	-156.9	172.8	0	0	0	111.4	I109 L125 I130 M133 N152 I154 H172 L173 N176	I109-I149 HydrophobicContact CD1-CD1 3.92Å; I109-I149 HydrophobicContact CG1-CD1 4.33Å; L125-I149 HydrophobicContact CB-CG1 4.08Å; L125-I149 HydrophobicContact CD1-CD1 4.33Å; I130-I149 HydrophobicContact CD1-CD1 3.94Å; I130-I149 HydrophobicContact CD1-CG1 4.15Å; M133-I149 HydrophobicContact CE-CD1 4.3Å; M133-I149 HydrophobicContact SD-CD1 4.39Å; I149-N152 PolarHBondContact O-ND2 3.08Å; I149-I154 HydrophobicContact CD1-CD1 3.69Å; I149-I154 HydrophobicContact CG1-CD1 3.8Å; I149-I154 HydrophobicContact CG2-CD1 4.13Å; I149-H172 CarbonylContact C-O 3.37Å; I149-H172 WeakPolarHBondContact CG2-O 3.32Å; I149-H172 PolarHBondContact N-O 3.06Å; I149-L173 HydrophobicContact CG2-CD2 3.51Å; I149-L173 HydrophobicContact CG2-CG 4.43Å; I149-N176 PolarHBondContact O-ND2 3.29Å; I149-N176 VanDerWaalsContact O-ND2 3.07Å
150	N	98.1	Very high	96.7	Very high	6 Å²	6	33.6 Å²	33.6	3%	0.032	19%	0.188	C	C	.	.			trans	-69.4	166.1	174.1	50.6	-75.2	0	0	0	112.4	E126 E127 N152 H172 N174	E126-N150 VanDerWaalsContact CA-O 3.31Å; E126-N150 WeakPolarHBondContact CA-O 3.43Å; E126-N150 VanDerWaalsContact CG-OD1 3.31Å; E126-N150 WeakPolarHBondContact CG-OD1 3.45Å; E126-N150 PolarHBondContact OE2-ND2 3.41Å; E126-N150 PolarHBondContact OE2-OD1 3Å; E127-N150 PolarHBondContact N-O 3.01Å; N150-N152 VanDerWaalsContact C-N 3.31Å; N150-N152 PolarHBondContact O-N 2.99Å; N150-N152 PolarHBondContact O-ND2 2.76Å; N150-H172 HydrophobicContact CB-CB 4.42Å; N150-H172 PolarHBondContact N-O 3.29Å; N150-H172 WeakPolarHBondContact OD1-CB 3.28Å; N150-N174 CarbonylContact C-O 3.49Å; N150-N174 WeakPolarHBondContact CA-O 3.01Å; N150-N174 WeakPolarHBondContact CB-O 3.08Å; N150-N174 VanDerWaalsContact CB-OD1 3.27Å; N150-N174 WeakPolarHBondContact CB-OD1 3.33Å
151	H	97.9	Very high	97	Very high	81 Å²	81	29.9 Å²	29.9	38%	0.375	17%	0.168	S	C	.	.	S	Bend	trans	53.7	43.3	-179.1	-59.6	111.3	0	0	0	113.7	E127 N174 S175	E127-H151 VanDerWaalsContact CA-O 3.3Å; E127-H151 WeakPolarHBondContact CA-O 3.29Å; E127-H151 HydrophobicContact CG-CB 3.72Å; E127-H151 PolarHBondContact N-O 2.7Å; H151-N174 PolarHBondContact N-O 2.03Å; H151-S175 VanDerWaalsContact CA-O 3.24Å; H151-S175 WeakPolarHBondContact CA-O 3.22Å; H151-S175 WeakPolarHBondContact CD2-CB 3.3Å; H151-S175 PolarHBondContact N-O 3.18Å; H151-S175 PolarHBondContact NE2-OG 2.96Å
152	N	98.5	Very high	97.1	Very high	4 Å²	4	30 Å²	30	2%	0.021	17%	0.168	C	C	.	.	S	Bend	trans	-114.6	-162.5	176	-88.9	-87.4	0	0	0	110.3	L125 N128 Q129 I130 I149 N150 I154 S175 N176	L125-N152 PolarHBondContact O-ND2 3.1Å; N128-N152 WeakPolarHBondContact CA-OD1 3.09Å; N128-N152 WeakPolarHBondContact CB-OD1 3.47Å; N128-N152 PolarHBondContact O-OD1 3.05Å; Q129-N152 PolarHBondContact N-OD1 2.96Å; I130-N152 HydrophobicContact CB-CB 4.35Å; I130-N152 WeakPolarHBondContact CB-OD1 3.37Å; I130-N152 WeakPolarHBondContact CG1-OD1 3.45Å; I130-N152 PolarHBondContact N-OD1 2.99Å; I149-N152 PolarHBondContact O-ND2 3.08Å; N150-N152 VanDerWaalsContact C-N 3.31Å; N150-N152 PolarHBondContact O-N 2.99Å; N150-N152 PolarHBondContact O-ND2 2.76Å; N152-I154 HydrophobicContact CB-CD1 4.34Å; N152-I154 HydrophobicContact CB-CG1 4.09Å; N152-S175 PolarHBondContact N-O 3.03Å; N152-N176 WeakPolarHBondContact CA-OD1 3.31Å; N152-N176 WeakPolarHBondContact CB-OD1 3.32Å; N152-N176 PolarHBondContact N-OD1 3.22Å; N152-N176 PolarHBondContact O-OD1 2.96Å
153	H	97.9	Very high	97.3	Very high	76 Å²	76	29.3 Å²	29.3	35%	0.352	16%	0.164	S	C	.	.			trans	-116.8	25.9	177.4	-64.2	-24.1	0	0	0	112.3	I130 M131 S155 N176	I130-H153 CarbonylContact O-C 3.56Å; I130-H153 VanDerWaalsContact O-CA 3.24Å; I130-H153 WeakPolarHBondContact O-CA 3.46Å; I130-H153 PolarHBondContact O-N 3.26Å; M131-H153 HydrophobicContact CG-CB 4.35Å; H153-S155 PolarHBondContact O-N 3.32Å; H153-S155 VanDerWaalsContact O-N 3.09Å; H153-N176 PolarHBondContact N-OD1 3.1Å
154	I	98.3	Very high	97.1	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.16	C	C	.	.			trans	-65.9	114.8	-172	-58	172.3	0	0	0	109.2	I130 M131 M133 I149 N152 I157 N176 R177 L178	I130-I154 HydrophobicContact CB-CG1 4.33Å; I130-I154 HydrophobicContact CG2-CD1 4.33Å; I130-I154 HydrophobicContact CG2-CG1 4.04Å; I130-I154 WeakPolarHBondContact O-CG1 3.4Å; I130-I154 PolarHBondContact O-N 3.04Å; M131-I154 WeakPolarHBondContact O-CA 3.42Å; M133-I154 HydrophobicContact CG-CD1 4.13Å; M133-I154 HydrophobicContact CG-CG2 4.16Å; M133-I154 HydrophobicContact SD-CD1 4.17Å; I149-I154 HydrophobicContact CD1-CD1 3.69Å; I149-I154 HydrophobicContact CG1-CD1 3.8Å; I149-I154 HydrophobicContact CG2-CD1 4.13Å; N152-I154 HydrophobicContact CB-CD1 4.34Å; N152-I154 HydrophobicContact CB-CG1 4.09Å; I154-I157 HydrophobicContact CG2-CD1 4.33Å; I154-I157 HydrophobicContact CG2-CG1 3.8Å; I154-N176 HydrophobicContact CB-CB 4.27Å; I154-N176 WeakPolarHBondContact CB-OD1 3.26Å; I154-N176 WeakPolarHBondContact CG1-OD1 3.41Å; I154-N176 PolarHBondContact N-OD1 3.13Å; I154-R177 CarbonylContact O-C 3.54Å; I154-R177 VanDerWaalsContact O-CA 3.29Å; I154-R177 WeakPolarHBondContact O-CA 3.32Å; I154-R177 PolarHBondContact O-N 3.44Å; I154-L178 HydrophobicContact CG2-CD2 3.96Å; I154-L178 PolarHBondContact O-N 3.37Å
155	S	96.9	Very high	97.1	Very high	59 Å²	59	27.6 Å²	27.6	41%	0.413	16%	0.16	S	C	.	.			trans	-105.1	-24	179.8	62.1	0	0	0	0	112.7	M131 H153	M131-S155 PolarHBondContact O-N 3.06Å; M131-S155 PolarHBondContact O-OG 3.3Å; H153-S155 PolarHBondContact O-N 3.32Å; H153-S155 VanDerWaalsContact O-N 3.09Å
156	T	96.6	Very high	96.8	Very high	71 Å²	71	30.2 Å²	30.2	44%	0.436	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	137.7	-178.1	62.1	0	0	0	0	111.1	E132 M133	E132-T156 WeakPolarHBondContact CA-O 3.33Å; E132-T156 WeakPolarHBondContact CB-OG1 3.27Å; M133-T156 PolarHBondContact N-O 2.91Å
157	I	97.7	Very high	96.7	Very high	15 Å²	15	31.5 Å²	31.5	8%	0.077	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	123.1	172.2	-61.5	174.4	0	0	0	106.8	M133 I154 A161 F162 L173 L178 W185	M133-I157 HydrophobicContact CB-CB 4.43Å; M133-I157 HydrophobicContact CB-CG1 4.18Å; M133-I157 HydrophobicContact CB-CG2 4.25Å; M133-I157 HydrophobicContact CG-CG1 4.11Å; M133-I157 HydrophobicContact SD-CD1 4.13Å; M133-I157 HydrophobicContact SD-CG1 4.03Å; I154-I157 HydrophobicContact CG2-CD1 4.33Å; I154-I157 HydrophobicContact CG2-CG1 3.8Å; I157-A161 HydrophobicContact CG2-CB 3.77Å; I157-F162 HydrophobicContact CD1-CZ 4.37Å; I157-F162 HydrophobicContact CG2-CD2 4.48Å; I157-F162 HydrophobicContact CG2-CE2 3.8Å; I157-F162 HydrophobicContact CG2-CZ 4.27Å; I157-L173 HydrophobicContact CD1-CD1 4.26Å; I157-L173 HydrophobicContact CD1-CD2 4.02Å; I157-L178 HydrophobicContact CD1-CD1 3.97Å; I157-L178 HydrophobicContact CD1-CD2 3.82Å; I157-L178 HydrophobicContact CG1-CD2 3.87Å; I157-W185 HydrophobicContact CB-CD2 4.29Å; I157-W185 HydrophobicContact CB-CH2 4.4Å; I157-W185 HydrophobicContact CB-CZ2 3.87Å; I157-W185 HydrophobicContact CD1-CH2 4.35Å; I157-W185 HydrophobicContact CD1-CZ3 4.32Å; I157-W185 HydrophobicContact CG2-CD2 4.15Å; I157-W185 HydrophobicContact CG2-CG 4.08Å; I157-W185 PolarHBondContact O-NE1 3.2Å
158	S	97.1	Very high	96.7	Very high	40 Å²	40	31.5 Å²	31.5	28%	0.28	18%	0.179	S	C	.	.			trans	-75.2	157.3	179.7	-51	0	0	0	0	111	M133 P134 D135 N160 A161	M133-S158 WeakPolarHBondContact O-CB 3.47Å; M133-S158 PolarHBondContact O-N 3.21Å; M133-S158 PolarHBondContact O-OG 3.12Å; P134-S158 WeakPolarHBondContact CA-OG 3.43Å; D135-S158 WeakPolarHBondContact OD1-CB 3.3Å; S158-N160 VanDerWaalsContact C-N 3.26Å; S158-N160 PolarHBondContact O-N 2.96Å; S158-A161 VanDerWaalsContact O-CB 3.32Å; S158-A161 WeakPolarHBondContact O-CB 3.11Å; S158-A161 PolarHBondContact O-N 3.11Å; S158-A161 VanDerWaalsContact O-N 3.17Å
159	A	96.1	Very high	96.6	Very high	33 Å²	33	31.2 Å²	31.2	27%	0.273	18%	0.18	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-37.5	-172.6	0	0	0	0	0	113.1	D135 Q184	D135-A159 PolarHBondContact OD1-N 3.2Å; A159-Q184 HydrophobicContact CB-CB 4.24Å
160	N	96.6	Very high	96.6	Very high	59 Å²	59	33.8 Å²	33.8	32%	0.316	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.8	21.6	-177.9	-54	-63.6	0	0	0	112.4	D135 Y136 S158 F162 S163	D135-N160 HydrophobicContact CB-CB 4.23Å; D135-N160 WeakPolarHBondContact OD1-CA 3.42Å; D135-N160 WeakPolarHBondContact OD1-CB 3.38Å; D135-N160 PolarHBondContact OD1-N 2.86Å; Y136-N160 HydrophobicContact CD1-CB 4.4Å; Y136-N160 HydrophobicContact CE1-CB 3.9Å; Y136-N160 HydrophobicContact CE2-CB 4.45Å; Y136-N160 PolarHBondContact N-O 3.09Å; S158-N160 VanDerWaalsContact C-N 3.26Å; S158-N160 PolarHBondContact O-N 2.96Å; N160-F162 VanDerWaalsContact C-N 3.28Å; N160-F162 PolarHBondContact O-N 2.83Å; N160-S163 VanDerWaalsContact O-CB 3.25Å; N160-S163 WeakPolarHBondContact O-CB 3.38Å; N160-S163 PolarHBondContact O-N 2.77Å
161	A	97.3	Very high	96.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-37	-178.8	0	0	0	0	0	112.8	M133 I157 S158	M133-A161 HydrophobicContact CB-CB 3.95Å; I157-A161 HydrophobicContact CG2-CB 3.77Å; S158-A161 VanDerWaalsContact O-CB 3.32Å; S158-A161 WeakPolarHBondContact O-CB 3.11Å; S158-A161 PolarHBondContact O-N 3.11Å; S158-A161 VanDerWaalsContact O-N 3.17Å
162	F	96.8	Very high	96.7	Very high	1 Å²	1	31.1 Å²	31.1	0%	0.004	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.8	12.5	178.6	-56.1	-66.3	0	0	0	113.6	M133 L147 I157 N160 G164 L165 L171 L173 W185 T189	M133-F162 HydrophobicContact CE-CD1 4.25Å; M133-F162 HydrophobicContact CE-CE1 3.57Å; M133-F162 HydrophobicContact CE-CZ 4.09Å; M133-F162 HydrophobicContact SD-CE1 4.04Å; M133-F162 HydrophobicContact SD-CZ 3.94Å; L147-F162 HydrophobicContact CD2-CE1 4.19Å; I157-F162 HydrophobicContact CD1-CZ 4.37Å; I157-F162 HydrophobicContact CG2-CD2 4.48Å; I157-F162 HydrophobicContact CG2-CE2 3.8Å; I157-F162 HydrophobicContact CG2-CZ 4.27Å; N160-F162 VanDerWaalsContact C-N 3.28Å; N160-F162 PolarHBondContact O-N 2.83Å; F162-G164 PolarHBondContact O-N 3.46Å; F162-L165 HydrophobicContact CB-CD1 4.15Å; F162-L165 HydrophobicContact CD1-CD1 3.84Å; F162-L165 HydrophobicContact CG-CD1 4.49Å; F162-L165 WeakPolarHBondContact O-CB 3.41Å; F162-L165 PolarHBondContact O-N 2.95Å; F162-L171 HydrophobicContact CE1-CD1 4.09Å; F162-L171 HydrophobicContact CE1-CD2 4.16Å; F162-L171 HydrophobicContact CE2-CD2 4.36Å; F162-L171 HydrophobicContact CZ-CD1 4.41Å; F162-L171 HydrophobicContact CZ-CD2 3.97Å; F162-L173 HydrophobicContact CZ-CD1 4.23Å; F162-L173 HydrophobicContact CZ-CD2 4.44Å; F162-W185 HydrophobicContact CD2-CB 4.11Å; F162-W185 WeakPolarHBondContact CD2-O 3.34Å; F162-W185 HydrophobicContact CE2-CB 4.12Å; F162-T189 HydrophobicContact CB-CG2 3.96Å
163	S	95.6	Very high	96.6	Very high	23 Å²	23	30.9 Å²	30.9	16%	0.161	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	137.8	174.5	-175.2	0	0	0	0	110	Q139 N160	Q139-S163 VanDerWaalsContact CA-O 3.29Å; Q139-S163 WeakPolarHBondContact CA-O 3.39Å; N160-S163 VanDerWaalsContact O-CB 3.25Å; N160-S163 WeakPolarHBondContact O-CB 3.38Å; N160-S163 PolarHBondContact O-N 2.77Å
164	G	91.8	Very high	96.6	Very high	21 Å²	21	28.2 Å²	28.2	22%	0.216	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	95.1	-23.8	-175.2	0	0	0	0	0	114.9	F162 H166	F162-G164 PolarHBondContact O-N 3.46Å; G164-H166 VanDerWaalsContact C-N 3.26Å; G164-H166 PolarHBondContact O-N 2.86Å; G164-H166 PolarHBondContact O-ND1 2.71Å
165	L	95.5	Very high	96.6	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.17	C	C	.	.			trans	-84.1	48.5	-174.2	-53.5	-174.3	0	0	0	114.2	L138 L141 L144 L147 F162 N167 L168 T189	L138-L165 HydrophobicContact CB-CD1 4.18Å; L138-L165 HydrophobicContact CB-CD2 4.09Å; L138-L165 HydrophobicContact CB-CG 4.37Å; L138-L165 HydrophobicContact CD1-CD1 4.01Å; L138-L165 WeakPolarHBondContact O-CD2 3.39Å; L141-L165 HydrophobicContact CB-CD2 3.75Å; L141-L165 WeakPolarHBondContact O-CD2 3.25Å; L144-L165 HydrophobicContact CB-CD2 4.16Å; L144-L165 HydrophobicContact CD2-CD1 4.49Å; L144-L165 HydrophobicContact CD2-CD2 4.05Å; L147-L165 HydrophobicContact CD2-CD1 4.4Å; F162-L165 HydrophobicContact CB-CD1 4.15Å; F162-L165 HydrophobicContact CD1-CD1 3.84Å; F162-L165 HydrophobicContact CG-CD1 4.49Å; F162-L165 WeakPolarHBondContact O-CB 3.41Å; F162-L165 PolarHBondContact O-N 2.95Å; L165-N167 PolarHBondContact O-N 2.84Å; L165-L168 HydrophobicContact CB-CB 4.17Å; L165-L168 HydrophobicContact CD1-CD2 4.23Å; L165-L168 VanDerWaalsContact O-CB 3.3Å; L165-L168 WeakPolarHBondContact O-CB 3.43Å; L165-L168 PolarHBondContact O-N 2.94Å; L165-T189 HydrophobicContact CB-CG2 4.19Å
166	H	92.8	Very high	96.7	Very high	89 Å²	89	26.7 Å²	26.7	41%	0.412	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-20.6	-173.3	56.9	-82	0	0	0	114.6	S142 G164 N191	S142-H166 PolarHBondContact O-CE1 3.08Å; G164-H166 VanDerWaalsContact C-N 3.26Å; G164-H166 PolarHBondContact O-N 2.86Å; G164-H166 PolarHBondContact O-ND1 2.71Å; H166-N191 PolarHBondContact O-ND2 3.38Å
167	N	95.3	Very high	96.7	Very high	49 Å²	49	30.2 Å²	30.2	26%	0.262	16%	0.158	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.1	5.8	177.9	-66.6	-47.3	0	0	0	113.6	S142 L144 Q145 L165 L169	S142-N167 PolarHBondContact O-ND2 2.81Å; L144-N167 CarbonylContact O-C 3.55Å; Q145-N167 HydrophobicContact CG-CB 4.47Å; L165-N167 PolarHBondContact O-N 2.84Å; N167-L169 PolarHBondContact O-N 3.3Å
168	L	97.3	Very high	96.7	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.155	C	C	.	.			trans	-66.3	124.2	-176	-163.4	72.2	0	0	0	110.8	L144 L147 L165 L171 T189 N191 L192	L144-L168 HydrophobicContact CD2-CD1 4.16Å; L144-L168 HydrophobicContact CG-CD1 4.22Å; L144-L168 WeakPolarHBondContact O-CA 3.25Å; L144-L168 PolarHBondContact O-N 3.41Å; L144-L168 VanDerWaalsContact O-N 3.15Å; L147-L168 HydrophobicContact CB-CD1 3.9Å; L165-L168 HydrophobicContact CB-CB 4.17Å; L165-L168 HydrophobicContact CD1-CD2 4.23Å; L165-L168 VanDerWaalsContact O-CB 3.3Å; L165-L168 WeakPolarHBondContact O-CB 3.43Å; L165-L168 PolarHBondContact O-N 2.94Å; L168-L171 HydrophobicContact CD2-CB 4.13Å; L168-L171 HydrophobicContact CD2-CD1 4.37Å; L168-L171 HydrophobicContact CD2-CD2 4.37Å; L168-T189 HydrophobicContact CB-CG2 4.3Å; L168-T189 HydrophobicContact CD2-CG2 4.04Å; L168-N191 CarbonylContact O-C 3.52Å; L168-L192 HydrophobicContact CD2-CD1 4.08Å; L168-L192 HydrophobicContact CG-CD1 4.02Å; L168-L192 VanDerWaalsContact O-CA 3.3Å; L168-L192 WeakPolarHBondContact O-CA 3.44Å; L168-L192 PolarHBondContact O-N 3.15Å
169	L	97.3	Very high	96.5	Very high	29 Å²	29	34.5 Å²	34.5	15%	0.152	17%	0.171	C	C	.	.			trans	-107.4	-35.9	-179.4	-58.8	178.3	0	0	0	111.7	Q145 N167 N191 E193 I194	Q145-L169 HydrophobicContact CB-CD1 4.34Å; Q145-L169 HydrophobicContact CB-CG 4.39Å; Q145-L169 HydrophobicContact CG-CD1 4.38Å; Q145-L169 WeakPolarHBondContact O-CA 3.35Å; Q145-L169 PolarHBondContact O-N 3.48Å; N167-L169 PolarHBondContact O-N 3.3Å; L169-N191 HydrophobicContact CD2-CB 4.47Å; L169-E193 HydrophobicContact CD2-CG 4.32Å; L169-E193 PolarHBondContact O-N 3.15Å; L169-I194 PolarHBondContact O-N 3.32Å
170	R	98.3	Very high	96.5	Very high	54 Å²	54	36.7 Å²	36.7	20%	0.204	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	127.9	-176.6	-55.2	-172.5	172.6	85.5	7.1	110.9	P45 Q145 E146 L147 I194	P45-R170 PolarHBondContact O-NH1 3.08Å; Q145-R170 PolarHBondContact O-N 2.83Å; E146-R170 HydrophobicContact CB-CB 4.43Å; E146-R170 HydrophobicContact CG-CB 4.14Å; E146-R170 HydrophobicContact CG-CG 4.28Å; E146-R170 WeakPolarHBondContact OE1-CD 3.33Å; E146-R170 IonicContact OE1-CZ 2.77Å; E146-R170 IonicContact OE1-NE 3.68Å; E146-R170 IonicContact OE1-NH1 3.89Å; E146-R170 PolarHBondContact OE1-NH1 2.78Å; L147-R170 PolarHBondContact N-O 2.68Å; R170-I194 HydrophobicContact CB-CB 4.5Å; R170-I194 HydrophobicContact CG-CB 4.16Å; R170-I194 HydrophobicContact CG-CD1 4.21Å; R170-I194 HydrophobicContact CG-CG1 4.35Å
171	L	98.4	Very high	96.4	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	117.1	178.8	178.6	57.3	0	0	0	110.5	L147 F162 L168 L173 F186 L192 I194 L195 M196	L147-L171 HydrophobicContact CB-CD1 4.13Å; L147-L171 HydrophobicContact CD2-CD1 3.87Å; L147-L171 HydrophobicContact CG-CD1 4.09Å; F162-L171 HydrophobicContact CE1-CD1 4.09Å; F162-L171 HydrophobicContact CE1-CD2 4.16Å; F162-L171 HydrophobicContact CE2-CD2 4.36Å; F162-L171 HydrophobicContact CZ-CD1 4.41Å; F162-L171 HydrophobicContact CZ-CD2 3.97Å; L168-L171 HydrophobicContact CD2-CB 4.13Å; L168-L171 HydrophobicContact CD2-CD1 4.37Å; L168-L171 HydrophobicContact CD2-CD2 4.37Å; L171-L173 HydrophobicContact CD1-CD1 4.38Å; L171-L173 HydrophobicContact CD1-CG 4.07Å; L171-L173 HydrophobicContact CD2-CD1 3.84Å; L171-L173 HydrophobicContact CD2-CG 4.41Å; L171-L173 HydrophobicContact CG-CD1 3.98Å; L171-L173 HydrophobicContact CG-CG 4.01Å; L171-F186 HydrophobicContact CD2-CE1 4.47Å; L171-L192 HydrophobicContact CB-CD1 3.71Å; L171-L192 HydrophobicContact CB-CD2 4.22Å; L171-I194 PolarHBondContact N-O 3.18Å; L171-L195 HydrophobicContact CB-CD1 4.19Å; L171-L195 HydrophobicContact CD2-CD1 4.07Å; L171-L195 HydrophobicContact CG-CD1 4.11Å; L171-M196 PolarHBondContact O-N 2.91Å
172	H	98.5	Very high	96.3	Very high	30 Å²	30	35.9 Å²	35.9	14%	0.139	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	109.5	178.5	-67.6	-131.2	0	0	0	109.9	L147 Y148 I149 N150 M196	L147-H172 PolarHBondContact O-N 3Å; Y148-H172 HydrophobicContact CD1-CB 3.98Å; Y148-H172 AromaticContact CD1-CD2 3.74Å; Y148-H172 AromaticContact CD1-CG 3.58Å; Y148-H172 AromaticContact CD1-ND1 3.75Å; Y148-H172 AromaticContact CE1-CD2 3.66Å; Y148-H172 AromaticContact CE1-CE1 3.64Å; Y148-H172 AromaticContact CE1-CG 3.9Å; Y148-H172 AromaticContact CE1-ND1 3.87Å; Y148-H172 AromaticContact CE1-NE2 3.54Å; I149-H172 CarbonylContact C-O 3.37Å; I149-H172 WeakPolarHBondContact CG2-O 3.32Å; I149-H172 PolarHBondContact N-O 3.06Å; N150-H172 HydrophobicContact CB-CB 4.42Å; N150-H172 PolarHBondContact N-O 3.29Å; N150-H172 WeakPolarHBondContact OD1-CB 3.28Å; H172-M196 PolarHBondContact CE1-SD 2.98Å; H172-M196 PolarHBondContact ND1-SD 3Å
173	L	97.7	Very high	96.3	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.194	C	C	.	.			trans	-118	7.1	179.6	-73.6	168.3	0	0	0	112.2	M133 I149 I157 F162 L171 N176 L195 M196 I197 N200	M133-L173 HydrophobicContact SD-CD2 4.47Å; I149-L173 HydrophobicContact CG2-CD2 3.51Å; I149-L173 HydrophobicContact CG2-CG 4.43Å; I157-L173 HydrophobicContact CD1-CD1 4.26Å; I157-L173 HydrophobicContact CD1-CD2 4.02Å; F162-L173 HydrophobicContact CZ-CD1 4.23Å; F162-L173 HydrophobicContact CZ-CD2 4.44Å; L171-L173 HydrophobicContact CD1-CD1 4.38Å; L171-L173 HydrophobicContact CD1-CG 4.07Å; L171-L173 HydrophobicContact CD2-CD1 3.84Å; L171-L173 HydrophobicContact CD2-CG 4.41Å; L171-L173 HydrophobicContact CG-CD1 3.98Å; L171-L173 HydrophobicContact CG-CG 4.01Å; L173-N176 PolarHBondContact O-ND2 2.86Å; L173-L195 HydrophobicContact CD1-CD1 4.48Å; L173-M196 CarbonylContact C-O 3.32Å; L173-M196 WeakPolarHBondContact CA-O 3.45Å; L173-M196 PolarHBondContact N-O 3.49Å; L173-I197 HydrophobicContact CB-CG1 4.26Å; L173-I197 HydrophobicContact CD1-CD1 4.33Å; L173-N200 PolarHBondContact O-ND2 3.49Å
174	N	97.3	Very high	96.2	Very high	19 Å²	19	41.9 Å²	41.9	10%	0.102	21%	0.21	C	C	.	.			trans	-64.8	155.8	-174.8	61.8	-82.3	0	0	0	112.8	N150 H151 N176 M196 G198	N150-N174 CarbonylContact C-O 3.49Å; N150-N174 WeakPolarHBondContact CA-O 3.01Å; N150-N174 WeakPolarHBondContact CB-O 3.08Å; N150-N174 VanDerWaalsContact CB-OD1 3.27Å; N150-N174 WeakPolarHBondContact CB-OD1 3.33Å; H151-N174 PolarHBondContact N-O 2.03Å; N174-N176 PolarHBondContact O-ND2 3.28Å; N174-M196 PolarHBondContact N-O 3.08Å; N174-G198 CarbonylContact C-O 3.58Å; N174-G198 WeakPolarHBondContact CA-O 3.44Å; N174-G198 WeakPolarHBondContact CB-O 3.47Å
175	S	97.6	Very high	96.4	Very high	17 Å²	17	41.5 Å²	41.5	12%	0.119	20%	0.202	C	C	.	.	S	Bend	trans	60.2	51.8	175.2	-41.1	0	0	0	0	111.7	H151 N152 G198 E199	H151-S175 VanDerWaalsContact CA-O 3.24Å; H151-S175 WeakPolarHBondContact CA-O 3.22Å; H151-S175 WeakPolarHBondContact CD2-CB 3.3Å; H151-S175 PolarHBondContact N-O 3.18Å; H151-S175 PolarHBondContact NE2-OG 2.96Å; N152-S175 PolarHBondContact N-O 3.03Å; S175-G198 PolarHBondContact N-O 3.25Å; S175-E199 WeakPolarHBondContact CA-O 3.31Å; S175-E199 PolarHBondContact OG-OE2 2.92Å
176	N	98.3	Very high	96.5	Very high	10 Å²	10	41.5 Å²	41.5	5%	0.053	20%	0.202	C	C	.	.	S	Bend	trans	-122	-163.4	176.4	-89.5	-68	0	0	0	109.8	I149 N152 H153 I154 L173 N174 L178 E199 N200	I149-N176 PolarHBondContact O-ND2 3.29Å; I149-N176 VanDerWaalsContact O-ND2 3.07Å; N152-N176 WeakPolarHBondContact CA-OD1 3.31Å; N152-N176 WeakPolarHBondContact CB-OD1 3.32Å; N152-N176 PolarHBondContact N-OD1 3.22Å; N152-N176 PolarHBondContact O-OD1 2.96Å; H153-N176 PolarHBondContact N-OD1 3.1Å; I154-N176 HydrophobicContact CB-CB 4.27Å; I154-N176 WeakPolarHBondContact CB-OD1 3.26Å; I154-N176 WeakPolarHBondContact CG1-OD1 3.41Å; I154-N176 PolarHBondContact N-OD1 3.13Å; L173-N176 PolarHBondContact O-ND2 2.86Å; N174-N176 PolarHBondContact O-ND2 3.28Å; N176-L178 HydrophobicContact CB-CG 4.49Å; N176-E199 PolarHBondContact N-O 2.76Å; N176-N200 VanDerWaalsContact CA-OD1 3.28Å; N176-N200 WeakPolarHBondContact CA-OD1 3.41Å; N176-N200 WeakPolarHBondContact CB-OD1 3.12Å; N176-N200 PolarHBondContact N-OD1 3.09Å; N176-N200 PolarHBondContact O-OD1 3.35Å
177	R	97.4	Very high	96.6	Very high	145 Å²	145	42.1 Å²	42.1	55%	0.547	21%	0.208	S	C	.	.			trans	-118.7	27.3	-177.6	-58.7	-170	-173	-133.6	6.1	113.1	I154 K179 N200	I154-R177 CarbonylContact O-C 3.54Å; I154-R177 VanDerWaalsContact O-CA 3.29Å; I154-R177 WeakPolarHBondContact O-CA 3.32Å; I154-R177 PolarHBondContact O-N 3.44Å; R177-K179 PolarHBondContact O-N 3.03Å; R177-N200 PolarHBondContact N-OD1 3.29Å
178	L	96.9	Very high	96.5	Very high	2 Å²	2	41.5 Å²	41.5	1%	0.01	21%	0.208	C	C	.	.			trans	-67.9	131	-178.9	-59	173.1	0	0	0	110.9	I154 I157 N176 W185 I197 N200 P201 V202	I154-L178 HydrophobicContact CG2-CD2 3.96Å; I154-L178 PolarHBondContact O-N 3.37Å; I157-L178 HydrophobicContact CD1-CD1 3.97Å; I157-L178 HydrophobicContact CD1-CD2 3.82Å; I157-L178 HydrophobicContact CG1-CD2 3.87Å; N176-L178 HydrophobicContact CB-CG 4.49Å; L178-W185 HydrophobicContact CD1-CH2 4.41Å; L178-W185 HydrophobicContact CD1-CZ3 4.42Å; L178-W185 HydrophobicContact CD2-CH2 4.35Å; L178-I197 HydrophobicContact CD1-CD1 4.24Å; L178-I197 HydrophobicContact CD1-CG1 4.28Å; L178-N200 HydrophobicContact CB-CB 4.09Å; L178-N200 WeakPolarHBondContact CB-OD1 2.99Å; L178-N200 WeakPolarHBondContact CG-OD1 3.26Å; L178-N200 PolarHBondContact N-OD1 3.31Å; L178-P201 CarbonylContact O-C 3.56Å; L178-P201 VanDerWaalsContact O-C 3.28Å; L178-P201 VanDerWaalsContact O-CD 3.3Å; L178-P201 WeakPolarHBondContact O-CD 3.43Å; L178-V202 WeakPolarHBondContact O-CG2 3.3Å; L178-V202 PolarHBondContact O-N 3.27Å
179	K	94.8	Very high	96.4	Very high	144 Å²	144	41.5 Å²	41.5	63%	0.626	21%	0.208	S	C	*	.			trans	-97.4	-19.8	178.8	-65.9	-176.4	179.9	177.8	0	113.9	R177 V202 V203	R177-K179 PolarHBondContact O-N 3.03Å; K179-V202 WeakPolarHBondContact O-CA 3.41Å; K179-V203 PolarHBondContact O-N 3.36Å
180	T	94.3	Very high	96.2	Very high	78 Å²	78	43 Å²	43	48%	0.479	22%	0.219	S	C	.	.			trans	-141.9	158.4	-177.1	57.2	0	0	0	0	108.7	W185	T180-W185 WeakPolarHBondContact O-CH2 3.48Å
181	I	95.5	Very high	96	Very high	7 Å²	7	43.5 Å²	43.5	4%	0.036	23%	0.226	C	C	.	.			trans	-112.8	125.8	165.8	-57	175.6	0	0	0	107	W185 F186 I197 V202 N209 F210 M224	I181-W185 HydrophobicContact CB-CZ3 4.23Å; I181-W185 HydrophobicContact CG2-CE3 4.13Å; I181-W185 HydrophobicContact CG2-CZ3 3.93Å; I181-F186 HydrophobicContact CG2-CE2 3.89Å; I181-F186 HydrophobicContact CG2-CZ 4.29Å; I181-I197 HydrophobicContact CD1-CD1 3.85Å; I181-I197 HydrophobicContact CD1-CG1 4.41Å; I181-I197 HydrophobicContact CD1-CG2 4.14Å; I181-I197 HydrophobicContact CG1-CD1 3.86Å; I181-I197 HydrophobicContact CG2-CD1 4.25Å; I181-V202 HydrophobicContact CD1-CG1 4.49Å; I181-V202 HydrophobicContact CD1-CG2 4.47Å; I181-V202 HydrophobicContact CG1-CG1 4.24Å; I181-V202 HydrophobicContact CG1-CG2 4.1Å; I181-N209 VanDerWaalsContact C-ND2 3.33Å; I181-N209 VanDerWaalsContact CG2-ND2 3.29Å; I181-N209 WeakPolarHBondContact CG2-ND2 3.46Å; I181-N209 PolarHBondContact O-ND2 3.47Å; I181-N209 PolarHBondContact O-OD1 2.77Å; I181-F210 HydrophobicContact CD1-CE1 4.42Å; I181-F210 HydrophobicContact CD1-CZ 4.05Å; I181-F210 HydrophobicContact CG2-CE1 4.15Å; I181-M224 HydrophobicContact CD1-CE 3.95Å
182	S	95.1	Very high	96	Very high	35 Å²	35	43.5 Å²	43.5	25%	0.245	23%	0.226	C	C	.	.			trans	-100.5	135.5	173.9	-173.4	0	0	0	0	110.1	Q184 W185	S182-Q184 PolarHBondContact O-N 3.36Å; S182-Q184 PolarHBondContact OG-N 3.35Å; S182-W185 PolarHBondContact O-N 3.1Å
183	S	95.7	Very high	95.9	Very high	45 Å²	45	44.4 Å²	44.4	32%	0.315	23%	0.23	S	C	.	.	G	3₁₀ helix	trans	-63.8	-30.2	174.1	57.6	0	0	0	0	112.4	W185 F186 N209	S183-W185 PolarHBondContact O-N 3.44Å; S183-F186 PolarHBondContact O-N 3.5Å; S183-F186 VanDerWaalsContact O-N 3.08Å; S183-N209 VanDerWaalsContact CA-O 3.26Å; S183-N209 WeakPolarHBondContact CA-O 3.43Å; S183-N209 VanDerWaalsContact CB-O 3.31Å; S183-N209 WeakPolarHBondContact CB-O 3.43Å
184	Q	95.6	Very high	96	Very high	105 Å²	105	46.3 Å²	46.3	49%	0.491	24%	0.24	S	C	.	.	G	3₁₀ helix	trans	-61.8	-27.3	-176.5	-65.3	175.9	-0.9	0	0	113.3	A159 S182 F186 D187	A159-Q184 HydrophobicContact CB-CB 4.24Å; S182-Q184 PolarHBondContact O-N 3.36Å; S182-Q184 PolarHBondContact OG-N 3.35Å; Q184-F186 PolarHBondContact O-N 3.17Å; Q184-F186 VanDerWaalsContact O-N 3.15Å; Q184-D187 PolarHBondContact O-N 2.82Å
185	W	95.9	Very high	96	Very high	13 Å²	13	45.4 Å²	45.4	5%	0.049	24%	0.235	C	C	.	.	G	3₁₀ helix	trans	-57.8	-30.4	176.8	-57.3	-23.9	0	0	0	112.3	I157 F162 L178 T180 I181 S182 S183 I197	I157-W185 HydrophobicContact CB-CD2 4.29Å; I157-W185 HydrophobicContact CB-CH2 4.4Å; I157-W185 HydrophobicContact CB-CZ2 3.87Å; I157-W185 HydrophobicContact CD1-CH2 4.35Å; I157-W185 HydrophobicContact CD1-CZ3 4.32Å; I157-W185 HydrophobicContact CG2-CD2 4.15Å; I157-W185 HydrophobicContact CG2-CG 4.08Å; I157-W185 PolarHBondContact O-NE1 3.2Å; F162-W185 HydrophobicContact CD2-CB 4.11Å; F162-W185 WeakPolarHBondContact CD2-O 3.34Å; F162-W185 HydrophobicContact CE2-CB 4.12Å; L178-W185 HydrophobicContact CD1-CH2 4.41Å; L178-W185 HydrophobicContact CD1-CZ3 4.42Å; L178-W185 HydrophobicContact CD2-CH2 4.35Å; T180-W185 WeakPolarHBondContact O-CH2 3.48Å; I181-W185 HydrophobicContact CB-CZ3 4.23Å; I181-W185 HydrophobicContact CG2-CE3 4.13Å; I181-W185 HydrophobicContact CG2-CZ3 3.93Å; S182-W185 PolarHBondContact O-N 3.1Å; S183-W185 PolarHBondContact O-N 3.44Å; W185-I197 HydrophobicContact CZ3-CD1 4.26Å
186	F	95.9	Very high	96.1	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	24%	0.242	C	C	.	.	G	3₁₀ helix	trans	-96.4	-1.7	-172.2	-54.1	-58.8	0	0	0	113.5	L171 I181 S183 Q184 S188 T189 L195 F210 P212 L213	L171-F186 HydrophobicContact CD2-CE1 4.47Å; I181-F186 HydrophobicContact CG2-CE2 3.89Å; I181-F186 HydrophobicContact CG2-CZ 4.29Å; S183-F186 PolarHBondContact O-N 3.5Å; S183-F186 VanDerWaalsContact O-N 3.08Å; Q184-F186 PolarHBondContact O-N 3.17Å; Q184-F186 VanDerWaalsContact O-N 3.15Å; F186-S188 PolarHBondContact O-N 3.41Å; F186-T189 WeakPolarHBondContact CA-OG1 3.25Å; F186-T189 PolarHBondContact O-N 3.47Å; F186-T189 VanDerWaalsContact O-N 3.16Å; F186-T189 PolarHBondContact O-OG1 3.23Å; F186-L195 HydrophobicContact CE1-CD1 4.23Å; F186-L195 HydrophobicContact CE1-CD2 3.82Å; F186-L195 HydrophobicContact CZ-CD2 3.7Å; F186-F210 HydrophobicContact CE2-CD1 4.18Å; F186-F210 HydrophobicContact CE2-CE1 4.42Å; F186-P212 HydrophobicContact CB-CB 4.07Å; F186-P212 HydrophobicContact CB-CG 4.29Å; F186-L213 HydrophobicContact CB-CD1 4.35Å; F186-L213 HydrophobicContact CB-CD2 3.63Å; F186-L213 HydrophobicContact CB-CG 3.82Å; F186-L213 HydrophobicContact CD1-CD1 4.02Å; F186-L213 HydrophobicContact CD1-CD2 3.93Å; F186-L213 HydrophobicContact CD1-CG 4.31Å; F186-L213 HydrophobicContact CD2-CD1 4.05Å; F186-L213 HydrophobicContact CD2-CG 4.37Å; F186-L213 HydrophobicContact CE1-CD1 4.34Å; F186-L213 HydrophobicContact CE2-CD1 4.36Å; F186-L213 HydrophobicContact CG-CD1 3.86Å; F186-L213 HydrophobicContact CG-CD2 3.87Å; F186-L213 HydrophobicContact CG-CG 3.91Å
187	D	94.6	Very high	96	Very high	102 Å²	102	46.6 Å²	46.6	55%	0.545	24%	0.239	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-29	-178.3	-71.7	-18.9	0	0	0	112	Q184 P212	Q184-D187 PolarHBondContact O-N 2.82Å; D187-P212 VanDerWaalsContact OD1-CG 3.24Å; D187-P212 WeakPolarHBondContact OD1-CG 3.49Å
188	S	94.1	Very high	96	Very high	37 Å²	37	39.8 Å²	39.8	26%	0.259	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	-2	179.2	-61.5	0	0	0	0	114.3	F186 P190	F186-S188 PolarHBondContact O-N 3.41Å; S188-P190 WeakPolarHBondContact O-CD 3.45Å
189	T	95.8	Very high	96	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.238	C	C	.	.			trans	-123.9	54.1	-175.7	54.5	0	0	0	0	112.8	F162 L165 L168 F186 N191 L192	F162-T189 HydrophobicContact CB-CG2 3.96Å; L165-T189 HydrophobicContact CB-CG2 4.19Å; L168-T189 HydrophobicContact CB-CG2 4.3Å; L168-T189 HydrophobicContact CD2-CG2 4.04Å; F186-T189 WeakPolarHBondContact CA-OG1 3.25Å; F186-T189 PolarHBondContact O-N 3.47Å; F186-T189 VanDerWaalsContact O-N 3.16Å; F186-T189 PolarHBondContact O-OG1 3.23Å; T189-N191 PolarHBondContact O-N 3.14Å; T189-L192 WeakPolarHBondContact O-CB 3.43Å; T189-L192 PolarHBondContact O-N 2.67Å
190	P	92.4	Very high	96.1	Very high	60 Å²	60	38.2 Å²	38.2	39%	0.39	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-18.8	-174.4	30.1	-37.5	0	0	0	114.3	S188 L192 N215	S188-P190 WeakPolarHBondContact O-CD 3.45Å; P190-L192 VanDerWaalsContact C-N 3.33Å; P190-N215 PolarHBondContact O-ND2 2.86Å
191	N	95.2	Very high	96.1	Very high	64 Å²	64	38 Å²	38	34%	0.342	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.8	2.1	-178.9	-68.1	-40.7	0	0	0	113.9	H166 L168 L169 T189 E193 N215	H166-N191 PolarHBondContact O-ND2 3.38Å; L168-N191 CarbonylContact O-C 3.52Å; L169-N191 HydrophobicContact CD2-CB 4.47Å; T189-N191 PolarHBondContact O-N 3.14Å; N191-E193 PolarHBondContact O-N 3.19Å; N191-N215 PolarHBondContact OD1-ND2 2.94Å
192	L	97.4	Very high	96.1	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.209	C	C	.	.			trans	-61.5	126.1	-176.8	-165.1	73.1	0	0	0	110.8	L168 L171 T189 P190 L195 L213 N215 L216	L168-L192 HydrophobicContact CD2-CD1 4.08Å; L168-L192 HydrophobicContact CG-CD1 4.02Å; L168-L192 VanDerWaalsContact O-CA 3.3Å; L168-L192 WeakPolarHBondContact O-CA 3.44Å; L168-L192 PolarHBondContact O-N 3.15Å; L171-L192 HydrophobicContact CB-CD1 3.71Å; L171-L192 HydrophobicContact CB-CD2 4.22Å; T189-L192 WeakPolarHBondContact O-CB 3.43Å; T189-L192 PolarHBondContact O-N 2.67Å; P190-L192 VanDerWaalsContact C-N 3.33Å; L192-L195 HydrophobicContact CD2-CB 4Å; L192-L195 HydrophobicContact CD2-CD1 4.28Å; L192-L213 HydrophobicContact CB-CD2 3.93Å; L192-L213 HydrophobicContact CD2-CD2 3.83Å; L192-N215 CarbonylContact O-C 3.45Å; L192-L216 HydrophobicContact CB-CD1 4.45Å; L192-L216 HydrophobicContact CD2-CD1 4.16Å; L192-L216 HydrophobicContact CG-CD1 4.13Å; L192-L216 VanDerWaalsContact O-CA 3.22Å; L192-L216 WeakPolarHBondContact O-CA 3.01Å; L192-L216 PolarHBondContact O-N 3.23Å
193	E	97.4	Very high	95.9	Very high	49 Å²	49	42.8 Å²	42.8	23%	0.229	24%	0.237	C	C	.	.			trans	-102.1	-33.6	179.5	-63.8	-166.9	179.5	0	0	112.1	L169 N191 R217 S218	L169-E193 HydrophobicContact CD2-CG 4.32Å; L169-E193 PolarHBondContact O-N 3.15Å; N191-E193 PolarHBondContact O-N 3.19Å; E193-R217 PolarHBondContact O-N 2.9Å; E193-R217 IonicContact OE2-CZ 3.61Å; E193-R217 IonicContact OE2-NH1 2.69Å; E193-S218 PolarHBondContact O-N 3.04Å
194	I	98.4	Very high	95.7	Very high	41 Å²	41	42 Å²	42	21%	0.21	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	125	-177	-53.9	-176.1	0	0	0	109.9	L169 R170 L171 M196 S218	L169-I194 PolarHBondContact O-N 3.32Å; R170-I194 HydrophobicContact CB-CB 4.5Å; R170-I194 HydrophobicContact CG-CB 4.16Å; R170-I194 HydrophobicContact CG-CD1 4.21Å; R170-I194 HydrophobicContact CG-CG1 4.35Å; L171-I194 PolarHBondContact N-O 3.18Å; I194-M196 HydrophobicContact CG2-CG 4.32Å; I194-S218 WeakPolarHBondContact CA-O 3.34Å
195	L	98.5	Very high	95.7	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	119.7	173.8	177.9	59.5	0	0	0	110.3	L171 L173 F186 L192 F210 L213 L216 S218 L219 V220	L171-L195 HydrophobicContact CB-CD1 4.19Å; L171-L195 HydrophobicContact CD2-CD1 4.07Å; L171-L195 HydrophobicContact CG-CD1 4.11Å; L173-L195 HydrophobicContact CD1-CD1 4.48Å; F186-L195 HydrophobicContact CE1-CD1 4.23Å; F186-L195 HydrophobicContact CE1-CD2 3.82Å; F186-L195 HydrophobicContact CZ-CD2 3.7Å; L192-L195 HydrophobicContact CD2-CB 4Å; L192-L195 HydrophobicContact CD2-CD1 4.28Å; L195-F210 HydrophobicContact CD2-CD1 4.27Å; L195-F210 HydrophobicContact CD2-CE1 4.14Å; L195-L213 HydrophobicContact CD2-CD1 3.83Å; L195-L216 HydrophobicContact CB-CD1 3.86Å; L195-L216 HydrophobicContact CB-CD2 4.43Å; L195-S218 PolarHBondContact N-O 2.97Å; L195-L219 HydrophobicContact CB-CD1 4.09Å; L195-L219 HydrophobicContact CD2-CD1 3.91Å; L195-L219 HydrophobicContact CG-CD1 4.05Å; L195-V220 PolarHBondContact O-N 2.83Å
196	M	98.3	Very high	95.7	Very high	52 Å²	52	42.6 Å²	42.6	26%	0.256	24%	0.241	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	109.7	171.5	-59.3	-172.1	71.2	0	0	109.1	L171 H172 L173 N174 I194 V220	L171-M196 PolarHBondContact O-N 2.91Å; H172-M196 PolarHBondContact CE1-SD 2.98Å; H172-M196 PolarHBondContact ND1-SD 3Å; L173-M196 CarbonylContact C-O 3.32Å; L173-M196 WeakPolarHBondContact CA-O 3.45Å; L173-M196 PolarHBondContact N-O 3.49Å; N174-M196 PolarHBondContact N-O 3.08Å; I194-M196 HydrophobicContact CG2-CG 4.32Å; M196-V220 HydrophobicContact CB-CB 4.44Å; M196-V220 HydrophobicContact CE-CB 4.38Å; M196-V220 HydrophobicContact CE-CG1 4.25Å; M196-V220 HydrophobicContact CE-CG2 4.29Å; M196-V220 HydrophobicContact CG-CB 4.11Å; M196-V220 HydrophobicContact CG-CG2 4.08Å
197	I	96.8	Very high	95.7	Very high	0 Å²	0	46 Å²	46	0%	0	26%	0.259	C	S	.	.			trans	-125.4	7.4	-178.3	-163.9	161.5	0	0	0	112.6	L173 L178 I181 W185 N200 V220 L221 M224	L173-I197 HydrophobicContact CB-CG1 4.26Å; L173-I197 HydrophobicContact CD1-CD1 4.33Å; L178-I197 HydrophobicContact CD1-CD1 4.24Å; L178-I197 HydrophobicContact CD1-CG1 4.28Å; I181-I197 HydrophobicContact CD1-CD1 3.85Å; I181-I197 HydrophobicContact CD1-CG1 4.41Å; I181-I197 HydrophobicContact CD1-CG2 4.14Å; I181-I197 HydrophobicContact CG1-CD1 3.86Å; I181-I197 HydrophobicContact CG2-CD1 4.25Å; W185-I197 HydrophobicContact CZ3-CD1 4.26Å; I197-N200 PolarHBondContact O-ND2 3.18Å; I197-V220 PolarHBondContact N-O 3.09Å; I197-L221 HydrophobicContact CG2-CD2 3.51Å; I197-M224 HydrophobicContact CG2-SD 4.4Å
198	G	96.5	Very high	95.8	Very high	2 Å²	2	45.4 Å²	45.4	2%	0.021	25%	0.252	C	S	.	.			trans	-56.3	172.2	179.2	0	0	0	0	0	114.8	N174 S175 N200 V220 A222	N174-G198 CarbonylContact C-O 3.58Å; N174-G198 WeakPolarHBondContact CA-O 3.44Å; N174-G198 WeakPolarHBondContact CB-O 3.47Å; S175-G198 PolarHBondContact N-O 3.25Å; G198-N200 PolarHBondContact O-N 2.99Å; G198-N200 VanDerWaalsContact O-N 3.17Å; G198-N200 PolarHBondContact O-ND2 3.33Å; G198-N200 VanDerWaalsContact O-ND2 3.09Å; G198-V220 PolarHBondContact N-O 3.48Å; G198-A222 CarbonylContact C-O 3.55Å; G198-A222 VanDerWaalsContact C-O 3.26Å; G198-A222 WeakPolarHBondContact CA-O 3.29Å
199	E	96.9	Very high	95.9	Very high	109 Å²	109	44 Å²	44	51%	0.509	24%	0.241	S	C	.	.	S	Bend	trans	55	36	177.7	-62.4	176.6	-133.5	0	0	112.8	S175 N176 A222 G223	S175-E199 WeakPolarHBondContact CA-O 3.31Å; S175-E199 PolarHBondContact OG-OE2 2.92Å; N176-E199 PolarHBondContact N-O 2.76Å; E199-A222 PolarHBondContact N-O 2.86Å; E199-G223 WeakPolarHBondContact CA-O 3.49Å
200	N	97.1	Very high	95.9	Very high	3 Å²	3	44 Å²	44	2%	0.016	24%	0.241	C	C	.	.	S	Bend	trans	-115.9	140.1	171.3	-82.1	-82.9	0	0	0	109.1	L173 N176 R177 L178 I197 G198 V202	L173-N200 PolarHBondContact O-ND2 3.49Å; N176-N200 VanDerWaalsContact CA-OD1 3.28Å; N176-N200 WeakPolarHBondContact CA-OD1 3.41Å; N176-N200 WeakPolarHBondContact CB-OD1 3.12Å; N176-N200 PolarHBondContact N-OD1 3.09Å; N176-N200 PolarHBondContact O-OD1 3.35Å; R177-N200 PolarHBondContact N-OD1 3.29Å; L178-N200 HydrophobicContact CB-CB 4.09Å; L178-N200 WeakPolarHBondContact CB-OD1 2.99Å; L178-N200 WeakPolarHBondContact CG-OD1 3.26Å; L178-N200 PolarHBondContact N-OD1 3.31Å; I197-N200 PolarHBondContact O-ND2 3.18Å; G198-N200 PolarHBondContact O-N 2.99Å; G198-N200 VanDerWaalsContact O-N 3.17Å; G198-N200 PolarHBondContact O-ND2 3.33Å; G198-N200 VanDerWaalsContact O-ND2 3.09Å; N200-V202 HydrophobicContact CB-CG2 3.91Å; N200-V202 PolarHBondContact O-N 3.21Å
201	P	95.4	Very high	96.1	Very high	73 Å²	73	47.3 Å²	47.3	47%	0.474	25%	0.25	S	C	.	.			trans	-76.4	53.8	-179.9	34.6	-37.9	0	0	0	111.9	L178 V203	L178-P201 CarbonylContact O-C 3.56Å; L178-P201 VanDerWaalsContact O-C 3.28Å; L178-P201 VanDerWaalsContact O-CD 3.3Å; L178-P201 WeakPolarHBondContact O-CD 3.43Å; P201-V203 PolarHBondContact O-N 3.31Å
202	V	95.1	Very high	96.1	Very high	8 Å²	8	45.9 Å²	45.9	5%	0.048	24%	0.244	C	C	.	.			trans	-72.7	127.6	-178.4	173.4	0	0	0	0	109.3	L178 K179 I181 N200 G204 M224	L178-V202 WeakPolarHBondContact O-CG2 3.3Å; L178-V202 PolarHBondContact O-N 3.27Å; K179-V202 WeakPolarHBondContact O-CA 3.41Å; I181-V202 HydrophobicContact CD1-CG1 4.49Å; I181-V202 HydrophobicContact CD1-CG2 4.47Å; I181-V202 HydrophobicContact CG1-CG1 4.24Å; I181-V202 HydrophobicContact CG1-CG2 4.1Å; N200-V202 HydrophobicContact CB-CG2 3.91Å; N200-V202 PolarHBondContact O-N 3.21Å; V202-G204 VanDerWaalsContact CG1-O 3.27Å; V202-G204 WeakPolarHBondContact CG1-O 3.22Å; V202-G204 PolarHBondContact O-N 3.14Å; V202-M224 HydrophobicContact CB-CE 3.53Å; V202-M224 HydrophobicContact CG1-CE 4.03Å; V202-M224 HydrophobicContact CG2-CE 3.48Å; V202-M224 VanDerWaalsContact CG2-CE 3.48Å
203	V	91.3	Very high	96.1	Very high	135 Å²	135	45.9 Å²	45.9	82%	0.818	24%	0.244	S	C	*	.			trans	-64	-32	-177.5	178.4	0	0	0	0	111.8	K179 P201	K179-V203 PolarHBondContact O-N 3.36Å; P201-V203 PolarHBondContact O-N 3.31Å
204	G	91.5	Very high	96	Very high	29 Å²	29	44.8 Å²	44.8	30%	0.299	25%	0.246	S	C	.	.			trans	172.8	169.4	175.9	0	0	0	0	0	111.5	V202	V202-G204 VanDerWaalsContact CG1-O 3.27Å; V202-G204 WeakPolarHBondContact CG1-O 3.22Å; V202-G204 PolarHBondContact O-N 3.14Å
205	I	95.6	Very high	95.9	Very high	10 Å²	10	46.1 Å²	46.1	5%	0.051	25%	0.253	C	S	.	.	P	Polyproline II helix	trans	-94.6	145.8	173.8	-60.1	177.4	0	0	0	108.2	N209 F210 L221 L226 I229 P230 A233	I205-N209 HydrophobicContact CG2-CB 3.99Å; I205-F210 HydrophobicContact CD1-CE2 4.38Å; I205-F210 HydrophobicContact CG2-CE2 3.96Å; I205-L221 HydrophobicContact CD1-CD1 3.62Å; I205-L221 HydrophobicContact CD1-CD2 4.28Å; I205-L226 HydrophobicContact CD1-CD1 3.8Å; I205-L226 HydrophobicContact CD1-CD2 4.41Å; I205-L226 HydrophobicContact CG1-CD1 4.4Å; I205-L226 HydrophobicContact CG1-CD2 4.12Å; I205-I229 HydrophobicContact CD1-CD1 4.07Å; I205-P230 WeakPolarHBondContact O-CD 3.42Å; I205-P230 WeakPolarHBondContact O-CG 3.3Å; I205-A233 HydrophobicContact CG2-CB 3.84Å
206	M	95.2	Very high	95.8	Very high	121 Å²	121	46.1 Å²	46.1	60%	0.596	25%	0.253	S	S	*	.	P	Polyproline II helix	trans	-103.5	164.3	176.1	-58	-173.5	-175.8	0	0	111.7	N209	M206-N209 PolarHBondContact N-OD1 3.01Å; M206-N209 WeakPolarHBondContact O-CB 3.44Å; M206-N209 PolarHBondContact O-N 2.99Å
207	D	96.9	Very high	95.8	Very high	71 Å²	71	49.7 Å²	49.7	38%	0.38	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	140.8	170.5	-82.5	-22.6	0	0	0	110.5	N209 P230 N232 A233	D207-N209 PolarHBondContact O-N 2.96Å; D207-P230 WeakPolarHBondContact OD1-CB 3.25Å; D207-N232 HydrophobicContact CB-CB 4.09Å; D207-N232 VanDerWaalsContact OD1-CA 3.3Å; D207-N232 WeakPolarHBondContact OD1-CA 3.12Å; D207-N232 WeakPolarHBondContact OD1-CB 3.41Å; D207-N232 PolarHBondContact OD1-N 3.06Å; D207-A233 PolarHBondContact OD1-N 3.22Å
208	F	96.5	Very high	95.9	Very high	90 Å²	90	50.9 Å²	50.9	40%	0.395	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.1	17	179.2	-44	-75.9	0	0	0	115.8	F210 K211 N232 V235	F208-F210 PolarHBondContact O-N 3.45Å; F208-F210 VanDerWaalsContact O-N 3.1Å; F208-K211 HydrophobicContact CB-CB 4.18Å; F208-K211 HydrophobicContact CB-CD 4.35Å; F208-K211 HydrophobicContact CD1-CD 4.47Å; F208-K211 VanDerWaalsContact O-CB 3.31Å; F208-K211 WeakPolarHBondContact O-CB 3.22Å; F208-K211 PolarHBondContact O-N 3.24Å; F208-K211 VanDerWaalsContact O-N 3.13Å; F208-N232 HydrophobicContact CE1-CB 4.01Å; F208-N232 HydrophobicContact CE2-CB 4.39Å; F208-N232 HydrophobicContact CZ-CB 3.92Å; F208-N232 PolarHBondContact N-O 2.69Å; F208-V235 HydrophobicContact CD1-CB 3.75Å; F208-V235 HydrophobicContact CD1-CG1 3.85Å; F208-V235 HydrophobicContact CD1-CG2 4.41Å; F208-V235 HydrophobicContact CE1-CB 3.9Å; F208-V235 HydrophobicContact CE1-CG1 3.85Å; F208-V235 HydrophobicContact CE1-CG2 4.13Å
209	N	94.9	Very high	96	Very high	6 Å²	6	50.8 Å²	50.8	3%	0.032	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-30.1	-174.2	-135	121.7	0	0	0	114.3	I181 S183 I205 M206 D207	I181-N209 VanDerWaalsContact C-ND2 3.33Å; I181-N209 VanDerWaalsContact CG2-ND2 3.29Å; I181-N209 WeakPolarHBondContact CG2-ND2 3.46Å; I181-N209 PolarHBondContact O-ND2 3.47Å; I181-N209 PolarHBondContact O-OD1 2.77Å; S183-N209 VanDerWaalsContact CA-O 3.26Å; S183-N209 WeakPolarHBondContact CA-O 3.43Å; S183-N209 VanDerWaalsContact CB-O 3.31Å; S183-N209 WeakPolarHBondContact CB-O 3.43Å; I205-N209 HydrophobicContact CG2-CB 3.99Å; M206-N209 PolarHBondContact N-OD1 3.01Å; M206-N209 WeakPolarHBondContact O-CB 3.44Å; M206-N209 PolarHBondContact O-N 2.99Å; D207-N209 PolarHBondContact O-N 2.96Å
210	F	96.8	Very high	96.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.7	14	-176.5	-54.9	-73.9	0	0	0	113	I181 F186 L195 I205 F208 P212 L213 L219 L221 F234 L237	I181-F210 HydrophobicContact CD1-CE1 4.42Å; I181-F210 HydrophobicContact CD1-CZ 4.05Å; I181-F210 HydrophobicContact CG2-CE1 4.15Å; F186-F210 HydrophobicContact CE2-CD1 4.18Å; F186-F210 HydrophobicContact CE2-CE1 4.42Å; L195-F210 HydrophobicContact CD2-CD1 4.27Å; L195-F210 HydrophobicContact CD2-CE1 4.14Å; I205-F210 HydrophobicContact CD1-CE2 4.38Å; I205-F210 HydrophobicContact CG2-CE2 3.96Å; F208-F210 PolarHBondContact O-N 3.45Å; F208-F210 VanDerWaalsContact O-N 3.1Å; F210-P212 VanDerWaalsContact C-N 3.33Å; F210-L213 HydrophobicContact CB-CD1 4.25Å; F210-L213 HydrophobicContact CD1-CD1 4.02Å; F210-L213 WeakPolarHBondContact O-CB 3.18Å; F210-L213 PolarHBondContact O-N 2.6Å; F210-L219 HydrophobicContact CD2-CD2 4.24Å; F210-L219 HydrophobicContact CE1-CD1 4.28Å; F210-L219 HydrophobicContact CE2-CD2 4.14Å; F210-L219 HydrophobicContact CG-CD2 4.48Å; F210-L219 HydrophobicContact CZ-CD2 4.29Å; F210-L221 HydrophobicContact CZ-CD2 4.08Å; F210-F234 HydrophobicContact CD2-CD1 4.05Å; F210-F234 HydrophobicContact CD2-CE1 4.22Å; F210-F234 HydrophobicContact CE2-CD1 4.37Å; F210-F234 HydrophobicContact CE2-CE1 4.07Å; F210-L237 HydrophobicContact CB-CD1 3.94Å; F210-L237 HydrophobicContact CB-CD2 3.86Å; F210-L237 HydrophobicContact CB-CG 4.05Å; F210-L237 HydrophobicContact CD2-CD1 4.48Å; F210-L237 HydrophobicContact CG-CD1 4.42Å
211	K	96.3	Very high	96.1	Very high	130 Å²	130	46.8 Å²	46.8	57%	0.565	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.4	-36.9	-174.5	-177.2	-178.6	176.9	-173.5	0	115.2	F208 L213 V235	F208-K211 HydrophobicContact CB-CB 4.18Å; F208-K211 HydrophobicContact CB-CD 4.35Å; F208-K211 HydrophobicContact CD1-CD 4.47Å; F208-K211 VanDerWaalsContact O-CB 3.31Å; F208-K211 WeakPolarHBondContact O-CB 3.22Å; F208-K211 PolarHBondContact O-N 3.24Å; F208-K211 VanDerWaalsContact O-N 3.13Å; K211-L213 PolarHBondContact O-N 3.3Å; K211-V235 WeakPolarHBondContact CA-O 3.15Å
212	P	95.8	Very high	96.2	Very high	35 Å²	35	44 Å²	44	23%	0.227	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.4	177.9	-23.4	35.9	0	0	0	114.5	F186 D187 F210 G214	F186-P212 HydrophobicContact CB-CB 4.07Å; F186-P212 HydrophobicContact CB-CG 4.29Å; D187-P212 VanDerWaalsContact OD1-CG 3.24Å; D187-P212 WeakPolarHBondContact OD1-CG 3.49Å; F210-P212 VanDerWaalsContact C-N 3.33Å; P212-G214 VanDerWaalsContact C-N 3.29Å; P212-G214 PolarHBondContact O-N 2.83Å
213	L	96.3	Very high	96.2	Very high	0 Å²	0	44.7 Å²	44.7	0%	0	25%	0.247	C	C	.	.			trans	-86.7	56.1	-169.7	-61.6	177.3	0	0	0	112.9	F186 L192 L195 F210 K211 N215 L216 L237	F186-L213 HydrophobicContact CB-CD1 4.35Å; F186-L213 HydrophobicContact CB-CD2 3.63Å; F186-L213 HydrophobicContact CB-CG 3.82Å; F186-L213 HydrophobicContact CD1-CD1 4.02Å; F186-L213 HydrophobicContact CD1-CD2 3.93Å; F186-L213 HydrophobicContact CD1-CG 4.31Å; F186-L213 HydrophobicContact CD2-CD1 4.05Å; F186-L213 HydrophobicContact CD2-CG 4.37Å; F186-L213 HydrophobicContact CE1-CD1 4.34Å; F186-L213 HydrophobicContact CE2-CD1 4.36Å; F186-L213 HydrophobicContact CG-CD1 3.86Å; F186-L213 HydrophobicContact CG-CD2 3.87Å; F186-L213 HydrophobicContact CG-CG 3.91Å; L192-L213 HydrophobicContact CB-CD2 3.93Å; L192-L213 HydrophobicContact CD2-CD2 3.83Å; L195-L213 HydrophobicContact CD2-CD1 3.83Å; F210-L213 HydrophobicContact CB-CD1 4.25Å; F210-L213 HydrophobicContact CD1-CD1 4.02Å; F210-L213 WeakPolarHBondContact O-CB 3.18Å; F210-L213 PolarHBondContact O-N 2.6Å; K211-L213 PolarHBondContact O-N 3.3Å; L213-N215 VanDerWaalsContact C-N 3.27Å; L213-N215 PolarHBondContact O-N 2.88Å; L213-L216 HydrophobicContact CB-CB 4.03Å; L213-L216 HydrophobicContact CB-CD2 4.32Å; L213-L216 HydrophobicContact CD1-CD1 4.49Å; L213-L216 HydrophobicContact CD1-CD2 4.04Å; L213-L216 VanDerWaalsContact O-CB 3.3Å; L213-L216 WeakPolarHBondContact O-CB 3.48Å; L213-L216 PolarHBondContact O-N 3.18Å; L213-L237 HydrophobicContact CB-CD2 3.87Å; L213-L237 WeakPolarHBondContact O-CD2 3.33Å
214	G	95	Very high	96.4	Very high	25 Å²	25	38.3 Å²	38.3	26%	0.258	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-25.4	-175.5	0	0	0	0	0	115.3	P212 G236 N239	P212-G214 VanDerWaalsContact C-N 3.29Å; P212-G214 PolarHBondContact O-N 2.83Å; G214-G236 WeakPolarHBondContact CA-O 3.1Å; G214-N239 PolarHBondContact O-ND2 2.95Å
215	N	96.4	Very high	96.6	Very high	70 Å²	70	41.9 Å²	41.9	37%	0.374	22%	0.22	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.6	1.9	179.5	-70.4	-17.8	0	0	0	113.7	P190 N191 L192 L213 R217	P190-N215 PolarHBondContact O-ND2 2.86Å; N191-N215 PolarHBondContact OD1-ND2 2.94Å; L192-N215 CarbonylContact O-C 3.45Å; L213-N215 VanDerWaalsContact C-N 3.27Å; L213-N215 PolarHBondContact O-N 2.88Å; N215-R217 PolarHBondContact O-N 3.43Å
216	L	98.3	Very high	96.6	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.219	C	C	.	.			trans	-64.9	129.2	-176.1	-160	73.1	0	0	0	110.7	L192 L195 L213 L219 L237 N239 L240	L192-L216 HydrophobicContact CB-CD1 4.45Å; L192-L216 HydrophobicContact CD2-CD1 4.16Å; L192-L216 HydrophobicContact CG-CD1 4.13Å; L192-L216 VanDerWaalsContact O-CA 3.22Å; L192-L216 WeakPolarHBondContact O-CA 3.01Å; L192-L216 PolarHBondContact O-N 3.23Å; L195-L216 HydrophobicContact CB-CD1 3.86Å; L195-L216 HydrophobicContact CB-CD2 4.43Å; L213-L216 HydrophobicContact CB-CB 4.03Å; L213-L216 HydrophobicContact CB-CD2 4.32Å; L213-L216 HydrophobicContact CD1-CD1 4.49Å; L213-L216 HydrophobicContact CD1-CD2 4.04Å; L213-L216 VanDerWaalsContact O-CB 3.3Å; L213-L216 WeakPolarHBondContact O-CB 3.48Å; L213-L216 PolarHBondContact O-N 3.18Å; L216-L219 HydrophobicContact CD2-CB 3.96Å; L216-L219 HydrophobicContact CD2-CD1 4.27Å; L216-L219 HydrophobicContact CD2-CG 4.48Å; L216-L237 HydrophobicContact CB-CD2 4.05Å; L216-L237 HydrophobicContact CD2-CD2 3.88Å; L216-N239 CarbonylContact O-C 3.47Å; L216-L240 HydrophobicContact CB-CD1 4.32Å; L216-L240 HydrophobicContact CD2-CD1 3.97Å; L216-L240 HydrophobicContact CG-CD1 4.02Å; L216-L240 WeakPolarHBondContact O-CA 3.46Å; L216-L240 PolarHBondContact O-N 2.78Å; L216-L240 VanDerWaalsContact O-N 3.16Å
217	R	98.1	Very high	96.6	Very high	126 Å²	126	43.6 Å²	43.6	48%	0.475	22%	0.224	S	C	.	.			trans	-107.5	-32.5	178.9	-64.4	-176.8	177.5	175.8	1.7	112.2	E193 N215 E241 S242	E193-R217 PolarHBondContact O-N 2.9Å; E193-R217 IonicContact OE2-CZ 3.61Å; E193-R217 IonicContact OE2-NH1 2.69Å; N215-R217 PolarHBondContact O-N 3.43Å; R217-E241 PolarHBondContact O-N 3.08Å; R217-S242 PolarHBondContact O-N 3.14Å
218	S	98.6	Very high	96.5	Very high	25 Å²	25	46 Å²	46	18%	0.175	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	126.2	-177.8	-170.8	0	0	0	0	111.3	E193 I194 L195 S242	E193-S218 PolarHBondContact O-N 3.04Å; I194-S218 WeakPolarHBondContact CA-O 3.34Å; L195-S218 PolarHBondContact N-O 2.97Å; S218-S242 WeakPolarHBondContact CA-O 3.29Å
219	L	98.6	Very high	96.6	Very high	0 Å²	0	42 Å²	42	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	121.3	176.5	178.8	59.1	0	0	0	110.1	L195 F210 L216 L221 F234 L237 L240 S242 L243 S244	L195-L219 HydrophobicContact CB-CD1 4.09Å; L195-L219 HydrophobicContact CD2-CD1 3.91Å; L195-L219 HydrophobicContact CG-CD1 4.05Å; F210-L219 HydrophobicContact CD2-CD2 4.24Å; F210-L219 HydrophobicContact CE1-CD1 4.28Å; F210-L219 HydrophobicContact CE2-CD2 4.14Å; F210-L219 HydrophobicContact CG-CD2 4.48Å; F210-L219 HydrophobicContact CZ-CD2 4.29Å; L216-L219 HydrophobicContact CD2-CB 3.96Å; L216-L219 HydrophobicContact CD2-CD1 4.27Å; L216-L219 HydrophobicContact CD2-CG 4.48Å; L219-L221 HydrophobicContact CD1-CD2 4.13Å; L219-L221 HydrophobicContact CD1-CG 4.33Å; L219-L221 HydrophobicContact CD2-CD1 4.1Å; L219-L221 HydrophobicContact CD2-CG 4.33Å; L219-L221 HydrophobicContact CG-CD1 4.32Å; L219-L221 HydrophobicContact CG-CD2 4.35Å; L219-L221 HydrophobicContact CG-CG 4.03Å; L219-F234 HydrophobicContact CD2-CD1 4.34Å; L219-F234 HydrophobicContact CD2-CE1 4.06Å; L219-L237 HydrophobicContact CD2-CD1 4Å; L219-L240 HydrophobicContact CB-CD1 3.85Å; L219-L240 HydrophobicContact CB-CD2 4.42Å; L219-S242 PolarHBondContact N-O 2.89Å; L219-L243 HydrophobicContact CB-CD1 4.03Å; L219-L243 HydrophobicContact CD2-CD1 4Å; L219-L243 HydrophobicContact CG-CD1 4.03Å; L219-L243 WeakPolarHBondContact O-CA 3.43Å; L219-S244 PolarHBondContact O-N 3.06Å; L219-S244 VanDerWaalsContact O-N 3.09Å
220	V	98.4	Very high	96.7	Very high	28 Å²	28	43.5 Å²	43.5	17%	0.17	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	110.4	179.8	-175.8	0	0	0	0	110.2	L195 M196 I197 G198 A222	L195-V220 PolarHBondContact O-N 2.83Å; M196-V220 HydrophobicContact CB-CB 4.44Å; M196-V220 HydrophobicContact CE-CB 4.38Å; M196-V220 HydrophobicContact CE-CG1 4.25Å; M196-V220 HydrophobicContact CE-CG2 4.29Å; M196-V220 HydrophobicContact CG-CB 4.11Å; M196-V220 HydrophobicContact CG-CG2 4.08Å; I197-V220 PolarHBondContact N-O 3.09Å; G198-V220 PolarHBondContact N-O 3.48Å; V220-A222 HydrophobicContact CG1-CB 3.91Å
221	L	97.4	Very high	96.7	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	24%	0.241	C	C	.	.			trans	-111.7	42.1	178.5	-59.7	171.9	0	0	0	110.7	I197 I205 F210 L219 M224 L226 F234 L243 S244 F245 N248	I197-L221 HydrophobicContact CG2-CD2 3.51Å; I205-L221 HydrophobicContact CD1-CD1 3.62Å; I205-L221 HydrophobicContact CD1-CD2 4.28Å; F210-L221 HydrophobicContact CZ-CD2 4.08Å; L219-L221 HydrophobicContact CD1-CD2 4.13Å; L219-L221 HydrophobicContact CD1-CG 4.33Å; L219-L221 HydrophobicContact CD2-CD1 4.1Å; L219-L221 HydrophobicContact CD2-CG 4.33Å; L219-L221 HydrophobicContact CG-CD1 4.32Å; L219-L221 HydrophobicContact CG-CD2 4.35Å; L219-L221 HydrophobicContact CG-CG 4.03Å; L221-M224 HydrophobicContact CB-SD 3.79Å; L221-M224 HydrophobicContact CD2-CE 4.48Å; L221-M224 HydrophobicContact CD2-SD 3.72Å; L221-M224 HydrophobicContact CG-SD 4.38Å; L221-L226 HydrophobicContact CB-CD1 4.39Å; L221-F234 HydrophobicContact CD1-CE1 4.07Å; L221-F234 HydrophobicContact CD1-CZ 4.17Å; L221-L243 HydrophobicContact CD1-CD1 4.31Å; L221-S244 CarbonylContact C-O 3.1Å; L221-S244 WeakPolarHBondContact CA-O 3.44Å; L221-S244 PolarHBondContact N-O 3.03Å; L221-F245 HydrophobicContact CB-CD1 4.3Å; L221-F245 HydrophobicContact CD1-CD1 4.29Å; L221-F245 HydrophobicContact CD1-CE1 3.77Å; L221-N248 PolarHBondContact O-ND2 2.91Å
222	A	96.8	Very high	96.7	Very high	15 Å²	15	41.1 Å²	41.1	12%	0.124	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.9	142.5	-174.6	0	0	0	0	0	112.1	G198 E199 V220 M224 Y246	G198-A222 CarbonylContact C-O 3.55Å; G198-A222 VanDerWaalsContact C-O 3.26Å; G198-A222 WeakPolarHBondContact CA-O 3.29Å; E199-A222 PolarHBondContact N-O 2.86Å; V220-A222 HydrophobicContact CG1-CB 3.91Å; A222-M224 PolarHBondContact O-N 2.93Å; A222-Y246 CarbonylContact C-O 3.57Å; A222-Y246 WeakPolarHBondContact CA-O 3.43Å; A222-Y246 HydrophobicContact CB-CD1 4.27Å
223	G	96.3	Very high	96.8	Very high	23 Å²	23	39.4 Å²	39.4	24%	0.237	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.1	36	168.1	0	0	0	0	0	115.3	E199 Y246 D247	E199-G223 WeakPolarHBondContact CA-O 3.49Å; G223-Y246 PolarHBondContact N-O 2.91Å; G223-D247 VanDerWaalsContact CA-O 3.28Å; G223-D247 WeakPolarHBondContact CA-O 3.44Å; G223-D247 PolarHBondContact N-O 3.45Å
224	M	95.8	Very high	96.9	Very high	1 Å²	1	39.4 Å²	39.4	1%	0.005	22%	0.217	C	C	.	.	S	Bend	trans	-108.1	7.5	-173.9	-65.6	-178.4	68.6	0	0	114	I181 I197 V202 L221 A222 L226 N248	I181-M224 HydrophobicContact CD1-CE 3.95Å; I197-M224 HydrophobicContact CG2-SD 4.4Å; V202-M224 HydrophobicContact CB-CE 3.53Å; V202-M224 HydrophobicContact CG1-CE 4.03Å; V202-M224 HydrophobicContact CG2-CE 3.48Å; V202-M224 VanDerWaalsContact CG2-CE 3.48Å; L221-M224 HydrophobicContact CB-SD 3.79Å; L221-M224 HydrophobicContact CD2-CE 4.48Å; L221-M224 HydrophobicContact CD2-SD 3.72Å; L221-M224 HydrophobicContact CG-SD 4.38Å; A222-M224 PolarHBondContact O-N 2.93Å; M224-L226 HydrophobicContact CB-CD1 3.97Å; M224-L226 HydrophobicContact CB-CD2 4.38Å; M224-L226 HydrophobicContact CB-CG 3.74Å; M224-L226 PolarHBondContact O-N 3.27Å; M224-L226 VanDerWaalsContact O-N 3.11Å; M224-L226 HydrophobicContact SD-CD1 4.3Å; M224-N248 WeakPolarHBondContact CA-OD1 3.48Å; M224-N248 WeakPolarHBondContact CB-OD1 3.49Å; M224-N248 PolarHBondContact N-OD1 3.31Å; M224-N248 VanDerWaalsContact N-OD1 3.12Å
225	D	95.4	Very high	97	Very high	104 Å²	104	40.2 Å²	40.2	56%	0.556	22%	0.217	S	C	*	.			trans	55.1	24.1	-176.1	-71.2	-43.3	0	0	0	115.2	K227 N248 K249	D225-K227 PolarHBondContact O-N 2.79Å; D225-N248 PolarHBondContact N-OD1 2.84Å; D225-K249 HydrophobicContact CB-CG 4.37Å; D225-K249 WeakPolarHBondContact OD1-CE 3.44Å; D225-K249 IonicContact OD1-NZ 3.48Å
226	L	95.8	Very high	96.9	Very high	4 Å²	4	37.6 Å²	37.6	2%	0.021	21%	0.207	C	C	.	.			trans	-66.3	126.2	-176.6	-61.7	169.5	0	0	0	110.8	I205 L221 M224 I229 N248 K249 L250	I205-L226 HydrophobicContact CD1-CD1 3.8Å; I205-L226 HydrophobicContact CD1-CD2 4.41Å; I205-L226 HydrophobicContact CG1-CD1 4.4Å; I205-L226 HydrophobicContact CG1-CD2 4.12Å; L221-L226 HydrophobicContact CB-CD1 4.39Å; M224-L226 HydrophobicContact CB-CD1 3.97Å; M224-L226 HydrophobicContact CB-CD2 4.38Å; M224-L226 HydrophobicContact CB-CG 3.74Å; M224-L226 PolarHBondContact O-N 3.27Å; M224-L226 VanDerWaalsContact O-N 3.11Å; M224-L226 HydrophobicContact SD-CD1 4.3Å; L226-I229 HydrophobicContact CB-CD1 4.32Å; L226-I229 HydrophobicContact CD1-CD1 3.96Å; L226-N248 HydrophobicContact CB-CB 4.26Å; L226-N248 WeakPolarHBondContact CB-OD1 3.48Å; L226-N248 WeakPolarHBondContact CG-OD1 3.06Å; L226-N248 PolarHBondContact N-OD1 2.9Å; L226-K249 CarbonylContact O-C 3.6Å; L226-K249 VanDerWaalsContact O-CA 3.23Å; L226-K249 WeakPolarHBondContact O-CA 3.38Å; L226-K249 PolarHBondContact O-N 2.9Å; L226-L250 HydrophobicContact CB-CD2 4.44Å; L226-L250 PolarHBondContact O-N 3.02Å; L226-L250 VanDerWaalsContact O-N 3.11Å
227	K	94.9	Very high	96.9	Very high	162 Å²	162	37.6 Å²	37.6	70%	0.704	21%	0.207	S	C	*	.			trans	-94.5	-31.3	179.5	-66.2	-179.3	-178.3	177.3	0	113.7	D225 K249	D225-K227 PolarHBondContact O-N 2.79Å; K227-K249 HydrophobicContact CG-CB 3.99Å
228	D	95.1	Very high	96.6	Very high	121 Å²	121	36 Å²	36	65%	0.647	21%	0.208	S	C	*	.			trans	-152.8	159.9	179.8	-169.3	19.5	0	0	0	109.6
229	I	97.1	Very high	96.6	Very high	7 Å²	7	38.3 Å²	38.3	4%	0.036	22%	0.218	C	C	.	.			trans	-124.7	123.3	179	-53.2	-64.7	0	0	0	108.9	I205 L226 A233 F234 F245 L250 P254 A257	I205-I229 HydrophobicContact CD1-CD1 4.07Å; L226-I229 HydrophobicContact CB-CD1 4.32Å; L226-I229 HydrophobicContact CD1-CD1 3.96Å; I229-A233 HydrophobicContact CG2-CB 3.8Å; I229-F234 HydrophobicContact CG2-CE2 3.74Å; I229-F234 HydrophobicContact CG2-CZ 3.83Å; I229-F245 HydrophobicContact CD1-CD1 4.39Å; I229-F245 HydrophobicContact CD1-CE1 3.68Å; I229-F245 HydrophobicContact CD1-CZ 4.38Å; I229-F245 HydrophobicContact CG1-CE1 3.91Å; I229-F245 HydrophobicContact CG1-CZ 4.16Å; I229-L250 HydrophobicContact CD1-CD2 4.34Å; I229-L250 HydrophobicContact CG1-CD2 3.99Å; I229-P254 HydrophobicContact CB-CB 3.76Å; I229-P254 HydrophobicContact CB-CG 4.43Å; I229-P254 HydrophobicContact CG1-CB 3.98Å; I229-P254 HydrophobicContact CG1-CG 4.16Å; I229-A257 HydrophobicContact CG2-CB 3.83Å
230	P	97	Very high	96.5	Very high	38 Å²	38	38.3 Å²	38.3	25%	0.247	22%	0.218	C	C	.	.			trans	-57.8	146.3	176.5	-24.6	33.3	0	0	0	113.3	I205 D207 N232 A233 A257	I205-P230 WeakPolarHBondContact O-CD 3.42Å; I205-P230 WeakPolarHBondContact O-CG 3.3Å; D207-P230 WeakPolarHBondContact OD1-CB 3.25Å; P230-N232 PolarHBondContact O-N 3Å; P230-N232 VanDerWaalsContact O-N 3.15Å; P230-A233 HydrophobicContact CB-CB 4.29Å; P230-A233 VanDerWaalsContact O-CB 3.26Å; P230-A233 WeakPolarHBondContact O-CB 3.48Å; P230-A233 PolarHBondContact O-N 2.97Å; P230-A233 VanDerWaalsContact O-N 3.1Å; P230-A257 WeakPolarHBondContact O-CB 3.39Å
231	G	96.9	Very high	96.6	Very high	23 Å²	23	40 Å²	40	24%	0.237	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-23	-173.7	0	0	0	0	0	115.2
232	N	97.7	Very high	96.6	Very high	56 Å²	56	41.7 Å²	41.7	30%	0.299	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-112.5	15.9	176.9	-52.4	-57.7	0	0	0	112.8	D207 F208 P230 F234 V235	D207-N232 HydrophobicContact CB-CB 4.09Å; D207-N232 VanDerWaalsContact OD1-CA 3.3Å; D207-N232 WeakPolarHBondContact OD1-CA 3.12Å; D207-N232 WeakPolarHBondContact OD1-CB 3.41Å; D207-N232 PolarHBondContact OD1-N 3.06Å; F208-N232 HydrophobicContact CE1-CB 4.01Å; F208-N232 HydrophobicContact CE2-CB 4.39Å; F208-N232 HydrophobicContact CZ-CB 3.92Å; F208-N232 PolarHBondContact N-O 2.69Å; P230-N232 PolarHBondContact O-N 3Å; P230-N232 VanDerWaalsContact O-N 3.15Å; N232-F234 PolarHBondContact O-N 2.65Å; N232-V235 HydrophobicContact CB-CG2 3.78Å; N232-V235 PolarHBondContact O-N 3.17Å
233	A	97.7	Very high	96.7	Very high	0 Å²	0	41 Å²	41	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-37.3	-179.2	0	0	0	0	0	113.2	I205 D207 I229 P230	I205-A233 HydrophobicContact CG2-CB 3.84Å; D207-A233 PolarHBondContact OD1-N 3.22Å; I229-A233 HydrophobicContact CG2-CB 3.8Å; P230-A233 HydrophobicContact CB-CB 4.29Å; P230-A233 VanDerWaalsContact O-CB 3.26Å; P230-A233 WeakPolarHBondContact O-CB 3.48Å; P230-A233 PolarHBondContact O-N 2.97Å; P230-A233 VanDerWaalsContact O-N 3.1Å
234	F	97.7	Very high	96.8	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.5	12.8	-175.4	-55.7	-48.1	0	0	0	114.9	F210 L219 L221 I229 N232 G236 L237 L243 F245 A257 L261	F210-F234 HydrophobicContact CD2-CD1 4.05Å; F210-F234 HydrophobicContact CD2-CE1 4.22Å; F210-F234 HydrophobicContact CE2-CD1 4.37Å; F210-F234 HydrophobicContact CE2-CE1 4.07Å; L219-F234 HydrophobicContact CD2-CD1 4.34Å; L219-F234 HydrophobicContact CD2-CE1 4.06Å; L221-F234 HydrophobicContact CD1-CE1 4.07Å; L221-F234 HydrophobicContact CD1-CZ 4.17Å; I229-F234 HydrophobicContact CG2-CE2 3.74Å; I229-F234 HydrophobicContact CG2-CZ 3.83Å; N232-F234 PolarHBondContact O-N 2.65Å; F234-G236 PolarHBondContact O-N 3.47Å; F234-L237 HydrophobicContact CB-CD1 4.07Å; F234-L237 HydrophobicContact CD1-CD1 3.83Å; F234-L237 HydrophobicContact CG-CD1 4.34Å; F234-L237 WeakPolarHBondContact O-CB 3.47Å; F234-L237 PolarHBondContact O-N 2.9Å; F234-L243 HydrophobicContact CD2-CD2 4.48Å; F234-L243 HydrophobicContact CE2-CD2 4.02Å; F234-L243 HydrophobicContact CZ-CD2 4.21Å; F234-F245 AromaticContact CE2-CZ 3.73Å; F234-F245 HydrophobicContact CE2-CZ 3.73Å; F234-F245 AromaticContact CZ-CE1 3.96Å; F234-F245 HydrophobicContact CZ-CE1 3.96Å; F234-F245 AromaticContact CZ-CZ 3.53Å; F234-F245 HydrophobicContact CZ-CZ 3.53Å; F234-A257 HydrophobicContact CD2-CB 3.77Å; F234-A257 HydrophobicContact CE2-CB 3.92Å; F234-L261 HydrophobicContact CB-CD1 4.4Å; F234-L261 HydrophobicContact CB-CD2 3.77Å; F234-L261 HydrophobicContact CB-CG 4.13Å; F234-L261 HydrophobicContact CD2-CD1 4.01Å; F234-L261 HydrophobicContact CG-CD1 4.33Å; F234-L261 HydrophobicContact CG-CD2 4.46Å
235	V	97.2	Very high	96.9	Very high	41 Å²	41	40.6 Å²	40.6	25%	0.248	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	129.6	174.9	172.1	0	0	0	0	110	F208 K211 N232 K260	F208-V235 HydrophobicContact CD1-CB 3.75Å; F208-V235 HydrophobicContact CD1-CG1 3.85Å; F208-V235 HydrophobicContact CD1-CG2 4.41Å; F208-V235 HydrophobicContact CE1-CB 3.9Å; F208-V235 HydrophobicContact CE1-CG1 3.85Å; F208-V235 HydrophobicContact CE1-CG2 4.13Å; K211-V235 WeakPolarHBondContact CA-O 3.15Å; N232-V235 HydrophobicContact CB-CG2 3.78Å; N232-V235 PolarHBondContact O-N 3.17Å; V235-K260 HydrophobicContact CG2-CB 4.47Å; V235-K260 HydrophobicContact CG2-CD 4.35Å; V235-K260 HydrophobicContact CG2-CG 4.14Å
236	G	94.9	Very high	97.1	Very high	15 Å²	15	40 Å²	40	16%	0.155	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	103	-12.1	-175.9	0	0	0	0	0	113.9	G214 F234 D238	G214-G236 WeakPolarHBondContact CA-O 3.1Å; F234-G236 PolarHBondContact O-N 3.47Å; G236-D238 VanDerWaalsContact C-N 3.26Å; G236-D238 PolarHBondContact O-N 2.94Å; G236-D238 VanDerWaalsContact O-N 3.12Å
237	L	97.2	Very high	97.1	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.005	22%	0.224	C	C	.	.			trans	-87.3	54.7	178.3	-62	-173.9	0	0	0	112.1	F210 L213 L216 L219 F234 N239 L240 L261	F210-L237 HydrophobicContact CB-CD1 3.94Å; F210-L237 HydrophobicContact CB-CD2 3.86Å; F210-L237 HydrophobicContact CB-CG 4.05Å; F210-L237 HydrophobicContact CD2-CD1 4.48Å; F210-L237 HydrophobicContact CG-CD1 4.42Å; L213-L237 HydrophobicContact CB-CD2 3.87Å; L213-L237 WeakPolarHBondContact O-CD2 3.33Å; L216-L237 HydrophobicContact CB-CD2 4.05Å; L216-L237 HydrophobicContact CD2-CD2 3.88Å; L219-L237 HydrophobicContact CD2-CD1 4Å; F234-L237 HydrophobicContact CB-CD1 4.07Å; F234-L237 HydrophobicContact CD1-CD1 3.83Å; F234-L237 HydrophobicContact CG-CD1 4.34Å; F234-L237 WeakPolarHBondContact O-CB 3.47Å; F234-L237 PolarHBondContact O-N 2.9Å; L237-N239 VanDerWaalsContact C-N 3.28Å; L237-N239 PolarHBondContact O-N 3.24Å; L237-L240 HydrophobicContact CB-CB 4.06Å; L237-L240 HydrophobicContact CB-CD2 4.48Å; L237-L240 HydrophobicContact CD1-CD2 4.05Å; L237-L240 WeakPolarHBondContact O-CB 3.43Å; L237-L240 PolarHBondContact O-N 3.25Å; L237-L261 HydrophobicContact CB-CD2 3.82Å
238	D	93.1	Very high	97.3	Very high	92 Å²	92	34 Å²	34	49%	0.492	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-26	-171.1	-63.4	-43.7	0	0	0	113.3	G236 N263	G236-D238 VanDerWaalsContact C-N 3.26Å; G236-D238 PolarHBondContact O-N 2.94Å; G236-D238 VanDerWaalsContact O-N 3.12Å; D238-N263 PolarHBondContact O-ND2 3.09Å
239	N	96.9	Very high	97.4	Very high	73 Å²	73	32.3 Å²	32.3	39%	0.39	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.6	6.9	-179.4	-67.6	-49.4	0	0	0	114.1	G214 L216 L237 E241	G214-N239 PolarHBondContact O-ND2 2.95Å; L216-N239 CarbonylContact O-C 3.47Å; L237-N239 VanDerWaalsContact C-N 3.28Å; L237-N239 PolarHBondContact O-N 3.24Å; N239-E241 WeakPolarHBondContact O-CG 3.44Å; N239-E241 PolarHBondContact O-N 2.95Å
240	L	98.4	Very high	97.4	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.			trans	-68.4	123.8	-175.5	-165.2	77.2	0	0	0	110.9	L216 L219 L237 L243 L261 N263 L264	L216-L240 HydrophobicContact CB-CD1 4.32Å; L216-L240 HydrophobicContact CD2-CD1 3.97Å; L216-L240 HydrophobicContact CG-CD1 4.02Å; L216-L240 WeakPolarHBondContact O-CA 3.46Å; L216-L240 PolarHBondContact O-N 2.78Å; L216-L240 VanDerWaalsContact O-N 3.16Å; L219-L240 HydrophobicContact CB-CD1 3.85Å; L219-L240 HydrophobicContact CB-CD2 4.42Å; L237-L240 HydrophobicContact CB-CB 4.06Å; L237-L240 HydrophobicContact CB-CD2 4.48Å; L237-L240 HydrophobicContact CD1-CD2 4.05Å; L237-L240 WeakPolarHBondContact O-CB 3.43Å; L237-L240 PolarHBondContact O-N 3.25Å; L240-L243 HydrophobicContact CD2-CB 4.21Å; L240-L243 HydrophobicContact CD2-CD1 4.48Å; L240-L261 HydrophobicContact CB-CD2 4.13Å; L240-L261 HydrophobicContact CD2-CD1 4.05Å; L240-L261 HydrophobicContact CD2-CD2 3.75Å; L240-N263 CarbonylContact O-C 3.07Å; L240-L264 HydrophobicContact CD2-CD1 4.37Å; L240-L264 WeakPolarHBondContact O-CA 3.26Å; L240-L264 PolarHBondContact O-N 2.98Å
241	E	98.5	Very high	97.3	Very high	64 Å²	64	34.9 Å²	34.9	30%	0.299	19%	0.192	S	C	.	.			trans	-107.7	-29.5	-178.5	-52.9	-161.5	158.9	0	0	112.3	R217 N239 K265 F266	R217-E241 PolarHBondContact O-N 3.08Å; N239-E241 WeakPolarHBondContact O-CG 3.44Å; N239-E241 PolarHBondContact O-N 2.95Å; E241-K265 HydrophobicContact CB-CD 4.29Å; E241-K265 HydrophobicContact CB-CG 4.5Å; E241-K265 WeakPolarHBondContact O-CA 3.43Å; E241-K265 PolarHBondContact O-N 2.99Å; E241-K265 IonicContact OE1-NZ 3.9Å; E241-K265 PolarHBondContact OE1-NZ 3.27Å; E241-K265 IonicContact OE2-NZ 3.77Å; E241-K265 PolarHBondContact OE2-NZ 3.48Å; E241-F266 PolarHBondContact O-N 2.87Å
242	S	98.7	Very high	97.2	Very high	36 Å²	36	35.6 Å²	35.6	25%	0.252	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	130.8	-176.6	-175.2	0	0	0	0	111.3	R217 S218 L219 F266	R217-S242 PolarHBondContact O-N 3.14Å; S218-S242 WeakPolarHBondContact CA-O 3.29Å; L219-S242 PolarHBondContact N-O 2.89Å; S242-F266 WeakPolarHBondContact CA-O 3.49Å
243	L	98.7	Very high	97.2	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	125.6	177	-179.7	59.3	0	0	0	110.1	L219 L221 F234 L240 F245 L258 L261 L264 F266 L267 D268	L219-L243 HydrophobicContact CB-CD1 4.03Å; L219-L243 HydrophobicContact CD2-CD1 4Å; L219-L243 HydrophobicContact CG-CD1 4.03Å; L219-L243 WeakPolarHBondContact O-CA 3.43Å; L221-L243 HydrophobicContact CD1-CD1 4.31Å; F234-L243 HydrophobicContact CD2-CD2 4.48Å; F234-L243 HydrophobicContact CE2-CD2 4.02Å; F234-L243 HydrophobicContact CZ-CD2 4.21Å; L240-L243 HydrophobicContact CD2-CB 4.21Å; L240-L243 HydrophobicContact CD2-CD1 4.48Å; L243-F245 HydrophobicContact CD1-CE2 4.38Å; L243-F245 HydrophobicContact CD1-CZ 4.28Å; L243-F245 HydrophobicContact CD2-CD2 4.44Å; L243-F245 HydrophobicContact CD2-CE2 3.5Å; L243-F245 HydrophobicContact CD2-CZ 3.75Å; L243-F245 HydrophobicContact CG-CD2 4.28Å; L243-F245 HydrophobicContact CG-CE2 3.76Å; L243-F245 HydrophobicContact CG-CZ 4.11Å; L243-L258 HydrophobicContact CD2-CD2 3.94Å; L243-L261 HydrophobicContact CD2-CD1 3.66Å; L243-L264 HydrophobicContact CB-CD1 3.7Å; L243-F266 PolarHBondContact N-O 3.01Å; L243-L267 HydrophobicContact CB-CD1 4.38Å; L243-L267 HydrophobicContact CD2-CD1 4.43Å; L243-L267 HydrophobicContact CG-CD1 4.41Å; L243-D268 PolarHBondContact O-N 3.44Å
244	S	98.6	Very high	97.1	Very high	14 Å²	14	34 Å²	34	10%	0.098	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	129.2	174.8	178.2	0	0	0	0	112.1	L219 L221 Y246 D268	L219-S244 PolarHBondContact O-N 3.06Å; L219-S244 VanDerWaalsContact O-N 3.09Å; L221-S244 CarbonylContact C-O 3.1Å; L221-S244 WeakPolarHBondContact CA-O 3.44Å; L221-S244 PolarHBondContact N-O 3.03Å; S244-Y246 WeakPolarHBondContact OG-CB 3.04Å; S244-Y246 PolarHBondContact OG-N 3.5Å; S244-D268 PolarHBondContact OG-OD2 3.3Å
245	F	98	Very high	97	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.205	C	C	.	.			trans	-111	25.1	168.3	-64.3	-73.2	0	0	0	111.7	L221 I229 F234 L243 D247 N248 L250 P254 L258 L267 D268 L269 N272	L221-F245 HydrophobicContact CB-CD1 4.3Å; L221-F245 HydrophobicContact CD1-CD1 4.29Å; L221-F245 HydrophobicContact CD1-CE1 3.77Å; I229-F245 HydrophobicContact CD1-CD1 4.39Å; I229-F245 HydrophobicContact CD1-CE1 3.68Å; I229-F245 HydrophobicContact CD1-CZ 4.38Å; I229-F245 HydrophobicContact CG1-CE1 3.91Å; I229-F245 HydrophobicContact CG1-CZ 4.16Å; F234-F245 AromaticContact CE2-CZ 3.73Å; F234-F245 HydrophobicContact CE2-CZ 3.73Å; F234-F245 AromaticContact CZ-CE1 3.96Å; F234-F245 HydrophobicContact CZ-CE1 3.96Å; F234-F245 AromaticContact CZ-CZ 3.53Å; F234-F245 HydrophobicContact CZ-CZ 3.53Å; L243-F245 HydrophobicContact CD1-CE2 4.38Å; L243-F245 HydrophobicContact CD1-CZ 4.28Å; L243-F245 HydrophobicContact CD2-CD2 4.44Å; L243-F245 HydrophobicContact CD2-CE2 3.5Å; L243-F245 HydrophobicContact CD2-CZ 3.75Å; L243-F245 HydrophobicContact CG-CD2 4.28Å; L243-F245 HydrophobicContact CG-CE2 3.76Å; L243-F245 HydrophobicContact CG-CZ 4.11Å; F245-D247 PolarHBondContact O-N 3.15Å; F245-N248 VanDerWaalsContact C-ND2 3.29Å; F245-N248 PolarHBondContact O-N 3.19Å; F245-N248 PolarHBondContact O-ND2 3.09Å; F245-L250 HydrophobicContact CB-CD1 3.91Å; F245-L250 HydrophobicContact CD1-CD1 4.15Å; F245-L250 HydrophobicContact CD2-CD1 4.37Å; F245-L250 HydrophobicContact CG-CD1 3.91Å; F245-P254 HydrophobicContact CE2-CG 4.31Å; F245-P254 HydrophobicContact CZ-CG 4.44Å; F245-L258 HydrophobicContact CE2-CD2 4.37Å; F245-L267 HydrophobicContact CD2-CD1 4.21Å; F245-L267 HydrophobicContact CE2-CD1 4.3Å; F245-D268 PolarHBondContact N-O 3.07Å; F245-L269 HydrophobicContact CB-CD2 4.34Å; F245-L269 HydrophobicContact CD2-CD2 3.79Å; F245-L269 HydrophobicContact CG-CD2 4.46Å; F245-N272 PolarHBondContact O-ND2 2.88Å
246	Y	98.2	Very high	96.9	Very high	92 Å²	92	44.2 Å²	44.2	36%	0.361	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-46.6	131.7	-178.8	178.9	-94.2	0	0	0	111.9	A222 G223 S244 N248 N270 K271	A222-Y246 CarbonylContact C-O 3.57Å; A222-Y246 WeakPolarHBondContact CA-O 3.43Å; A222-Y246 HydrophobicContact CB-CD1 4.27Å; G223-Y246 PolarHBondContact N-O 2.91Å; S244-Y246 WeakPolarHBondContact OG-CB 3.04Å; S244-Y246 PolarHBondContact OG-N 3.5Å; Y246-N248 PolarHBondContact O-ND2 3.04Å; Y246-N270 WeakPolarHBondContact CA-O 3.4Å; Y246-N270 HydrophobicContact CD2-CB 3.85Å; Y246-N270 HydrophobicContact CE2-CB 4.28Å; Y246-K271 HydrophobicContact CE1-CD 4.43Å; Y246-K271 HydrophobicContact CE2-CB 4.34Å; Y246-K271 HydrophobicContact CE2-CD 4.48Å
247	D	97.6	Very high	97	Very high	41 Å²	41	43.5 Å²	43.5	22%	0.219	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.2	49.7	174.3	-157.8	17.2	0	0	0	115.2	G223 F245 N270 K271	G223-D247 VanDerWaalsContact CA-O 3.28Å; G223-D247 WeakPolarHBondContact CA-O 3.44Å; G223-D247 PolarHBondContact N-O 3.45Å; F245-D247 PolarHBondContact O-N 3.15Å; D247-N270 PolarHBondContact N-O 3.5Å; D247-K271 HydrophobicContact CB-CB 4.36Å; D247-K271 HydrophobicContact CB-CD 3.8Å; D247-K271 HydrophobicContact CB-CG 4.27Å; D247-K271 VanDerWaalsContact CG-CD 3.49Å; D247-K271 VanDerWaalsContact OD1-CD 3.31Å; D247-K271 WeakPolarHBondContact OD1-CD 3.28Å; D247-K271 WeakPolarHBondContact OD1-CE 3.47Å; D247-K271 IonicContact OD1-NZ 2.79Å; D247-K271 PolarHBondContact OD1-NZ 3.21Å; D247-K271 WeakPolarHBondContact OD2-CE 3.45Å; D247-K271 IonicContact OD2-NZ 3.29Å; D247-K271 PolarHBondContact OD2-NZ 2.79Å
248	N	97.8	Very high	97	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.221	C	C	.	.			trans	-108.3	-168.1	170.8	-78.8	-77.2	0	0	0	111.5	L221 M224 D225 L226 F245 Y246 L250 N272 P273	L221-N248 PolarHBondContact O-ND2 2.91Å; M224-N248 WeakPolarHBondContact CA-OD1 3.48Å; M224-N248 WeakPolarHBondContact CB-OD1 3.49Å; M224-N248 PolarHBondContact N-OD1 3.31Å; M224-N248 VanDerWaalsContact N-OD1 3.12Å; D225-N248 PolarHBondContact N-OD1 2.84Å; L226-N248 HydrophobicContact CB-CB 4.26Å; L226-N248 WeakPolarHBondContact CB-OD1 3.48Å; L226-N248 WeakPolarHBondContact CG-OD1 3.06Å; L226-N248 PolarHBondContact N-OD1 2.9Å; F245-N248 VanDerWaalsContact C-ND2 3.29Å; F245-N248 PolarHBondContact O-N 3.19Å; F245-N248 PolarHBondContact O-ND2 3.09Å; Y246-N248 PolarHBondContact O-ND2 3.04Å; N248-L250 HydrophobicContact CB-CG 4.3Å; N248-N272 VanDerWaalsContact CA-OD1 3.3Å; N248-N272 WeakPolarHBondContact CA-OD1 2.94Å; N248-N272 WeakPolarHBondContact CB-OD1 3.27Å; N248-N272 PolarHBondContact N-OD1 2.9Å; N248-N272 PolarHBondContact O-OD1 3.38Å; N248-P273 WeakPolarHBondContact O-CD 3.1Å
249	K	96.9	Very high	97.1	Very high	84 Å²	84	44.6 Å²	44.6	37%	0.365	22%	0.223	S	C	.	.			trans	-116.8	28.4	-179.1	-54.9	-59.2	171.5	-144.4	0	112.1	D225 L226 K227 V251 N272	D225-K249 HydrophobicContact CB-CG 4.37Å; D225-K249 WeakPolarHBondContact OD1-CE 3.44Å; D225-K249 IonicContact OD1-NZ 3.48Å; L226-K249 CarbonylContact O-C 3.6Å; L226-K249 VanDerWaalsContact O-CA 3.23Å; L226-K249 WeakPolarHBondContact O-CA 3.38Å; L226-K249 PolarHBondContact O-N 2.9Å; K227-K249 HydrophobicContact CG-CB 3.99Å; K249-V251 PolarHBondContact O-N 3.26Å; K249-N272 PolarHBondContact N-OD1 2.9Å
250	L	97.1	Very high	97	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.005	22%	0.224	C	C	.	.			trans	-65.6	117.9	179.7	-59.6	175.9	0	0	0	110	L226 I229 F245 N248 L269 N272 P273 V274	L226-L250 HydrophobicContact CB-CD2 4.44Å; L226-L250 PolarHBondContact O-N 3.02Å; L226-L250 VanDerWaalsContact O-N 3.11Å; I229-L250 HydrophobicContact CD1-CD2 4.34Å; I229-L250 HydrophobicContact CG1-CD2 3.99Å; F245-L250 HydrophobicContact CB-CD1 3.91Å; F245-L250 HydrophobicContact CD1-CD1 4.15Å; F245-L250 HydrophobicContact CD2-CD1 4.37Å; F245-L250 HydrophobicContact CG-CD1 3.91Å; N248-L250 HydrophobicContact CB-CG 4.3Å; L250-L269 HydrophobicContact CD1-CD2 4.35Å; L250-N272 HydrophobicContact CB-CB 4.25Å; L250-N272 WeakPolarHBondContact CB-OD1 3.33Å; L250-N272 WeakPolarHBondContact CG-OD1 3.14Å; L250-N272 PolarHBondContact N-OD1 2.78Å; L250-N272 VanDerWaalsContact N-OD1 3.12Å; L250-P273 CarbonylContact O-C 3.47Å; L250-P273 VanDerWaalsContact O-C 3.29Å; L250-P273 VanDerWaalsContact O-CD 3.26Å; L250-P273 WeakPolarHBondContact O-CD 3.35Å; L250-P273 WeakPolarHBondContact O-CG 3.15Å; L250-V274 WeakPolarHBondContact O-CG2 3.31Å; L250-V274 PolarHBondContact O-N 3.24Å
251	V	94.8	Very high	97	Very high	99 Å²	99	46 Å²	46	60%	0.6	23%	0.226	S	C	*	.	S	Bend	trans	-83.4	-18.2	179.2	-176.1	0	0	0	0	111.7	K249 V274 H275	K249-V251 PolarHBondContact O-N 3.26Å; V251-V274 WeakPolarHBondContact O-CA 3.24Å; V251-H275 PolarHBondContact O-N 3.21Å
252	G	95.8	Very high	96.8	Very high	37 Å²	37	46.6 Å²	46.6	38%	0.381	24%	0.235	S	C	.	.	S	Bend	trans	-147.7	167.8	176.6	0	0	0	0	0	111.7
253	V	97.2	Very high	96.7	Very high	14 Å²	14	47.6 Å²	47.6	9%	0.085	24%	0.238	C	C	.	.			trans	-72.7	130	176.2	-178.9	0	0	0	0	109.4	Q255 L258 L269 V274 I277 D281 F282	V253-Q255 PolarHBondContact O-N 2.8Å; V253-L258 HydrophobicContact CG1-CD1 3.64Å; V253-L269 HydrophobicContact CG1-CD1 4.46Å; V253-L269 HydrophobicContact CG2-CD1 4.24Å; V253-V274 HydrophobicContact CG2-CG1 4.41Å; V253-I277 HydrophobicContact CG2-CD1 3.72Å; V253-D281 HydrophobicContact CB-CB 3.91Å; V253-D281 HydrophobicContact CG1-CB 4.04Å; V253-D281 HydrophobicContact CG2-CB 4.08Å; V253-F282 HydrophobicContact CG1-CD1 4.4Å; V253-F282 HydrophobicContact CG1-CE1 3.72Å; V253-F282 HydrophobicContact CG1-CZ 3.99Å; V253-F282 HydrophobicContact CG2-CE1 4.46Å; V253-F282 HydrophobicContact CG2-CE2 4.43Å; V253-F282 HydrophobicContact CG2-CZ 3.87Å
254	P	96.4	Very high	96.7	Very high	9 Å²	9	47.7 Å²	47.7	6%	0.058	24%	0.238	C	C	.	.			trans	-77.5	63	-178.6	31.3	-34.9	0	0	0	112.1	I229 F245 R256 A257 L258	I229-P254 HydrophobicContact CB-CB 3.76Å; I229-P254 HydrophobicContact CB-CG 4.43Å; I229-P254 HydrophobicContact CG1-CB 3.98Å; I229-P254 HydrophobicContact CG1-CG 4.16Å; F245-P254 HydrophobicContact CE2-CG 4.31Å; F245-P254 HydrophobicContact CZ-CG 4.44Å; P254-R256 VanDerWaalsContact C-N 3.33Å; P254-R256 PolarHBondContact O-N 3.08Å; P254-A257 HydrophobicContact CB-CB 4.44Å; P254-A257 PolarHBondContact O-N 3.37Å; P254-A257 VanDerWaalsContact O-N 3.09Å; P254-L258 HydrophobicContact CG-CD1 4.2Å; P254-L258 HydrophobicContact CG-CG 4.19Å; P254-L258 WeakPolarHBondContact O-CG 3.34Å; P254-L258 PolarHBondContact O-N 2.84Å
255	Q	95	Very high	96.7	Very high	61 Å²	61	49.4 Å²	49.4	29%	0.285	24%	0.244	S	C	.	.	H	α-helix	trans	-48.9	-48.3	-171.8	-176.1	-167	14.2	0	0	113.3	V253 A257 L258 Q259 G280	V253-Q255 PolarHBondContact O-N 2.8Å; Q255-A257 VanDerWaalsContact C-N 3.3Å; Q255-A257 PolarHBondContact O-N 2.99Å; Q255-L258 PolarHBondContact O-N 2.92Å; Q255-Q259 VanDerWaalsContact O-CG 3.32Å; Q255-Q259 WeakPolarHBondContact O-CG 3.38Å; Q255-Q259 PolarHBondContact O-N 3.39Å; Q255-G280 VanDerWaalsContact CD-O 3.29Å; Q255-G280 WeakPolarHBondContact CG-O 3.5Å; Q255-G280 PolarHBondContact NE2-O 3.48Å
256	R	95.5	Very high	96.7	Very high	194 Å²	194	53.4 Å²	53.4	73%	0.732	26%	0.262	S	S	*	.	H	α-helix	trans	-63.3	-36.9	-175.7	-66.1	-177.3	-175	168.6	2.8	112.6	P254	P254-R256 VanDerWaalsContact C-N 3.33Å; P254-R256 PolarHBondContact O-N 3.08Å
257	A	97.3	Very high	96.7	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-75.7	-43.2	179	0	0	0	0	0	110.9	I229 P230 F234 P254 Q255 Q259 K260	I229-A257 HydrophobicContact CG2-CB 3.83Å; P230-A257 WeakPolarHBondContact O-CB 3.39Å; F234-A257 HydrophobicContact CD2-CB 3.77Å; F234-A257 HydrophobicContact CE2-CB 3.92Å; P254-A257 HydrophobicContact CB-CB 4.44Å; P254-A257 PolarHBondContact O-N 3.37Å; P254-A257 VanDerWaalsContact O-N 3.09Å; Q255-A257 VanDerWaalsContact C-N 3.3Å; Q255-A257 PolarHBondContact O-N 2.99Å; A257-Q259 VanDerWaalsContact C-N 3.29Å; A257-Q259 PolarHBondContact O-N 3.34Å; A257-K260 WeakPolarHBondContact O-CB 3.49Å; A257-K260 PolarHBondContact O-N 2.92Å
258	L	97.1	Very high	96.8	Very high	3 Å²	3	49.1 Å²	49.1	2%	0.016	25%	0.245	C	C	.	.	H	α-helix	trans	-63.1	-33.2	178.5	-67.4	174.9	0	0	0	112.7	L243 F245 V253 P254 Q255 K260 L261 L264 L267 M285	L243-L258 HydrophobicContact CD2-CD2 3.94Å; F245-L258 HydrophobicContact CE2-CD2 4.37Å; V253-L258 HydrophobicContact CG1-CD1 3.64Å; P254-L258 HydrophobicContact CG-CD1 4.2Å; P254-L258 HydrophobicContact CG-CG 4.19Å; P254-L258 WeakPolarHBondContact O-CG 3.34Å; P254-L258 PolarHBondContact O-N 2.84Å; Q255-L258 PolarHBondContact O-N 2.92Å; L258-K260 PolarHBondContact O-N 2.77Å; L258-K260 VanDerWaalsContact O-N 3.12Å; L258-L261 HydrophobicContact CD2-CD1 4.25Å; L258-L261 WeakPolarHBondContact O-CB 3.22Å; L258-L261 PolarHBondContact O-N 3.35Å; L258-L264 HydrophobicContact CD2-CD2 4.24Å; L258-L267 HydrophobicContact CD1-CD2 3.84Å; L258-L267 HydrophobicContact CD2-CD1 4.08Å; L258-L267 HydrophobicContact CD2-CD2 4.18Å; L258-M285 HydrophobicContact CB-CE 4.47Å
259	Q	94.5	Very high	96.8	Very high	113 Å²	113	49.1 Å²	49.1	53%	0.528	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.1	-14.6	174.1	-76.7	174.7	-2.9	0	0	114	Q255 A257 L261	Q255-Q259 VanDerWaalsContact O-CG 3.32Å; Q255-Q259 WeakPolarHBondContact O-CG 3.38Å; Q255-Q259 PolarHBondContact O-N 3.39Å; A257-Q259 VanDerWaalsContact C-N 3.29Å; A257-Q259 PolarHBondContact O-N 3.34Å; Q259-L261 VanDerWaalsContact C-N 3.27Å
260	K	95.8	Very high	96.9	Very high	94 Å²	94	46.2 Å²	46.2	41%	0.409	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-0.1	174.9	-54.1	-56.1	-176.9	-177.9	0	113.3	V235 A257 L258 P262	V235-K260 HydrophobicContact CG2-CB 4.47Å; V235-K260 HydrophobicContact CG2-CD 4.35Å; V235-K260 HydrophobicContact CG2-CG 4.14Å; A257-K260 WeakPolarHBondContact O-CB 3.49Å; A257-K260 PolarHBondContact O-N 2.92Å; L258-K260 PolarHBondContact O-N 2.77Å; L258-K260 VanDerWaalsContact O-N 3.12Å; K260-P262 VanDerWaalsContact O-CD 3.23Å; K260-P262 WeakPolarHBondContact O-CD 3.38Å
261	L	97.3	Very high	96.9	Very high	10 Å²	10	50.1 Å²	50.1	5%	0.052	25%	0.25	C	S	.	.			trans	-113	84	-175.1	-61.4	173	0	0	0	110.7	F234 L237 L240 L243 L258 Q259 N263 L264	F234-L261 HydrophobicContact CB-CD1 4.4Å; F234-L261 HydrophobicContact CB-CD2 3.77Å; F234-L261 HydrophobicContact CB-CG 4.13Å; F234-L261 HydrophobicContact CD2-CD1 4.01Å; F234-L261 HydrophobicContact CG-CD1 4.33Å; F234-L261 HydrophobicContact CG-CD2 4.46Å; L237-L261 HydrophobicContact CB-CD2 3.82Å; L240-L261 HydrophobicContact CB-CD2 4.13Å; L240-L261 HydrophobicContact CD2-CD1 4.05Å; L240-L261 HydrophobicContact CD2-CD2 3.75Å; L243-L261 HydrophobicContact CD2-CD1 3.66Å; L258-L261 HydrophobicContact CD2-CD1 4.25Å; L258-L261 WeakPolarHBondContact O-CB 3.22Å; L258-L261 PolarHBondContact O-N 3.35Å; Q259-L261 VanDerWaalsContact C-N 3.27Å; L261-N263 VanDerWaalsContact C-N 3.3Å; L261-N263 PolarHBondContact O-N 2.9Å; L261-L264 HydrophobicContact CB-CB 4.03Å; L261-L264 HydrophobicContact CD1-CD1 4.45Å; L261-L264 HydrophobicContact CD1-CD2 4.17Å
262	P	94.3	Very high	97.1	Very high	75 Å²	75	45.5 Å²	45.5	49%	0.487	22%	0.222	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-23.6	-171.6	28.3	-36.1	0	0	0	114.1	K260 R287	K260-P262 VanDerWaalsContact O-CD 3.23Å; K260-P262 WeakPolarHBondContact O-CD 3.38Å; P262-R287 WeakPolarHBondContact O-CG 3.48Å
263	N	96.8	Very high	97.2	Very high	58 Å²	58	45.5 Å²	45.5	31%	0.31	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	10.7	-174.7	-70.7	-48.9	0	0	0	113.8	D238 L240 L261 K265	D238-N263 PolarHBondContact O-ND2 3.09Å; L240-N263 CarbonylContact O-C 3.07Å; L261-N263 VanDerWaalsContact C-N 3.3Å; L261-N263 PolarHBondContact O-N 2.9Å; N263-K265 PolarHBondContact O-N 3.03Å
264	L	98.4	Very high	97.1	Very high	3 Å²	3	44.9 Å²	44.9	2%	0.016	21%	0.212	C	C	.	.			trans	-65.2	124.1	-177.5	-167.5	70.3	0	0	0	111	L240 L243 L258 L261 L267 M285 R287 L288	L240-L264 HydrophobicContact CD2-CD1 4.37Å; L240-L264 WeakPolarHBondContact O-CA 3.26Å; L240-L264 PolarHBondContact O-N 2.98Å; L243-L264 HydrophobicContact CB-CD1 3.7Å; L258-L264 HydrophobicContact CD2-CD2 4.24Å; L261-L264 HydrophobicContact CB-CB 4.03Å; L261-L264 HydrophobicContact CD1-CD1 4.45Å; L261-L264 HydrophobicContact CD1-CD2 4.17Å; L264-L267 HydrophobicContact CD2-CB 4.18Å; L264-L267 HydrophobicContact CD2-CD1 4.34Å; L264-M285 HydrophobicContact CD2-CE 3.72Å; L264-R287 CarbonylContact O-C 3.2Å; L264-L288 WeakPolarHBondContact O-CA 3.25Å; L264-L288 PolarHBondContact O-N 3.18Å; L264-L288 VanDerWaalsContact O-N 3.16Å
265	K	98.5	Very high	96.9	Very high	49 Å²	49	47.7 Å²	47.7	21%	0.213	22%	0.224	C	C	.	.			trans	-108.4	-36.5	-179.4	-61.7	175.5	-163.7	163	0	112.4	E241 N263 R287 K289 E290	E241-K265 HydrophobicContact CB-CD 4.29Å; E241-K265 HydrophobicContact CB-CG 4.5Å; E241-K265 WeakPolarHBondContact O-CA 3.43Å; E241-K265 PolarHBondContact O-N 2.99Å; E241-K265 IonicContact OE1-NZ 3.9Å; E241-K265 PolarHBondContact OE1-NZ 3.27Å; E241-K265 IonicContact OE2-NZ 3.77Å; E241-K265 PolarHBondContact OE2-NZ 3.48Å; N263-K265 PolarHBondContact O-N 3.03Å; K265-R287 WeakPolarHBondContact CA-O 3.49Å; K265-K289 HydrophobicContact CB-CD 4.47Å; K265-K289 HydrophobicContact CB-CG 4.34Å; K265-K289 WeakPolarHBondContact O-CA 3.24Å; K265-K289 PolarHBondContact O-N 3.1Å; K265-E290 PolarHBondContact O-N 2.84Å; K265-E290 VanDerWaalsContact O-N 3.08Å
266	F	98.8	Very high	96.8	Very high	85 Å²	85	46.5 Å²	46.5	37%	0.373	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	121.6	-175.5	-54.4	-84.9	0	0	0	109.3	E241 S242 L243 E290	E241-F266 PolarHBondContact O-N 2.87Å; S242-F266 WeakPolarHBondContact CA-O 3.49Å; L243-F266 PolarHBondContact N-O 3.01Å; F266-E290 HydrophobicContact CD1-CB 3.79Å; F266-E290 HydrophobicContact CE1-CB 4.27Å
267	L	98.7	Very high	96.9	Very high	5 Å²	5	37.3 Å²	37.3	3%	0.026	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	119.1	176	179.2	59.4	0	0	0	110.2	L243 F245 L258 L264 L269 F282 M285 L288 E290 L291 G292	L243-L267 HydrophobicContact CB-CD1 4.38Å; L243-L267 HydrophobicContact CD2-CD1 4.43Å; L243-L267 HydrophobicContact CG-CD1 4.41Å; F245-L267 HydrophobicContact CD2-CD1 4.21Å; F245-L267 HydrophobicContact CE2-CD1 4.3Å; L258-L267 HydrophobicContact CD1-CD2 3.84Å; L258-L267 HydrophobicContact CD2-CD1 4.08Å; L258-L267 HydrophobicContact CD2-CD2 4.18Å; L264-L267 HydrophobicContact CD2-CB 4.18Å; L264-L267 HydrophobicContact CD2-CD1 4.34Å; L267-L269 HydrophobicContact CD1-CD2 4.44Å; L267-L269 HydrophobicContact CD1-CG 4.36Å; L267-L269 HydrophobicContact CD2-CD1 4.2Å; L267-L269 HydrophobicContact CD2-CG 4.36Å; L267-L269 HydrophobicContact CG-CD1 4.46Å; L267-L269 HydrophobicContact CG-CG 4.13Å; L267-F282 HydrophobicContact CD2-CD1 4.29Å; L267-F282 HydrophobicContact CD2-CE1 3.75Å; L267-M285 HydrophobicContact CD2-CE 4.29Å; L267-L288 HydrophobicContact CB-CD1 3.8Å; L267-E290 PolarHBondContact N-O 2.78Å; L267-L291 HydrophobicContact CB-CD1 4.24Å; L267-L291 HydrophobicContact CD2-CD1 4.06Å; L267-L291 HydrophobicContact CG-CD1 4.14Å; L267-G292 PolarHBondContact O-N 3.45Å
268	D	98.6	Very high	96.7	Very high	37 Å²	37	41.5 Å²	41.5	20%	0.198	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	109.8	176.9	173.6	16.5	0	0	0	110.3	L243 S244 F245 N270	L243-D268 PolarHBondContact O-N 3.44Å; S244-D268 PolarHBondContact OG-OD2 3.3Å; F245-D268 PolarHBondContact N-O 3.07Å; D268-N270 WeakPolarHBondContact OD1-CB 3.08Å; D268-N270 PolarHBondContact OD1-N 2.63Å; D268-N270 PolarHBondContact OD1-ND2 3.45Å
269	L	98.4	Very high	96.6	Very high	0 Å²	0	46 Å²	46	0%	0	22%	0.224	C	C	.	.			trans	-107.2	9.3	174.4	-67.3	169.7	0	0	0	112	F245 L250 V253 L267 N272 F282 L291 G292 I293 M296	F245-L269 HydrophobicContact CB-CD2 4.34Å; F245-L269 HydrophobicContact CD2-CD2 3.79Å; F245-L269 HydrophobicContact CG-CD2 4.46Å; L250-L269 HydrophobicContact CD1-CD2 4.35Å; V253-L269 HydrophobicContact CG1-CD1 4.46Å; V253-L269 HydrophobicContact CG2-CD1 4.24Å; L267-L269 HydrophobicContact CD1-CD2 4.44Å; L267-L269 HydrophobicContact CD1-CG 4.36Å; L267-L269 HydrophobicContact CD2-CD1 4.2Å; L267-L269 HydrophobicContact CD2-CG 4.36Å; L267-L269 HydrophobicContact CG-CD1 4.46Å; L267-L269 HydrophobicContact CG-CG 4.13Å; L269-N272 WeakPolarHBondContact O-CB 3.35Å; L269-N272 PolarHBondContact O-N 2.75Å; L269-N272 PolarHBondContact O-ND2 3.1Å; L269-F282 HydrophobicContact CD1-CE1 3.92Å; L269-F282 HydrophobicContact CD1-CZ 3.7Å; L269-L291 HydrophobicContact CD1-CD1 4.29Å; L269-G292 WeakPolarHBondContact CA-O 3.32Å; L269-G292 WeakPolarHBondContact CB-O 3.25Å; L269-G292 PolarHBondContact N-O 2.91Å; L269-I293 HydrophobicContact CB-CG2 4.24Å; L269-I293 HydrophobicContact CD1-CG2 4.27Å; L269-M296 HydrophobicContact CB-CE 3.49Å; L269-M296 VanDerWaalsContact CB-CE 3.49Å; L269-M296 WeakPolarHBondContact O-CE 3.3Å
270	N	98.5	Very high	96.5	Very high	23 Å²	23	40.9 Å²	40.9	12%	0.123	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	147.8	-172.5	-63	-34	0	0	0	111.8	Y246 D247 D268 N272 G292 I293 N294	Y246-N270 WeakPolarHBondContact CA-O 3.4Å; Y246-N270 HydrophobicContact CD2-CB 3.85Å; Y246-N270 HydrophobicContact CE2-CB 4.28Å; D247-N270 PolarHBondContact N-O 3.5Å; D268-N270 WeakPolarHBondContact OD1-CB 3.08Å; D268-N270 PolarHBondContact OD1-N 2.63Å; D268-N270 PolarHBondContact OD1-ND2 3.45Å; N270-N272 VanDerWaalsContact C-N 3.27Å; N270-N272 PolarHBondContact O-N 3Å; N270-N272 PolarHBondContact O-ND2 3.44Å; N270-G292 WeakPolarHBondContact OD1-CA 3.46Å; N270-G292 PolarHBondContact OD1-O 2.76Å; N270-I293 PolarHBondContact OD1-N 3.47Å; N270-N294 CarbonylContact C-O 3.54Å; N270-N294 VanDerWaalsContact CA-O 3.25Å; N270-N294 WeakPolarHBondContact CA-O 3.4Å; N270-N294 HydrophobicContact CB-CB 4.48Å; N270-N294 WeakPolarHBondContact OD1-CA 3.45Å; N270-N294 VanDerWaalsContact OD1-CB 3.26Å; N270-N294 WeakPolarHBondContact OD1-CB 3.27Å; N270-N294 PolarHBondContact OD1-N 3.42Å; N270-N294 PolarHBondContact OD1-ND2 3.13Å
271	K	97.8	Very high	96.5	Very high	83 Å²	83	36.7 Å²	36.7	36%	0.361	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	61	30.7	175.6	-159.5	176.3	171	-160.6	0	114.2	Y246 D247 N294 N295	Y246-K271 HydrophobicContact CE1-CD 4.43Å; Y246-K271 HydrophobicContact CE2-CB 4.34Å; Y246-K271 HydrophobicContact CE2-CD 4.48Å; D247-K271 HydrophobicContact CB-CB 4.36Å; D247-K271 HydrophobicContact CB-CD 3.8Å; D247-K271 HydrophobicContact CB-CG 4.27Å; D247-K271 VanDerWaalsContact CG-CD 3.49Å; D247-K271 VanDerWaalsContact OD1-CD 3.31Å; D247-K271 WeakPolarHBondContact OD1-CD 3.28Å; D247-K271 WeakPolarHBondContact OD1-CE 3.47Å; D247-K271 IonicContact OD1-NZ 2.79Å; D247-K271 PolarHBondContact OD1-NZ 3.21Å; D247-K271 WeakPolarHBondContact OD2-CE 3.45Å; D247-K271 IonicContact OD2-NZ 3.29Å; D247-K271 PolarHBondContact OD2-NZ 2.79Å; K271-N294 PolarHBondContact N-O 3.34Å; K271-N295 WeakPolarHBondContact CA-O 3.14Å
272	N	98.4	Very high	96.5	Very high	2 Å²	2	36.2 Å²	36.2	1%	0.011	18%	0.181	C	C	.	.			trans	-102.6	149.9	169.4	-79	-84.9	0	0	0	112.4	F245 N248 K249 L250 L269 N270 V274 M296	F245-N272 PolarHBondContact O-ND2 2.88Å; N248-N272 VanDerWaalsContact CA-OD1 3.3Å; N248-N272 WeakPolarHBondContact CA-OD1 2.94Å; N248-N272 WeakPolarHBondContact CB-OD1 3.27Å; N248-N272 PolarHBondContact N-OD1 2.9Å; N248-N272 PolarHBondContact O-OD1 3.38Å; K249-N272 PolarHBondContact N-OD1 2.9Å; L250-N272 HydrophobicContact CB-CB 4.25Å; L250-N272 WeakPolarHBondContact CB-OD1 3.33Å; L250-N272 WeakPolarHBondContact CG-OD1 3.14Å; L250-N272 PolarHBondContact N-OD1 2.78Å; L250-N272 VanDerWaalsContact N-OD1 3.12Å; L269-N272 WeakPolarHBondContact O-CB 3.35Å; L269-N272 PolarHBondContact O-N 2.75Å; L269-N272 PolarHBondContact O-ND2 3.1Å; N270-N272 VanDerWaalsContact C-N 3.27Å; N270-N272 PolarHBondContact O-N 3Å; N270-N272 PolarHBondContact O-ND2 3.44Å; N272-V274 HydrophobicContact CB-CG2 4.07Å; N272-V274 PolarHBondContact O-N 2.83Å; N272-M296 HydrophobicContact CB-CE 4.46Å; N272-M296 WeakPolarHBondContact O-CB 3.08Å; N272-M296 WeakPolarHBondContact O-CG 3.38Å
273	P	97.2	Very high	96.5	Very high	38 Å²	38	36.3 Å²	36.3	25%	0.247	17%	0.174	C	C	.	.			trans	-80.9	41.4	177.2	36.3	-37.8	0	0	0	112.9	N248 L250 H275 E298	N248-P273 WeakPolarHBondContact O-CD 3.1Å; L250-P273 CarbonylContact O-C 3.47Å; L250-P273 VanDerWaalsContact O-C 3.29Å; L250-P273 VanDerWaalsContact O-CD 3.26Å; L250-P273 WeakPolarHBondContact O-CD 3.35Å; L250-P273 WeakPolarHBondContact O-CG 3.15Å; P273-H275 PolarHBondContact O-N 2.83Å; P273-E298 HydrophobicContact CB-CB 4.33Å; P273-E298 HydrophobicContact CB-CG 4.03Å
274	V	96.8	Very high	96.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	18%	0.182	C	C	.	.			trans	-68.8	123.7	176.7	176.3	0	0	0	0	109	L250 V251 V253 N272 K276 I277 M296 E298 L299	L250-V274 WeakPolarHBondContact O-CG2 3.31Å; L250-V274 PolarHBondContact O-N 3.24Å; V251-V274 WeakPolarHBondContact O-CA 3.24Å; V253-V274 HydrophobicContact CG2-CG1 4.41Å; N272-V274 HydrophobicContact CB-CG2 4.07Å; N272-V274 PolarHBondContact O-N 2.83Å; V274-K276 WeakPolarHBondContact CG1-O 3.3Å; V274-I277 HydrophobicContact CG1-CD1 3.81Å; V274-M296 HydrophobicContact CB-CE 4.43Å; V274-M296 HydrophobicContact CB-SD 4.18Å; V274-M296 HydrophobicContact CG2-CE 4.33Å; V274-E298 CarbonylContact O-C 3.53Å; V274-L299 WeakPolarHBondContact O-CA 3.17Å; V274-L299 PolarHBondContact O-N 3.4Å; V274-L299 VanDerWaalsContact O-N 3.17Å
275	H	91.9	Very high	96.4	Very high	69 Å²	69	38.5 Å²	38.5	32%	0.319	19%	0.185	S	C	.	.			trans	-77.6	-40.5	-174.2	-170.8	54.2	0	0	0	113.4	V251 P273 E298 L299 V300 D445	V251-H275 PolarHBondContact O-N 3.21Å; P273-H275 PolarHBondContact O-N 2.83Å; H275-E298 WeakPolarHBondContact CA-O 3.43Å; H275-E298 PolarHBondContact ND1-O 2.89Å; H275-L299 WeakPolarHBondContact O-CA 3.13Å; H275-V300 VanDerWaalsContact CE1-CG2 3.45Å; H275-V300 WeakPolarHBondContact CE1-CG2 3.32Å; H275-V300 PolarHBondContact O-N 2.99Å; H275-D445 IonicContact CD2-OD2 2.76Å; H275-D445 IonicContact NE2-OD2 3.58Å
276	K	92.9	Very high	96.3	Very high	36 Å²	36	40.2 Å²	40.2	16%	0.157	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.7	153.3	179.2	61.4	-176.1	172.1	-163.9	0	110.6	V274 S301 D445	V274-K276 WeakPolarHBondContact CG1-O 3.3Å; K276-S301 WeakPolarHBondContact CA-O 3.33Å; K276-D445 IonicContact NZ-OD1 4Å; K276-D445 PolarHBondContact NZ-OD1 2.76Å; K276-D445 IonicContact NZ-OD2 2.75Å; K276-D445 PolarHBondContact NZ-OD2 3.22Å
277	I	96.6	Very high	96.3	Very high	1 Å²	1	41.9 Å²	41.9	1%	0.005	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	120.4	167.4	-49.2	-57.9	0	0	0	107.6	V253 V274 D281 F282 I293 L299 S301 I302 D303 A306	V253-I277 HydrophobicContact CG2-CD1 3.72Å; V274-I277 HydrophobicContact CG1-CD1 3.81Å; I277-D281 WeakPolarHBondContact CA-OD2 3.48Å; I277-D281 HydrophobicContact CG2-CB 4.14Å; I277-F282 HydrophobicContact CD1-CE2 4.27Å; I277-F282 HydrophobicContact CG2-CD2 3.81Å; I277-F282 HydrophobicContact CG2-CE2 3.4Å; I277-F282 VanDerWaalsContact CG2-CE2 3.4Å; I277-F282 HydrophobicContact CG2-CZ 4.47Å; I277-I293 HydrophobicContact CG1-CD1 4.48Å; I277-L299 HydrophobicContact CD1-CD1 4.42Å; I277-L299 HydrophobicContact CG1-CD1 4.11Å; I277-S301 PolarHBondContact N-O 2.98Å; I277-I302 HydrophobicContact CB-CG1 4.27Å; I277-I302 HydrophobicContact CB-CG2 4.5Å; I277-I302 HydrophobicContact CG1-CG1 4.26Å; I277-D303 PolarHBondContact O-N 2.75Å; I277-A306 HydrophobicContact CB-CB 4.41Å; I277-A306 HydrophobicContact CG2-CB 3.85Å
278	Q	94.4	Very high	96.2	Very high	88 Å²	88	41.6 Å²	41.6	41%	0.411	20%	0.199	S	C	.	.			trans	-115.8	168.6	-171.2	62.1	-179.8	21.7	0	0	112.4	G280 D281	Q278-G280 PolarHBondContact O-N 2.99Å; Q278-D281 WeakPolarHBondContact CG-OD1 3.36Å; Q278-D281 WeakPolarHBondContact CG-OD2 3.32Å; Q278-D281 PolarHBondContact N-OD2 2.84Å; Q278-D281 WeakPolarHBondContact O-CB 3.27Å; Q278-D281 PolarHBondContact O-N 3.29Å
279	E	93.3	Very high	96.2	Very high	96 Å²	96	43.4 Å²	43.4	45%	0.449	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.9	128.1	177.3	-176	174.2	-176.4	0	0	110.8
280	G	92.8	Very high	96.2	Very high	6 Å²	6	46 Å²	46	6%	0.062	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.5	-23.4	177.2	0	0	0	0	0	114.7	Q255 Q278 F282 K283	Q255-G280 VanDerWaalsContact CD-O 3.29Å; Q255-G280 WeakPolarHBondContact CG-O 3.5Å; Q255-G280 PolarHBondContact NE2-O 3.48Å; Q278-G280 PolarHBondContact O-N 2.99Å; G280-F282 VanDerWaalsContact C-N 3.26Å; G280-F282 PolarHBondContact O-N 3.03Å; G280-K283 PolarHBondContact O-N 3.34Å; G280-K283 VanDerWaalsContact O-N 3.15Å
281	D	95.9	Very high	96.3	Very high	6 Å²	6	45 Å²	45	3%	0.032	21%	0.211	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-42.4	-173.7	-76.9	-10.7	0	0	0	112.7	V253 I277 Q278	V253-D281 HydrophobicContact CB-CB 3.91Å; V253-D281 HydrophobicContact CG1-CB 4.04Å; V253-D281 HydrophobicContact CG2-CB 4.08Å; I277-D281 WeakPolarHBondContact CA-OD2 3.48Å; I277-D281 HydrophobicContact CG2-CB 4.14Å; Q278-D281 WeakPolarHBondContact CG-OD1 3.36Å; Q278-D281 WeakPolarHBondContact CG-OD2 3.32Å; Q278-D281 PolarHBondContact N-OD2 2.84Å; Q278-D281 WeakPolarHBondContact O-CB 3.27Å; Q278-D281 PolarHBondContact O-N 3.29Å
282	F	96.6	Very high	96.3	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.5	18.8	179.3	-55.2	-63	0	0	0	113.4	V253 L267 L269 I277 G280 N284 M285 L291 L307 L310	V253-F282 HydrophobicContact CG1-CD1 4.4Å; V253-F282 HydrophobicContact CG1-CE1 3.72Å; V253-F282 HydrophobicContact CG1-CZ 3.99Å; V253-F282 HydrophobicContact CG2-CE1 4.46Å; V253-F282 HydrophobicContact CG2-CE2 4.43Å; V253-F282 HydrophobicContact CG2-CZ 3.87Å; L267-F282 HydrophobicContact CD2-CD1 4.29Å; L267-F282 HydrophobicContact CD2-CE1 3.75Å; L269-F282 HydrophobicContact CD1-CE1 3.92Å; L269-F282 HydrophobicContact CD1-CZ 3.7Å; I277-F282 HydrophobicContact CD1-CE2 4.27Å; I277-F282 HydrophobicContact CG2-CD2 3.81Å; I277-F282 HydrophobicContact CG2-CE2 3.4Å; I277-F282 VanDerWaalsContact CG2-CE2 3.4Å; I277-F282 HydrophobicContact CG2-CZ 4.47Å; G280-F282 VanDerWaalsContact C-N 3.26Å; G280-F282 PolarHBondContact O-N 3.03Å; F282-N284 PolarHBondContact O-N 3.31Å; F282-M285 HydrophobicContact CB-SD 4.06Å; F282-M285 HydrophobicContact CD1-SD 3.77Å; F282-M285 HydrophobicContact CG-SD 4.42Å; F282-M285 PolarHBondContact O-N 3.37Å; F282-L291 HydrophobicContact CD1-CD2 4.39Å; F282-L291 HydrophobicContact CD2-CD2 3.92Å; F282-L291 HydrophobicContact CE1-CD1 3.94Å; F282-L291 HydrophobicContact CE1-CD2 4.17Å; F282-L291 HydrophobicContact CE2-CD2 3.63Å; F282-L291 HydrophobicContact CG-CD2 4.27Å; F282-L291 HydrophobicContact CZ-CD1 3.9Å; F282-L291 HydrophobicContact CZ-CD2 3.78Å; F282-L291 HydrophobicContact CZ-CG 4.49Å; F282-L307 HydrophobicContact CD2-CG 4.49Å; F282-L310 HydrophobicContact CB-CD1 4.2Å; F282-L310 VanDerWaalsContact O-CD2 3.24Å; F282-L310 WeakPolarHBondContact O-CD2 3.48Å
283	K	95.3	Very high	96.3	Very high	77 Å²	77	41.2 Å²	41.2	34%	0.335	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.3	132.7	-172.7	-178.5	171.1	-174	168.6	0	112	G280 M285 D308	G280-K283 PolarHBondContact O-N 3.34Å; G280-K283 VanDerWaalsContact O-N 3.15Å; K283-M285 VanDerWaalsContact C-N 3.27Å; K283-M285 PolarHBondContact O-N 3.29Å; K283-D308 WeakPolarHBondContact CA-O 3.24Å; K283-D308 VanDerWaalsContact CE-OD2 3.26Å; K283-D308 WeakPolarHBondContact CE-OD2 3.32Å; K283-D308 HydrophobicContact CG-CB 4.4Å; K283-D308 IonicContact NZ-OD2 3.09Å
284	N	95.9	Very high	96.3	Very high	88 Å²	88	39.9 Å²	39.9	47%	0.471	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	27.4	177	-57.9	-31.5	0	0	0	114.6	F282 L286 D308 N309	F282-N284 PolarHBondContact O-N 3.31Å; N284-L286 PolarHBondContact O-N 2.95Å; N284-D308 PolarHBondContact N-O 3.21Å; N284-D308 VanDerWaalsContact N-O 3.1Å; N284-N309 PolarHBondContact OD1-ND2 3.16Å
285	M	96.6	Very high	96.4	Very high	18 Å²	18	43.4 Å²	43.4	9%	0.089	21%	0.206	C	C	.	.			trans	-80.3	74.7	171.2	-59.8	-179.5	66.7	0	0	109.9	L258 L264 L267 F282 K283 R287 L288 L310	L258-M285 HydrophobicContact CB-CE 4.47Å; L264-M285 HydrophobicContact CD2-CE 3.72Å; L267-M285 HydrophobicContact CD2-CE 4.29Å; F282-M285 HydrophobicContact CB-SD 4.06Å; F282-M285 HydrophobicContact CD1-SD 3.77Å; F282-M285 HydrophobicContact CG-SD 4.42Å; F282-M285 PolarHBondContact O-N 3.37Å; K283-M285 VanDerWaalsContact C-N 3.27Å; K283-M285 PolarHBondContact O-N 3.29Å; M285-R287 PolarHBondContact O-N 3.16Å; M285-R287 VanDerWaalsContact O-N 3.1Å; M285-L288 HydrophobicContact CB-CB 3.93Å; M285-L288 HydrophobicContact CB-CD2 4.36Å; M285-L288 HydrophobicContact CE-CD1 4.16Å; M285-L288 HydrophobicContact CE-CD2 4.14Å; M285-L288 WeakPolarHBondContact O-CB 3.3Å; M285-L288 PolarHBondContact O-N 2.9Å; M285-L288 VanDerWaalsContact O-N 3.1Å; M285-L288 HydrophobicContact SD-CD2 4.24Å; M285-L310 HydrophobicContact CB-CD2 3.61Å; M285-L310 VanDerWaalsContact O-CD2 3.3Å; M285-L310 WeakPolarHBondContact O-CD2 3.39Å
286	L	96.7	Very high	96.6	Very high	86 Å²	86	40.1 Å²	40.1	45%	0.45	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-26.6	-164.8	-57.1	-179.1	0	0	0	115	N284 P311 E312	N284-L286 PolarHBondContact O-N 2.95Å; L286-P311 HydrophobicContact CB-CG 4.44Å; L286-P311 HydrophobicContact CD2-CG 4.22Å; L286-E312 WeakPolarHBondContact O-CG 3.26Å
287	R	98	Very high	96.7	Very high	119 Å²	119	39.9 Å²	39.9	45%	0.449	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-2.9	-177.4	-62.7	-57.5	-165.6	164.5	3.9	113.8	P262 L264 K265 M285 K289 E312	P262-R287 WeakPolarHBondContact O-CG 3.48Å; L264-R287 CarbonylContact O-C 3.2Å; K265-R287 WeakPolarHBondContact CA-O 3.49Å; M285-R287 PolarHBondContact O-N 3.16Å; M285-R287 VanDerWaalsContact O-N 3.1Å; R287-K289 WeakPolarHBondContact O-CG 3.48Å; R287-K289 PolarHBondContact O-N 3.46Å; R287-E312 WeakPolarHBondContact CD-OE1 3.42Å; R287-E312 IonicContact CZ-OE1 3.6Å; R287-E312 IonicContact NE-OE1 3.84Å; R287-E312 IonicContact NH1-OE1 3.52Å; R287-E312 PolarHBondContact NH1-OE1 3.47Å
288	L	98.5	Very high	96.6	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	22%	0.216	C	C	.	.			trans	-67.5	123.8	-176.4	-171.6	69.7	0	0	0	109.4	L264 L267 M285 L291 L310 E312 L313	L264-L288 WeakPolarHBondContact O-CA 3.25Å; L264-L288 PolarHBondContact O-N 3.18Å; L264-L288 VanDerWaalsContact O-N 3.16Å; L267-L288 HydrophobicContact CB-CD1 3.8Å; M285-L288 HydrophobicContact CB-CB 3.93Å; M285-L288 HydrophobicContact CB-CD2 4.36Å; M285-L288 HydrophobicContact CE-CD1 4.16Å; M285-L288 HydrophobicContact CE-CD2 4.14Å; M285-L288 WeakPolarHBondContact O-CB 3.3Å; M285-L288 PolarHBondContact O-N 2.9Å; M285-L288 VanDerWaalsContact O-N 3.1Å; M285-L288 HydrophobicContact SD-CD2 4.24Å; L288-L291 HydrophobicContact CD2-CB 4.43Å; L288-L310 HydrophobicContact CB-CD2 4.46Å; L288-L310 HydrophobicContact CD2-CD2 4.4Å; L288-E312 CarbonylContact O-C 3.53Å; L288-L313 HydrophobicContact CD2-CD1 4.17Å; L288-L313 HydrophobicContact CG-CD1 4.08Å; L288-L313 WeakPolarHBondContact O-CA 3.43Å; L288-L313 PolarHBondContact O-N 2.88Å
289	K	98.4	Very high	96.7	Very high	75 Å²	75	39.4 Å²	39.4	33%	0.326	20%	0.196	S	C	.	.			trans	-107.4	-40.1	-177.9	-63.7	-170.6	177.5	-172.3	0	112.5	K265 R287 E312 T314 K315	K265-K289 HydrophobicContact CB-CD 4.47Å; K265-K289 HydrophobicContact CB-CG 4.34Å; K265-K289 WeakPolarHBondContact O-CA 3.24Å; K265-K289 PolarHBondContact O-N 3.1Å; R287-K289 WeakPolarHBondContact O-CG 3.48Å; R287-K289 PolarHBondContact O-N 3.46Å; K289-E312 WeakPolarHBondContact CA-O 3.27Å; K289-E312 WeakPolarHBondContact CE-OE2 3.42Å; K289-E312 HydrophobicContact CG-CB 4.28Å; K289-E312 IonicContact NZ-OE2 2.73Å; K289-T314 PolarHBondContact O-N 3.3Å; K289-T314 PolarHBondContact O-OG1 3.29Å; K289-K315 PolarHBondContact O-N 3.24Å; K289-K315 VanDerWaalsContact O-N 3.11Å
290	E	98.6	Very high	96.6	Very high	54 Å²	54	35 Å²	35	25%	0.252	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	132.2	-177.4	-174.6	166.1	-164.7	0	0	110.9	K265 F266 L267 K315	K265-E290 PolarHBondContact O-N 2.84Å; K265-E290 VanDerWaalsContact O-N 3.08Å; F266-E290 HydrophobicContact CD1-CB 3.79Å; F266-E290 HydrophobicContact CE1-CB 4.27Å; L267-E290 PolarHBondContact N-O 2.78Å; E290-K315 WeakPolarHBondContact CA-O 3.3Å; E290-K315 HydrophobicContact CG-CB 4.29Å; E290-K315 HydrophobicContact CG-CD 4.42Å; E290-K315 HydrophobicContact CG-CG 4.48Å; E290-K315 WeakPolarHBondContact OE1-CD 3.35Å; E290-K315 IonicContact OE1-NZ 2.94Å; E290-K315 PolarHBondContact OE1-NZ 3.34Å
291	L	98.6	Very high	96.7	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	117	177	176.2	58.8	0	0	0	110	L267 L269 F282 L288 I293 L307 L313 K315 L316 E317	L267-L291 HydrophobicContact CB-CD1 4.24Å; L267-L291 HydrophobicContact CD2-CD1 4.06Å; L267-L291 HydrophobicContact CG-CD1 4.14Å; L269-L291 HydrophobicContact CD1-CD1 4.29Å; F282-L291 HydrophobicContact CD1-CD2 4.39Å; F282-L291 HydrophobicContact CD2-CD2 3.92Å; F282-L291 HydrophobicContact CE1-CD1 3.94Å; F282-L291 HydrophobicContact CE1-CD2 4.17Å; F282-L291 HydrophobicContact CE2-CD2 3.63Å; F282-L291 HydrophobicContact CG-CD2 4.27Å; F282-L291 HydrophobicContact CZ-CD1 3.9Å; F282-L291 HydrophobicContact CZ-CD2 3.78Å; F282-L291 HydrophobicContact CZ-CG 4.49Å; L288-L291 HydrophobicContact CD2-CB 4.43Å; L291-I293 HydrophobicContact CD1-CG2 4.18Å; L291-I293 HydrophobicContact CG-CG2 4.27Å; L291-L307 HydrophobicContact CD2-CD2 4.16Å; L291-L313 HydrophobicContact CB-CD1 4.12Å; L291-K315 PolarHBondContact N-O 3.26Å; L291-K315 VanDerWaalsContact N-O 3.14Å; L291-L316 HydrophobicContact CB-CD1 4.07Å; L291-L316 HydrophobicContact CD2-CD1 3.91Å; L291-L316 HydrophobicContact CG-CD1 3.94Å; L291-E317 PolarHBondContact O-N 2.78Å
292	G	98.4	Very high	96.7	Very high	4 Å²	4	34.5 Å²	34.5	4%	0.041	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	118.8	174.1	0	0	0	0	0	112.1	L267 L269 N270	L267-G292 PolarHBondContact O-N 3.45Å; L269-G292 WeakPolarHBondContact CA-O 3.32Å; L269-G292 WeakPolarHBondContact CB-O 3.25Å; L269-G292 PolarHBondContact N-O 2.91Å; N270-G292 WeakPolarHBondContact OD1-CA 3.46Å; N270-G292 PolarHBondContact OD1-O 2.76Å
293	I	98.2	Very high	96.6	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.01	17%	0.174	C	C	.	.			trans	-131.5	46.7	173.9	56	168.5	0	0	0	110.8	L269 N270 I277 L291 M296 L299 I302 L316 E317 A318 N321	L269-I293 HydrophobicContact CB-CG2 4.24Å; L269-I293 HydrophobicContact CD1-CG2 4.27Å; N270-I293 PolarHBondContact OD1-N 3.47Å; I277-I293 HydrophobicContact CG1-CD1 4.48Å; L291-I293 HydrophobicContact CD1-CG2 4.18Å; L291-I293 HydrophobicContact CG-CG2 4.27Å; I293-M296 HydrophobicContact CB-CE 3.74Å; I293-M296 HydrophobicContact CB-SD 3.81Å; I293-M296 HydrophobicContact CG2-CE 3.68Å; I293-M296 HydrophobicContact CG2-SD 4.25Å; I293-L299 HydrophobicContact CD1-CD2 4.27Å; I293-I302 HydrophobicContact CD1-CD1 4.09Å; I293-L316 HydrophobicContact CD1-CD1 4.16Å; I293-L316 HydrophobicContact CG1-CD1 4.14Å; I293-E317 CarbonylContact C-O 3.55Å; I293-E317 VanDerWaalsContact CG1-O 3.24Å; I293-E317 WeakPolarHBondContact CG1-O 3.32Å; I293-E317 PolarHBondContact N-O 3.37Å; I293-A318 HydrophobicContact CD1-CB 3.68Å; I293-A318 HydrophobicContact CG1-CB 3.57Å; I293-N321 PolarHBondContact O-ND2 2.88Å; I293-N321 PolarHBondContact O-OD1 3.03Å
294	N	98.4	Very high	96.5	Very high	10 Å²	10	34.8 Å²	34.8	5%	0.053	17%	0.171	C	C	.	.			trans	-90.1	156.5	-178	-52.5	-70.7	0	0	0	112.2	N270 K271 M296 E317 T319	N270-N294 CarbonylContact C-O 3.54Å; N270-N294 VanDerWaalsContact CA-O 3.25Å; N270-N294 WeakPolarHBondContact CA-O 3.4Å; N270-N294 HydrophobicContact CB-CB 4.48Å; N270-N294 WeakPolarHBondContact OD1-CA 3.45Å; N270-N294 VanDerWaalsContact OD1-CB 3.26Å; N270-N294 WeakPolarHBondContact OD1-CB 3.27Å; N270-N294 PolarHBondContact OD1-N 3.42Å; N270-N294 PolarHBondContact OD1-ND2 3.13Å; K271-N294 PolarHBondContact N-O 3.34Å; N294-M296 PolarHBondContact O-N 3.27Å; N294-M296 VanDerWaalsContact O-N 3.12Å; N294-E317 WeakPolarHBondContact ND2-CB 3.38Å; N294-E317 WeakPolarHBondContact OD1-CB 3.3Å; N294-E317 PolarHBondContact OD1-O 2.96Å; N294-T319 CarbonylContact C-O 3.59Å; N294-T319 WeakPolarHBondContact CA-O 3.19Å; N294-T319 WeakPolarHBondContact OD1-CB 3.38Å; N294-T319 PolarHBondContact OD1-N 3.09Å; N294-T319 PolarHBondContact OD1-OG1 2.91Å
295	N	98.2	Very high	96.5	Very high	74 Å²	74	32.5 Å²	32.5	40%	0.396	16%	0.156	S	C	.	.	S	Bend	trans	55.5	27.1	174.3	-50.9	-64.8	0	0	0	114.3	K271 G297 T319 N320 N321	K271-N295 WeakPolarHBondContact CA-O 3.14Å; N295-G297 PolarHBondContact O-N 2.87Å; N295-T319 PolarHBondContact N-O 3.17Å; N295-N320 WeakPolarHBondContact CA-O 3.42Å; N295-N320 WeakPolarHBondContact OD1-CB 3.35Å; N295-N320 PolarHBondContact OD1-ND2 2.94Å; N295-N321 PolarHBondContact N-OD1 3.46Å; N295-N321 VanDerWaalsContact N-OD1 3.09Å
296	M	97.2	Very high	96.5	Very high	0 Å²	0	31.6 Å²	31.6	0%	0	15%	0.152	C	C	.	.			trans	-83	98.1	174.6	-63.3	-173.8	164.6	0	0	110	L269 N272 V274 I293 N294 E298 L299 N321	L269-M296 HydrophobicContact CB-CE 3.49Å; L269-M296 VanDerWaalsContact CB-CE 3.49Å; L269-M296 WeakPolarHBondContact O-CE 3.3Å; N272-M296 HydrophobicContact CB-CE 4.46Å; N272-M296 WeakPolarHBondContact O-CB 3.08Å; N272-M296 WeakPolarHBondContact O-CG 3.38Å; V274-M296 HydrophobicContact CB-CE 4.43Å; V274-M296 HydrophobicContact CB-SD 4.18Å; V274-M296 HydrophobicContact CG2-CE 4.33Å; I293-M296 HydrophobicContact CB-CE 3.74Å; I293-M296 HydrophobicContact CB-SD 3.81Å; I293-M296 HydrophobicContact CG2-CE 3.68Å; I293-M296 HydrophobicContact CG2-SD 4.25Å; N294-M296 PolarHBondContact O-N 3.27Å; N294-M296 VanDerWaalsContact O-N 3.12Å; M296-E298 PolarHBondContact O-N 3.33Å; M296-E298 VanDerWaalsContact O-N 3.16Å; M296-L299 HydrophobicContact CB-CB 3.62Å; M296-L299 HydrophobicContact CB-CD2 4.42Å; M296-L299 PolarHBondContact O-N 3.3Å; M296-L299 HydrophobicContact SD-CB 4.26Å; M296-L299 HydrophobicContact SD-CD2 3.99Å; M296-N321 WeakPolarHBondContact CA-OD1 3.36Å; M296-N321 WeakPolarHBondContact CB-OD1 3.13Å; M296-N321 PolarHBondContact N-OD1 3.3Å
297	G	94.7	Very high	96.5	Very high	32 Å²	32	27.6 Å²	27.6	33%	0.33	13%	0.131	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-21.9	-176.5	0	0	0	0	0	115.2	N295 K323	N295-G297 PolarHBondContact O-N 2.87Å; G297-K323 WeakPolarHBondContact O-CD 3.45Å; G297-K323 VanDerWaalsContact O-CE 3.27Å; G297-K323 WeakPolarHBondContact O-CE 3.08Å; G297-K323 WeakPolarHBondContact O-CG 3.46Å
298	E	94.1	Very high	96.4	Very high	79 Å²	79	22.2 Å²	22.2	37%	0.369	11%	0.111	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-5.3	-176.6	-63.8	-56.7	134.9	0	0	114.1	P273 V274 H275 M296 V300 K323	P273-E298 HydrophobicContact CB-CB 4.33Å; P273-E298 HydrophobicContact CB-CG 4.03Å; V274-E298 CarbonylContact O-C 3.53Å; H275-E298 WeakPolarHBondContact CA-O 3.43Å; H275-E298 PolarHBondContact ND1-O 2.89Å; M296-E298 PolarHBondContact O-N 3.33Å; M296-E298 VanDerWaalsContact O-N 3.16Å; E298-V300 PolarHBondContact O-N 2.86Å; E298-K323 IonicContact OE1-NZ 3.53Å; E298-K323 PolarHBondContact OE1-NZ 3.37Å; E298-K323 IonicContact OE2-NZ 2.79Å; E298-K323 PolarHBondContact OE2-NZ 2.89Å
299	L	95.4	Very high	96.4	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.125	C	C	.	.			trans	-68.9	120.6	-178.8	179.3	66.6	0	0	0	110.1	V274 H275 I277 I293 M296 N321 K323 F324	V274-L299 WeakPolarHBondContact O-CA 3.17Å; V274-L299 PolarHBondContact O-N 3.4Å; V274-L299 VanDerWaalsContact O-N 3.17Å; H275-L299 WeakPolarHBondContact O-CA 3.13Å; I277-L299 HydrophobicContact CD1-CD1 4.42Å; I277-L299 HydrophobicContact CG1-CD1 4.11Å; I293-L299 HydrophobicContact CD1-CD2 4.27Å; M296-L299 HydrophobicContact CB-CB 3.62Å; M296-L299 HydrophobicContact CB-CD2 4.42Å; M296-L299 PolarHBondContact O-N 3.3Å; M296-L299 HydrophobicContact SD-CB 4.26Å; M296-L299 HydrophobicContact SD-CD2 3.99Å; L299-N321 HydrophobicContact CD2-CB 4.48Å; L299-K323 CarbonylContact O-C 3.57Å; L299-K323 WeakPolarHBondContact O-CB 3.47Å; L299-F324 HydrophobicContact CD2-CB 4.46Å; L299-F324 HydrophobicContact CD2-CD1 4.42Å; L299-F324 HydrophobicContact CD2-CD2 4.38Å; L299-F324 HydrophobicContact CD2-CG 4.19Å; L299-F324 HydrophobicContact CG-CB 4.37Å; L299-F324 HydrophobicContact CG-CD2 4.27Å; L299-F324 HydrophobicContact CG-CG 4.35Å; L299-F324 WeakPolarHBondContact O-CA 3.28Å; L299-F324 WeakPolarHBondContact O-CB 3.29Å; L299-F324 PolarHBondContact O-N 3.12Å
300	V	92.8	Very high	96.4	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.012	11%	0.109	C	C	.	.			trans	-106.9	-39.9	-178.7	176.6	0	0	0	0	112.1	H275 E298 K323 S325 Y326 T429	H275-V300 VanDerWaalsContact CE1-CG2 3.45Å; H275-V300 WeakPolarHBondContact CE1-CG2 3.32Å; H275-V300 PolarHBondContact O-N 2.99Å; E298-V300 PolarHBondContact O-N 2.86Å; V300-K323 HydrophobicContact CG2-CB 4.12Å; V300-S325 PolarHBondContact O-N 3.38Å; V300-Y326 PolarHBondContact O-N 3.29Å; V300-T429 HydrophobicContact CG1-CG2 4.48Å
301	S	93.8	Very high	96.3	Very high	1 Å²	1	21 Å²	21	1%	0.007	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	155.5	-170.8	59.4	0	0	0	0	115.4	K276 I277 Y326	K276-S301 WeakPolarHBondContact CA-O 3.33Å; I277-S301 PolarHBondContact N-O 2.98Å; S301-Y326 VanDerWaalsContact CA-O 3.22Å; S301-Y326 WeakPolarHBondContact CA-O 3.19Å
302	I	96	Very high	96.3	Very high	1 Å²	1	23.5 Å²	23.5	1%	0.005	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	114	163.7	-60.8	178.1	0	0	0	107.2	I277 I293 A306 L307 F324 Y326 N328 A331	I277-I302 HydrophobicContact CB-CG1 4.27Å; I277-I302 HydrophobicContact CB-CG2 4.5Å; I277-I302 HydrophobicContact CG1-CG1 4.26Å; I293-I302 HydrophobicContact CD1-CD1 4.09Å; I302-A306 HydrophobicContact CG2-CB 3.56Å; I302-L307 HydrophobicContact CG2-CD1 3.85Å; I302-F324 HydrophobicContact CB-CE2 4.48Å; I302-F324 HydrophobicContact CD1-CE1 4.49Å; I302-F324 HydrophobicContact CD1-CE2 4.17Å; I302-F324 HydrophobicContact CD1-CZ 3.61Å; I302-F324 HydrophobicContact CG1-CE2 3.8Å; I302-F324 HydrophobicContact CG1-CZ 3.79Å; I302-Y326 PolarHBondContact N-O 3.34Å; I302-Y326 VanDerWaalsContact N-O 3.08Å; I302-N328 PolarHBondContact O-N 3.47Å; I302-A331 HydrophobicContact CG2-CB 3.86Å
303	D	93.9	Very high	96.3	Very high	9 Å²	9	23.3 Å²	23.3	5%	0.048	12%	0.123	C	C	.	.			trans	-83.3	178.1	-174.2	-76.2	-22.3	0	0	0	112.1	I277 Y305 A306 A331 R447	I277-D303 PolarHBondContact O-N 2.75Å; D303-Y305 PolarHBondContact O-N 3.18Å; D303-A306 VanDerWaalsContact O-CB 3.28Å; D303-A306 WeakPolarHBondContact O-CB 3.36Å; D303-A306 PolarHBondContact O-N 2.8Å; D303-A331 WeakPolarHBondContact O-CA 3.46Å; D303-R447 IonicContact OD1-CZ 3.83Å; D303-R447 IonicContact OD1-NE 2.87Å; D303-R447 PolarHBondContact OD1-NE 2.7Å; D303-R447 IonicContact OD1-NH2 3.91Å; D303-R447 PolarHBondContact OD1-NH2 2.83Å; D303-R447 IonicContact OD2-CZ 2.91Å; D303-R447 IonicContact OD2-NH2 3.06Å; D303-R447 PolarHBondContact OD2-NH2 2.74Å
304	R	93.8	Very high	96.3	Very high	75 Å²	75	25.9 Å²	25.9	28%	0.283	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	134.9	-179.2	-176.2	-179.1	-176	-176.6	-1.4	110.6	A306 Q330	R304-A306 PolarHBondContact O-N 3.48Å; R304-A306 VanDerWaalsContact O-N 3.08Å; R304-Q330 HydrophobicContact CG-CB 4.08Å; R304-Q330 VanDerWaalsContact CZ-OE1 3.23Å; R304-Q330 VanDerWaalsContact NH2-OE1 3.13Å
305	Y	95.3	Very high	96.3	Very high	40 Å²	40	28.1 Å²	28.1	16%	0.157	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	26.6	178.6	-49.9	-38.5	0	0	0	114.7	D303 L307 Q330 R333	D303-Y305 PolarHBondContact O-N 3.18Å; Y305-L307 VanDerWaalsContact C-N 3.3Å; Y305-L307 PolarHBondContact O-N 2.88Å; Y305-Q330 HydrophobicContact CD1-CB 4.4Å; Y305-Q330 VanDerWaalsContact CD1-O 3.25Å; Y305-Q330 WeakPolarHBondContact CD1-O 3.3Å; Y305-Q330 HydrophobicContact CE1-CB 3.88Å; Y305-Q330 PolarHBondContact N-O 2.89Å; Y305-Q330 PolarHBondContact OH-OE1 3.37Å; Y305-R333 HydrophobicContact CD1-CB 3.88Å; Y305-R333 HydrophobicContact CE1-CB 4.33Å
306	A	96.4	Very high	96.4	Very high	0 Å²	0	24.6 Å²	24.6	0%	0	13%	0.129	C	C	.	.	S	Bend	trans	-61.9	-39.4	174.5	0	0	0	0	0	112.2	I277 I302 D303 R304 A331	I277-A306 HydrophobicContact CB-CB 4.41Å; I277-A306 HydrophobicContact CG2-CB 3.85Å; I302-A306 HydrophobicContact CG2-CB 3.56Å; D303-A306 VanDerWaalsContact O-CB 3.28Å; D303-A306 WeakPolarHBondContact O-CB 3.36Å; D303-A306 PolarHBondContact O-N 2.8Å; R304-A306 PolarHBondContact O-N 3.48Å; R304-A306 VanDerWaalsContact O-N 3.08Å; A306-A331 PolarHBondContact N-O 3.25Å
307	L	97.3	Very high	96.4	Very high	2 Å²	2	26.9 Å²	26.9	1%	0.01	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	98.2	173.8	-67.6	102.4	0	0	0	108.8	F282 L291 I302 Y305 L310 L313 L316 A331 F332 R333 V335	F282-L307 HydrophobicContact CD2-CG 4.49Å; L291-L307 HydrophobicContact CD2-CD2 4.16Å; I302-L307 HydrophobicContact CG2-CD1 3.85Å; Y305-L307 VanDerWaalsContact C-N 3.3Å; Y305-L307 PolarHBondContact O-N 2.88Å; L307-L310 HydrophobicContact CB-CD1 3.89Å; L307-L310 HydrophobicContact CD2-CD1 3.91Å; L307-L310 HydrophobicContact CG-CD1 4.23Å; L307-L313 HydrophobicContact CD2-CD2 3.77Å; L307-L316 HydrophobicContact CD2-CD2 4.11Å; L307-A331 PolarHBondContact N-O 3.05Å; L307-A331 VanDerWaalsContact N-O 3.08Å; L307-F332 HydrophobicContact CB-CD1 3.89Å; L307-F332 HydrophobicContact CB-CE1 4.36Å; L307-F332 HydrophobicContact CD1-CD1 4.1Å; L307-F332 HydrophobicContact CD1-CE1 3.78Å; L307-F332 HydrophobicContact CD1-CZ 4.49Å; L307-F332 HydrophobicContact CD2-CD1 4.33Å; L307-F332 HydrophobicContact CD2-CE1 4.07Å; L307-F332 HydrophobicContact CG-CD1 4.33Å; L307-F332 HydrophobicContact CG-CE1 4.29Å; L307-F332 WeakPolarHBondContact O-CA 3.4Å; L307-R333 PolarHBondContact O-N 3.15Å; L307-V335 HydrophobicContact CB-CG2 4.34Å
308	D	96.9	Very high	96.6	Very high	5 Å²	5	25.4 Å²	25.4	3%	0.027	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	124.2	-169.8	-179.7	36	0	0	0	111.8	K283 N284 R333	K283-D308 WeakPolarHBondContact CA-O 3.24Å; K283-D308 VanDerWaalsContact CE-OD2 3.26Å; K283-D308 WeakPolarHBondContact CE-OD2 3.32Å; K283-D308 HydrophobicContact CG-CB 4.4Å; K283-D308 IonicContact NZ-OD2 3.09Å; N284-D308 PolarHBondContact N-O 3.21Å; N284-D308 VanDerWaalsContact N-O 3.1Å; D308-R333 WeakPolarHBondContact CA-O 3.44Å; D308-R333 IonicContact OD1-CZ 3.3Å; D308-R333 IonicContact OD1-NE 3.9Å; D308-R333 PolarHBondContact OD1-NE 3.48Å; D308-R333 IonicContact OD1-NH2 3.59Å; D308-R333 PolarHBondContact OD1-NH2 3.26Å; D308-R333 VanDerWaalsContact OD1-NH2 3.16Å; D308-R333 IonicContact OD2-CZ 2.7Å; D308-R333 IonicContact OD2-NE 3.33Å; D308-R333 IonicContact OD2-NH2 2.69Å; D308-R333 PolarHBondContact OD2-NH2 3.29Å
309	N	97.4	Very high	96.8	Very high	53 Å²	53	22.6 Å²	22.6	28%	0.283	11%	0.112	S	C	.	.	S	Bend	trans	57.3	64	179.5	-170.5	27.1	0	0	0	112.5	N284 P311 R333	N284-N309 PolarHBondContact OD1-ND2 3.16Å; N309-P311 VanDerWaalsContact C-CD 3.46Å; N309-P311 WeakPolarHBondContact O-CD 3.1Å; N309-R333 PolarHBondContact N-O 3.08Å
310	L	98	Very high	96.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	13%	0.129	C	C	.	.			trans	-121.4	71.9	-179.6	-64.2	177.8	0	0	0	109.8	F282 M285 L288 L307 E312 L313 D334 V335	F282-L310 HydrophobicContact CB-CD1 4.2Å; F282-L310 VanDerWaalsContact O-CD2 3.24Å; F282-L310 WeakPolarHBondContact O-CD2 3.48Å; M285-L310 HydrophobicContact CB-CD2 3.61Å; M285-L310 VanDerWaalsContact O-CD2 3.3Å; M285-L310 WeakPolarHBondContact O-CD2 3.39Å; L288-L310 HydrophobicContact CB-CD2 4.46Å; L288-L310 HydrophobicContact CD2-CD2 4.4Å; L307-L310 HydrophobicContact CB-CD1 3.89Å; L307-L310 HydrophobicContact CD2-CD1 3.91Å; L307-L310 HydrophobicContact CG-CD1 4.23Å; L310-E312 VanDerWaalsContact C-N 3.31Å; L310-E312 PolarHBondContact O-N 3Å; L310-L313 HydrophobicContact CB-CB 3.92Å; L310-L313 HydrophobicContact CB-CD2 4.49Å; L310-L313 HydrophobicContact CD1-CD2 3.94Å; L310-L313 PolarHBondContact O-N 3.08Å; L310-D334 PolarHBondContact N-O 2.85Å; L310-V335 HydrophobicContact CB-CG1 4.26Å; L310-V335 HydrophobicContact CB-CG2 4.25Å
311	P	97.9	Very high	97.1	Very high	52 Å²	52	25.5 Å²	25.5	34%	0.338	13%	0.128	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-24.9	-170.7	27.1	-36.3	0	0	0	114.6	L286 N309 A337	L286-P311 HydrophobicContact CB-CG 4.44Å; L286-P311 HydrophobicContact CD2-CG 4.22Å; N309-P311 VanDerWaalsContact C-CD 3.46Å; N309-P311 WeakPolarHBondContact O-CD 3.1Å; P311-A337 WeakPolarHBondContact O-CB 3.28Å
312	E	98.4	Very high	97.2	Very high	53 Å²	53	29.3 Å²	29.3	25%	0.248	15%	0.153	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	-0.9	-179.5	-68.8	-168.4	-152.4	0	0	113.9	L286 R287 L288 K289 L310 T314	L286-E312 WeakPolarHBondContact O-CG 3.26Å; R287-E312 WeakPolarHBondContact CD-OE1 3.42Å; R287-E312 IonicContact CZ-OE1 3.6Å; R287-E312 IonicContact NE-OE1 3.84Å; R287-E312 IonicContact NH1-OE1 3.52Å; R287-E312 PolarHBondContact NH1-OE1 3.47Å; L288-E312 CarbonylContact O-C 3.53Å; K289-E312 WeakPolarHBondContact CA-O 3.27Å; K289-E312 WeakPolarHBondContact CE-OE2 3.42Å; K289-E312 HydrophobicContact CG-CB 4.28Å; K289-E312 IonicContact NZ-OE2 2.73Å; L310-E312 VanDerWaalsContact C-N 3.31Å; L310-E312 PolarHBondContact O-N 3Å; E312-T314 WeakPolarHBondContact O-CG2 3.38Å; E312-T314 PolarHBondContact O-N 3.26Å; E312-T314 VanDerWaalsContact O-N 3.12Å
313	L	98.6	Very high	97.1	Very high	0 Å²	0	32.5 Å²	32.5	0%	0	17%	0.166	C	C	.	.			trans	-70	112	-175.8	-174.9	77.5	0	0	0	109.7	L288 L291 L307 L310 V335 A337 L338	L288-L313 HydrophobicContact CD2-CD1 4.17Å; L288-L313 HydrophobicContact CG-CD1 4.08Å; L288-L313 WeakPolarHBondContact O-CA 3.43Å; L288-L313 PolarHBondContact O-N 2.88Å; L291-L313 HydrophobicContact CB-CD1 4.12Å; L307-L313 HydrophobicContact CD2-CD2 3.77Å; L310-L313 HydrophobicContact CB-CB 3.92Å; L310-L313 HydrophobicContact CB-CD2 4.49Å; L310-L313 HydrophobicContact CD1-CD2 3.94Å; L310-L313 PolarHBondContact O-N 3.08Å; L313-V335 HydrophobicContact CB-CG1 4.1Å; L313-V335 HydrophobicContact CD2-CG1 3.9Å; L313-A337 CarbonylContact O-C 3.54Å; L313-L338 HydrophobicContact CD2-CD1 3.93Å; L313-L338 HydrophobicContact CG-CD1 3.91Å; L313-L338 WeakPolarHBondContact O-CA 3.36Å; L313-L338 PolarHBondContact O-N 3.06Å
314	T	98.5	Very high	97.1	Very high	56 Å²	56	32 Å²	32	34%	0.344	16%	0.164	S	C	.	.			trans	-101.6	-27.2	-178.1	57.6	0	0	0	0	112.8	K289 E312 A337 E339 S340	K289-T314 PolarHBondContact O-N 3.3Å; K289-T314 PolarHBondContact O-OG1 3.29Å; E312-T314 WeakPolarHBondContact O-CG2 3.38Å; E312-T314 PolarHBondContact O-N 3.26Å; E312-T314 VanDerWaalsContact O-N 3.12Å; T314-A337 HydrophobicContact CG2-CB 4.5Å; T314-E339 PolarHBondContact O-N 3.31Å; T314-S340 PolarHBondContact O-N 3.39Å; T314-S340 VanDerWaalsContact O-N 3.09Å
315	K	98.6	Very high	97.1	Very high	57 Å²	57	28.5 Å²	28.5	25%	0.248	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	128.8	-174.2	-172.2	173.7	173.1	-135.1	0	112.4	K289 E290 L291 E317 S340	K289-K315 PolarHBondContact O-N 3.24Å; K289-K315 VanDerWaalsContact O-N 3.11Å; E290-K315 WeakPolarHBondContact CA-O 3.3Å; E290-K315 HydrophobicContact CG-CB 4.29Å; E290-K315 HydrophobicContact CG-CD 4.42Å; E290-K315 HydrophobicContact CG-CG 4.48Å; E290-K315 WeakPolarHBondContact OE1-CD 3.35Å; E290-K315 IonicContact OE1-NZ 2.94Å; E290-K315 PolarHBondContact OE1-NZ 3.34Å; L291-K315 PolarHBondContact N-O 3.26Å; L291-K315 VanDerWaalsContact N-O 3.14Å; K315-E317 HydrophobicContact CD-CG 4.4Å; K315-E317 WeakPolarHBondContact CE-OE1 3.39Å; K315-E317 HydrophobicContact CG-CG 4.13Å; K315-E317 IonicContact NZ-OE1 3.63Å; K315-E317 PolarHBondContact NZ-OE1 3.5Å; K315-E317 IonicContact NZ-OE2 2.77Å; K315-S340 WeakPolarHBondContact CA-O 3.46Å
316	L	98.5	Very high	97.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	120.1	171.2	173.8	58.7	0	0	0	109.5	L291 I293 L307 F332 L338 S340 L341 M342	L291-L316 HydrophobicContact CB-CD1 4.07Å; L291-L316 HydrophobicContact CD2-CD1 3.91Å; L291-L316 HydrophobicContact CG-CD1 3.94Å; I293-L316 HydrophobicContact CD1-CD1 4.16Å; I293-L316 HydrophobicContact CG1-CD1 4.14Å; L307-L316 HydrophobicContact CD2-CD2 4.11Å; L316-F332 HydrophobicContact CD2-CE1 3.67Å; L316-F332 HydrophobicContact CD2-CZ 3.87Å; L316-L338 HydrophobicContact CB-CD1 4.1Å; L316-S340 PolarHBondContact N-O 3.48Å; L316-L341 HydrophobicContact CB-CD1 4.09Å; L316-L341 HydrophobicContact CD2-CD1 3.77Å; L316-L341 HydrophobicContact CG-CD1 4.05Å; L316-M342 PolarHBondContact O-N 3.29Å
317	E	98.3	Very high	97	Very high	48 Å²	48	27.6 Å²	27.6	22%	0.224	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	111.2	177.1	-59.7	-172.3	129.3	0	0	111.4	L291 I293 N294 K315 M342	L291-E317 PolarHBondContact O-N 2.78Å; I293-E317 CarbonylContact C-O 3.55Å; I293-E317 VanDerWaalsContact CG1-O 3.24Å; I293-E317 WeakPolarHBondContact CG1-O 3.32Å; I293-E317 PolarHBondContact N-O 3.37Å; N294-E317 WeakPolarHBondContact ND2-CB 3.38Å; N294-E317 WeakPolarHBondContact OD1-CB 3.3Å; N294-E317 PolarHBondContact OD1-O 2.96Å; K315-E317 HydrophobicContact CD-CG 4.4Å; K315-E317 WeakPolarHBondContact CE-OE1 3.39Å; K315-E317 HydrophobicContact CG-CG 4.13Å; K315-E317 IonicContact NZ-OE1 3.63Å; K315-E317 PolarHBondContact NZ-OE1 3.5Å; K315-E317 IonicContact NZ-OE2 2.77Å; E317-M342 HydrophobicContact CG-CB 4.41Å; E317-M342 HydrophobicContact CG-CG 4.06Å
318	A	98	Very high	96.9	Very high	0 Å²	0	28.1 Å²	28.1	0%	0	15%	0.15	C	C	.	.			trans	-129.2	66.3	175.5	0	0	0	0	0	109.6	I293 N321 F324 M342 L343 N346	I293-A318 HydrophobicContact CD1-CB 3.68Å; I293-A318 HydrophobicContact CG1-CB 3.57Å; A318-N321 VanDerWaalsContact C-ND2 3.29Å; A318-N321 PolarHBondContact O-ND2 2.88Å; A318-F324 HydrophobicContact CB-CD1 4.41Å; A318-F324 HydrophobicContact CB-CE1 3.84Å; A318-M342 CarbonylContact C-O 3.55Å; A318-M342 WeakPolarHBondContact CA-O 3.46Å; A318-M342 PolarHBondContact N-O 3.26Å; A318-L343 HydrophobicContact CB-CD2 4.04Å; A318-N346 PolarHBondContact O-ND2 2.81Å; A318-N346 PolarHBondContact O-OD1 3.26Å
319	T	98.1	Very high	96.7	Very high	20 Å²	20	29.4 Å²	29.4	12%	0.123	16%	0.155	C	C	.	.			trans	-106.8	155.5	-175.3	70.1	0	0	0	0	112.4	N294 N295 N321 M342 N344	N294-T319 CarbonylContact C-O 3.59Å; N294-T319 WeakPolarHBondContact CA-O 3.19Å; N294-T319 WeakPolarHBondContact OD1-CB 3.38Å; N294-T319 PolarHBondContact OD1-N 3.09Å; N294-T319 PolarHBondContact OD1-OG1 2.91Å; N295-T319 PolarHBondContact N-O 3.17Å; T319-N321 VanDerWaalsContact C-N 3.32Å; T319-N321 PolarHBondContact O-N 3.17Å; T319-N321 PolarHBondContact O-OD1 3.46Å; T319-M342 HydrophobicContact CG2-CB 3.66Å; T319-N344 WeakPolarHBondContact CA-O 3.48Å; T319-N344 VanDerWaalsContact CG2-OD1 3.27Å; T319-N344 WeakPolarHBondContact CG2-OD1 3.46Å
320	N	97.9	Very high	96.6	Very high	64 Å²	64	30.8 Å²	30.8	34%	0.342	16%	0.159	S	C	.	.	S	Bend	trans	58.8	37.2	176	-57	-27.6	0	0	0	114	N295 P322 N344 N345 N346	N295-N320 WeakPolarHBondContact CA-O 3.42Å; N295-N320 WeakPolarHBondContact OD1-CB 3.35Å; N295-N320 PolarHBondContact OD1-ND2 2.94Å; N320-P322 WeakPolarHBondContact O-CD 3.3Å; N320-N344 PolarHBondContact N-O 3.39Å; N320-N345 CarbonylContact C-O 3.52Å; N320-N345 WeakPolarHBondContact CA-O 3.05Å; N320-N345 PolarHBondContact N-O 3.37Å; N320-N345 WeakPolarHBondContact OD1-CB 3.37Å; N320-N345 PolarHBondContact OD1-ND2 3.17Å; N320-N346 PolarHBondContact N-OD1 3.3Å
321	N	97.7	Very high	96.6	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	16%	0.159	C	C	.	.			trans	-104.3	95.8	177.7	-56.9	-49.1	0	0	0	109.6	I293 N295 M296 L299 A318 T319 K323 F324 N345 N346	I293-N321 PolarHBondContact O-ND2 2.88Å; I293-N321 PolarHBondContact O-OD1 3.03Å; N295-N321 PolarHBondContact N-OD1 3.46Å; N295-N321 VanDerWaalsContact N-OD1 3.09Å; M296-N321 WeakPolarHBondContact CA-OD1 3.36Å; M296-N321 WeakPolarHBondContact CB-OD1 3.13Å; M296-N321 PolarHBondContact N-OD1 3.3Å; L299-N321 HydrophobicContact CD2-CB 4.48Å; A318-N321 VanDerWaalsContact C-ND2 3.29Å; A318-N321 PolarHBondContact O-ND2 2.88Å; T319-N321 VanDerWaalsContact C-N 3.32Å; T319-N321 PolarHBondContact O-N 3.17Å; T319-N321 PolarHBondContact O-OD1 3.46Å; N321-K323 VanDerWaalsContact C-N 3.25Å; N321-K323 PolarHBondContact O-N 3.12Å; N321-K323 VanDerWaalsContact O-N 3.13Å; N321-F324 HydrophobicContact CB-CB 3.46Å; N321-F324 VanDerWaalsContact CB-CB 3.46Å; N321-F324 HydrophobicContact CB-CD1 4.28Å; N321-F324 HydrophobicContact CB-CG 4.3Å; N321-F324 WeakPolarHBondContact O-CB 3.24Å; N321-F324 PolarHBondContact O-N 3.03Å; N321-N345 PolarHBondContact N-O 3.29Å; N321-N346 WeakPolarHBondContact CA-OD1 3.36Å; N321-N346 WeakPolarHBondContact CB-OD1 3.42Å; N321-N346 PolarHBondContact N-OD1 3.46Å; N321-N346 WeakPolarHBondContact O-CA 3.48Å; N321-N346 PolarHBondContact O-OD1 2.7Å
322	P	94.9	Very high	96.5	Very high	81 Å²	81	28.8 Å²	28.8	53%	0.526	15%	0.146	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-18.6	-166.6	26.6	-36.5	0	0	0	114.9	N320 A347	N320-P322 WeakPolarHBondContact O-CD 3.3Å; P322-A347 WeakPolarHBondContact O-CB 3.07Å
323	K	93.9	Very high	96.4	Very high	67 Å²	67	29.9 Å²	29.9	29%	0.291	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.2	-7	175.9	-59.9	-173.6	-164.2	174.9	0	113.1	G297 E298 L299 V300 N321 S325	G297-K323 WeakPolarHBondContact O-CD 3.45Å; G297-K323 VanDerWaalsContact O-CE 3.27Å; G297-K323 WeakPolarHBondContact O-CE 3.08Å; G297-K323 WeakPolarHBondContact O-CG 3.46Å; E298-K323 IonicContact OE1-NZ 3.53Å; E298-K323 PolarHBondContact OE1-NZ 3.37Å; E298-K323 IonicContact OE2-NZ 2.79Å; E298-K323 PolarHBondContact OE2-NZ 2.89Å; L299-K323 CarbonylContact O-C 3.57Å; L299-K323 WeakPolarHBondContact O-CB 3.47Å; V300-K323 HydrophobicContact CG2-CB 4.12Å; N321-K323 VanDerWaalsContact C-N 3.25Å; N321-K323 PolarHBondContact O-N 3.12Å; N321-K323 VanDerWaalsContact O-N 3.13Å; K323-S325 WeakPolarHBondContact O-CB 3.38Å; K323-S325 PolarHBondContact O-N 3.17Å; K323-S325 PolarHBondContact O-OG 2.94Å
324	F	95.6	Very high	96.3	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.175	C	C	.	.			trans	-74.8	104	-172	178	-146.1	0	0	0	109.6	L299 I302 A318 N321 Y326 I327 L343 N346 A347 L348	L299-F324 HydrophobicContact CD2-CB 4.46Å; L299-F324 HydrophobicContact CD2-CD1 4.42Å; L299-F324 HydrophobicContact CD2-CD2 4.38Å; L299-F324 HydrophobicContact CD2-CG 4.19Å; L299-F324 HydrophobicContact CG-CB 4.37Å; L299-F324 HydrophobicContact CG-CD2 4.27Å; L299-F324 HydrophobicContact CG-CG 4.35Å; L299-F324 WeakPolarHBondContact O-CA 3.28Å; L299-F324 WeakPolarHBondContact O-CB 3.29Å; L299-F324 PolarHBondContact O-N 3.12Å; I302-F324 HydrophobicContact CB-CE2 4.48Å; I302-F324 HydrophobicContact CD1-CE1 4.49Å; I302-F324 HydrophobicContact CD1-CE2 4.17Å; I302-F324 HydrophobicContact CD1-CZ 3.61Å; I302-F324 HydrophobicContact CG1-CE2 3.8Å; I302-F324 HydrophobicContact CG1-CZ 3.79Å; A318-F324 HydrophobicContact CB-CD1 4.41Å; A318-F324 HydrophobicContact CB-CE1 3.84Å; N321-F324 HydrophobicContact CB-CB 3.46Å; N321-F324 VanDerWaalsContact CB-CB 3.46Å; N321-F324 HydrophobicContact CB-CD1 4.28Å; N321-F324 HydrophobicContact CB-CG 4.3Å; N321-F324 WeakPolarHBondContact O-CB 3.24Å; N321-F324 PolarHBondContact O-N 3.03Å; F324-Y326 WeakPolarHBondContact CE2-O 3.28Å; F324-I327 HydrophobicContact CE1-CD1 4.26Å; F324-I327 HydrophobicContact CE1-CG1 4.45Å; F324-I327 HydrophobicContact CE2-CD1 4.44Å; F324-I327 HydrophobicContact CE2-CG1 3.77Å; F324-I327 HydrophobicContact CZ-CD1 3.64Å; F324-I327 HydrophobicContact CZ-CG1 3.43Å; F324-I327 VanDerWaalsContact CZ-CG1 3.43Å; F324-L343 HydrophobicContact CE1-CD2 4.04Å; F324-N346 HydrophobicContact CB-CB 4.29Å; F324-N346 HydrophobicContact CD1-CB 4.16Å; F324-A347 CarbonylContact O-C 3.6Å; F324-A347 VanDerWaalsContact O-CA 3.27Å; F324-A347 WeakPolarHBondContact O-CA 3.44Å; F324-A347 WeakPolarHBondContact O-CB 3.22Å; F324-A347 PolarHBondContact O-N 3.25Å; F324-L348 HydrophobicContact CD1-CD2 4.45Å; F324-L348 HydrophobicContact CD2-CD2 4.34Å; F324-L348 HydrophobicContact CE1-CD1 4.43Å; F324-L348 HydrophobicContact CE1-CD2 4.35Å; F324-L348 HydrophobicContact CE2-CD2 4.21Å; F324-L348 HydrophobicContact CG-CD2 4.45Å; F324-L348 HydrophobicContact CZ-CD2 4.23Å; F324-L348 PolarHBondContact O-N 3.11Å
325	S	93.5	Very high	96.3	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.159	C	C	.	.			trans	-126	-11.9	-162	65.1	0	0	0	0	113.9	V300 K323 A347 S426 H427	V300-S325 PolarHBondContact O-N 3.38Å; K323-S325 WeakPolarHBondContact O-CB 3.38Å; K323-S325 PolarHBondContact O-N 3.17Å; K323-S325 PolarHBondContact O-OG 2.94Å; S325-A347 WeakPolarHBondContact CA-O 2.98Å; S325-A347 WeakPolarHBondContact CB-O 3.48Å; S325-S426 WeakPolarHBondContact CB-OG 3.41Å; S325-S426 PolarHBondContact O-OG 2.86Å; S325-S426 PolarHBondContact OG-OG 3.18Å; S325-H427 PolarHBondContact OG-O 3.27Å
326	Y	94.1	Very high	96.3	Very high	15 Å²	15	32.3 Å²	32.3	6%	0.059	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	134	-175.8	-177.2	-95.9	0	0	0	113.8	V300 S301 I302 F324 N328 R447 A448 I449	V300-Y326 PolarHBondContact O-N 3.29Å; S301-Y326 VanDerWaalsContact CA-O 3.22Å; S301-Y326 WeakPolarHBondContact CA-O 3.19Å; I302-Y326 PolarHBondContact N-O 3.34Å; I302-Y326 VanDerWaalsContact N-O 3.08Å; F324-Y326 WeakPolarHBondContact CE2-O 3.28Å; Y326-N328 HydrophobicContact CE1-CB 3.96Å; Y326-N328 PolarHBondContact OH-ND2 3.25Å; Y326-R447 HydrophobicContact CD1-CB 3.82Å; Y326-R447 HydrophobicContact CD1-CG 3.84Å; Y326-R447 HydrophobicContact CD2-CB 3.77Å; Y326-R447 HydrophobicContact CE1-CB 4.19Å; Y326-R447 HydrophobicContact CE1-CG 4.25Å; Y326-R447 HydrophobicContact CE2-CB 4.13Å; Y326-R447 HydrophobicContact CG-CB 3.58Å; Y326-R447 HydrophobicContact CG-CG 4.07Å; Y326-A448 WeakPolarHBondContact CE2-O 3.36Å; Y326-I449 HydrophobicContact CD2-CD1 4.15Å; Y326-I449 HydrophobicContact CD2-CG1 3.82Å; Y326-I449 HydrophobicContact CE2-CG1 3.87Å
327	I	95.6	Very high	96.2	Very high	6 Å²	6	33.4 Å²	33.4	3%	0.031	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	126.9	167.4	-61.4	173.1	0	0	0	107.6	F324 A331 F332 L343 L348 L351 T355	F324-I327 HydrophobicContact CE1-CD1 4.26Å; F324-I327 HydrophobicContact CE1-CG1 4.45Å; F324-I327 HydrophobicContact CE2-CD1 4.44Å; F324-I327 HydrophobicContact CE2-CG1 3.77Å; F324-I327 HydrophobicContact CZ-CD1 3.64Å; F324-I327 HydrophobicContact CZ-CG1 3.43Å; F324-I327 VanDerWaalsContact CZ-CG1 3.43Å; I327-A331 HydrophobicContact CG2-CB 3.82Å; I327-F332 HydrophobicContact CG2-CE2 4.44Å; I327-L343 HydrophobicContact CD1-CD1 3.77Å; I327-L343 HydrophobicContact CD1-CD2 3.85Å; I327-L343 HydrophobicContact CD1-CG 4.47Å; I327-L348 HydrophobicContact CD1-CD1 4.14Å; I327-L348 HydrophobicContact CD1-CD2 4.16Å; I327-L348 HydrophobicContact CG1-CD2 4Å; I327-L351 HydrophobicContact CD1-CD1 4.23Å; I327-T355 HydrophobicContact CG2-CG2 4.29Å
328	N	94.5	Very high	96.2	Very high	14 Å²	14	31.2 Å²	31.2	8%	0.075	16%	0.163	C	C	.	.			trans	-65.6	143.3	176.6	-169.2	-77.5	0	0	0	111.2	I302 Y326 Q330 A331	I302-N328 PolarHBondContact O-N 3.47Å; Y326-N328 HydrophobicContact CE1-CB 3.96Å; Y326-N328 PolarHBondContact OH-ND2 3.25Å; N328-Q330 PolarHBondContact O-N 3.35Å; N328-Q330 VanDerWaalsContact O-N 3.1Å; N328-Q330 PolarHBondContact OD1-N 3.25Å; N328-A331 HydrophobicContact CB-CB 4.34Å; N328-A331 WeakPolarHBondContact O-CB 3.32Å; N328-A331 PolarHBondContact O-N 2.94Å
329	R	93.6	Very high	96.2	Very high	32 Å²	32	34.3 Å²	34.3	12%	0.121	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-24.3	178	60.9	-179.7	62.1	-169.5	-7.2	114.6	Y352 T355 S450 E453	R329-Y352 HydrophobicContact CB-CD2 3.8Å; R329-Y352 HydrophobicContact CB-CE2 4.28Å; R329-Y352 HydrophobicContact CB-CG 3.97Å; R329-Y352 PolarHBondContact NH2-OH 2.93Å; R329-T355 WeakPolarHBondContact CA-OG1 3.3Å; R329-T355 PolarHBondContact O-OG1 2.84Å; R329-S450 PolarHBondContact NH2-O 2.77Å; R329-E453 IonicContact CZ-OE2 4Å; R329-E453 IonicContact NE-OE2 2.72Å; R329-E453 IonicContact NH1-OE2 3.16Å; R329-E453 PolarHBondContact NH1-OE2 2.99Å
330	Q	94.8	Very high	96.2	Very high	81 Å²	81	33.9 Å²	33.9	38%	0.379	18%	0.175	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.5	27.8	178	-72.6	178.7	-14.6	0	0	111.6	R304 Y305 N328 F332	R304-Q330 HydrophobicContact CG-CB 4.08Å; R304-Q330 VanDerWaalsContact CZ-OE1 3.23Å; R304-Q330 VanDerWaalsContact NH2-OE1 3.13Å; Y305-Q330 HydrophobicContact CD1-CB 4.4Å; Y305-Q330 VanDerWaalsContact CD1-O 3.25Å; Y305-Q330 WeakPolarHBondContact CD1-O 3.3Å; Y305-Q330 HydrophobicContact CE1-CB 3.88Å; Y305-Q330 PolarHBondContact N-O 2.89Å; Y305-Q330 PolarHBondContact OH-OE1 3.37Å; N328-Q330 PolarHBondContact O-N 3.35Å; N328-Q330 VanDerWaalsContact O-N 3.1Å; N328-Q330 PolarHBondContact OD1-N 3.25Å; Q330-F332 VanDerWaalsContact C-N 3.26Å; Q330-F332 PolarHBondContact O-N 3.46Å
331	A	96.9	Very high	96.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.159	C	C	.	.	S	Bend	trans	-60.4	-36.1	178.1	0	0	0	0	0	112.9	I302 D303 A306 L307 I327 N328	I302-A331 HydrophobicContact CG2-CB 3.86Å; D303-A331 WeakPolarHBondContact O-CA 3.46Å; A306-A331 PolarHBondContact N-O 3.25Å; L307-A331 PolarHBondContact N-O 3.05Å; L307-A331 VanDerWaalsContact N-O 3.08Å; I327-A331 HydrophobicContact CG2-CB 3.82Å; N328-A331 HydrophobicContact CB-CB 4.34Å; N328-A331 WeakPolarHBondContact O-CB 3.32Å; N328-A331 PolarHBondContact O-N 2.94Å
332	F	97.1	Very high	96.3	Very high	11 Å²	11	31.5 Å²	31.5	5%	0.048	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	123.6	179.2	-52.9	-81.5	0	0	0	110.4	L307 L316 I327 Q330 V335 L338 L341 T355 L359	L307-F332 HydrophobicContact CB-CD1 3.89Å; L307-F332 HydrophobicContact CB-CE1 4.36Å; L307-F332 HydrophobicContact CD1-CD1 4.1Å; L307-F332 HydrophobicContact CD1-CE1 3.78Å; L307-F332 HydrophobicContact CD1-CZ 4.49Å; L307-F332 HydrophobicContact CD2-CD1 4.33Å; L307-F332 HydrophobicContact CD2-CE1 4.07Å; L307-F332 HydrophobicContact CG-CD1 4.33Å; L307-F332 HydrophobicContact CG-CE1 4.29Å; L307-F332 WeakPolarHBondContact O-CA 3.4Å; L316-F332 HydrophobicContact CD2-CE1 3.67Å; L316-F332 HydrophobicContact CD2-CZ 3.87Å; I327-F332 HydrophobicContact CG2-CE2 4.44Å; Q330-F332 VanDerWaalsContact C-N 3.26Å; Q330-F332 PolarHBondContact O-N 3.46Å; F332-V335 HydrophobicContact CB-CG2 4.15Å; F332-V335 HydrophobicContact CD1-CG2 4.41Å; F332-L338 HydrophobicContact CE1-CD2 4.37Å; F332-L341 HydrophobicContact CZ-CD1 4.3Å; F332-T355 HydrophobicContact CD2-CG2 3.54Å; F332-T355 HydrophobicContact CE2-CG2 3.5Å; F332-L359 HydrophobicContact CB-CD2 3.91Å; F332-L359 HydrophobicContact CD1-CD2 4.26Å; F332-L359 HydrophobicContact CD2-CD1 4.16Å; F332-L359 HydrophobicContact CE2-CD1 4.38Å; F332-L359 HydrophobicContact CG-CD1 4.42Å; F332-L359 HydrophobicContact CG-CD2 3.98Å; F332-L359 HydrophobicContact CG-CG 4.49Å
333	R	96.3	Very high	96.4	Very high	75 Å²	75	27.7 Å²	27.7	28%	0.283	14%	0.138	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	129.4	170.8	-177.9	171.5	72	-161.6	-0	109.1	Y305 L307 D308 N309 V335	Y305-R333 HydrophobicContact CD1-CB 3.88Å; Y305-R333 HydrophobicContact CE1-CB 4.33Å; L307-R333 PolarHBondContact O-N 3.15Å; D308-R333 WeakPolarHBondContact CA-O 3.44Å; D308-R333 IonicContact OD1-CZ 3.3Å; D308-R333 IonicContact OD1-NE 3.9Å; D308-R333 PolarHBondContact OD1-NE 3.48Å; D308-R333 IonicContact OD1-NH2 3.59Å; D308-R333 PolarHBondContact OD1-NH2 3.26Å; D308-R333 VanDerWaalsContact OD1-NH2 3.16Å; D308-R333 IonicContact OD2-CZ 2.7Å; D308-R333 IonicContact OD2-NE 3.33Å; D308-R333 IonicContact OD2-NH2 2.69Å; D308-R333 PolarHBondContact OD2-NH2 3.29Å; N309-R333 PolarHBondContact N-O 3.08Å; R333-V335 WeakPolarHBondContact O-CG2 3.41Å; R333-V335 PolarHBondContact O-N 2.92Å
334	D	96.8	Very high	96.6	Very high	107 Å²	107	25.6 Å²	25.6	57%	0.572	13%	0.129	S	C	*	.	S	Bend	trans	53.8	50.3	-180	-55.8	-33.8	0	0	0	112.9	L310 P336	L310-D334 PolarHBondContact N-O 2.85Å; D334-P336 VanDerWaalsContact O-CD 3.26Å; D334-P336 WeakPolarHBondContact O-CD 3.25Å
335	V	97.9	Very high	96.7	Very high	3 Å²	3	28.5 Å²	28.5	2%	0.018	15%	0.145	C	C	.	.			trans	-117.2	62.8	175.9	-164.6	0	0	0	0	110.4	L307 L310 L313 F332 R333 A337 L338 L359	L307-V335 HydrophobicContact CB-CG2 4.34Å; L310-V335 HydrophobicContact CB-CG1 4.26Å; L310-V335 HydrophobicContact CB-CG2 4.25Å; L313-V335 HydrophobicContact CB-CG1 4.1Å; L313-V335 HydrophobicContact CD2-CG1 3.9Å; F332-V335 HydrophobicContact CB-CG2 4.15Å; F332-V335 HydrophobicContact CD1-CG2 4.41Å; R333-V335 WeakPolarHBondContact O-CG2 3.41Å; R333-V335 PolarHBondContact O-N 2.92Å; V335-A337 PolarHBondContact O-N 3.49Å; V335-L338 HydrophobicContact CG1-CB 4.04Å; V335-L359 HydrophobicContact CB-CD2 4.09Å; V335-L359 HydrophobicContact CG1-CD2 4.43Å
336	P	97.3	Very high	96.9	Very high	55 Å²	55	29 Å²	29	36%	0.357	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-26.5	-169.6	29.4	-38	0	0	0	114.3	D334 P360 N361	D334-P336 VanDerWaalsContact O-CD 3.26Å; D334-P336 WeakPolarHBondContact O-CD 3.25Å; P336-P360 HydrophobicContact CB-CG 4.36Å; P336-N361 VanDerWaalsContact O-CB 3.32Å; P336-N361 WeakPolarHBondContact O-CB 3.44Å; P336-N361 PolarHBondContact O-ND2 2.77Å
337	A	98.1	Very high	96.9	Very high	23 Å²	23	29 Å²	29	19%	0.19	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.7	-1.2	-172.2	0	0	0	0	0	114.7	P311 L313 T314 V335 E339	P311-A337 WeakPolarHBondContact O-CB 3.28Å; L313-A337 CarbonylContact O-C 3.54Å; T314-A337 HydrophobicContact CG2-CB 4.5Å; V335-A337 PolarHBondContact O-N 3.49Å; A337-E339 WeakPolarHBondContact O-CG 3.36Å; A337-E339 PolarHBondContact O-N 3.3Å; A337-E339 VanDerWaalsContact O-N 3.14Å
338	L	98.4	Very high	96.9	Very high	1 Å²	1	28.7 Å²	28.7	1%	0.005	15%	0.149	C	C	.	.			trans	-67.1	116.5	-173.9	-165.9	73.6	0	0	0	110.3	L313 L316 F332 V335 L359 N361 L362	L313-L338 HydrophobicContact CD2-CD1 3.93Å; L313-L338 HydrophobicContact CG-CD1 3.91Å; L313-L338 WeakPolarHBondContact O-CA 3.36Å; L313-L338 PolarHBondContact O-N 3.06Å; L316-L338 HydrophobicContact CB-CD1 4.1Å; F332-L338 HydrophobicContact CE1-CD2 4.37Å; V335-L338 HydrophobicContact CG1-CB 4.04Å; L338-L359 HydrophobicContact CB-CD2 4.12Å; L338-L359 HydrophobicContact CD2-CD1 3.84Å; L338-L359 HydrophobicContact CD2-CD2 3.83Å; L338-L359 HydrophobicContact CD2-CG 4.42Å; L338-N361 CarbonylContact O-C 3.3Å; L338-N361 VanDerWaalsContact O-C 3.29Å; L338-L362 HydrophobicContact CD2-CD1 4.36Å; L338-L362 HydrophobicContact CG-CD1 4.33Å; L338-L362 VanDerWaalsContact O-CA 3.22Å; L338-L362 WeakPolarHBondContact O-CA 3.46Å; L338-L362 PolarHBondContact O-N 3.48Å
339	E	97.8	Very high	96.9	Very high	65 Å²	65	28.1 Å²	28.1	30%	0.304	15%	0.146	S	C	.	.			trans	-103.4	-33.5	-178.6	-57.4	-163.9	160.2	0	0	111.9	T314 A337 R363 E364	T314-E339 PolarHBondContact O-N 3.31Å; A337-E339 WeakPolarHBondContact O-CG 3.36Å; A337-E339 PolarHBondContact O-N 3.3Å; A337-E339 VanDerWaalsContact O-N 3.14Å; E339-R363 HydrophobicContact CB-CG 4.43Å; E339-R363 VanDerWaalsContact CD-CZ 3.42Å; E339-R363 VanDerWaalsContact CD-NH1 3.35Å; E339-R363 PolarHBondContact O-N 3.46Å; E339-R363 IonicContact OE1-CZ 3.56Å; E339-R363 IonicContact OE1-NE 3.12Å; E339-R363 IonicContact OE1-NH1 2.66Å; E339-R363 PolarHBondContact OE1-NH1 2.8Å; E339-R363 IonicContact OE1-NH2 3.86Å; E339-R363 PolarHBondContact OE1-NH2 3.45Å; E339-R363 IonicContact OE2-CZ 2.81Å; E339-R363 IonicContact OE2-NE 3.41Å; E339-R363 IonicContact OE2-NH1 3.84Å; E339-R363 PolarHBondContact OE2-NH1 2.72Å; E339-R363 IonicContact OE2-NH2 3.99Å; E339-E364 PolarHBondContact O-N 2.82Å; E339-E364 VanDerWaalsContact O-N 3.08Å
340	S	98.2	Very high	96.9	Very high	12 Å²	12	26.7 Å²	26.7	8%	0.084	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.9	-172.2	-170.6	0	0	0	0	111.7	T314 K315 L316 M342 E364	T314-S340 PolarHBondContact O-N 3.39Å; T314-S340 VanDerWaalsContact O-N 3.09Å; K315-S340 WeakPolarHBondContact CA-O 3.46Å; L316-S340 PolarHBondContact N-O 3.48Å; S340-M342 WeakPolarHBondContact OG-CE 3.39Å; S340-E364 WeakPolarHBondContact CB-OE1 3.44Å; S340-E364 PolarHBondContact OG-OE1 3.46Å
341	L	98.3	Very high	96.9	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	104.3	179.9	176.7	60.4	0	0	0	111.3	L316 F332 L343 L359 L362 E364 I365 S366	L316-L341 HydrophobicContact CB-CD1 4.09Å; L316-L341 HydrophobicContact CD2-CD1 3.77Å; L316-L341 HydrophobicContact CG-CD1 4.05Å; F332-L341 HydrophobicContact CZ-CD1 4.3Å; L341-L343 HydrophobicContact CD1-CD1 4.3Å; L341-L343 HydrophobicContact CD1-CD2 3.97Å; L341-L343 HydrophobicContact CD1-CG 4.04Å; L341-L343 HydrophobicContact CD2-CD1 3.99Å; L341-L343 HydrophobicContact CG-CD1 3.95Å; L341-L343 HydrophobicContact CG-CD2 4.42Å; L341-L343 HydrophobicContact CG-CG 3.94Å; L341-L359 HydrophobicContact CD2-CD1 4.38Å; L341-L362 HydrophobicContact CB-CD1 3.85Å; L341-E364 PolarHBondContact N-O 2.82Å; L341-I365 HydrophobicContact CB-CG1 4.23Å; L341-I365 HydrophobicContact CD2-CG1 4.43Å; L341-I365 WeakPolarHBondContact O-CA 3.43Å; L341-S366 PolarHBondContact O-N 2.71Å
342	M	98.4	Very high	96.7	Very high	14 Å²	14	23.4 Å²	23.4	7%	0.069	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	113.4	-176	-46.9	-70.6	90.6	0	0	110.8	L316 E317 A318 T319 S340 E364 M391	L316-M342 PolarHBondContact O-N 3.29Å; E317-M342 HydrophobicContact CG-CB 4.41Å; E317-M342 HydrophobicContact CG-CG 4.06Å; A318-M342 CarbonylContact C-O 3.55Å; A318-M342 WeakPolarHBondContact CA-O 3.46Å; A318-M342 PolarHBondContact N-O 3.26Å; T319-M342 HydrophobicContact CG2-CB 3.66Å; S340-M342 WeakPolarHBondContact OG-CE 3.39Å; M342-E364 HydrophobicContact CE-CG 4.25Å; M342-M391 HydrophobicContact CE-CE 3.49Å; M342-M391 VanDerWaalsContact CE-CE 3.49Å; M342-M391 HydrophobicContact SD-CE 3.12Å; M342-M391 WeakPolarHBondContact SD-CE 3.13Å
343	L	98.1	Very high	96.5	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.005	15%	0.145	C	C	.	.			trans	-130.6	20.6	-176.2	-56.4	174.4	0	0	0	112.5	A318 F324 I327 L341 N346 L348 L351 S366 I367 N370	A318-L343 HydrophobicContact CB-CD2 4.04Å; F324-L343 HydrophobicContact CE1-CD2 4.04Å; I327-L343 HydrophobicContact CD1-CD1 3.77Å; I327-L343 HydrophobicContact CD1-CD2 3.85Å; I327-L343 HydrophobicContact CD1-CG 4.47Å; L341-L343 HydrophobicContact CD1-CD1 4.3Å; L341-L343 HydrophobicContact CD1-CD2 3.97Å; L341-L343 HydrophobicContact CD1-CG 4.04Å; L341-L343 HydrophobicContact CD2-CD1 3.99Å; L341-L343 HydrophobicContact CG-CD1 3.95Å; L341-L343 HydrophobicContact CG-CD2 4.42Å; L341-L343 HydrophobicContact CG-CG 3.94Å; L343-N346 PolarHBondContact O-ND2 3.28Å; L343-L348 HydrophobicContact CB-CD1 3.82Å; L343-L348 HydrophobicContact CD1-CD1 4.15Å; L343-L348 HydrophobicContact CD2-CD1 4.48Å; L343-L348 HydrophobicContact CG-CD1 4.39Å; L343-L351 HydrophobicContact CD1-CD1 4.44Å; L343-L351 HydrophobicContact CD1-CD2 4.19Å; L343-S366 CarbonylContact C-O 3.56Å; L343-S366 VanDerWaalsContact C-O 3.26Å; L343-S366 WeakPolarHBondContact CA-O 3.18Å; L343-S366 VanDerWaalsContact CB-O 3.25Å; L343-S366 WeakPolarHBondContact CB-O 3.44Å; L343-S366 PolarHBondContact N-O 3.49Å; L343-I367 HydrophobicContact CB-CG1 4.43Å; L343-N370 PolarHBondContact O-ND2 3.37Å
344	N	97.6	Very high	96.3	Very high	22 Å²	22	26.7 Å²	26.7	12%	0.118	15%	0.15	C	C	.	.			trans	-75.9	157.6	-179.3	55.2	-80.3	0	0	0	113.5	T319 N320 N346 S366 H368	T319-N344 WeakPolarHBondContact CA-O 3.48Å; T319-N344 VanDerWaalsContact CG2-OD1 3.27Å; T319-N344 WeakPolarHBondContact CG2-OD1 3.46Å; N320-N344 PolarHBondContact N-O 3.39Å; N344-N346 PolarHBondContact O-ND2 3.25Å; N344-S366 WeakPolarHBondContact CB-OG 3.43Å; N344-S366 PolarHBondContact N-O 2.73Å; N344-S366 WeakPolarHBondContact OD1-CB 3.48Å; N344-S366 PolarHBondContact OD1-OG 3.19Å; N344-H368 WeakPolarHBondContact CA-O 3.47Å; N344-H368 VanDerWaalsContact CB-NE2 3.32Å; N344-H368 WeakPolarHBondContact CB-NE2 3.22Å
345	N	97.3	Very high	96.2	Very high	62 Å²	62	21.6 Å²	21.6	33%	0.332	12%	0.123	S	C	.	.	S	Bend	trans	57.8	46.2	177.8	-56.5	-30.1	0	0	0	112.9	N320 N321 H368 S369	N320-N345 CarbonylContact C-O 3.52Å; N320-N345 WeakPolarHBondContact CA-O 3.05Å; N320-N345 PolarHBondContact N-O 3.37Å; N320-N345 WeakPolarHBondContact OD1-CB 3.37Å; N320-N345 PolarHBondContact OD1-ND2 3.17Å; N321-N345 PolarHBondContact N-O 3.29Å; N345-H368 PolarHBondContact N-O 2.97Å; N345-S369 WeakPolarHBondContact CA-O 3.43Å; N345-S369 WeakPolarHBondContact OD1-CB 3.17Å; N345-S369 PolarHBondContact OD1-OG 2.6Å
346	N	97.5	Very high	96	Very high	11 Å²	11	22 Å²	22	6%	0.059	13%	0.125	C	C	.	.	S	Bend	trans	-120.3	-164.9	175.9	-58.9	-51.4	0	0	0	111.1	A318 N320 N321 F324 L343 N344 L348 N370 P371	A318-N346 PolarHBondContact O-ND2 2.81Å; A318-N346 PolarHBondContact O-OD1 3.26Å; N320-N346 PolarHBondContact N-OD1 3.3Å; N321-N346 WeakPolarHBondContact CA-OD1 3.36Å; N321-N346 WeakPolarHBondContact CB-OD1 3.42Å; N321-N346 PolarHBondContact N-OD1 3.46Å; N321-N346 WeakPolarHBondContact O-CA 3.48Å; N321-N346 PolarHBondContact O-OD1 2.7Å; F324-N346 HydrophobicContact CB-CB 4.29Å; F324-N346 HydrophobicContact CD1-CB 4.16Å; L343-N346 PolarHBondContact O-ND2 3.28Å; N344-N346 PolarHBondContact O-ND2 3.25Å; N346-L348 HydrophobicContact CB-CG 4.21Å; N346-N370 WeakPolarHBondContact CA-OD1 3.46Å; N346-N370 VanDerWaalsContact CB-OD1 3.23Å; N346-N370 WeakPolarHBondContact CB-OD1 3.39Å; N346-N370 PolarHBondContact N-OD1 3.22Å; N346-N370 PolarHBondContact O-OD1 2.97Å; N346-P371 WeakPolarHBondContact O-CD 3.24Å
347	A	95.4	Very high	95.8	Very high	14 Å²	14	24.5 Å²	24.5	12%	0.116	14%	0.136	C	C	.	.			trans	-109.3	21.7	175.8	0	0	0	0	0	113	P322 F324 S325 N349	P322-A347 WeakPolarHBondContact O-CB 3.07Å; F324-A347 CarbonylContact O-C 3.6Å; F324-A347 VanDerWaalsContact O-CA 3.27Å; F324-A347 WeakPolarHBondContact O-CA 3.44Å; F324-A347 WeakPolarHBondContact O-CB 3.22Å; F324-A347 PolarHBondContact O-N 3.25Å; S325-A347 WeakPolarHBondContact CA-O 2.98Å; S325-A347 WeakPolarHBondContact CB-O 3.48Å; A347-N349 PolarHBondContact O-N 3.09Å
348	L	95.2	Very high	95.6	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.144	C	C	.	.			trans	-66.2	130.1	-175.7	-63.2	171.1	0	0	0	111	F324 I327 L343 N346 N370 P371	F324-L348 HydrophobicContact CD1-CD2 4.45Å; F324-L348 HydrophobicContact CD2-CD2 4.34Å; F324-L348 HydrophobicContact CE1-CD1 4.43Å; F324-L348 HydrophobicContact CE1-CD2 4.35Å; F324-L348 HydrophobicContact CE2-CD2 4.21Å; F324-L348 HydrophobicContact CG-CD2 4.45Å; F324-L348 HydrophobicContact CZ-CD2 4.23Å; F324-L348 PolarHBondContact O-N 3.11Å; I327-L348 HydrophobicContact CD1-CD1 4.14Å; I327-L348 HydrophobicContact CD1-CD2 4.16Å; I327-L348 HydrophobicContact CG1-CD2 4Å; L343-L348 HydrophobicContact CB-CD1 3.82Å; L343-L348 HydrophobicContact CD1-CD1 4.15Å; L343-L348 HydrophobicContact CD2-CD1 4.48Å; L343-L348 HydrophobicContact CG-CD1 4.39Å; N346-L348 HydrophobicContact CB-CG 4.21Å; L348-N370 HydrophobicContact CB-CB 4.4Å; L348-N370 WeakPolarHBondContact CB-OD1 3.33Å; L348-N370 PolarHBondContact N-OD1 2.84Å; L348-P371 CarbonylContact O-C 3.26Å; L348-P371 WeakPolarHBondContact O-CD 3.23Å
349	N	92.9	Very high	95.5	Very high	1 Å²	1	25.7 Å²	25.7	1%	0.005	15%	0.145	C	C	.	.			trans	-87.2	-29.7	173.7	-65	133.2	0	0	0	112.6	A347 P371 L372 R373 M400 L424 H427 I449	A347-N349 PolarHBondContact O-N 3.09Å; N349-P371 PolarHBondContact ND2-O 3.45Å; N349-L372 CarbonylContact O-C 3.51Å; N349-L372 WeakPolarHBondContact O-CA 3.36Å; N349-R373 PolarHBondContact O-N 2.87Å; N349-M400 WeakPolarHBondContact ND2-CE 3.18Å; N349-L424 HydrophobicContact CB-CD2 4.38Å; N349-H427 PolarHBondContact OD1-ND1 3.12Å; N349-I449 HydrophobicContact CB-CD1 4.16Å
350	A	93.7	Very high	95.4	Very high	2 Å²	2	27.1 Å²	27.1	2%	0.017	16%	0.16	C	C	.	.			trans	-161	165.8	177.9	0	0	0	0	0	111.1	V377 I378 I449	A350-V377 HydrophobicContact CB-CB 4.16Å; A350-V377 HydrophobicContact CB-CG1 3.7Å; A350-I378 HydrophobicContact CB-CG2 3.47Å; A350-I378 VanDerWaalsContact CB-CG2 3.47Å; A350-I449 HydrophobicContact CB-CD1 4.22Å; A350-I449 HydrophobicContact CB-CG2 3.98Å
351	L	94.9	Very high	95.3	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	18%	0.178	C	C	.	.			trans	-127.3	125.7	165.3	-178.3	66.4	0	0	0	108	I327 L343 T355 V356 I365 I367 W380 M381	I327-L351 HydrophobicContact CD1-CD1 4.23Å; L343-L351 HydrophobicContact CD1-CD1 4.44Å; L343-L351 HydrophobicContact CD1-CD2 4.19Å; L351-T355 HydrophobicContact CD1-CG2 3.8Å; L351-V356 HydrophobicContact CD2-CG2 3.85Å; L351-V356 HydrophobicContact CG-CG2 4.33Å; L351-I365 HydrophobicContact CD2-CD1 4.33Å; L351-I367 HydrophobicContact CB-CD1 3.84Å; L351-I367 HydrophobicContact CD2-CD1 4.41Å; L351-W380 HydrophobicContact CB-CZ2 4.45Å; L351-W380 HydrophobicContact CD2-CZ2 4.11Å; L351-W380 HydrophobicContact CG-CZ2 4.34Å; L351-W380 PolarHBondContact O-NE1 3.22Å; L351-M381 HydrophobicContact CB-CE 3.72Å
352	Y	94.3	Very high	95.2	Very high	11 Å²	11	31.2 Å²	31.2	4%	0.043	18%	0.181	C	C	.	.			trans	-68.1	145.9	-179.3	-71.5	-80.7	0	0	0	111.5	R329 S354 T355 V377 I449 S450	R329-Y352 HydrophobicContact CB-CD2 3.8Å; R329-Y352 HydrophobicContact CB-CE2 4.28Å; R329-Y352 HydrophobicContact CB-CG 3.97Å; R329-Y352 PolarHBondContact NH2-OH 2.93Å; Y352-S354 VanDerWaalsContact C-N 3.3Å; Y352-S354 PolarHBondContact O-N 2.69Å; Y352-T355 WeakPolarHBondContact O-CB 3.41Å; Y352-T355 PolarHBondContact O-N 2.79Å; Y352-V377 HydrophobicContact CD1-CG1 3.56Å; Y352-V377 HydrophobicContact CE1-CG1 3.73Å; Y352-V377 HydrophobicContact CE1-CG2 4.27Å; Y352-V377 HydrophobicContact CG-CG1 4.11Å; Y352-I449 WeakPolarHBondContact OH-CA 3.33Å; Y352-S450 PolarHBondContact OH-N 2.86Å
353	Q	91.8	Very high	95.1	Very high	101 Å²	101	37.6 Å²	37.6	47%	0.472	20%	0.204	S	C	.	.	H	α-helix	trans	-59.6	-43	173	-167.8	-177.4	-15.3	0	0	111.4	T355 V356 D357 W380	Q353-T355 PolarHBondContact O-N 3.36Å; Q353-V356 WeakPolarHBondContact O-CA 3.15Å; Q353-V356 PolarHBondContact O-N 2.03Å; Q353-D357 VanDerWaalsContact O-CG 3.31Å; Q353-D357 PolarHBondContact O-N 3.25Å; Q353-W380 HydrophobicContact CB-CB 3.98Å; Q353-W380 HydrophobicContact CB-CD2 4.48Å; Q353-W380 HydrophobicContact CB-CG 3.74Å; Q353-W380 HydrophobicContact CG-CB 3.68Å; Q353-W380 HydrophobicContact CG-CD2 4.39Å; Q353-W380 HydrophobicContact CG-CG 3.79Å
354	S	92.9	Very high	95	Very high	54 Å²	54	40 Å²	40	38%	0.378	22%	0.215	S	C	.	.	H	α-helix	trans	-61.7	-27.5	-180	61.1	0	0	0	0	113.6	Y352 V356 A358	Y352-S354 VanDerWaalsContact C-N 3.3Å; Y352-S354 PolarHBondContact O-N 2.69Å; S354-V356 VanDerWaalsContact C-N 3.29Å; S354-A358 WeakPolarHBondContact O-CB 2.89Å; S354-A358 PolarHBondContact O-N 3.26Å; S354-A358 VanDerWaalsContact O-N 3.12Å
355	T	94.5	Very high	95	Very high	1 Å²	1	39 Å²	39	1%	0.006	21%	0.21	C	C	.	.	H	α-helix	trans	-64.5	-38.6	173.8	-56.3	0	0	0	0	110.9	I327 R329 F332 L351 Y352 Q353	I327-T355 HydrophobicContact CG2-CG2 4.29Å; R329-T355 WeakPolarHBondContact CA-OG1 3.3Å; R329-T355 PolarHBondContact O-OG1 2.84Å; F332-T355 HydrophobicContact CD2-CG2 3.54Å; F332-T355 HydrophobicContact CE2-CG2 3.5Å; L351-T355 HydrophobicContact CD1-CG2 3.8Å; Y352-T355 WeakPolarHBondContact O-CB 3.41Å; Y352-T355 PolarHBondContact O-N 2.79Å; Q353-T355 PolarHBondContact O-N 3.36Å
356	V	93.6	Very high	94.9	Very high	11 Å²	11	36.1 Å²	36.1	7%	0.067	20%	0.195	C	C	.	.	H	α-helix	trans	-79.7	-39.4	178.5	176.2	0	0	0	0	111.1	L351 Q353 S354 A358 L359 L362 I365 W380 V388	L351-V356 HydrophobicContact CD2-CG2 3.85Å; L351-V356 HydrophobicContact CG-CG2 4.33Å; Q353-V356 WeakPolarHBondContact O-CA 3.15Å; Q353-V356 PolarHBondContact O-N 2.03Å; S354-V356 VanDerWaalsContact C-N 3.29Å; V356-A358 PolarHBondContact O-N 3.42Å; V356-L359 WeakPolarHBondContact O-CB 3.38Å; V356-L359 PolarHBondContact O-N 3.21Å; V356-L362 HydrophobicContact CG1-CD2 3.99Å; V356-I365 HydrophobicContact CG1-CD1 4.43Å; V356-I365 HydrophobicContact CG2-CD1 3.86Å; V356-W380 HydrophobicContact CB-CH2 4.42Å; V356-W380 HydrophobicContact CG1-CH2 4.49Å; V356-W380 HydrophobicContact CG1-CZ3 4.42Å; V356-W380 HydrophobicContact CG2-CH2 3.64Å; V356-W380 HydrophobicContact CG2-CZ2 3.73Å; V356-W380 HydrophobicContact CG2-CZ3 4.32Å; V356-V388 HydrophobicContact CG1-CG2 3.98Å
357	D	92.6	Very high	94.9	Very high	107 Å²	107	35.6 Å²	35.6	57%	0.572	19%	0.192	S	C	*	.	H	α-helix	trans	-62.1	-26.2	176.6	-62.5	-25.4	0	0	0	112.1	Q353 L359	Q353-D357 VanDerWaalsContact O-CG 3.31Å; Q353-D357 PolarHBondContact O-N 3.25Å; D357-L359 PolarHBondContact O-N 2.97Å
358	A	94.6	Very high	94.9	Very high	44 Å²	44	35.7 Å²	35.7	36%	0.364	19%	0.19	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-9.9	173	0	0	0	0	0	113.8	S354 V356 P360	S354-A358 WeakPolarHBondContact O-CB 2.89Å; S354-A358 PolarHBondContact O-N 3.26Å; S354-A358 VanDerWaalsContact O-N 3.12Å; V356-A358 PolarHBondContact O-N 3.42Å; A358-P360 WeakPolarHBondContact O-CD 3.33Å
359	L	96.5	Very high	95	Very high	6 Å²	6	38.6 Å²	38.6	3%	0.031	21%	0.21	C	C	.	.			trans	-116.5	85.2	-174.3	-59.5	169.2	0	0	0	110.1	F332 V335 L338 L341 V356 D357 N361 L362	F332-L359 HydrophobicContact CB-CD2 3.91Å; F332-L359 HydrophobicContact CD1-CD2 4.26Å; F332-L359 HydrophobicContact CD2-CD1 4.16Å; F332-L359 HydrophobicContact CE2-CD1 4.38Å; F332-L359 HydrophobicContact CG-CD1 4.42Å; F332-L359 HydrophobicContact CG-CD2 3.98Å; F332-L359 HydrophobicContact CG-CG 4.49Å; V335-L359 HydrophobicContact CB-CD2 4.09Å; V335-L359 HydrophobicContact CG1-CD2 4.43Å; L338-L359 HydrophobicContact CB-CD2 4.12Å; L338-L359 HydrophobicContact CD2-CD1 3.84Å; L338-L359 HydrophobicContact CD2-CD2 3.83Å; L338-L359 HydrophobicContact CD2-CG 4.42Å; L341-L359 HydrophobicContact CD2-CD1 4.38Å; V356-L359 WeakPolarHBondContact O-CB 3.38Å; V356-L359 PolarHBondContact O-N 3.21Å; D357-L359 PolarHBondContact O-N 2.97Å; L359-N361 VanDerWaalsContact C-N 3.35Å; L359-N361 PolarHBondContact O-N 3.37Å; L359-L362 HydrophobicContact CB-CB 3.93Å; L359-L362 HydrophobicContact CB-CD2 4.31Å; L359-L362 HydrophobicContact CD1-CD1 4.49Å; L359-L362 HydrophobicContact CD1-CD2 3.97Å; L359-L362 WeakPolarHBondContact O-CB 3.11Å; L359-L362 PolarHBondContact O-N 2.95Å
360	P	94.5	Very high	95.2	Very high	94 Å²	94	39.1 Å²	39.1	61%	0.61	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-29	-168.1	25.6	-35.4	0	0	0	114.7	P336 A358	P336-P360 HydrophobicContact CB-CG 4.36Å; A358-P360 WeakPolarHBondContact O-CD 3.33Å
361	N	96.2	Very high	95.2	Very high	88 Å²	88	41 Å²	41	47%	0.471	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	-99.7	10.9	-178.8	-69.1	-45.2	0	0	0	113.7	P336 L338 L359 R363	P336-N361 VanDerWaalsContact O-CB 3.32Å; P336-N361 WeakPolarHBondContact O-CB 3.44Å; P336-N361 PolarHBondContact O-ND2 2.77Å; L338-N361 CarbonylContact O-C 3.3Å; L338-N361 VanDerWaalsContact O-C 3.29Å; L359-N361 VanDerWaalsContact C-N 3.35Å; L359-N361 PolarHBondContact O-N 3.37Å; N361-R363 WeakPolarHBondContact O-CG 3.28Å; N361-R363 PolarHBondContact O-N 3.37Å
362	L	97.1	Very high	95.2	Very high	10 Å²	10	41 Å²	41	5%	0.052	23%	0.225	C	C	.	.			trans	-65.1	121.7	-177.2	-167.5	68.3	0	0	0	110.9	L338 L341 V356 L359 I365 V388	L338-L362 HydrophobicContact CD2-CD1 4.36Å; L338-L362 HydrophobicContact CG-CD1 4.33Å; L338-L362 VanDerWaalsContact O-CA 3.22Å; L338-L362 WeakPolarHBondContact O-CA 3.46Å; L338-L362 PolarHBondContact O-N 3.48Å; L341-L362 HydrophobicContact CB-CD1 3.85Å; V356-L362 HydrophobicContact CG1-CD2 3.99Å; L359-L362 HydrophobicContact CB-CB 3.93Å; L359-L362 HydrophobicContact CB-CD2 4.31Å; L359-L362 HydrophobicContact CD1-CD1 4.49Å; L359-L362 HydrophobicContact CD1-CD2 3.97Å; L359-L362 WeakPolarHBondContact O-CB 3.11Å; L359-L362 PolarHBondContact O-N 2.95Å; L362-I365 HydrophobicContact CD2-CD1 3.56Å; L362-I365 HydrophobicContact CD2-CG1 3.64Å; L362-I365 HydrophobicContact CG-CG1 4.26Å; L362-V388 HydrophobicContact CD2-CG1 4.39Å; L362-V388 HydrophobicContact CD2-CG2 4.38Å; L362-V388 HydrophobicContact CG-CG1 4.38Å
363	R	95.7	Very high	95.1	Very high	149 Å²	149	41.5 Å²	41.5	56%	0.562	23%	0.227	S	C	*	.			trans	-102.6	-39.5	-177.4	-62	-172.9	-178.2	151.1	9.1	111.8	E339 N361 R389	E339-R363 HydrophobicContact CB-CG 4.43Å; E339-R363 VanDerWaalsContact CD-CZ 3.42Å; E339-R363 VanDerWaalsContact CD-NH1 3.35Å; E339-R363 PolarHBondContact O-N 3.46Å; E339-R363 IonicContact OE1-CZ 3.56Å; E339-R363 IonicContact OE1-NE 3.12Å; E339-R363 IonicContact OE1-NH1 2.66Å; E339-R363 PolarHBondContact OE1-NH1 2.8Å; E339-R363 IonicContact OE1-NH2 3.86Å; E339-R363 PolarHBondContact OE1-NH2 3.45Å; E339-R363 IonicContact OE2-CZ 2.81Å; E339-R363 IonicContact OE2-NE 3.41Å; E339-R363 IonicContact OE2-NH1 3.84Å; E339-R363 PolarHBondContact OE2-NH1 2.72Å; E339-R363 IonicContact OE2-NH2 3.99Å; N361-R363 WeakPolarHBondContact O-CG 3.28Å; N361-R363 PolarHBondContact O-N 3.37Å; R363-R389 WeakPolarHBondContact O-CB 2.98Å; R363-R389 PolarHBondContact O-N 2.9Å
364	E	96.3	Very high	95.2	Very high	52 Å²	52	36.8 Å²	36.8	24%	0.243	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	143.4	-174	62.4	-178.1	-158.6	0	0	113.8	E339 S340 L341 M342 R389	E339-E364 PolarHBondContact O-N 2.82Å; E339-E364 VanDerWaalsContact O-N 3.08Å; S340-E364 WeakPolarHBondContact CB-OE1 3.44Å; S340-E364 PolarHBondContact OG-OE1 3.46Å; L341-E364 PolarHBondContact N-O 2.82Å; M342-E364 HydrophobicContact CE-CG 4.25Å; E364-R389 VanDerWaalsContact CA-O 3.25Å; E364-R389 WeakPolarHBondContact CA-O 3.47Å; E364-R389 HydrophobicContact CB-CB 4.46Å; E364-R389 IonicContact OE2-CZ 3.43Å; E364-R389 IonicContact OE2-NE 2.88Å; E364-R389 IonicContact OE2-NH2 3.17Å; E364-R389 PolarHBondContact OE2-NH2 3.39Å
365	I	96.7	Very high	95.1	Very high	1 Å²	1	35 Å²	35	1%	0.005	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	134.5	174.2	-66.7	170	0	0	0	109.3	L341 L351 V356 L362 I367 W380 V388 R389 F390 M391	L341-I365 HydrophobicContact CB-CG1 4.23Å; L341-I365 HydrophobicContact CD2-CG1 4.43Å; L341-I365 WeakPolarHBondContact O-CA 3.43Å; L351-I365 HydrophobicContact CD2-CD1 4.33Å; V356-I365 HydrophobicContact CG1-CD1 4.43Å; V356-I365 HydrophobicContact CG2-CD1 3.86Å; L362-I365 HydrophobicContact CD2-CD1 3.56Å; L362-I365 HydrophobicContact CD2-CG1 3.64Å; L362-I365 HydrophobicContact CG-CG1 4.26Å; I365-I367 HydrophobicContact CG2-CB 4.18Å; I365-W380 HydrophobicContact CD1-CH2 4.01Å; I365-V388 HydrophobicContact CB-CG1 4.19Å; I365-V388 HydrophobicContact CD1-CG1 3.71Å; I365-V388 HydrophobicContact CG1-CG1 3.65Å; I365-R389 PolarHBondContact N-O 3.14Å; I365-F390 WeakPolarHBondContact O-CA 3.41Å; I365-M391 PolarHBondContact O-N 3.37Å
366	S	96.9	Very high	94.9	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	119	164.2	-162.6	0	0	0	0	109.6	L341 L343 N344 H368	L341-S366 PolarHBondContact O-N 2.71Å; L343-S366 CarbonylContact C-O 3.56Å; L343-S366 VanDerWaalsContact C-O 3.26Å; L343-S366 WeakPolarHBondContact CA-O 3.18Å; L343-S366 VanDerWaalsContact CB-O 3.25Å; L343-S366 WeakPolarHBondContact CB-O 3.44Å; L343-S366 PolarHBondContact N-O 3.49Å; N344-S366 WeakPolarHBondContact CB-OG 3.43Å; N344-S366 PolarHBondContact N-O 2.73Å; N344-S366 WeakPolarHBondContact OD1-CB 3.48Å; N344-S366 PolarHBondContact OD1-OG 3.19Å; S366-H368 PolarHBondContact OG-CD2 3.35Å; S366-H368 PolarHBondContact OG-NE2 3.22Å
367	I	96.4	Very high	94.8	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.194	C	C	.	.			trans	-138.2	9.9	176.8	-156.7	175.5	0	0	0	112.5	L343 L351 I365 N370 L372 M381 F390 M396	L343-I367 HydrophobicContact CB-CG1 4.43Å; L351-I367 HydrophobicContact CB-CD1 3.84Å; L351-I367 HydrophobicContact CD2-CD1 4.41Å; I365-I367 HydrophobicContact CG2-CB 4.18Å; I367-N370 PolarHBondContact O-ND2 3.05Å; I367-L372 HydrophobicContact CD1-CD2 4.11Å; I367-L372 HydrophobicContact CG1-CD2 4.3Å; I367-M381 HydrophobicContact CD1-CE 3.82Å; I367-F390 HydrophobicContact CG2-CD1 4.44Å; I367-M396 HydrophobicContact CG2-CE 3.58Å; I367-M396 HydrophobicContact CG2-SD 4.03Å
368	H	96.1	Very high	94.8	Very high	15 Å²	15	30.4 Å²	30.4	7%	0.069	17%	0.167	C	C	.	.			trans	-62.7	165.9	175.8	68.8	86.2	0	0	0	111.6	N344 N345 S366 N370 E392 M396	N344-H368 WeakPolarHBondContact CA-O 3.47Å; N344-H368 VanDerWaalsContact CB-NE2 3.32Å; N344-H368 WeakPolarHBondContact CB-NE2 3.22Å; N345-H368 PolarHBondContact N-O 2.97Å; S366-H368 PolarHBondContact OG-CD2 3.35Å; S366-H368 PolarHBondContact OG-NE2 3.22Å; H368-N370 VanDerWaalsContact C-N 3.26Å; H368-N370 PolarHBondContact O-N 3.15Å; H368-N370 PolarHBondContact O-ND2 3.29Å; H368-N370 VanDerWaalsContact O-ND2 3.15Å; H368-E392 HydrophobicContact CB-CB 4.44Å; H368-E392 IonicContact CD2-OE2 3.46Å; H368-E392 IonicContact CE1-OE2 3.52Å; H368-E392 PolarHBondContact CE1-OE2 2.87Å; H368-E392 VanDerWaalsContact CE1-OE2 3.3Å; H368-E392 IonicContact CG-OE2 3.63Å; H368-E392 IonicContact ND1-OE2 3.58Å; H368-E392 IonicContact NE2-OE2 2.77Å; H368-M396 HydrophobicContact CB-CG 4.08Å
369	S	96.6	Very high	94.5	Very high	61 Å²	61	31 Å²	31	43%	0.427	16%	0.163	S	C	.	.	S	Bend	trans	56.1	38.9	-178.8	-48.4	0	0	0	0	113.7	N345	N345-S369 WeakPolarHBondContact CA-O 3.43Å; N345-S369 WeakPolarHBondContact OD1-CB 3.17Å; N345-S369 PolarHBondContact OD1-OG 2.6Å
370	N	96.7	Very high	94.2	Very high	13 Å²	13	31.5 Å²	31.5	7%	0.07	16%	0.164	C	C	.	.	S	Bend	trans	-119.2	150.2	172.1	-82.6	-80.8	0	0	0	110	L343 N346 L348 I367 H368 L372	L343-N370 PolarHBondContact O-ND2 3.37Å; N346-N370 WeakPolarHBondContact CA-OD1 3.46Å; N346-N370 VanDerWaalsContact CB-OD1 3.23Å; N346-N370 WeakPolarHBondContact CB-OD1 3.39Å; N346-N370 PolarHBondContact N-OD1 3.22Å; N346-N370 PolarHBondContact O-OD1 2.97Å; L348-N370 HydrophobicContact CB-CB 4.4Å; L348-N370 WeakPolarHBondContact CB-OD1 3.33Å; L348-N370 PolarHBondContact N-OD1 2.84Å; I367-N370 PolarHBondContact O-ND2 3.05Å; H368-N370 VanDerWaalsContact C-N 3.26Å; H368-N370 PolarHBondContact O-N 3.15Å; H368-N370 PolarHBondContact O-ND2 3.29Å; H368-N370 VanDerWaalsContact O-ND2 3.15Å; N370-L372 HydrophobicContact CB-CD2 3.92Å; N370-L372 HydrophobicContact CB-CG 4.01Å; N370-L372 PolarHBondContact O-N 2.85Å
371	P	95.1	Very high	94	Very high	42 Å²	42	27.7 Å²	27.7	27%	0.273	14%	0.138	S	C	.	.			trans	-76.5	64.6	175.4	33.8	-36.6	0	0	0	111.5	N346 L348 N349	N346-P371 WeakPolarHBondContact O-CD 3.24Å; L348-P371 CarbonylContact O-C 3.26Å; L348-P371 WeakPolarHBondContact O-CD 3.23Å; N349-P371 PolarHBondContact ND2-O 3.45Å
372	L	94.8	Very high	93.4	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	135.2	-172.8	-62.6	174.3	0	0	0	112.3	N349 I367 N370 I378 M396 S399 M400 V409	N349-L372 CarbonylContact O-C 3.51Å; N349-L372 WeakPolarHBondContact O-CA 3.36Å; I367-L372 HydrophobicContact CD1-CD2 4.11Å; I367-L372 HydrophobicContact CG1-CD2 4.3Å; N370-L372 HydrophobicContact CB-CD2 3.92Å; N370-L372 HydrophobicContact CB-CG 4.01Å; N370-L372 PolarHBondContact O-N 2.85Å; L372-I378 HydrophobicContact CB-CD1 4.38Å; L372-M396 HydrophobicContact CD1-CE 4.2Å; L372-S399 PolarHBondContact O-N 3Å; L372-M400 PolarHBondContact O-N 3.29Å; L372-V409 HydrophobicContact CD1-CG2 3.88Å
373	R	92.6	Very high	92.2	Very high	20 Å²	20	25.7 Å²	25.7	8%	0.075	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	108.2	169.4	-174.8	172.3	69.1	151	12.5	108.4	N349 D375 I378 M400 L422 I449	N349-R373 PolarHBondContact O-N 2.87Å; R373-D375 VanDerWaalsContact C-N 3.33Å; R373-D375 WeakPolarHBondContact CD-OD2 3.48Å; R373-D375 HydrophobicContact CG-CB 4.22Å; R373-D375 IonicContact CZ-OD2 2.65Å; R373-D375 IonicContact NE-OD1 3.81Å; R373-D375 IonicContact NE-OD2 3.56Å; R373-D375 PolarHBondContact NE-OD2 3.12Å; R373-D375 IonicContact NH1-OD2 2.63Å; R373-D375 IonicContact NH2-OD2 2.73Å; R373-D375 PolarHBondContact NH2-OD2 3.38Å; R373-D375 PolarHBondContact O-N 2.01Å; R373-I378 WeakPolarHBondContact O-CD1 3.16Å; R373-I378 WeakPolarHBondContact O-CG1 3.23Å; R373-M400 CarbonylContact C-O 3.53Å; R373-M400 HydrophobicContact CB-CB 4.18Å; R373-M400 HydrophobicContact CB-CE 4.16Å; R373-M400 HydrophobicContact CG-CB 3.92Å; R373-L422 PolarHBondContact NH1-O 3.4Å; R373-I449 PolarHBondContact NH2-O 2.78Å
374	C	92.6	Very high	91	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.014	14%	0.142	C	C	.	.			trans	-83.7	75.9	-177.9	-68.7	0	0	0	0	111.7	I378 C398 M400 V404 V412 L413	C374-I378 HydrophobicContact CB-CD1 4.32Å; C374-C398 HydrophobicContact CB-CB 3.76Å; C374-C398 WeakPolarHBondContact CB-SG 3.3Å; C374-C398 WeakPolarHBondContact SG-CA 3.39Å; C374-C398 WeakPolarHBondContact SG-CB 3.46Å; C374-C398 CovalentContact SG-SG 2.01Å; C374-C398 PolarHBondContact SG-SG 3.32Å; C374-M400 PolarHBondContact N-O 2.84Å; C374-V404 HydrophobicContact CB-CG2 4.37Å; C374-V412 HydrophobicContact CB-CG1 4.08Å; C374-L413 HydrophobicContact CB-CD2 4.5Å
375	D	90.4	Very high	89.8	Confident	17 Å²	17	31.6 Å²	31.6	9%	0.091	17%	0.169	C	C	.	.	S	Bend	trans	-130.9	-156	-179.2	72.1	-3.7	0	0	0	111.6	R373 V377 Q379 C421	R373-D375 VanDerWaalsContact C-N 3.33Å; R373-D375 WeakPolarHBondContact CD-OD2 3.48Å; R373-D375 HydrophobicContact CG-CB 4.22Å; R373-D375 IonicContact CZ-OD2 2.65Å; R373-D375 IonicContact NE-OD1 3.81Å; R373-D375 IonicContact NE-OD2 3.56Å; R373-D375 PolarHBondContact NE-OD2 3.12Å; R373-D375 IonicContact NH1-OD2 2.63Å; R373-D375 IonicContact NH2-OD2 2.73Å; R373-D375 PolarHBondContact NH2-OD2 3.38Å; R373-D375 PolarHBondContact O-N 2.01Å; D375-V377 PolarHBondContact O-N 3.11Å; D375-V377 PolarHBondContact OD1-N 3.08Å; D375-Q379 PolarHBondContact O-N 3.25Å; D375-C421 HydrophobicContact CB-CB 4.42Å; D375-C421 VanDerWaalsContact CG-SG 3.54Å; D375-C421 PolarHBondContact OD2-SG 3.28Å
376	C	90.2	Very high	89.1	Confident	13 Å²	13	33.9 Å²	33.9	9%	0.088	18%	0.184	C	C	.	.	S	Bend	trans	-62.1	-25.2	-177.6	83.4	0	0	0	0	114.4	Q379 L418 Q420 C421 Q451	C376-Q379 WeakPolarHBondContact O-CB 3.23Å; C376-L418 WeakPolarHBondContact CB-O 3.44Å; C376-Q420 VanDerWaalsContact SG-C 3.54Å; C376-C421 HydrophobicContact CB-CB 3.77Å; C376-C421 WeakPolarHBondContact CB-SG 3.26Å; C376-C421 WeakPolarHBondContact SG-CB 3.16Å; C376-C421 PolarHBondContact SG-N 3.12Å; C376-C421 CovalentContact SG-SG 2.03Å; C376-C421 PolarHBondContact SG-SG 3.23Å; C376-Q451 WeakPolarHBondContact SG-CB 3.18Å
377	V	92.1	Very high	88.4	Confident	9 Å²	9	40.4 Å²	40.4	6%	0.055	22%	0.223	C	C	.	.	S	Bend	trans	-75.6	-41.1	-174.4	178.2	0	0	0	0	111.9	A350 Y352 D375 Q379 I449	A350-V377 HydrophobicContact CB-CB 4.16Å; A350-V377 HydrophobicContact CB-CG1 3.7Å; Y352-V377 HydrophobicContact CD1-CG1 3.56Å; Y352-V377 HydrophobicContact CE1-CG1 3.73Å; Y352-V377 HydrophobicContact CE1-CG2 4.27Å; Y352-V377 HydrophobicContact CG-CG1 4.11Å; D375-V377 PolarHBondContact O-N 3.11Å; D375-V377 PolarHBondContact OD1-N 3.08Å; V377-Q379 VanDerWaalsContact C-N 3.35Å; V377-I449 HydrophobicContact CB-CG2 4.21Å; V377-I449 HydrophobicContact CG1-CG2 3.97Å; V377-I449 HydrophobicContact CG2-CG2 3.78Å
378	I	92.1	Very high	88.2	Confident	0 Å²	0	41 Å²	41	0%	0	23%	0.227	C	C	.	.	S	Bend	trans	-93.8	8.9	-179.8	70.1	168	0	0	0	113.3	A350 L372 R373 C374 W380 M381 V409 L413	A350-I378 HydrophobicContact CB-CG2 3.47Å; A350-I378 VanDerWaalsContact CB-CG2 3.47Å; L372-I378 HydrophobicContact CB-CD1 4.38Å; R373-I378 WeakPolarHBondContact O-CD1 3.16Å; R373-I378 WeakPolarHBondContact O-CG1 3.23Å; C374-I378 HydrophobicContact CB-CD1 4.32Å; I378-W380 PolarHBondContact O-N 2.77Å; I378-M381 HydrophobicContact CB-CE 4.14Å; I378-M381 HydrophobicContact CB-CG 4.23Å; I378-M381 HydrophobicContact CB-SD 3.83Å; I378-M381 HydrophobicContact CD1-SD 4.43Å; I378-M381 HydrophobicContact CG2-CE 3.94Å; I378-M381 HydrophobicContact CG2-SD 4.17Å; I378-M381 VanDerWaalsContact O-CB 3.3Å; I378-M381 WeakPolarHBondContact O-CB 3.23Å; I378-M381 WeakPolarHBondContact O-CG 2.99Å; I378-M381 PolarHBondContact O-N 2.91Å; I378-V409 HydrophobicContact CD1-CG1 4.09Å; I378-L413 HydrophobicContact CD1-CD1 4.36Å; I378-L413 HydrophobicContact CG1-CD1 4.14Å; I378-L413 HydrophobicContact CG1-CD2 4.26Å; I378-L413 WeakPolarHBondContact O-CD1 3.26Å
379	Q	89.1	Confident	88.1	Confident	58 Å²	58	46.6 Å²	46.6	27%	0.271	25%	0.247	S	C	.	.	G	3₁₀ helix	trans	-51.9	-34.4	-178.1	-174.2	178.2	6.4	0	0	112.9	D375 C376 V377 M381 G382	D375-Q379 PolarHBondContact O-N 3.25Å; C376-Q379 WeakPolarHBondContact O-CB 3.23Å; V377-Q379 VanDerWaalsContact C-N 3.35Å; Q379-M381 PolarHBondContact O-N 3.44Å; Q379-G382 PolarHBondContact O-N 3.3Å; Q379-G382 VanDerWaalsContact O-N 3.15Å
380	W	89.9	Confident	88	Confident	16 Å²	16	45.1 Å²	45.1	6%	0.061	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-58.4	-31.8	177	70.6	-90.1	0	0	0	112.9	L351 Q353 V356 I365 I378 G382 S383 T386 F390	L351-W380 HydrophobicContact CB-CZ2 4.45Å; L351-W380 HydrophobicContact CD2-CZ2 4.11Å; L351-W380 HydrophobicContact CG-CZ2 4.34Å; L351-W380 PolarHBondContact O-NE1 3.22Å; Q353-W380 HydrophobicContact CB-CB 3.98Å; Q353-W380 HydrophobicContact CB-CD2 4.48Å; Q353-W380 HydrophobicContact CB-CG 3.74Å; Q353-W380 HydrophobicContact CG-CB 3.68Å; Q353-W380 HydrophobicContact CG-CD2 4.39Å; Q353-W380 HydrophobicContact CG-CG 3.79Å; V356-W380 HydrophobicContact CB-CH2 4.42Å; V356-W380 HydrophobicContact CG1-CH2 4.49Å; V356-W380 HydrophobicContact CG1-CZ3 4.42Å; V356-W380 HydrophobicContact CG2-CH2 3.64Å; V356-W380 HydrophobicContact CG2-CZ2 3.73Å; V356-W380 HydrophobicContact CG2-CZ3 4.32Å; I365-W380 HydrophobicContact CD1-CH2 4.01Å; I378-W380 PolarHBondContact O-N 2.77Å; W380-G382 PolarHBondContact O-N 3.14Å; W380-S383 VanDerWaalsContact O-CB 3.3Å; W380-S383 WeakPolarHBondContact O-CB 3.46Å; W380-S383 PolarHBondContact O-N 3.24Å; W380-S383 VanDerWaalsContact O-N 3.08Å; W380-T386 HydrophobicContact CE3-CG2 3.68Å; W380-T386 HydrophobicContact CZ3-CG2 4.19Å; W380-T386 WeakPolarHBondContact O-CG2 3.49Å; W380-F390 HydrophobicContact CE3-CZ 4.42Å; W380-F390 HydrophobicContact CH2-CE1 4.03Å; W380-F390 AromaticContact CH2-CZ 3.79Å; W380-F390 HydrophobicContact CH2-CZ 3.79Å; W380-F390 HydrophobicContact CZ3-CE1 4.29Å; W380-F390 HydrophobicContact CZ3-CE2 4.5Å; W380-F390 AromaticContact CZ3-CZ 3.59Å; W380-F390 HydrophobicContact CZ3-CZ 3.59Å
381	M	91.1	Very high	87.9	Confident	13 Å²	13	46.5 Å²	46.5	6%	0.064	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-67	-21.1	179.9	-58.1	-176.9	-179.5	0	0	113.4	L351 I367 I378 Q379 F390 M396 L413	L351-M381 HydrophobicContact CB-CE 3.72Å; I367-M381 HydrophobicContact CD1-CE 3.82Å; I378-M381 HydrophobicContact CB-CE 4.14Å; I378-M381 HydrophobicContact CB-CG 4.23Å; I378-M381 HydrophobicContact CB-SD 3.83Å; I378-M381 HydrophobicContact CD1-SD 4.43Å; I378-M381 HydrophobicContact CG2-CE 3.94Å; I378-M381 HydrophobicContact CG2-SD 4.17Å; I378-M381 VanDerWaalsContact O-CB 3.3Å; I378-M381 WeakPolarHBondContact O-CB 3.23Å; I378-M381 WeakPolarHBondContact O-CG 2.99Å; I378-M381 PolarHBondContact O-N 2.91Å; Q379-M381 PolarHBondContact O-N 3.44Å; M381-F390 HydrophobicContact CB-CE1 4.42Å; M381-F390 HydrophobicContact CB-CZ 3.87Å; M381-F390 HydrophobicContact CG-CE1 4.12Å; M381-F390 HydrophobicContact CG-CZ 3.85Å; M381-F390 HydrophobicContact SD-CE1 4.39Å; M381-M396 HydrophobicContact SD-CE 4.08Å; M381-L413 HydrophobicContact CB-CD1 4.02Å
382	G	82.1	Confident	87.8	Confident	11 Å²	11	49.8 Å²	49.8	11%	0.113	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-90.7	-10	175.1	0	0	0	0	0	114	Q379 W380	Q379-G382 PolarHBondContact O-N 3.3Å; Q379-G382 VanDerWaalsContact O-N 3.15Å; W380-G382 PolarHBondContact O-N 3.14Å
383	S	73.5	Confident	87.7	Confident	46 Å²	46	53 Å²	53	32%	0.322	27%	0.273	S	S	.	.			trans	-78	129.2	-175.2	-177.3	0	0	0	0	110.9	W380 K385 T386	W380-S383 VanDerWaalsContact O-CB 3.3Å; W380-S383 WeakPolarHBondContact O-CB 3.46Å; W380-S383 PolarHBondContact O-N 3.24Å; W380-S383 VanDerWaalsContact O-N 3.08Å; S383-K385 PolarHBondContact O-N 3.33Å; S383-K385 WeakPolarHBondContact OG-CB 3.45Å; S383-K385 PolarHBondContact OG-N 3.49Å; S383-T386 PolarHBondContact O-N 2.82Å; S383-T386 PolarHBondContact O-OG1 2.94Å
384	N	70.4	Confident	87.6	Confident	137 Å²	137	58.5 Å²	58.5	73%	0.733	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.5	0	171.6	-68.6	-20.8	0	0	0	113.4
385	K	71.6	Confident	87.7	Confident	188 Å²	188	60.4 Å²	60.4	82%	0.817	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-3.9	179.4	-59.4	-176.4	176.3	-177.7	0	113.9	S383	S383-K385 PolarHBondContact O-N 3.33Å; S383-K385 WeakPolarHBondContact OG-CB 3.45Å; S383-K385 PolarHBondContact OG-N 3.49Å
386	T	80.4	Confident	87.9	Confident	49 Å²	49	60.1 Å²	60.1	30%	0.301	31%	0.314	S	S	.	.			trans	-75.8	130.7	179.5	61.1	0	0	0	0	110.8	W380 S383 V388	W380-T386 HydrophobicContact CE3-CG2 3.68Å; W380-T386 HydrophobicContact CZ3-CG2 4.19Å; W380-T386 WeakPolarHBondContact O-CG2 3.49Å; S383-T386 PolarHBondContact O-N 2.82Å; S383-T386 PolarHBondContact O-OG1 2.94Å; T386-V388 VanDerWaalsContact C-N 3.32Å
387	T	83.3	Confident	88.2	Confident	137 Å²	137	63.8 Å²	63.8	84%	0.84	33%	0.329	S	S	*	.			trans	-81.7	-13.8	174.6	49.5	0	0	0	0	112.9
388	V	91.4	Very high	88.3	Confident	13 Å²	13	63.4 Å²	63.4	8%	0.079	33%	0.327	C	S	.	.	S	Bend	trans	-84.7	135.7	-174.8	-174.1	0	0	0	0	111.5	V356 L362 I365 T386	V356-V388 HydrophobicContact CG1-CG2 3.98Å; L362-V388 HydrophobicContact CD2-CG1 4.39Å; L362-V388 HydrophobicContact CD2-CG2 4.38Å; L362-V388 HydrophobicContact CG-CG1 4.38Å; I365-V388 HydrophobicContact CB-CG1 4.19Å; I365-V388 HydrophobicContact CD1-CG1 3.71Å; I365-V388 HydrophobicContact CG1-CG1 3.65Å; T386-V388 VanDerWaalsContact C-N 3.32Å
389	R	93.8	Very high	88.5	Confident	132 Å²	132	65.1 Å²	65.1	50%	0.498	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	121.4	175.3	-172.7	-176.3	76	88.4	-4.1	110.7	R363 E364 I365 M391	R363-R389 WeakPolarHBondContact O-CB 2.98Å; R363-R389 PolarHBondContact O-N 2.9Å; E364-R389 VanDerWaalsContact CA-O 3.25Å; E364-R389 WeakPolarHBondContact CA-O 3.47Å; E364-R389 HydrophobicContact CB-CB 4.46Å; E364-R389 IonicContact OE2-CZ 3.43Å; E364-R389 IonicContact OE2-NE 2.88Å; E364-R389 IonicContact OE2-NH2 3.17Å; E364-R389 PolarHBondContact OE2-NH2 3.39Å; I365-R389 PolarHBondContact N-O 3.14Å; R389-M391 PolarHBondContact NH2-SD 2.48Å
390	F	94.5	Very high	88.5	Confident	31 Å²	31	64.3 Å²	64.3	14%	0.136	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	131.3	169.5	-66.1	-81.9	0	0	0	110.8	I365 I367 W380 M381 P393 M396	I365-F390 WeakPolarHBondContact O-CA 3.41Å; I367-F390 HydrophobicContact CG2-CD1 4.44Å; W380-F390 HydrophobicContact CE3-CZ 4.42Å; W380-F390 HydrophobicContact CH2-CE1 4.03Å; W380-F390 AromaticContact CH2-CZ 3.79Å; W380-F390 HydrophobicContact CH2-CZ 3.79Å; W380-F390 HydrophobicContact CZ3-CE1 4.29Å; W380-F390 HydrophobicContact CZ3-CE2 4.5Å; W380-F390 AromaticContact CZ3-CZ 3.59Å; W380-F390 HydrophobicContact CZ3-CZ 3.59Å; M381-F390 HydrophobicContact CB-CE1 4.42Å; M381-F390 HydrophobicContact CB-CZ 3.87Å; M381-F390 HydrophobicContact CG-CE1 4.12Å; M381-F390 HydrophobicContact CG-CZ 3.85Å; M381-F390 HydrophobicContact SD-CE1 4.39Å; F390-P393 HydrophobicContact CB-CB 4.2Å; F390-M396 HydrophobicContact CB-SD 4.29Å; F390-M396 HydrophobicContact CD1-CE 4.25Å; F390-M396 HydrophobicContact CD1-SD 4.05Å; F390-M396 HydrophobicContact CE1-CE 4.44Å; F390-M396 HydrophobicContact CG-SD 4.32Å
391	M	94.9	Very high	88.5	Confident	41 Å²	41	65.9 Å²	65.9	20%	0.202	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	135.6	170.7	-59.4	-144.2	-63.3	0	0	110.3	M342 I365 R389	M342-M391 HydrophobicContact CE-CE 3.49Å; M342-M391 VanDerWaalsContact CE-CE 3.49Å; M342-M391 HydrophobicContact SD-CE 3.12Å; M342-M391 WeakPolarHBondContact SD-CE 3.13Å; I365-M391 PolarHBondContact O-N 3.37Å; R389-M391 PolarHBondContact NH2-SD 2.48Å
392	E	93.4	Very high	88.5	Confident	112 Å²	112	70.1 Å²	70.1	52%	0.523	38%	0.376	S	S	.	.	S	Bend	trans	46.4	55.2	-175.3	-54.3	-167.3	170.4	0	0	114.3	H368 L394 S395	H368-E392 HydrophobicContact CB-CB 4.44Å; H368-E392 IonicContact CD2-OE2 3.46Å; H368-E392 IonicContact CE1-OE2 3.52Å; H368-E392 PolarHBondContact CE1-OE2 2.87Å; H368-E392 VanDerWaalsContact CE1-OE2 3.3Å; H368-E392 IonicContact CG-OE2 3.63Å; H368-E392 IonicContact ND1-OE2 3.58Å; H368-E392 IonicContact NE2-OE2 2.77Å; E392-L394 PolarHBondContact O-N 2.91Å; E392-L394 VanDerWaalsContact O-N 3.08Å; E392-S395 WeakPolarHBondContact O-CB 3.48Å; E392-S395 PolarHBondContact O-N 3.06Å
393	P	91.6	Very high	88.9	Confident	68 Å²	68	76.8 Å²	76.8	44%	0.442	41%	0.405	S	S	.	.	G	3₁₀ helix	trans	-63.5	-22	-175.3	26.8	-35.2	0	0	0	113.4	F390 S395 M396	F390-P393 HydrophobicContact CB-CB 4.2Å; P393-S395 PolarHBondContact O-N 3.35Å; P393-M396 WeakPolarHBondContact O-CB 3.03Å; P393-M396 PolarHBondContact O-N 3.43Å
394	L	91.6	Very high	89.7	Confident	136 Å²	136	76 Å²	76	71%	0.712	40%	0.397	S	S	*	.	G	3₁₀ helix	trans	-71.6	-20.5	174.5	-60.8	177.6	0	0	0	112.4	E392 M396 F397 H408	E392-L394 PolarHBondContact O-N 2.91Å; E392-L394 VanDerWaalsContact O-N 3.08Å; L394-M396 VanDerWaalsContact C-N 3.29Å; L394-F397 WeakPolarHBondContact O-CZ 3.5Å; L394-H408 PolarHBondContact O-CE1 3.29Å; L394-H408 PolarHBondContact O-ND1 3.01Å
395	S	95	Very high	90.9	Very high	42 Å²	42	78.3 Å²	78.3	29%	0.294	40%	0.396	S	S	.	.	G	3₁₀ helix	trans	-89.8	7.5	177.1	-56.8	0	0	0	0	112.6	E392 P393 F397	E392-S395 WeakPolarHBondContact O-CB 3.48Å; E392-S395 PolarHBondContact O-N 3.06Å; P393-S395 PolarHBondContact O-N 3.35Å; S395-F397 WeakPolarHBondContact O-CD2 3.4Å
396	M	94.9	Very high	92	Very high	10 Å²	10	71.8 Å²	71.8	5%	0.049	38%	0.383	C	S	.	.			trans	-94.8	110.4	177.3	-65	176.7	58.8	0	0	110.9	I367 H368 L372 M381 F390 P393 L394 V409	I367-M396 HydrophobicContact CG2-CE 3.58Å; I367-M396 HydrophobicContact CG2-SD 4.03Å; H368-M396 HydrophobicContact CB-CG 4.08Å; L372-M396 HydrophobicContact CD1-CE 4.2Å; M381-M396 HydrophobicContact SD-CE 4.08Å; F390-M396 HydrophobicContact CB-SD 4.29Å; F390-M396 HydrophobicContact CD1-CE 4.25Å; F390-M396 HydrophobicContact CD1-SD 4.05Å; F390-M396 HydrophobicContact CE1-CE 4.44Å; F390-M396 HydrophobicContact CG-SD 4.32Å; P393-M396 WeakPolarHBondContact O-CB 3.03Å; P393-M396 PolarHBondContact O-N 3.43Å; L394-M396 VanDerWaalsContact C-N 3.29Å; M396-V409 HydrophobicContact CB-CB 4.22Å; M396-V409 HydrophobicContact CB-CG2 3.89Å; M396-V409 HydrophobicContact CE-CB 4.4Å; M396-V409 HydrophobicContact CE-CG1 4.27Å; M396-V409 HydrophobicContact CE-CG2 4.44Å; M396-V409 PolarHBondContact O-N 3.23Å; M396-V409 VanDerWaalsContact O-N 3.12Å
397	F	95.6	Very high	92.6	Very high	90 Å²	90	73 Å²	73	40%	0.395	39%	0.385	S	S	.	.	B	Isolated β-bridge	trans	-121	145	-178.8	-59.1	-83.6	0	0	0	111.9	L394 S395 G406 M407 H408	L394-F397 WeakPolarHBondContact O-CZ 3.5Å; S395-F397 WeakPolarHBondContact O-CD2 3.4Å; F397-G406 WeakPolarHBondContact CD1-O 3.37Å; F397-M407 WeakPolarHBondContact CA-O 3.31Å; F397-H408 AromaticContact CD1-ND1 3.91Å; F397-H408 AromaticContact CE1-CE1 3.17Å; F397-H408 WeakPolarHBondContact CE1-CE1 3.5Å; F397-H408 AromaticContact CE1-ND1 3.46Å; F397-H408 WeakPolarHBondContact CE1-ND1 3.11Å; F397-H408 AromaticContact CE1-NE2 3.72Å; F397-H408 AromaticContact CZ-CE1 3.54Å
398	C	95.1	Very high	93.1	Very high	2 Å²	2	69.2 Å²	69.2	1%	0.014	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	129.1	172.2	-59	0	0	0	0	110.2	C374 V404 R405 G406 M407	C374-C398 HydrophobicContact CB-CB 3.76Å; C374-C398 WeakPolarHBondContact CB-SG 3.3Å; C374-C398 WeakPolarHBondContact SG-CA 3.39Å; C374-C398 WeakPolarHBondContact SG-CB 3.46Å; C374-C398 CovalentContact SG-SG 2.01Å; C374-C398 PolarHBondContact SG-SG 3.32Å; C398-V404 HydrophobicContact CB-CG2 4.09Å; C398-V404 WeakPolarHBondContact CB-O 3.43Å; C398-R405 CarbonylContact O-C 3.14Å; C398-R405 WeakPolarHBondContact O-CA 3.4Å; C398-G406 PolarHBondContact O-N 3.11Å; C398-M407 PolarHBondContact N-O 3.23Å
399	S	94.9	Very high	93.2	Very high	36 Å²	36	68.8 Å²	68.8	25%	0.252	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	-33.2	169.4	-173.5	0	0	0	0	111.6	L372 R405	L372-S399 PolarHBondContact O-N 3Å; S399-R405 WeakPolarHBondContact O-CG 3.45Å
400	M	89.9	Confident	92.9	Very high	40 Å²	40	69.7 Å²	69.7	20%	0.197	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	157.1	179.9	-71.1	178.6	-76.2	0	0	110.7	N349 L372 R373 C374 L424	N349-M400 WeakPolarHBondContact ND2-CE 3.18Å; L372-M400 PolarHBondContact O-N 3.29Å; R373-M400 CarbonylContact C-O 3.53Å; R373-M400 HydrophobicContact CB-CB 4.18Å; R373-M400 HydrophobicContact CB-CE 4.16Å; R373-M400 HydrophobicContact CG-CB 3.92Å; C374-M400 PolarHBondContact N-O 2.84Å; M400-L424 HydrophobicContact CE-CD2 3.71Å; M400-L424 HydrophobicContact SD-CD2 4.2Å
401	P	89.6	Confident	92.6	Very high	50 Å²	50	73.3 Å²	73.3	33%	0.325	38%	0.376	S	S	.	.	S	Bend	cis	-71.3	168.5	-8.8	36	-41	0	0	0	112	E403 V404 R405	P401-E403 WeakPolarHBondContact CB-OE2 3.49Å; P401-E403 WeakPolarHBondContact CG-OE2 3Å; P401-E403 PolarHBondContact O-N 3.17Å; P401-V404 HydrophobicContact CG-CG2 4.04Å; P401-V404 WeakPolarHBondContact O-CG2 3.42Å; P401-V404 PolarHBondContact O-N 2.79Å; P401-V404 VanDerWaalsContact O-N 3.14Å; P401-R405 PolarHBondContact O-N 2.82Å
402	P	90.2	Very high	92.4	Very high	102 Å²	102	71.9 Å²	71.9	66%	0.662	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-55.5	-27.5	-171.5	-27	35.8	0	0	0	114.9	V404 R405	P402-V404 VanDerWaalsContact C-N 3.27Å; P402-V404 PolarHBondContact O-N 2.83Å; P402-R405 PolarHBondContact O-N 3.29Å
403	E	90.4	Very high	92	Very high	151 Å²	151	67.1 Å²	67.1	71%	0.706	35%	0.348	S	S	*	.	G	3₁₀ helix	trans	-67.3	-26.4	-177.7	-56.1	74.3	-160.7	0	0	112.8	P401	P401-E403 WeakPolarHBondContact CB-OE2 3.49Å; P401-E403 WeakPolarHBondContact CG-OE2 3Å; P401-E403 PolarHBondContact O-N 3.17Å
404	V	91.8	Very high	91.4	Very high	28 Å²	28	70.1 Å²	70.1	17%	0.17	36%	0.356	C	S	.	.	G	3₁₀ helix	trans	-117	12.9	-178	-61.3	0	0	0	0	112.5	C374 C398 P401 P402 G406 M407 V412	C374-V404 HydrophobicContact CB-CG2 4.37Å; C398-V404 HydrophobicContact CB-CG2 4.09Å; C398-V404 WeakPolarHBondContact CB-O 3.43Å; P401-V404 HydrophobicContact CG-CG2 4.04Å; P401-V404 WeakPolarHBondContact O-CG2 3.42Å; P401-V404 PolarHBondContact O-N 2.79Å; P401-V404 VanDerWaalsContact O-N 3.14Å; P402-V404 VanDerWaalsContact C-N 3.27Å; P402-V404 PolarHBondContact O-N 2.83Å; V404-G406 PolarHBondContact O-N 3.34Å; V404-M407 HydrophobicContact CB-SD 4.07Å; V404-M407 HydrophobicContact CG1-SD 4.16Å; V404-M407 VanDerWaalsContact O-CB 3.31Å; V404-M407 WeakPolarHBondContact O-CB 3.49Å; V404-M407 WeakPolarHBondContact O-CG 3.27Å; V404-M407 PolarHBondContact O-N 3.18Å; V404-M407 VanDerWaalsContact O-N 3.08Å; V404-V412 HydrophobicContact CB-CG1 4.23Å; V404-V412 HydrophobicContact CB-CG2 3.95Å; V404-V412 HydrophobicContact CG1-CG1 4.01Å; V404-V412 HydrophobicContact CG1-CG2 4.18Å; V404-V412 HydrophobicContact CG2-CG1 4.26Å
405	R	94.8	Very high	90.5	Very high	186 Å²	186	70.7 Å²	70.7	70%	0.702	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.6	129.4	-178.7	-176.3	174.2	179.7	176.9	1.6	111	C398 S399 P401 P402 M407	C398-R405 CarbonylContact O-C 3.14Å; C398-R405 WeakPolarHBondContact O-CA 3.4Å; S399-R405 WeakPolarHBondContact O-CG 3.45Å; P401-R405 PolarHBondContact O-N 2.82Å; P402-R405 PolarHBondContact O-N 3.29Å; R405-M407 VanDerWaalsContact C-N 3.28Å; R405-M407 PolarHBondContact O-N 3.16Å
406	G	94	Very high	89.1	Confident	52 Å²	52	80.8 Å²	80.8	54%	0.536	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.3	-4.4	-177.7	0	0	0	0	0	114.8	F397 C398 V404	F397-G406 WeakPolarHBondContact CD1-O 3.37Å; C398-G406 PolarHBondContact O-N 3.11Å; V404-G406 PolarHBondContact O-N 3.34Å
407	M	94.3	Very high	87.7	Confident	73 Å²	73	82.7 Å²	82.7	36%	0.36	40%	0.395	S	S	.	.	S	Bend	trans	-79.5	153.9	175.6	-58.7	-173.6	71.8	0	0	111.4	F397 C398 V404 R405 V412	F397-M407 WeakPolarHBondContact CA-O 3.31Å; C398-M407 PolarHBondContact N-O 3.23Å; V404-M407 HydrophobicContact CB-SD 4.07Å; V404-M407 HydrophobicContact CG1-SD 4.16Å; V404-M407 VanDerWaalsContact O-CB 3.31Å; V404-M407 WeakPolarHBondContact O-CB 3.49Å; V404-M407 WeakPolarHBondContact O-CG 3.27Å; V404-M407 PolarHBondContact O-N 3.18Å; V404-M407 VanDerWaalsContact O-N 3.08Å; R405-M407 VanDerWaalsContact C-N 3.28Å; R405-M407 PolarHBondContact O-N 3.16Å; M407-V412 HydrophobicContact CB-CG2 3.67Å; M407-V412 HydrophobicContact SD-CG2 4.31Å
408	H	93.8	Very high	86.6	Confident	59 Å²	59	85.2 Å²	85.2	27%	0.273	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-68.6	134.9	176.5	-71.8	-75.3	0	0	0	111.4	L394 F397 R410 E411 V412	L394-H408 PolarHBondContact O-CE1 3.29Å; L394-H408 PolarHBondContact O-ND1 3.01Å; F397-H408 AromaticContact CD1-ND1 3.91Å; F397-H408 AromaticContact CE1-CE1 3.17Å; F397-H408 WeakPolarHBondContact CE1-CE1 3.5Å; F397-H408 AromaticContact CE1-ND1 3.46Å; F397-H408 WeakPolarHBondContact CE1-ND1 3.11Å; F397-H408 AromaticContact CE1-NE2 3.72Å; F397-H408 AromaticContact CZ-CE1 3.54Å; H408-R410 VanDerWaalsContact C-N 3.29Å; H408-R410 PolarHBondContact O-N 3.29Å; H408-E411 HydrophobicContact CB-CB 4.44Å; H408-E411 HydrophobicContact CB-CG 4.03Å; H408-E411 IonicContact CD2-OE1 2.79Å; H408-E411 PolarHBondContact O-N 3.42Å; H408-E411 VanDerWaalsContact O-N 3.11Å; H408-V412 PolarHBondContact O-N 3.11Å
409	V	93	Very high	86	Confident	3 Å²	3	90.9 Å²	90.9	2%	0.018	44%	0.442	C	S	.	.	H	α-helix	trans	-53.5	-46.5	-177.8	173.8	0	0	0	0	111.5	L372 I378 M396 E411 V412 L413	L372-V409 HydrophobicContact CD1-CG2 3.88Å; I378-V409 HydrophobicContact CD1-CG1 4.09Å; M396-V409 HydrophobicContact CB-CB 4.22Å; M396-V409 HydrophobicContact CB-CG2 3.89Å; M396-V409 HydrophobicContact CE-CB 4.4Å; M396-V409 HydrophobicContact CE-CG1 4.27Å; M396-V409 HydrophobicContact CE-CG2 4.44Å; M396-V409 PolarHBondContact O-N 3.23Å; M396-V409 VanDerWaalsContact O-N 3.12Å; V409-E411 VanDerWaalsContact C-N 3.31Å; V409-E411 PolarHBondContact O-N 3.3Å; V409-V412 PolarHBondContact O-N 2.95Å; V409-L413 HydrophobicContact CG1-CD1 3.49Å; V409-L413 VanDerWaalsContact CG1-CD1 3.49Å; V409-L413 HydrophobicContact CG1-CG 4.03Å; V409-L413 WeakPolarHBondContact O-CB 3.34Å; V409-L413 VanDerWaalsContact O-CG 3.28Å; V409-L413 WeakPolarHBondContact O-CG 3.46Å; V409-L413 PolarHBondContact O-N 2.91Å
410	R	88.6	Confident	85.8	Confident	152 Å²	152	94 Å²	94	57%	0.574	45%	0.452	S	S	*	.	H	α-helix	trans	-63.3	-34.6	-177.1	-166.2	173.5	-173	178.1	1.6	113.3	H408 Q414	H408-R410 VanDerWaalsContact C-N 3.29Å; H408-R410 PolarHBondContact O-N 3.29Å; R410-Q414 VanDerWaalsContact O-CG 3.28Å; R410-Q414 WeakPolarHBondContact O-CG 3.46Å; R410-Q414 PolarHBondContact O-N 3.02Å
411	E	88.4	Confident	85.8	Confident	106 Å²	106	92.9 Å²	92.9	50%	0.495	45%	0.448	S	S	.	.	H	α-helix	trans	-73.1	-37.6	179.8	-64.1	179.2	173.4	0	0	111.9	H408 V409	H408-E411 HydrophobicContact CB-CB 4.44Å; H408-E411 HydrophobicContact CB-CG 4.03Å; H408-E411 IonicContact CD2-OE1 2.79Å; H408-E411 PolarHBondContact O-N 3.42Å; H408-E411 VanDerWaalsContact O-N 3.11Å; V409-E411 VanDerWaalsContact C-N 3.31Å; V409-E411 PolarHBondContact O-N 3.3Å
412	V	89.3	Confident	85.8	Confident	11 Å²	11	95 Å²	95	7%	0.067	46%	0.456	C	S	.	.	H	α-helix	trans	-70.4	-48	178.8	176.3	0	0	0	0	110.5	C374 V404 M407 H408 V409 Q414 K415	C374-V412 HydrophobicContact CB-CG1 4.08Å; V404-V412 HydrophobicContact CB-CG1 4.23Å; V404-V412 HydrophobicContact CB-CG2 3.95Å; V404-V412 HydrophobicContact CG1-CG1 4.01Å; V404-V412 HydrophobicContact CG1-CG2 4.18Å; V404-V412 HydrophobicContact CG2-CG1 4.26Å; M407-V412 HydrophobicContact CB-CG2 3.67Å; M407-V412 HydrophobicContact SD-CG2 4.31Å; H408-V412 PolarHBondContact O-N 3.11Å; V409-V412 PolarHBondContact O-N 2.95Å; V412-Q414 VanDerWaalsContact C-N 3.26Å; V412-Q414 PolarHBondContact O-N 2.83Å; V412-K415 WeakPolarHBondContact O-CB 3.38Å; V412-K415 PolarHBondContact O-N 2.75Å; V412-K415 VanDerWaalsContact O-N 3.12Å
413	L	85.8	Confident	85.8	Confident	13 Å²	13	90.5 Å²	90.5	7%	0.068	43%	0.427	C	S	.	.	H	α-helix	trans	-73.3	-13.6	-174.1	-61.8	-176.6	0	0	0	114.3	C374 I378 M381 V409 K415 L417	C374-L413 HydrophobicContact CB-CD2 4.5Å; I378-L413 HydrophobicContact CD1-CD1 4.36Å; I378-L413 HydrophobicContact CG1-CD1 4.14Å; I378-L413 HydrophobicContact CG1-CD2 4.26Å; I378-L413 WeakPolarHBondContact O-CD1 3.26Å; M381-L413 HydrophobicContact CB-CD1 4.02Å; V409-L413 HydrophobicContact CG1-CD1 3.49Å; V409-L413 VanDerWaalsContact CG1-CD1 3.49Å; V409-L413 HydrophobicContact CG1-CG 4.03Å; V409-L413 WeakPolarHBondContact O-CB 3.34Å; V409-L413 VanDerWaalsContact O-CG 3.28Å; V409-L413 WeakPolarHBondContact O-CG 3.46Å; V409-L413 PolarHBondContact O-N 2.91Å; L413-K415 PolarHBondContact O-N 2.96Å; L413-L417 HydrophobicContact CD2-CD1 3.33Å
414	Q	79.1	Confident	85.8	Confident	131 Å²	131	84.4 Å²	84.4	61%	0.612	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.5	169.9	-82.7	175.7	4.7	0	0	112.6	R410 V412	R410-Q414 VanDerWaalsContact O-CG 3.28Å; R410-Q414 WeakPolarHBondContact O-CG 3.46Å; R410-Q414 PolarHBondContact O-N 3.02Å; V412-Q414 VanDerWaalsContact C-N 3.26Å; V412-Q414 PolarHBondContact O-N 2.83Å
415	K	73.3	Confident	85.7	Confident	148 Å²	148	83.1 Å²	83.1	64%	0.643	39%	0.391	S	S	*	.	S	Bend	trans	-82.3	133	173.2	-60.3	178.3	-176.7	175.3	0	108	V412 L413 L417	V412-K415 WeakPolarHBondContact O-CB 3.38Å; V412-K415 PolarHBondContact O-N 2.75Å; V412-K415 VanDerWaalsContact O-N 3.12Å; L413-K415 PolarHBondContact O-N 2.96Å; K415-L417 PolarHBondContact O-N 3.35Å
416	R	63.7	Low	85.3	Confident	253 Å²	253	74.2 Å²	74.2	96%	0.955	36%	0.358	S	S	*	.			trans	-62	98.7	-173.6	-165.8	177.6	-173.4	177.4	1	110.7
417	L	66.4	Low	84.4	Confident	51 Å²	51	75.5 Å²	75.5	27%	0.267	35%	0.35	S	S	.	.			trans	-79	156.4	171.8	-76.1	150.2	0	0	0	110.7	L413 K415	L413-L417 HydrophobicContact CD2-CD1 3.33Å; K415-L417 PolarHBondContact O-N 3.35Å
418	L	71.8	Confident	83.4	Confident	143 Å²	143	77 Å²	77	75%	0.749	36%	0.359	S	S	*	.			trans	-66.4	144.2	173.6	-69.6	159.8	0	0	0	110.1	C376 Q420	C376-L418 WeakPolarHBondContact CB-O 3.44Å; L418-Q420 PolarHBondContact O-N 3.36Å
419	N	83.9	Confident	82.4	Confident	121 Å²	121	74.3 Å²	74.3	65%	0.647	35%	0.347	S	S	*	.	S	Bend	trans	-78.3	-5.2	-179.5	-66.7	-9.1	0	0	0	113.5	Q451	N419-Q451 WeakPolarHBondContact O-CG 3.23Å
420	Q	89.8	Confident	82	Confident	100 Å²	100	75.3 Å²	75.3	47%	0.467	35%	0.351	S	S	.	.			trans	-129.2	145.2	-178.8	-65	172.4	-26.3	0	0	108.3	C376 L418 Q451 E504	C376-Q420 VanDerWaalsContact SG-C 3.54Å; L418-Q420 PolarHBondContact O-N 3.36Å; Q420-Q451 CarbonylContact C-O 3.56Å; Q420-Q451 VanDerWaalsContact CA-O 3.25Å; Q420-Q451 WeakPolarHBondContact CA-O 3.42Å; Q420-E504 HydrophobicContact CB-CG 3.86Å; Q420-E504 PolarHBondContact OE1-OE1 3.31Å
421	C	89.8	Confident	81.8	Confident	18 Å²	18	71.4 Å²	71.4	12%	0.122	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.2	156.5	-179.3	56.2	0	0	0	0	112.6	D375 C376 Q451 N502	D375-C421 HydrophobicContact CB-CB 4.42Å; D375-C421 VanDerWaalsContact CG-SG 3.54Å; D375-C421 PolarHBondContact OD2-SG 3.28Å; C376-C421 HydrophobicContact CB-CB 3.77Å; C376-C421 WeakPolarHBondContact CB-SG 3.26Å; C376-C421 WeakPolarHBondContact SG-CB 3.16Å; C376-C421 PolarHBondContact SG-N 3.12Å; C376-C421 CovalentContact SG-SG 2.03Å; C376-C421 PolarHBondContact SG-SG 3.23Å; C421-Q451 PolarHBondContact N-O 2.86Å; C421-N502 PolarHBondContact O-ND2 2.92Å
422	L	88.9	Confident	81.6	Confident	94 Å²	94	70.9 Å²	70.9	49%	0.492	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.5	147.8	-179.8	-71.1	166.7	0	0	0	112	R373 E504 G505	R373-L422 PolarHBondContact NH1-O 3.4Å; L422-E504 VanDerWaalsContact CD2-C 3.45Å; L422-E504 HydrophobicContact CD2-CB 4.06Å; L422-E504 WeakPolarHBondContact CD2-O 3.35Å; L422-E504 HydrophobicContact CG-CB 4.48Å; L422-G505 VanDerWaalsContact CD2-CA 3.49Å
423	P	91	Very high	81.4	Confident	7 Å²	7	75.8 Å²	75.8	5%	0.045	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	147.1	172	28.9	-32.1	0	0	0	111.6	I449 P454 A500 N502 D507	P423-I449 WeakPolarHBondContact CA-O 3.29Å; P423-P454 HydrophobicContact CB-CB 4.1Å; P423-A500 HydrophobicContact CB-CB 4.03Å; P423-A500 WeakPolarHBondContact CG-O 3.42Å; P423-N502 WeakPolarHBondContact CD-OD1 3.42Å; P423-D507 HydrophobicContact CB-CB 4.46Å; P423-D507 HydrophobicContact CG-CB 4.25Å; P423-D507 VanDerWaalsContact O-CB 3.27Å; P423-D507 WeakPolarHBondContact O-CB 3.38Å
424	L	89.8	Confident	81.6	Confident	24 Å²	24	76.8 Å²	76.8	13%	0.126	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	119.2	169	171.3	71.4	0	0	0	108.5	N349 M400 A448 I449 D507	N349-L424 HydrophobicContact CB-CD2 4.38Å; M400-L424 HydrophobicContact CE-CD2 3.71Å; M400-L424 HydrophobicContact SD-CD2 4.2Å; L424-A448 CarbonylContact O-C 3.54Å; L424-A448 VanDerWaalsContact O-CA 3.23Å; L424-A448 WeakPolarHBondContact O-CA 3.42Å; L424-I449 PolarHBondContact N-O 2.85Å; L424-I449 PolarHBondContact O-N 3.29Å; L424-D507 WeakPolarHBondContact CA-OD2 3.48Å
425	I	89.5	Confident	82.1	Confident	0 Å²	0	75 Å²	75	0%	0	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	125.4	170	-59.4	170.7	0	0	0	107.9	R447 A448 C498 A500 D507 K509	I425-R447 WeakPolarHBondContact CA-O 3.31Å; I425-A448 HydrophobicContact CG1-CB 4.18Å; I425-C498 HydrophobicContact CD1-CB 4.34Å; I425-A500 HydrophobicContact CD1-CB 4.21Å; I425-A500 HydrophobicContact CG1-CB 3.83Å; I425-D507 HydrophobicContact CG1-CB 4.44Å; I425-D507 PolarHBondContact N-OD2 3.24Å; I425-K509 HydrophobicContact CB-CD 4.08Å; I425-K509 HydrophobicContact CB-CG 4.13Å; I425-K509 HydrophobicContact CD1-CB 4.18Å; I425-K509 HydrophobicContact CD1-CG 4.24Å; I425-K509 HydrophobicContact CG2-CB 4.35Å; I425-K509 HydrophobicContact CG2-CD 3.76Å; I425-K509 HydrophobicContact CG2-CG 4.1Å; I425-K509 WeakPolarHBondContact O-CE 3.45Å; I425-K509 PolarHBondContact O-NZ 2.9Å; I425-K509 VanDerWaalsContact O-NZ 3.07Å
426	S	87.4	Confident	83	Confident	0 Å²	0	69 Å²	69	0%	0	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-53.8	148.8	-175.1	-168.6	0	0	0	0	112.1	S325 T429 R447 K509	S325-S426 WeakPolarHBondContact CB-OG 3.41Å; S325-S426 PolarHBondContact O-OG 2.86Å; S325-S426 PolarHBondContact OG-OG 3.18Å; S426-T429 WeakPolarHBondContact CB-OG1 3.48Å; S426-T429 PolarHBondContact O-OG1 3.05Å; S426-R447 PolarHBondContact N-O 2.75Å; S426-K509 PolarHBondContact O-NZ 3.04Å
427	H	75.1	Confident	84.3	Confident	78 Å²	78	63.7 Å²	63.7	36%	0.361	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	141.7	176.9	-62.2	79.7	0	0	0	109.3	S325 N349 T429	S325-H427 PolarHBondContact OG-O 3.27Å; N349-H427 PolarHBondContact OD1-ND1 3.12Å; H427-T429 PolarHBondContact O-N 2.89Å; H427-T429 VanDerWaalsContact O-N 3.16Å
428	N	73.1	Confident	85.5	Confident	104 Å²	104	65.1 Å²	65.1	56%	0.556	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	20.3	179.6	-52.8	-33.4	0	0	0	116.2	F430	N428-F430 PolarHBondContact O-N 3.13Å
429	T	73.8	Confident	86.4	Confident	4 Å²	4	60.3 Å²	60.3	3%	0.025	33%	0.332	C	S	.	.	S	Bend	trans	-60.9	-33.1	175.4	-34.7	0	0	0	0	112.3	V300 S426 H427 D445 R447	V300-T429 HydrophobicContact CG1-CG2 4.48Å; S426-T429 WeakPolarHBondContact CB-OG1 3.48Å; S426-T429 PolarHBondContact O-OG1 3.05Å; H427-T429 PolarHBondContact O-N 2.89Å; H427-T429 VanDerWaalsContact O-N 3.16Å; T429-D445 WeakPolarHBondContact CB-O 2.99Å; T429-D445 HydrophobicContact CG2-CB 4.24Å; T429-D445 WeakPolarHBondContact CG2-O 3.41Å; T429-R447 HydrophobicContact CG2-CB 3.85Å; T429-R447 HydrophobicContact CG2-CG 3.7Å
430	F	83.4	Confident	86.8	Confident	23 Å²	23	58.8 Å²	58.8	10%	0.101	32%	0.322	C	S	.	.	S	Bend	trans	-148	152.9	168.9	47.7	-94.7	0	0	0	110.1	N428 L444 D445 C446 W458 C498 K509 T511	N428-F430 PolarHBondContact O-N 3.13Å; F430-L444 HydrophobicContact CB-CD2 4.14Å; F430-D445 VanDerWaalsContact CD1-O 3.22Å; F430-D445 WeakPolarHBondContact CD1-O 3.36Å; F430-C446 HydrophobicContact CE1-CB 4.18Å; F430-W458 AromaticContact CD1-CH2 3.98Å; F430-W458 HydrophobicContact CD1-CH2 3.98Å; F430-W458 HydrophobicContact CD1-CZ2 4.3Å; F430-W458 AromaticContact CE1-CH2 3.56Å; F430-W458 HydrophobicContact CE1-CH2 3.56Å; F430-W458 AromaticContact CE1-CZ2 3.9Å; F430-W458 HydrophobicContact CE1-CZ2 3.9Å; F430-W458 HydrophobicContact CE2-CH2 4.22Å; F430-W458 HydrophobicContact CG-CH2 4.47Å; F430-W458 AromaticContact CZ-CH2 3.67Å; F430-W458 HydrophobicContact CZ-CH2 3.67Å; F430-W458 HydrophobicContact CZ-CZ2 4.41Å; F430-W458 HydrophobicContact CZ-CZ3 4.33Å; F430-C498 HydrophobicContact CE1-CB 4.07Å; F430-C498 HydrophobicContact CZ-CB 3.95Å; F430-K509 HydrophobicContact CE2-CB 4.02Å; F430-K509 HydrophobicContact CZ-CB 3.58Å; F430-T511 HydrophobicContact CD2-CG2 4.2Å; F430-T511 HydrophobicContact CE2-CG2 4.33Å
431	P	84.9	Confident	87	Confident	71 Å²	71	57.9 Å²	57.9	46%	0.461	32%	0.323	S	S	.	.			trans	-67.5	150.2	175.1	26	-32.9	0	0	0	112	H433 L434 T511	P431-H433 VanDerWaalsContact C-N 3.28Å; P431-H433 PolarHBondContact O-N 3.35Å; P431-L434 HydrophobicContact CB-CD2 4.5Å; P431-L434 HydrophobicContact CG-CD1 4.1Å; P431-L434 HydrophobicContact CG-CD2 3.41Å; P431-L434 VanDerWaalsContact CG-CD2 3.41Å; P431-L434 HydrophobicContact CG-CG 3.69Å; P431-T511 WeakPolarHBondContact O-CB 3.05Å; P431-T511 PolarHBondContact O-OG1 2.95Å
432	T	83.5	Confident	87.1	Confident	95 Å²	95	58 Å²	58	58%	0.583	32%	0.322	S	S	*	.	S	Bend	trans	-70	-25	-179.9	51	0	0	0	0	113.3	T511 A512	T432-T511 WeakPolarHBondContact O-CA 3.24Å; T432-A512 PolarHBondContact O-N 3.01Å
433	H	85.6	Confident	87.3	Confident	114 Å²	114	56.3 Å²	56.3	53%	0.528	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	133.8	178.6	-62.2	-74.7	0	0	0	109.9	P431 A512	P431-H433 VanDerWaalsContact C-N 3.28Å; P431-H433 PolarHBondContact O-N 3.35Å; H433-A512 WeakPolarHBondContact CA-O 3.39Å
434	L	89.3	Confident	87.3	Confident	33 Å²	33	56.1 Å²	56.1	17%	0.173	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	137.1	176	-76	165.1	0	0	0	109.5	P431 L442 L444 A512 K514	P431-L434 HydrophobicContact CB-CD2 4.5Å; P431-L434 HydrophobicContact CG-CD1 4.1Å; P431-L434 HydrophobicContact CG-CD2 3.41Å; P431-L434 VanDerWaalsContact CG-CD2 3.41Å; P431-L434 HydrophobicContact CG-CG 3.69Å; L434-L442 HydrophobicContact CD1-CD1 4.18Å; L434-L442 HydrophobicContact CD1-CD2 4.22Å; L434-L444 HydrophobicContact CD1-CD2 3.56Å; L434-A512 PolarHBondContact N-O 2.91Å; L434-K514 PolarHBondContact O-N 3.28Å
435	S	90.4	Very high	87.4	Confident	95 Å²	95	55.3 Å²	55.3	66%	0.664	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.1	122.6	172.8	-64.8	0	0	0	0	108.1	K514	S435-K514 WeakPolarHBondContact CA-O 3.3Å
436	L	91.6	Very high	87.6	Confident	22 Å²	22	55.3 Å²	55.3	12%	0.115	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	155.3	-172	-58.5	172.4	0	0	0	110.7	M440 L442 I488 I513 K514 V515 N516	L436-M440 HydrophobicContact CD2-SD 4.47Å; L436-L442 HydrophobicContact CD1-CB 4.12Å; L436-L442 HydrophobicContact CD1-CD1 4.02Å; L436-L442 HydrophobicContact CD1-CD2 3.65Å; L436-L442 HydrophobicContact CD1-CG 4.15Å; L436-L442 HydrophobicContact CD2-CD1 4.37Å; L436-I488 HydrophobicContact CB-CD1 4.35Å; L436-I488 HydrophobicContact CD1-CD1 3.49Å; L436-I488 VanDerWaalsContact CD1-CD1 3.49Å; L436-I488 HydrophobicContact CG-CD1 4.46Å; L436-I513 HydrophobicContact CD1-CG2 3.69Å; L436-I513 HydrophobicContact CG-CG2 4.38Å; L436-K514 PolarHBondContact N-O 3.14Å; L436-V515 CarbonylContact O-C 3.47Å; L436-V515 WeakPolarHBondContact O-CA 3.15Å; L436-N516 PolarHBondContact O-N 2.98Å
437	E	91.4	Very high	87.8	Confident	140 Å²	140	55.4 Å²	55.4	65%	0.654	31%	0.309	S	S	*	.			trans	-95.9	159	174	-64.1	-175.3	178	0	0	111.2	M440	E437-M440 HydrophobicContact CB-CG 4.23Å; E437-M440 HydrophobicContact CB-SD 3.99Å; E437-M440 WeakPolarHBondContact O-CG 3.41Å; E437-M440 PolarHBondContact O-N 2.75Å
438	I	91.8	Very high	88.6	Confident	81 Å²	81	51.8 Å²	51.8	42%	0.415	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	138.4	178.8	-60.7	169.6	0	0	0	109.1	I488 V490 V515 N516	I438-I488 CarbonylContact C-O 3.5Å; I438-I488 WeakPolarHBondContact CA-O 3.35Å; I438-V490 HydrophobicContact CD1-CG2 3.76Å; I438-V490 HydrophobicContact CG1-CG2 4.18Å; I438-V515 HydrophobicContact CG1-CG1 3.86Å; I438-N516 HydrophobicContact CD1-CB 4.43Å; I438-N516 HydrophobicContact CG1-CB 4.43Å
439	G	89.6	Confident	89.5	Confident	42 Å²	42	47 Å²	47	43%	0.433	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.8	-10.7	178.8	0	0	0	0	0	114.9	I488	G439-I488 PolarHBondContact N-O 3.46Å
440	M	92.3	Very high	90.4	Very high	90 Å²	90	46.8 Å²	46.8	44%	0.443	27%	0.265	S	S	.	.			trans	-66.4	158	176.9	-64.1	-171.6	83	0	0	112.2	L436 E437 H487 I488	L436-M440 HydrophobicContact CD2-SD 4.47Å; E437-M440 HydrophobicContact CB-CG 4.23Å; E437-M440 HydrophobicContact CB-SD 3.99Å; E437-M440 WeakPolarHBondContact O-CG 3.41Å; E437-M440 PolarHBondContact O-N 2.75Å; M440-H487 PolarHBondContact O-N 3.45Å; M440-I488 HydrophobicContact CB-CD1 4.32Å; M440-I488 WeakPolarHBondContact O-CB 3.32Å; M440-I488 WeakPolarHBondContact O-CG1 3.47Å; M440-I488 PolarHBondContact O-N 2.98Å
441	T	93.9	Very high	90.8	Very high	80 Å²	80	49.6 Å²	49.6	49%	0.491	28%	0.279	S	S	.	.			trans	-110.1	133.2	166.8	-63.4	0	0	0	0	108.5	R484 I485	T441-R484 HydrophobicContact CG2-CG 3.95Å; T441-I485 WeakPolarHBondContact CA-O 3.2Å
442	L	92.9	Very high	91.2	Very high	20 Å²	20	48.3 Å²	48.3	11%	0.105	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	135.3	-179.1	176.9	74.2	0	0	0	110.2	L434 L436 L444 R484 I485 I488 I513	L434-L442 HydrophobicContact CD1-CD1 4.18Å; L434-L442 HydrophobicContact CD1-CD2 4.22Å; L436-L442 HydrophobicContact CD1-CB 4.12Å; L436-L442 HydrophobicContact CD1-CD1 4.02Å; L436-L442 HydrophobicContact CD1-CD2 3.65Å; L436-L442 HydrophobicContact CD1-CG 4.15Å; L436-L442 HydrophobicContact CD2-CD1 4.37Å; L442-L444 HydrophobicContact CD1-CD2 4.38Å; L442-L444 HydrophobicContact CD2-CD1 3.87Å; L442-L444 HydrophobicContact CD2-CD2 3.89Å; L442-L444 HydrophobicContact CD2-CG 3.66Å; L442-L444 HydrophobicContact CG-CD2 4.22Å; L442-L444 HydrophobicContact CG-CG 3.99Å; L442-R484 CarbonylContact O-C 3.54Å; L442-R484 WeakPolarHBondContact O-CA 3.35Å; L442-I485 HydrophobicContact CD2-CD1 4.33Å; L442-I485 PolarHBondContact N-O 3Å; L442-I485 PolarHBondContact O-N 2.97Å; L442-I488 HydrophobicContact CB-CD1 3.65Å; L442-I513 HydrophobicContact CD2-CD1 3.55Å; L442-I513 HydrophobicContact CD2-CG1 4.49Å
443	D	92.2	Very high	91.6	Very high	60 Å²	60	49.3 Å²	49.3	32%	0.321	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.4	168.1	-72.2	-10.6	0	0	0	108.9	T482 L483 R484	D443-T482 HydrophobicContact CB-CG2 3.91Å; D443-L483 WeakPolarHBondContact CA-O 3.15Å; D443-R484 VanDerWaalsContact OD1-CB 3.27Å; D443-R484 WeakPolarHBondContact OD1-CB 3.45Å; D443-R484 VanDerWaalsContact OD1-CG 3.23Å; D443-R484 WeakPolarHBondContact OD1-CG 3.06Å; D443-R484 IonicContact OD1-CZ 3.78Å; D443-R484 IonicContact OD1-NE 3.67Å; D443-R484 PolarHBondContact OD1-NE 3.39Å; D443-R484 IonicContact OD1-NH2 3.06Å; D443-R484 IonicContact OD2-CZ 2.68Å; D443-R484 IonicContact OD2-NE 3.73Å; D443-R484 PolarHBondContact OD2-NE 3.46Å; D443-R484 IonicContact OD2-NH2 3.36Å; D443-R484 PolarHBondContact OD2-NH2 2.98Å
444	L	92.4	Very high	91.9	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.016	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	101.1	176	-69.4	173.3	0	0	0	109.5	F430 L434 L442 C446 W458 T482 L483 I485 T511 I513	F430-L444 HydrophobicContact CB-CD2 4.14Å; L434-L444 HydrophobicContact CD1-CD2 3.56Å; L442-L444 HydrophobicContact CD1-CD2 4.38Å; L442-L444 HydrophobicContact CD2-CD1 3.87Å; L442-L444 HydrophobicContact CD2-CD2 3.89Å; L442-L444 HydrophobicContact CD2-CG 3.66Å; L442-L444 HydrophobicContact CG-CD2 4.22Å; L442-L444 HydrophobicContact CG-CG 3.99Å; L444-C446 PolarHBondContact O-N 2.9Å; L444-W458 HydrophobicContact CB-CH2 3.76Å; L444-W458 HydrophobicContact CB-CZ2 3.73Å; L444-W458 HydrophobicContact CD1-CH2 3.98Å; L444-W458 HydrophobicContact CD1-CZ3 4.09Å; L444-W458 HydrophobicContact CG-CH2 4.43Å; L444-T482 CarbonylContact O-C 3.55Å; L444-T482 VanDerWaalsContact O-CA 3.27Å; L444-T482 WeakPolarHBondContact O-CA 3.37Å; L444-L483 HydrophobicContact CB-CB 4.4Å; L444-L483 PolarHBondContact N-O 3.26Å; L444-L483 PolarHBondContact O-N 3.42Å; L444-I485 HydrophobicContact CD1-CD1 4.44Å; L444-T511 HydrophobicContact CD1-CG2 3.76Å; L444-T511 HydrophobicContact CD2-CG2 4.22Å; L444-I513 HydrophobicContact CD1-CD1 4.13Å
445	D	91.8	Very high	92	Very high	7 Å²	7	48.1 Å²	48.1	4%	0.037	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	118.3	179.6	-71.2	-49.1	0	0	0	110	H275 K276 T429 F430 R447 T482	H275-D445 IonicContact CD2-OD2 2.76Å; H275-D445 IonicContact NE2-OD2 3.58Å; K276-D445 IonicContact NZ-OD1 4Å; K276-D445 PolarHBondContact NZ-OD1 2.76Å; K276-D445 IonicContact NZ-OD2 2.75Å; K276-D445 PolarHBondContact NZ-OD2 3.22Å; T429-D445 WeakPolarHBondContact CB-O 2.99Å; T429-D445 HydrophobicContact CG2-CB 4.24Å; T429-D445 WeakPolarHBondContact CG2-O 3.41Å; F430-D445 VanDerWaalsContact CD1-O 3.22Å; F430-D445 WeakPolarHBondContact CD1-O 3.36Å; D445-R447 IonicContact OD1-CZ 3.62Å; D445-R447 IonicContact OD1-NH1 3.77Å; D445-R447 IonicContact OD1-NH2 2.67Å; D445-R447 PolarHBondContact OD1-NH2 2.79Å; D445-T482 VanDerWaalsContact OD1-CB 3.3Å; D445-T482 WeakPolarHBondContact OD1-CB 3.27Å; D445-T482 WeakPolarHBondContact OD1-CG2 3.22Å; D445-T482 PolarHBondContact OD1-OG1 3.45Å
446	C	92.4	Very high	92.1	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.			trans	-112.1	120.4	169.3	-168.3	0	0	0	0	110.5	F430 L444 I456 W458 G481 C498	F430-C446 HydrophobicContact CE1-CB 4.18Å; L444-C446 PolarHBondContact O-N 2.9Å; C446-I456 HydrophobicContact CB-CG2 4.23Å; C446-W458 HydrophobicContact CB-CZ2 3.65Å; C446-G481 WeakPolarHBondContact CB-O 3.27Å; C446-G481 PolarHBondContact N-O 3.06Å; C446-C498 HydrophobicContact CB-CB 3.8Å; C446-C498 WeakPolarHBondContact CB-SG 3.43Å; C446-C498 WeakPolarHBondContact SG-CB 3.37Å; C446-C498 CovalentContact SG-SG 2.01Å; C446-C498 PolarHBondContact SG-SG 3Å
447	R	92	Very high	92	Very high	2 Å²	2	44.7 Å²	44.7	1%	0.008	24%	0.237	C	C	.	.			trans	-126.2	124.6	-174.9	-58.1	-62.3	-175.9	-90.1	-8.7	109	D303 Y326 I425 S426 T429 D445 E480 T482	D303-R447 IonicContact OD1-CZ 3.83Å; D303-R447 IonicContact OD1-NE 2.87Å; D303-R447 PolarHBondContact OD1-NE 2.7Å; D303-R447 IonicContact OD1-NH2 3.91Å; D303-R447 PolarHBondContact OD1-NH2 2.83Å; D303-R447 IonicContact OD2-CZ 2.91Å; D303-R447 IonicContact OD2-NH2 3.06Å; D303-R447 PolarHBondContact OD2-NH2 2.74Å; Y326-R447 HydrophobicContact CD1-CB 3.82Å; Y326-R447 HydrophobicContact CD1-CG 3.84Å; Y326-R447 HydrophobicContact CD2-CB 3.77Å; Y326-R447 HydrophobicContact CE1-CB 4.19Å; Y326-R447 HydrophobicContact CE1-CG 4.25Å; Y326-R447 HydrophobicContact CE2-CB 4.13Å; Y326-R447 HydrophobicContact CG-CB 3.58Å; Y326-R447 HydrophobicContact CG-CG 4.07Å; I425-R447 WeakPolarHBondContact CA-O 3.31Å; S426-R447 PolarHBondContact N-O 2.75Å; T429-R447 HydrophobicContact CG2-CB 3.85Å; T429-R447 HydrophobicContact CG2-CG 3.7Å; D445-R447 IonicContact OD1-CZ 3.62Å; D445-R447 IonicContact OD1-NH1 3.77Å; D445-R447 IonicContact OD1-NH2 2.67Å; D445-R447 PolarHBondContact OD1-NH2 2.79Å; R447-E480 PolarHBondContact NH1-O 3.07Å; R447-T482 PolarHBondContact NH1-OG1 3.42Å; R447-T482 PolarHBondContact NH2-OG1 3.14Å; R447-T482 VanDerWaalsContact NH2-OG1 3.14Å
448	A	91.9	Very high	92	Very high	2 Å²	2	38 Å²	38	2%	0.017	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128	147.8	-176.3	0	0	0	0	0	112.4	Y326 L424 I425 P454 I456 A500	Y326-A448 WeakPolarHBondContact CE2-O 3.36Å; L424-A448 CarbonylContact O-C 3.54Å; L424-A448 VanDerWaalsContact O-CA 3.23Å; L424-A448 WeakPolarHBondContact O-CA 3.42Å; I425-A448 HydrophobicContact CG1-CB 4.18Å; A448-P454 HydrophobicContact CB-CG 3.92Å; A448-I456 HydrophobicContact CB-CD1 4.22Å; A448-A500 HydrophobicContact CB-CB 3.56Å
449	I	91.9	Very high	91.5	Very high	2 Å²	2	34.6 Å²	34.6	1%	0.01	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	126.1	-180	-64.1	170.7	0	0	0	109.6	Y326 N349 A350 Y352 R373 V377 P423 L424	Y326-I449 HydrophobicContact CD2-CD1 4.15Å; Y326-I449 HydrophobicContact CD2-CG1 3.82Å; Y326-I449 HydrophobicContact CE2-CG1 3.87Å; N349-I449 HydrophobicContact CB-CD1 4.16Å; A350-I449 HydrophobicContact CB-CD1 4.22Å; A350-I449 HydrophobicContact CB-CG2 3.98Å; Y352-I449 WeakPolarHBondContact OH-CA 3.33Å; R373-I449 PolarHBondContact NH2-O 2.78Å; V377-I449 HydrophobicContact CB-CG2 4.21Å; V377-I449 HydrophobicContact CG1-CG2 3.97Å; V377-I449 HydrophobicContact CG2-CG2 3.78Å; P423-I449 WeakPolarHBondContact CA-O 3.29Å; L424-I449 PolarHBondContact N-O 2.85Å; L424-I449 PolarHBondContact O-N 3.29Å
450	S	92.1	Very high	91.2	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	166.5	179.3	72.8	0	0	0	0	112.6	R329 Y352 P452 P454	R329-S450 PolarHBondContact NH2-O 2.77Å; Y352-S450 PolarHBondContact OH-N 2.86Å; S450-P452 CarbonylContact C-O 3.44Å; S450-P452 WeakPolarHBondContact CB-O 3.27Å; S450-P452 PolarHBondContact OG-O 3.08Å; S450-P454 WeakPolarHBondContact OG-CD 3.49Å; S450-P454 VanDerWaalsContact OG-CG 3.26Å; S450-P454 WeakPolarHBondContact OG-CG 3.36Å
451	Q	92.3	Very high	90.4	Very high	82 Å²	82	29.3 Å²	29.3	38%	0.383	15%	0.154	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	122.5	163.7	-174.6	66	4.6	0	0	108.6	C376 N419 Q420 C421	C376-Q451 WeakPolarHBondContact SG-CB 3.18Å; N419-Q451 WeakPolarHBondContact O-CG 3.23Å; Q420-Q451 CarbonylContact C-O 3.56Å; Q420-Q451 VanDerWaalsContact CA-O 3.25Å; Q420-Q451 WeakPolarHBondContact CA-O 3.42Å; C421-Q451 PolarHBondContact N-O 2.86Å
452	P	93.3	Very high	89.2	Confident	45 Å²	45	31.8 Å²	31.8	29%	0.292	16%	0.161	S	C	.	.	S	Bend	cis	-62	167.6	-5	-19.6	33.8	0	0	0	113.2	S450 N502	S450-P452 CarbonylContact C-O 3.44Å; S450-P452 WeakPolarHBondContact CB-O 3.27Å; S450-P452 PolarHBondContact OG-O 3.08Å; P452-N502 PolarHBondContact O-ND2 3.49Å; P452-N502 VanDerWaalsContact O-ND2 3.17Å
453	E	91.4	Very high	88	Confident	115 Å²	115	32.7 Å²	32.7	54%	0.537	18%	0.176	S	C	.	.	P	Polyproline II helix	trans	-55.3	138.7	179.3	-161.7	162	171.3	0	0	111.7	R329	R329-E453 IonicContact CZ-OE2 4Å; R329-E453 IonicContact NE-OE2 2.72Å; R329-E453 IonicContact NH1-OE2 3.16Å; R329-E453 PolarHBondContact NH1-OE2 2.99Å
454	P	92.2	Very high	87.3	Confident	17 Å²	17	35.1 Å²	35.1	11%	0.11	19%	0.185	C	C	.	.	P	Polyproline II helix	trans	-88.6	142	-176.8	32.6	-22.4	0	0	0	110.9	P423 A448 S450 A500 Q501	P423-P454 HydrophobicContact CB-CB 4.1Å; A448-P454 HydrophobicContact CB-CG 3.92Å; S450-P454 WeakPolarHBondContact OG-CD 3.49Å; S450-P454 VanDerWaalsContact OG-CG 3.26Å; S450-P454 WeakPolarHBondContact OG-CG 3.36Å; P454-A500 HydrophobicContact CB-CB 4.23Å; P454-Q501 CarbonylContact C-O 3.5Å; P454-Q501 VanDerWaalsContact CA-O 3.23Å; P454-Q501 WeakPolarHBondContact CA-O 3.36Å
455	E	91.2	Very high	86.8	Confident	106 Å²	106	39.4 Å²	39.4	50%	0.495	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	125.5	163.2	-169.2	-174.6	161.1	0	0	108.6	Q501	E455-Q501 PolarHBondContact N-O 2.89Å; E455-Q501 PolarHBondContact O-N 3.35Å
456	I	92.9	Very high	86.6	Confident	34 Å²	34	39.2 Å²	39.2	17%	0.174	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	130.1	178.7	-60.6	178.5	0	0	0	109.2	C446 A448 V499 A500	C446-I456 HydrophobicContact CB-CG2 4.23Å; A448-I456 HydrophobicContact CB-CD1 4.22Å; I456-V499 WeakPolarHBondContact CA-O 3.44Å; I456-A500 HydrophobicContact CG1-CB 4.43Å
457	Y	90.5	Very high	86.5	Confident	11 Å²	11	41.9 Å²	41.9	4%	0.043	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	163.2	171.4	65.7	-94.1	0	0	0	110.9	V459 K465 V466 V499	Y457-V459 HydrophobicContact CD2-CG2 4.21Å; Y457-V459 HydrophobicContact CE2-CG2 3.92Å; Y457-K465 VanDerWaalsContact CD1-CE 3.47Å; Y457-K465 HydrophobicContact CD2-CD 4.01Å; Y457-K465 HydrophobicContact CD2-CG 3.57Å; Y457-K465 HydrophobicContact CE2-CD 4.19Å; Y457-K465 HydrophobicContact CE2-CG 4.03Å; Y457-K465 HydrophobicContact CG-CD 4.32Å; Y457-K465 HydrophobicContact CG-CG 4.14Å; Y457-V466 WeakPolarHBondContact CB-O 3.41Å; Y457-V499 HydrophobicContact CD1-CB 4.27Å; Y457-V499 HydrophobicContact CD1-CG1 4.5Å; Y457-V499 HydrophobicContact CD2-CB 4.03Å; Y457-V499 HydrophobicContact CD2-CG2 4.27Å; Y457-V499 HydrophobicContact CE1-CB 3.85Å; Y457-V499 HydrophobicContact CE1-CG1 3.68Å; Y457-V499 HydrophobicContact CE2-CB 3.59Å; Y457-V499 HydrophobicContact CE2-CG1 4.05Å; Y457-V499 HydrophobicContact CE2-CG2 3.65Å; Y457-V499 HydrophobicContact CG-CB 4.37Å; Y457-V499 VanDerWaalsContact CZ-CB 3.49Å; Y457-V499 VanDerWaalsContact CZ-CG1 3.42Å; Y457-V499 PolarHBondContact N-O 2.88Å; Y457-V499 PolarHBondContact O-N 3.21Å; Y457-V499 WeakPolarHBondContact OH-CG1 3.45Å
458	W	90.2	Very high	86.4	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	149.6	178.9	-77.9	83.2	0	0	0	111.8	F430 L444 C446 K465 V466 G481 L483 T497 C498 T511	F430-W458 AromaticContact CD1-CH2 3.98Å; F430-W458 HydrophobicContact CD1-CH2 3.98Å; F430-W458 HydrophobicContact CD1-CZ2 4.3Å; F430-W458 AromaticContact CE1-CH2 3.56Å; F430-W458 HydrophobicContact CE1-CH2 3.56Å; F430-W458 AromaticContact CE1-CZ2 3.9Å; F430-W458 HydrophobicContact CE1-CZ2 3.9Å; F430-W458 HydrophobicContact CE2-CH2 4.22Å; F430-W458 HydrophobicContact CG-CH2 4.47Å; F430-W458 AromaticContact CZ-CH2 3.67Å; F430-W458 HydrophobicContact CZ-CH2 3.67Å; F430-W458 HydrophobicContact CZ-CZ2 4.41Å; F430-W458 HydrophobicContact CZ-CZ3 4.33Å; L444-W458 HydrophobicContact CB-CH2 3.76Å; L444-W458 HydrophobicContact CB-CZ2 3.73Å; L444-W458 HydrophobicContact CD1-CH2 3.98Å; L444-W458 HydrophobicContact CD1-CZ3 4.09Å; L444-W458 HydrophobicContact CG-CH2 4.43Å; C446-W458 HydrophobicContact CB-CZ2 3.65Å; W458-K465 CarbonylContact O-C 3.56Å; W458-K465 WeakPolarHBondContact O-CA 3.43Å; W458-V466 HydrophobicContact CB-CB 4.42Å; W458-V466 PolarHBondContact N-O 2.85Å; W458-V466 PolarHBondContact O-N 2.9Å; W458-G481 PolarHBondContact NE1-O 3.37Å; W458-G481 VanDerWaalsContact NE1-O 3.08Å; W458-L483 HydrophobicContact CB-CD1 4.44Å; W458-L483 HydrophobicContact CB-CD2 3.91Å; W458-L483 HydrophobicContact CD2-CB 3.92Å; W458-L483 HydrophobicContact CD2-CD2 3.83Å; W458-L483 HydrophobicContact CD2-CG 4.49Å; W458-L483 HydrophobicContact CE3-CD2 3.99Å; W458-L483 HydrophobicContact CG-CB 3.81Å; W458-L483 HydrophobicContact CG-CD2 3.83Å; W458-L483 HydrophobicContact CG-CG 4.28Å; W458-L483 HydrophobicContact CZ2-CB 4.42Å; W458-T497 CarbonylContact C-O 3.51Å; W458-T497 WeakPolarHBondContact CA-O 3.37Å; W458-T497 VanDerWaalsContact CE3-C 3.44Å; W458-C498 HydrophobicContact CD2-CB 3.92Å; W458-C498 HydrophobicContact CE3-CB 3.98Å; W458-C498 HydrophobicContact CH2-CB 3.76Å; W458-C498 HydrophobicContact CZ2-CB 3.71Å; W458-C498 HydrophobicContact CZ3-CB 3.88Å; W458-T511 HydrophobicContact CZ3-CG2 4.33Å
459	V	82	Confident	86.2	Confident	8 Å²	8	51.3 Å²	51.3	5%	0.048	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	119.9	173	-174	0	0	0	0	108.6	Y457 H464 Y496 T497 V499 N547	Y457-V459 HydrophobicContact CD2-CG2 4.21Å; Y457-V459 HydrophobicContact CE2-CG2 3.92Å; V459-H464 WeakPolarHBondContact CA-O 3.05Å; V459-Y496 WeakPolarHBondContact O-CA 3.41Å; V459-T497 PolarHBondContact N-O 2.85Å; V459-T497 PolarHBondContact O-N 2.85Å; V459-V499 HydrophobicContact CG2-CG2 4.25Å; V459-N547 HydrophobicContact CG1-CB 4.07Å
460	T	83	Confident	86	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.006	28%	0.283	C	S	.	.			trans	-72	165	178.5	63.1	0	0	0	0	111.9	M462 G463 H464 V466 Y475 Y496 N547	T460-M462 PolarHBondContact O-N 3.27Å; T460-G463 PolarHBondContact O-N 2.88Å; T460-H464 HydrophobicContact CG2-CB 4.36Å; T460-H464 PolarHBondContact N-O 2.79Å; T460-H464 WeakPolarHBondContact OG1-CB 3.49Å; T460-H464 PolarHBondContact OG1-N 3.48Å; T460-H464 VanDerWaalsContact OG1-N 3.11Å; T460-H464 PolarHBondContact OG1-O 3.32Å; T460-V466 HydrophobicContact CG2-CG2 3.72Å; T460-Y475 HydrophobicContact CG2-CD1 4.46Å; T460-Y475 HydrophobicContact CG2-CD2 4.28Å; T460-Y475 HydrophobicContact CG2-CE1 4.11Å; T460-Y475 HydrophobicContact CG2-CE2 3.9Å; T460-Y496 HydrophobicContact CG2-CE1 4.33Å; T460-N547 PolarHBondContact O-ND2 3.14Å; T460-N547 PolarHBondContact O-OD1 3.16Å
461	P	75.1	Confident	85.7	Confident	21 Å²	21	62 Å²	62	14%	0.136	33%	0.328	C	S	.	.	T	Hydrogen-bonded Turn	trans	-46.3	-30.1	172.5	-35.3	38.8	0	0	0	115.8	Y496 N547	P461-Y496 HydrophobicContact CG-CD2 3.8Å; P461-Y496 HydrophobicContact CG-CE1 4.23Å; P461-Y496 HydrophobicContact CG-CE2 3.3Å; P461-Y496 HydrophobicContact CG-CG 4.44Å; P461-N547 WeakPolarHBondContact CA-ND2 3.5Å; P461-N547 PolarHBondContact O-ND2 2.94Å; P461-N547 PolarHBondContact O-OD1 3.46Å
462	M	69.8	Low	85.5	Confident	132 Å²	132	60.1 Å²	60.1	65%	0.65	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91	-1.1	-177.5	-60.3	-178.2	68.5	0	0	113.9	T460	T460-M462 PolarHBondContact O-N 3.27Å
463	G	68.1	Low	85.2	Confident	39 Å²	39	64.8 Å²	64.8	40%	0.402	35%	0.346	S	S	.	.			trans	87.8	3.2	-177.4	0	0	0	0	0	114.8	T460 K465 N547	T460-G463 PolarHBondContact O-N 2.88Å; G463-K465 PolarHBondContact O-N 3.04Å; G463-N547 VanDerWaalsContact CA-OD1 3.32Å; G463-N547 WeakPolarHBondContact CA-OD1 3.27Å; G463-N547 PolarHBondContact N-OD1 2.79Å
464	H	76.6	Confident	85.1	Confident	111 Å²	111	61.4 Å²	61.4	51%	0.514	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-70.6	129.5	176.1	-58.3	146.6	0	0	0	111.1	V459 T460	V459-H464 WeakPolarHBondContact CA-O 3.05Å; T460-H464 HydrophobicContact CG2-CB 4.36Å; T460-H464 PolarHBondContact N-O 2.79Å; T460-H464 WeakPolarHBondContact OG1-CB 3.49Å; T460-H464 PolarHBondContact OG1-N 3.48Å; T460-H464 VanDerWaalsContact OG1-N 3.11Å; T460-H464 PolarHBondContact OG1-O 3.32Å
465	K	81.9	Confident	85.2	Confident	92 Å²	92	62.1 Å²	62.1	40%	0.4	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	120.4	172.1	-169.5	-174	-177.5	-166.4	0	109.4	Y457 W458 G463 M467	Y457-K465 VanDerWaalsContact CD1-CE 3.47Å; Y457-K465 HydrophobicContact CD2-CD 4.01Å; Y457-K465 HydrophobicContact CD2-CG 3.57Å; Y457-K465 HydrophobicContact CE2-CD 4.19Å; Y457-K465 HydrophobicContact CE2-CG 4.03Å; Y457-K465 HydrophobicContact CG-CD 4.32Å; Y457-K465 HydrophobicContact CG-CG 4.14Å; W458-K465 CarbonylContact O-C 3.56Å; W458-K465 WeakPolarHBondContact O-CA 3.43Å; G463-K465 PolarHBondContact O-N 3.04Å; K465-M467 HydrophobicContact CD-CG 4.02Å; K465-M467 HydrophobicContact CD-SD 3.87Å; K465-M467 VanDerWaalsContact CE-SD 3.55Å; K465-M467 HydrophobicContact CG-CG 4.07Å; K465-M467 PolarHBondContact NZ-SD 2.95Å
466	V	88.6	Confident	85.3	Confident	4 Å²	4	63.9 Å²	63.9	2%	0.024	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	116.4	174.9	-174.8	0	0	0	0	108.2	Y457 W458 T460 T470 Y475 L477 L483	Y457-V466 WeakPolarHBondContact CB-O 3.41Å; W458-V466 HydrophobicContact CB-CB 4.42Å; W458-V466 PolarHBondContact N-O 2.85Å; W458-V466 PolarHBondContact O-N 2.9Å; T460-V466 HydrophobicContact CG2-CG2 3.72Å; V466-T470 HydrophobicContact CG1-CG2 4.45Å; V466-Y475 HydrophobicContact CG2-CG 4.32Å; V466-L477 HydrophobicContact CG1-CB 4.18Å; V466-L477 WeakPolarHBondContact O-CD2 3.2Å; V466-L483 HydrophobicContact CB-CD1 4.47Å; V466-L483 HydrophobicContact CG1-CD1 4.02Å
467	M	89.7	Confident	85.3	Confident	55 Å²	55	63.1 Å²	63.1	27%	0.271	33%	0.328	S	S	.	.			trans	-112.4	172.4	176.2	-61.1	-174.2	-52.2	0	0	109.6	K465 D469 T470	K465-M467 HydrophobicContact CD-CG 4.02Å; K465-M467 HydrophobicContact CD-SD 3.87Å; K465-M467 VanDerWaalsContact CE-SD 3.55Å; K465-M467 HydrophobicContact CG-CG 4.07Å; K465-M467 PolarHBondContact NZ-SD 2.95Å; M467-D469 WeakPolarHBondContact CB-OD1 2.96Å; M467-D469 PolarHBondContact O-N 3.05Å; M467-T470 PolarHBondContact N-OG1 3.08Å; M467-T470 VanDerWaalsContact O-CB 3.29Å; M467-T470 WeakPolarHBondContact O-CB 3.22Å; M467-T470 PolarHBondContact O-N 2.9Å; M467-T470 VanDerWaalsContact O-N 3.16Å; M467-T470 PolarHBondContact O-OG1 3.21Å
468	T	89.1	Confident	85.3	Confident	91 Å²	91	64.4 Å²	64.4	56%	0.558	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.9	-176.7	48.6	0	0	0	0	113.7	L477	T468-L477 HydrophobicContact CG2-CD2 4.14Å; T468-L477 HydrophobicContact CG2-CG 4.08Å
469	D	88.8	Confident	85.2	Confident	111 Å²	111	72.8 Å²	72.8	59%	0.594	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-0.7	177.7	64.2	-18.7	0	0	0	113.6	M467 L471	M467-D469 WeakPolarHBondContact CB-OD1 2.96Å; M467-D469 PolarHBondContact O-N 3.05Å; D469-L471 PolarHBondContact O-N 3.42Å
470	T	86.7	Confident	85.3	Confident	50 Å²	50	74.7 Å²	74.7	31%	0.307	38%	0.384	S	S	.	.			trans	-67.2	118.1	-178.3	-60.5	0	0	0	0	110.8	V466 M467 S472	V466-T470 HydrophobicContact CG1-CG2 4.45Å; M467-T470 PolarHBondContact N-OG1 3.08Å; M467-T470 VanDerWaalsContact O-CB 3.29Å; M467-T470 WeakPolarHBondContact O-CB 3.22Å; M467-T470 PolarHBondContact O-N 2.9Å; M467-T470 VanDerWaalsContact O-N 3.16Å; M467-T470 PolarHBondContact O-OG1 3.21Å; T470-S472 PolarHBondContact O-N 2.92Å
471	L	86.3	Confident	85.6	Confident	178 Å²	178	74.8 Å²	74.8	93%	0.932	39%	0.385	S	S	*	.			trans	-81.9	100.6	176.5	-64.2	173.6	0	0	0	110	D469	D469-L471 PolarHBondContact O-N 3.42Å
472	S	88.1	Confident	86.5	Confident	42 Å²	42	74.3 Å²	74.3	29%	0.294	38%	0.382	S	S	.	.			trans	-146.4	138.6	174.1	-177.8	0	0	0	0	110.5	T470 K474 Y475	T470-S472 PolarHBondContact O-N 2.92Å; S472-K474 PolarHBondContact OG-N 2.91Å; S472-K474 VanDerWaalsContact OG-N 3.16Å; S472-Y475 WeakPolarHBondContact CB-O 2.86Å; S472-Y475 PolarHBondContact OG-N 2.91Å
473	D	86.3	Confident	87.7	Confident	143 Å²	143	68 Å²	68	77%	0.765	35%	0.351	S	S	*	.	S	Bend	trans	-76	-18.4	170.7	-67.4	-37.4	0	0	0	112.2
474	K	90.4	Very high	88.9	Confident	43 Å²	43	71.5 Å²	71.5	19%	0.187	35%	0.351	C	S	.	.	S	Bend	trans	-90	-50.2	-177.1	-175.5	73.1	-176.6	-165.5	0	112.5	S472 S486 H487 D492	S472-K474 PolarHBondContact OG-N 2.91Å; S472-K474 VanDerWaalsContact OG-N 3.16Å; K474-S486 WeakPolarHBondContact CD-O 3.38Å; K474-S486 WeakPolarHBondContact CE-O 3.44Å; K474-S486 PolarHBondContact NZ-O 2.84Å; K474-S486 PolarHBondContact O-N 2.01Å; K474-H487 PolarHBondContact NZ-O 2.81Å; K474-D492 VanDerWaalsContact CE-CG 3.43Å; K474-D492 WeakPolarHBondContact CE-OD1 3.45Å; K474-D492 WeakPolarHBondContact CE-OD2 3.5Å; K474-D492 IonicContact NZ-OD1 2.75Å; K474-D492 IonicContact NZ-OD2 2.69Å; K474-D492 PolarHBondContact NZ-OD2 3.28Å
475	Y	93.1	Very high	89.8	Confident	32 Å²	32	66.2 Å²	66.2	13%	0.125	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	128.5	-174.9	-57	-67.1	0	0	0	110.1	T460 V466 S472 L483 R484 I485 D492 Y496	T460-Y475 HydrophobicContact CG2-CD1 4.46Å; T460-Y475 HydrophobicContact CG2-CD2 4.28Å; T460-Y475 HydrophobicContact CG2-CE1 4.11Å; T460-Y475 HydrophobicContact CG2-CE2 3.9Å; V466-Y475 HydrophobicContact CG2-CG 4.32Å; S472-Y475 WeakPolarHBondContact CB-O 2.86Å; S472-Y475 PolarHBondContact OG-N 2.91Å; Y475-L483 HydrophobicContact CD1-CD1 4.39Å; Y475-R484 WeakPolarHBondContact CA-O 3.48Å; Y475-I485 HydrophobicContact CD1-CB 4.5Å; Y475-I485 HydrophobicContact CD1-CG1 4.05Å; Y475-I485 HydrophobicContact CD1-CG2 4.18Å; Y475-I485 HydrophobicContact CE1-CD1 4.41Å; Y475-I485 HydrophobicContact CE1-CG1 4.18Å; Y475-I485 HydrophobicContact CE1-CG2 3.85Å; Y475-D492 PolarHBondContact OH-OD1 2.74Å; Y475-Y496 AromaticContact CE1-CE1 3.94Å; Y475-Y496 HydrophobicContact CE1-CE1 3.94Å
476	R	93.6	Very high	90.4	Very high	144 Å²	144	62.8 Å²	62.8	54%	0.543	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.2	171.4	-67.3	-175.9	-178.6	162.1	1.9	109.8	R484	R476-R484 HydrophobicContact CB-CB 4.37Å; R476-R484 PolarHBondContact N-O 3.16Å; R476-R484 PolarHBondContact O-N 2.89Å
477	L	93.6	Very high	90.6	Very high	18 Å²	18	68.7 Å²	68.7	9%	0.094	34%	0.342	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	121.9	175.2	-176.5	60.2	0	0	0	109.7	V466 T468 T482 L483	V466-L477 HydrophobicContact CG1-CB 4.18Å; V466-L477 WeakPolarHBondContact O-CD2 3.2Å; T468-L477 HydrophobicContact CG2-CD2 4.14Å; T468-L477 HydrophobicContact CG2-CG 4.08Å; L477-T482 WeakPolarHBondContact CA-O 3.42Å; L477-T482 WeakPolarHBondContact CD1-O 3.34Å; L477-L483 HydrophobicContact CD1-CB 4.49Å
478	S	91.2	Very high	90.7	Very high	37 Å²	37	66.2 Å²	66.2	26%	0.259	33%	0.329	S	S	.	.			trans	-74	163.2	172.4	65	0	0	0	0	111.7	E480 G481 T482	S478-E480 WeakPolarHBondContact CB-OE2 3.39Å; S478-E480 PolarHBondContact O-N 2.65Å; S478-G481 PolarHBondContact O-N 2.73Å; S478-G481 VanDerWaalsContact O-N 3.14Å; S478-T482 PolarHBondContact N-O 3.16Å; S478-T482 WeakPolarHBondContact OG-CA 3.42Å; S478-T482 WeakPolarHBondContact OG-CB 3.33Å; S478-T482 PolarHBondContact OG-N 3.4Å; S478-T482 PolarHBondContact OG-O 2.76Å; S478-T482 PolarHBondContact OG-OG1 2.78Å
479	K	86.4	Confident	90.8	Very high	176 Å²	176	65.5 Å²	65.5	77%	0.765	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-20.3	176.7	-67.4	-176.5	179.3	178.2	0	112.2	G481	K479-G481 VanDerWaalsContact C-N 3.28Å
480	E	84.6	Confident	90.5	Very high	49 Å²	49	62.7 Å²	62.7	23%	0.229	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.4	-4.7	179.4	-62	63.7	-140	0	0	112.1	R447 S478	R447-E480 PolarHBondContact NH1-O 3.07Å; S478-E480 WeakPolarHBondContact CB-OE2 3.39Å; S478-E480 PolarHBondContact O-N 2.65Å
481	G	90.5	Very high	90.3	Very high	3 Å²	3	67.3 Å²	67.3	3%	0.031	33%	0.325	C	S	.	.	S	Bend	trans	90.8	9	179.1	0	0	0	0	0	114.7	C446 W458 S478 K479	C446-G481 WeakPolarHBondContact CB-O 3.27Å; C446-G481 PolarHBondContact N-O 3.06Å; W458-G481 PolarHBondContact NE1-O 3.37Å; W458-G481 VanDerWaalsContact NE1-O 3.08Å; S478-G481 PolarHBondContact O-N 2.73Å; S478-G481 VanDerWaalsContact O-N 3.14Å; K479-G481 VanDerWaalsContact C-N 3.28Å
482	T	92.9	Very high	90.3	Very high	11 Å²	11	59.3 Å²	59.3	7%	0.067	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	119.8	176.3	-48.5	0	0	0	0	111.8	D443 L444 D445 R447 L477 S478	D443-T482 HydrophobicContact CB-CG2 3.91Å; L444-T482 CarbonylContact O-C 3.55Å; L444-T482 VanDerWaalsContact O-CA 3.27Å; L444-T482 WeakPolarHBondContact O-CA 3.37Å; D445-T482 VanDerWaalsContact OD1-CB 3.3Å; D445-T482 WeakPolarHBondContact OD1-CB 3.27Å; D445-T482 WeakPolarHBondContact OD1-CG2 3.22Å; D445-T482 PolarHBondContact OD1-OG1 3.45Å; R447-T482 PolarHBondContact NH1-OG1 3.42Å; R447-T482 PolarHBondContact NH2-OG1 3.14Å; R447-T482 VanDerWaalsContact NH2-OG1 3.14Å; L477-T482 WeakPolarHBondContact CA-O 3.42Å; L477-T482 WeakPolarHBondContact CD1-O 3.34Å; S478-T482 PolarHBondContact N-O 3.16Å; S478-T482 WeakPolarHBondContact OG-CA 3.42Å; S478-T482 WeakPolarHBondContact OG-CB 3.33Å; S478-T482 PolarHBondContact OG-N 3.4Å; S478-T482 PolarHBondContact OG-O 2.76Å; S478-T482 PolarHBondContact OG-OG1 2.78Å
483	L	94.6	Very high	90.2	Very high	0 Å²	0	57.4 Å²	57.4	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.5	171.3	176.3	68.2	0	0	0	109.9	D443 L444 W458 V466 Y475 L477 I485 Y496	D443-L483 WeakPolarHBondContact CA-O 3.15Å; L444-L483 HydrophobicContact CB-CB 4.4Å; L444-L483 PolarHBondContact N-O 3.26Å; L444-L483 PolarHBondContact O-N 3.42Å; W458-L483 HydrophobicContact CB-CD1 4.44Å; W458-L483 HydrophobicContact CB-CD2 3.91Å; W458-L483 HydrophobicContact CD2-CB 3.92Å; W458-L483 HydrophobicContact CD2-CD2 3.83Å; W458-L483 HydrophobicContact CD2-CG 4.49Å; W458-L483 HydrophobicContact CE3-CD2 3.99Å; W458-L483 HydrophobicContact CG-CB 3.81Å; W458-L483 HydrophobicContact CG-CD2 3.83Å; W458-L483 HydrophobicContact CG-CG 4.28Å; W458-L483 HydrophobicContact CZ2-CB 4.42Å; V466-L483 HydrophobicContact CB-CD1 4.47Å; V466-L483 HydrophobicContact CG1-CD1 4.02Å; Y475-L483 HydrophobicContact CD1-CD1 4.39Å; L477-L483 HydrophobicContact CD1-CB 4.49Å; L483-I485 HydrophobicContact CD2-CD1 4.05Å; L483-I485 HydrophobicContact CD2-CG1 4.06Å; L483-I485 HydrophobicContact CG-CG1 3.99Å; L483-Y496 HydrophobicContact CD2-CD1 3.88Å; L483-Y496 HydrophobicContact CD2-CE1 4.38Å
484	R	94.8	Very high	89.9	Confident	111 Å²	111	50.7 Å²	50.7	42%	0.419	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.5	168.4	177.8	166.6	-70.6	169.3	0.5	110.1	T441 L442 D443 Y475 R476	T441-R484 HydrophobicContact CG2-CG 3.95Å; L442-R484 CarbonylContact O-C 3.54Å; L442-R484 WeakPolarHBondContact O-CA 3.35Å; D443-R484 VanDerWaalsContact OD1-CB 3.27Å; D443-R484 WeakPolarHBondContact OD1-CB 3.45Å; D443-R484 VanDerWaalsContact OD1-CG 3.23Å; D443-R484 WeakPolarHBondContact OD1-CG 3.06Å; D443-R484 IonicContact OD1-CZ 3.78Å; D443-R484 IonicContact OD1-NE 3.67Å; D443-R484 PolarHBondContact OD1-NE 3.39Å; D443-R484 IonicContact OD1-NH2 3.06Å; D443-R484 IonicContact OD2-CZ 2.68Å; D443-R484 IonicContact OD2-NE 3.73Å; D443-R484 PolarHBondContact OD2-NE 3.46Å; D443-R484 IonicContact OD2-NH2 3.36Å; D443-R484 PolarHBondContact OD2-NH2 2.98Å; Y475-R484 WeakPolarHBondContact CA-O 3.48Å; R476-R484 HydrophobicContact CB-CB 4.37Å; R476-R484 PolarHBondContact N-O 3.16Å; R476-R484 PolarHBondContact O-N 2.89Å
485	I	94.6	Very high	89.5	Confident	1 Å²	1	53.3 Å²	53.3	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	110.9	174.2	-47.9	178.1	0	0	0	107.7	T441 L442 L444 Y475 L483 I488 Y496 I513	T441-I485 WeakPolarHBondContact CA-O 3.2Å; L442-I485 HydrophobicContact CD2-CD1 4.33Å; L442-I485 PolarHBondContact N-O 3Å; L442-I485 PolarHBondContact O-N 2.97Å; L444-I485 HydrophobicContact CD1-CD1 4.44Å; Y475-I485 HydrophobicContact CD1-CB 4.5Å; Y475-I485 HydrophobicContact CD1-CG1 4.05Å; Y475-I485 HydrophobicContact CD1-CG2 4.18Å; Y475-I485 HydrophobicContact CE1-CD1 4.41Å; Y475-I485 HydrophobicContact CE1-CG1 4.18Å; Y475-I485 HydrophobicContact CE1-CG2 3.85Å; L483-I485 HydrophobicContact CD2-CD1 4.05Å; L483-I485 HydrophobicContact CD2-CG1 4.06Å; L483-I485 HydrophobicContact CG-CG1 3.99Å; I485-I488 HydrophobicContact CG2-CG1 4.17Å; I485-Y496 HydrophobicContact CD1-CD1 3.96Å; I485-Y496 HydrophobicContact CD1-CE1 3.46Å; I485-Y496 VanDerWaalsContact CD1-CE1 3.46Å; I485-Y496 HydrophobicContact CD1-CE2 4.31Å; I485-I513 HydrophobicContact CD1-CD1 4.02Å
486	S	94.4	Very high	89.1	Confident	20 Å²	20	51.9 Å²	51.9	14%	0.14	24%	0.237	C	C	.	.			trans	-92.2	147.7	-177.5	-66.5	0	0	0	0	112.5	K474 I488	K474-S486 WeakPolarHBondContact CD-O 3.38Å; K474-S486 WeakPolarHBondContact CE-O 3.44Å; K474-S486 PolarHBondContact NZ-O 2.84Å; K474-S486 PolarHBondContact O-N 2.01Å; S486-I488 PolarHBondContact O-N 2.77Å
487	H	92.4	Very high	88.7	Confident	128 Å²	128	45.2 Å²	45.2	59%	0.593	21%	0.212	S	C	*	.	S	Bend	trans	51.4	56.3	174.4	-54	103.1	0	0	0	113.7	M440 K474 Q489	M440-H487 PolarHBondContact O-N 3.45Å; K474-H487 PolarHBondContact NZ-O 2.81Å; H487-Q489 PolarHBondContact O-N 2.82Å; H487-Q489 PolarHBondContact O-NE2 2.86Å
488	I	92.9	Very high	88.6	Confident	2 Å²	2	44.3 Å²	44.3	1%	0.01	21%	0.208	C	C	.	.			trans	-50.8	132.5	-176.1	-74	165.5	0	0	0	111.8	L436 I438 G439 M440 L442 I485 S486 V515	L436-I488 HydrophobicContact CB-CD1 4.35Å; L436-I488 HydrophobicContact CD1-CD1 3.49Å; L436-I488 VanDerWaalsContact CD1-CD1 3.49Å; L436-I488 HydrophobicContact CG-CD1 4.46Å; I438-I488 CarbonylContact C-O 3.5Å; I438-I488 WeakPolarHBondContact CA-O 3.35Å; G439-I488 PolarHBondContact N-O 3.46Å; M440-I488 HydrophobicContact CB-CD1 4.32Å; M440-I488 WeakPolarHBondContact O-CB 3.32Å; M440-I488 WeakPolarHBondContact O-CG1 3.47Å; M440-I488 PolarHBondContact O-N 2.98Å; L442-I488 HydrophobicContact CB-CD1 3.65Å; I485-I488 HydrophobicContact CG2-CG1 4.17Å; S486-I488 PolarHBondContact O-N 2.77Å; I488-V515 HydrophobicContact CG2-CB 4.32Å; I488-V515 HydrophobicContact CG2-CG1 3.8Å; I488-V515 HydrophobicContact CG2-CG2 3.5Å; I488-V515 VanDerWaalsContact CG2-CG2 3.5Å
489	Q	89.6	Confident	88.4	Confident	76 Å²	76	42.9 Å²	42.9	36%	0.355	20%	0.197	S	C	.	.			trans	-122.8	166.4	176.3	-63.3	-56.5	-38.4	0	0	110.1	H487 E491 D492	H487-Q489 PolarHBondContact O-N 2.82Å; H487-Q489 PolarHBondContact O-NE2 2.86Å; Q489-E491 HydrophobicContact CB-CG 3.75Å; Q489-E491 PolarHBondContact O-N 3.38Å; Q489-D492 PolarHBondContact N-OD2 3.47Å; Q489-D492 WeakPolarHBondContact O-CB 3.08Å; Q489-D492 PolarHBondContact O-N 2.78Å
490	V	84.4	Confident	88.5	Confident	53 Å²	53	34.5 Å²	34.5	32%	0.321	16%	0.161	S	C	.	.	G	3₁₀ helix	trans	-57.9	-36	179.6	174.7	0	0	0	0	111.9	I438 D492 S493 V515 T518 L520	I438-V490 HydrophobicContact CD1-CG2 3.76Å; I438-V490 HydrophobicContact CG1-CG2 4.18Å; V490-D492 PolarHBondContact O-N 3.38Å; V490-S493 VanDerWaalsContact O-CB 3.27Å; V490-S493 WeakPolarHBondContact O-CB 3.47Å; V490-S493 PolarHBondContact O-N 3.35Å; V490-S493 VanDerWaalsContact O-N 3.11Å; V490-S493 PolarHBondContact O-OG 2.72Å; V490-V515 HydrophobicContact CG2-CG1 4.34Å; V490-T518 WeakPolarHBondContact CG1-OG1 3.38Å; V490-L520 HydrophobicContact CG1-CD1 4.25Å; V490-L520 VanDerWaalsContact O-CD1 3.24Å; V490-L520 WeakPolarHBondContact O-CD1 3.35Å
491	E	82.4	Confident	88.6	Confident	147 Å²	147	35.7 Å²	35.7	69%	0.687	17%	0.167	S	C	*	.	G	3₁₀ helix	trans	-63.7	-21.8	175.8	58.8	-171.8	-155.2	0	0	114.6	Q489 S493	Q489-E491 HydrophobicContact CB-CG 3.75Å; Q489-E491 PolarHBondContact O-N 3.38Å; E491-S493 PolarHBondContact O-N 2.63Å
492	D	85.2	Confident	88.5	Confident	9 Å²	9	36.4 Å²	36.4	5%	0.048	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-79	-8.1	175.5	-62	-58	0	0	0	112.7	K474 Y475 Q489 V490 Y496	K474-D492 VanDerWaalsContact CE-CG 3.43Å; K474-D492 WeakPolarHBondContact CE-OD1 3.45Å; K474-D492 WeakPolarHBondContact CE-OD2 3.5Å; K474-D492 IonicContact NZ-OD1 2.75Å; K474-D492 IonicContact NZ-OD2 2.69Å; K474-D492 PolarHBondContact NZ-OD2 3.28Å; Y475-D492 PolarHBondContact OH-OD1 2.74Å; Q489-D492 PolarHBondContact N-OD2 3.47Å; Q489-D492 WeakPolarHBondContact O-CB 3.08Å; Q489-D492 PolarHBondContact O-N 2.78Å; V490-D492 PolarHBondContact O-N 3.38Å; D492-Y496 WeakPolarHBondContact O-CE2 3.1Å; D492-Y496 PolarHBondContact O-OH 2.91Å
493	S	85.9	Confident	88.2	Confident	2 Å²	2	39.9 Å²	39.9	1%	0.014	20%	0.195	C	C	.	.			trans	-65.4	143.4	177.4	67.2	0	0	0	0	111	V490 E491 I513 L520	V490-S493 VanDerWaalsContact O-CB 3.27Å; V490-S493 WeakPolarHBondContact O-CB 3.47Å; V490-S493 PolarHBondContact O-N 3.35Å; V490-S493 VanDerWaalsContact O-N 3.11Å; V490-S493 PolarHBondContact O-OG 2.72Å; E491-S493 PolarHBondContact O-N 2.63Å; S493-I513 WeakPolarHBondContact CA-O 3.26Å; S493-I513 WeakPolarHBondContact CB-O 3.24Å; S493-L520 VanDerWaalsContact OG-CB 3.24Å; S493-L520 WeakPolarHBondContact OG-CB 3.28Å; S493-L520 VanDerWaalsContact OG-CG 3.23Å; S493-L520 WeakPolarHBondContact OG-CG 3.25Å; S493-L520 PolarHBondContact OG-N 2.99Å
494	G	81.1	Confident	87.9	Confident	2 Å²	2	44 Å²	44	2%	0.021	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	143.7	-164.7	-177.3	0	0	0	0	0	112.7	I513	G494-I513 PolarHBondContact N-O 3.11Å; G494-I513 PolarHBondContact O-N 2.69Å
495	R	80.6	Confident	87.3	Confident	99 Å²	99	39.7 Å²	39.7	37%	0.374	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	117.6	-176.3	-67.4	175.7	-178.7	-88	1.5	110.6	V510 T511 A512 D521 N547	R495-V510 HydrophobicContact CB-CG1 3.87Å; R495-V510 HydrophobicContact CG-CG1 4.28Å; R495-T511 WeakPolarHBondContact CA-O 3.48Å; R495-A512 HydrophobicContact CG-CB 4.23Å; R495-D521 IonicContact NE-OD1 3.71Å; R495-N547 PolarHBondContact O-ND2 2.98Å
496	Y	86	Confident	86.6	Confident	1 Å²	1	42.2 Å²	42.2	0%	0.004	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	134.3	172.6	-69.8	-103.2	0	0	0	108.9	V459 T460 P461 Y475 L483 I485 D492 V510 T511 I513	V459-Y496 WeakPolarHBondContact O-CA 3.41Å; T460-Y496 HydrophobicContact CG2-CE1 4.33Å; P461-Y496 HydrophobicContact CG-CD2 3.8Å; P461-Y496 HydrophobicContact CG-CE1 4.23Å; P461-Y496 HydrophobicContact CG-CE2 3.3Å; P461-Y496 HydrophobicContact CG-CG 4.44Å; Y475-Y496 AromaticContact CE1-CE1 3.94Å; Y475-Y496 HydrophobicContact CE1-CE1 3.94Å; L483-Y496 HydrophobicContact CD2-CD1 3.88Å; L483-Y496 HydrophobicContact CD2-CE1 4.38Å; I485-Y496 HydrophobicContact CD1-CD1 3.96Å; I485-Y496 HydrophobicContact CD1-CE1 3.46Å; I485-Y496 VanDerWaalsContact CD1-CE1 3.46Å; I485-Y496 HydrophobicContact CD1-CE2 4.31Å; D492-Y496 WeakPolarHBondContact O-CE2 3.1Å; D492-Y496 PolarHBondContact O-OH 2.91Å; Y496-V510 CarbonylContact O-C 3.49Å; Y496-V510 WeakPolarHBondContact O-CA 3.13Å; Y496-T511 PolarHBondContact N-O 2.9Å; Y496-T511 PolarHBondContact O-N 3.32Å; Y496-I513 HydrophobicContact CD2-CB 4.33Å; Y496-I513 HydrophobicContact CD2-CD1 3.35Å; Y496-I513 HydrophobicContact CD2-CG1 3.74Å; Y496-I513 HydrophobicContact CE2-CB 4.24Å; Y496-I513 HydrophobicContact CE2-CD1 3.43Å; Y496-I513 VanDerWaalsContact CE2-CD1 3.43Å; Y496-I513 HydrophobicContact CE2-CG1 4.03Å; Y496-I513 HydrophobicContact CG-CD1 4.09Å
497	T	85	Confident	86	Confident	4 Å²	4	43.2 Å²	43.2	3%	0.025	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	119.4	-177.5	-55.2	0	0	0	0	109.4	W458 V459 V499 K509 V510 N547	W458-T497 CarbonylContact C-O 3.51Å; W458-T497 WeakPolarHBondContact CA-O 3.37Å; W458-T497 VanDerWaalsContact CE3-C 3.44Å; V459-T497 PolarHBondContact N-O 2.85Å; V459-T497 PolarHBondContact O-N 2.85Å; T497-V499 HydrophobicContact CG2-CG2 4.04Å; T497-K509 CarbonylContact C-O 3.58Å; T497-K509 WeakPolarHBondContact CA-O 3.39Å; T497-V510 HydrophobicContact CG2-CG2 3.99Å; T497-N547 WeakPolarHBondContact CB-O 3.24Å; T497-N547 PolarHBondContact OG1-O 2.91Å
498	C	90.8	Very high	85.6	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	135.2	164	-179.5	0	0	0	0	109.2	I425 F430 C446 W458 T508 K509	I425-C498 HydrophobicContact CD1-CB 4.34Å; F430-C498 HydrophobicContact CE1-CB 4.07Å; F430-C498 HydrophobicContact CZ-CB 3.95Å; C446-C498 HydrophobicContact CB-CB 3.8Å; C446-C498 WeakPolarHBondContact CB-SG 3.43Å; C446-C498 WeakPolarHBondContact SG-CB 3.37Å; C446-C498 CovalentContact SG-SG 2.01Å; C446-C498 PolarHBondContact SG-SG 3Å; W458-C498 HydrophobicContact CD2-CB 3.92Å; W458-C498 HydrophobicContact CE3-CB 3.98Å; W458-C498 HydrophobicContact CH2-CB 3.76Å; W458-C498 HydrophobicContact CZ2-CB 3.71Å; W458-C498 HydrophobicContact CZ3-CB 3.88Å; C498-T508 VanDerWaalsContact O-CA 3.28Å; C498-T508 WeakPolarHBondContact O-CA 3.27Å; C498-K509 PolarHBondContact N-O 2.67Å; C498-K509 PolarHBondContact O-N 2.7Å
499	V	86.4	Confident	85.1	Confident	6 Å²	6	42.4 Å²	42.4	4%	0.036	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	128.6	175	-174.2	0	0	0	0	109.2	I456 Y457 V459 T497 V506 T508	I456-V499 WeakPolarHBondContact CA-O 3.44Å; Y457-V499 HydrophobicContact CD1-CB 4.27Å; Y457-V499 HydrophobicContact CD1-CG1 4.5Å; Y457-V499 HydrophobicContact CD2-CB 4.03Å; Y457-V499 HydrophobicContact CD2-CG2 4.27Å; Y457-V499 HydrophobicContact CE1-CB 3.85Å; Y457-V499 HydrophobicContact CE1-CG1 3.68Å; Y457-V499 HydrophobicContact CE2-CB 3.59Å; Y457-V499 HydrophobicContact CE2-CG1 4.05Å; Y457-V499 HydrophobicContact CE2-CG2 3.65Å; Y457-V499 HydrophobicContact CG-CB 4.37Å; Y457-V499 VanDerWaalsContact CZ-CB 3.49Å; Y457-V499 VanDerWaalsContact CZ-CG1 3.42Å; Y457-V499 PolarHBondContact N-O 2.88Å; Y457-V499 PolarHBondContact O-N 3.21Å; Y457-V499 WeakPolarHBondContact OH-CG1 3.45Å; V459-V499 HydrophobicContact CG2-CG2 4.25Å; T497-V499 HydrophobicContact CG2-CG2 4.04Å; V499-V506 HydrophobicContact CG1-CG1 3.41Å; V499-V506 VanDerWaalsContact CG1-CG1 3.41Å; V499-T508 HydrophobicContact CB-CG2 4.36Å; V499-T508 HydrophobicContact CG1-CG2 4.04Å; V499-T508 HydrophobicContact CG2-CG2 3.97Å
500	A	89.9	Confident	84.7	Confident	0 Å²	0	41 Å²	41	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.5	171.4	0	0	0	0	0	108.9	P423 I425 A448 P454 I456 V506 D507	P423-A500 HydrophobicContact CB-CB 4.03Å; P423-A500 WeakPolarHBondContact CG-O 3.42Å; I425-A500 HydrophobicContact CD1-CB 4.21Å; I425-A500 HydrophobicContact CG1-CB 3.83Å; A448-A500 HydrophobicContact CB-CB 3.56Å; P454-A500 HydrophobicContact CB-CB 4.23Å; I456-A500 HydrophobicContact CG1-CB 4.43Å; A500-V506 WeakPolarHBondContact O-CA 3.32Å; A500-D507 PolarHBondContact N-O 2.87Å; A500-D507 PolarHBondContact O-N 2.98Å
501	Q	86.4	Confident	84.8	Confident	75 Å²	75	38.5 Å²	38.5	35%	0.35	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	134.4	-173.4	174.6	169.7	10.4	0	0	111.6	P454 E455 G505 V506	P454-Q501 CarbonylContact C-O 3.5Å; P454-Q501 VanDerWaalsContact CA-O 3.23Å; P454-Q501 WeakPolarHBondContact CA-O 3.36Å; E455-Q501 PolarHBondContact N-O 2.89Å; E455-Q501 PolarHBondContact O-N 3.35Å; Q501-G505 WeakPolarHBondContact CA-O 3.2Å; Q501-V506 HydrophobicContact CB-CG2 3.93Å; Q501-V506 HydrophobicContact CG-CG2 3.73Å
502	N	88.1	Confident	85	Confident	17 Å²	17	31.5 Å²	31.5	9%	0.091	17%	0.172	C	C	.	.			trans	-132.6	-171.5	166.7	75.4	-1.7	0	0	0	110.9	C421 P423 P452 E504 G505	C421-N502 PolarHBondContact O-ND2 2.92Å; P423-N502 WeakPolarHBondContact CD-OD1 3.42Å; P452-N502 PolarHBondContact O-ND2 3.49Å; P452-N502 VanDerWaalsContact O-ND2 3.17Å; N502-E504 PolarHBondContact O-N 3.43Å; N502-E504 WeakPolarHBondContact OD1-CA 3.44Å; N502-E504 WeakPolarHBondContact OD1-CB 3.42Å; N502-E504 PolarHBondContact OD1-N 3.11Å; N502-G505 PolarHBondContact N-O 2.71Å; N502-G505 PolarHBondContact O-N 3Å; N502-G505 PolarHBondContact OD1-N 3.41Å; N502-G505 VanDerWaalsContact OD1-N 3.11Å; N502-G505 PolarHBondContact OD1-O 3.42Å
503	S	87.1	Confident	85.3	Confident	85 Å²	85	31.3 Å²	31.3	59%	0.594	17%	0.171	S	C	*	.	S	Bend	trans	-61.3	-27.7	178.9	57.4	0	0	0	0	113.9
504	E	88.3	Confident	85.4	Confident	85 Å²	85	35 Å²	35	40%	0.397	19%	0.187	S	C	.	.	S	Bend	trans	-85.2	-26.6	-175.9	-54.8	-47.5	109.8	0	0	112.2	Q420 L422 N502	Q420-E504 HydrophobicContact CB-CG 3.86Å; Q420-E504 PolarHBondContact OE1-OE1 3.31Å; L422-E504 VanDerWaalsContact CD2-C 3.45Å; L422-E504 HydrophobicContact CD2-CB 4.06Å; L422-E504 WeakPolarHBondContact CD2-O 3.35Å; L422-E504 HydrophobicContact CG-CB 4.48Å; N502-E504 PolarHBondContact O-N 3.43Å; N502-E504 WeakPolarHBondContact OD1-CA 3.44Å; N502-E504 WeakPolarHBondContact OD1-CB 3.42Å; N502-E504 PolarHBondContact OD1-N 3.11Å
505	G	81.1	Confident	85.9	Confident	22 Å²	22	35 Å²	35	23%	0.227	19%	0.186	C	C	.	.			trans	159.3	-154.3	179.1	0	0	0	0	0	114.1	L422 Q501 N502	L422-G505 VanDerWaalsContact CD2-CA 3.49Å; Q501-G505 WeakPolarHBondContact CA-O 3.2Å; N502-G505 PolarHBondContact N-O 2.71Å; N502-G505 PolarHBondContact O-N 3Å; N502-G505 PolarHBondContact OD1-N 3.41Å; N502-G505 VanDerWaalsContact OD1-N 3.11Å; N502-G505 PolarHBondContact OD1-O 3.42Å
506	V	80.7	Confident	86.1	Confident	54 Å²	54	35.6 Å²	35.6	33%	0.327	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	141.5	-167.8	-178.3	0	0	0	0	110.6	V499 A500 Q501 T508	V499-V506 HydrophobicContact CG1-CG1 3.41Å; V499-V506 VanDerWaalsContact CG1-CG1 3.41Å; A500-V506 WeakPolarHBondContact O-CA 3.32Å; Q501-V506 HydrophobicContact CB-CG2 3.93Å; Q501-V506 HydrophobicContact CG-CG2 3.73Å; V506-T508 HydrophobicContact CG1-CG2 3.99Å
507	D	82.1	Confident	85.6	Confident	40 Å²	40	38.8 Å²	38.8	21%	0.214	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	148.2	166.2	-173.7	29.1	0	0	0	110.4	P423 L424 I425 A500	P423-D507 HydrophobicContact CB-CB 4.46Å; P423-D507 HydrophobicContact CG-CB 4.25Å; P423-D507 VanDerWaalsContact O-CB 3.27Å; P423-D507 WeakPolarHBondContact O-CB 3.38Å; L424-D507 WeakPolarHBondContact CA-OD2 3.48Å; I425-D507 HydrophobicContact CG1-CB 4.44Å; I425-D507 PolarHBondContact N-OD2 3.24Å; A500-D507 PolarHBondContact N-O 2.87Å; A500-D507 PolarHBondContact O-N 2.98Å
508	T	83.7	Confident	85	Confident	62 Å²	62	41.3 Å²	41.3	38%	0.38	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	141.1	-174.5	65.8	0	0	0	0	112.1	C498 V499 V506	C498-T508 VanDerWaalsContact O-CA 3.28Å; C498-T508 WeakPolarHBondContact O-CA 3.27Å; V499-T508 HydrophobicContact CB-CG2 4.36Å; V499-T508 HydrophobicContact CG1-CG2 4.04Å; V499-T508 HydrophobicContact CG2-CG2 3.97Å; V506-T508 HydrophobicContact CG1-CG2 3.99Å
509	K	81.6	Confident	84.1	Confident	51 Å²	51	43.9 Å²	43.9	22%	0.222	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	140.6	170.6	-76.7	-163.7	-177.5	178.2	0	111.2	I425 S426 F430 T497 C498	I425-K509 HydrophobicContact CB-CD 4.08Å; I425-K509 HydrophobicContact CB-CG 4.13Å; I425-K509 HydrophobicContact CD1-CB 4.18Å; I425-K509 HydrophobicContact CD1-CG 4.24Å; I425-K509 HydrophobicContact CG2-CB 4.35Å; I425-K509 HydrophobicContact CG2-CD 3.76Å; I425-K509 HydrophobicContact CG2-CG 4.1Å; I425-K509 WeakPolarHBondContact O-CE 3.45Å; I425-K509 PolarHBondContact O-NZ 2.9Å; I425-K509 VanDerWaalsContact O-NZ 3.07Å; S426-K509 PolarHBondContact O-NZ 3.04Å; F430-K509 HydrophobicContact CE2-CB 4.02Å; F430-K509 HydrophobicContact CZ-CB 3.58Å; T497-K509 CarbonylContact C-O 3.58Å; T497-K509 WeakPolarHBondContact CA-O 3.39Å; C498-K509 PolarHBondContact N-O 2.67Å; C498-K509 PolarHBondContact O-N 2.7Å
510	V	82.7	Confident	83.1	Confident	47 Å²	47	47.9 Å²	47.9	29%	0.285	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	136.1	-174.2	-174.5	0	0	0	0	109.9	R495 Y496 T497	R495-V510 HydrophobicContact CB-CG1 3.87Å; R495-V510 HydrophobicContact CG-CG1 4.28Å; Y496-V510 CarbonylContact O-C 3.49Å; Y496-V510 WeakPolarHBondContact O-CA 3.13Å; T497-V510 HydrophobicContact CG2-CG2 3.99Å
511	T	86.3	Confident	81.3	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135.2	166.3	-170.9	0	0	0	0	110.2	F430 P431 T432 L444 W458 R495 Y496 I513	F430-T511 HydrophobicContact CD2-CG2 4.2Å; F430-T511 HydrophobicContact CE2-CG2 4.33Å; P431-T511 WeakPolarHBondContact O-CB 3.05Å; P431-T511 PolarHBondContact O-OG1 2.95Å; T432-T511 WeakPolarHBondContact O-CA 3.24Å; L444-T511 HydrophobicContact CD1-CG2 3.76Å; L444-T511 HydrophobicContact CD2-CG2 4.22Å; W458-T511 HydrophobicContact CZ3-CG2 4.33Å; R495-T511 WeakPolarHBondContact CA-O 3.48Å; Y496-T511 PolarHBondContact N-O 2.9Å; Y496-T511 PolarHBondContact O-N 3.32Å; T511-I513 HydrophobicContact CG2-CG1 4.43Å
512	A	86.4	Confident	79.6	Confident	1 Å²	1	53 Å²	53	1%	0.008	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	117.5	175.6	0	0	0	0	0	109.8	T432 H433 L434 R495	T432-A512 PolarHBondContact O-N 3.01Å; H433-A512 WeakPolarHBondContact CA-O 3.39Å; L434-A512 PolarHBondContact N-O 2.91Å; R495-A512 HydrophobicContact CG-CB 4.23Å
513	I	90.3	Very high	77.6	Confident	4 Å²	4	57.5 Å²	57.5	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	120.1	179.4	-55.2	-175.6	0	0	0	109.1	L436 L442 L444 I485 S493 G494 Y496 T511 V515 L519	L436-I513 HydrophobicContact CD1-CG2 3.69Å; L436-I513 HydrophobicContact CG-CG2 4.38Å; L442-I513 HydrophobicContact CD2-CD1 3.55Å; L442-I513 HydrophobicContact CD2-CG1 4.49Å; L444-I513 HydrophobicContact CD1-CD1 4.13Å; I485-I513 HydrophobicContact CD1-CD1 4.02Å; S493-I513 WeakPolarHBondContact CA-O 3.26Å; S493-I513 WeakPolarHBondContact CB-O 3.24Å; G494-I513 PolarHBondContact N-O 3.11Å; G494-I513 PolarHBondContact O-N 2.69Å; Y496-I513 HydrophobicContact CD2-CB 4.33Å; Y496-I513 HydrophobicContact CD2-CD1 3.35Å; Y496-I513 HydrophobicContact CD2-CG1 3.74Å; Y496-I513 HydrophobicContact CE2-CB 4.24Å; Y496-I513 HydrophobicContact CE2-CD1 3.43Å; Y496-I513 VanDerWaalsContact CE2-CD1 3.43Å; Y496-I513 HydrophobicContact CE2-CG1 4.03Å; Y496-I513 HydrophobicContact CG-CD1 4.09Å; T511-I513 HydrophobicContact CG2-CG1 4.43Å; I513-V515 HydrophobicContact CG2-CG2 4.16Å; I513-L519 VanDerWaalsContact O-CD1 3.26Å; I513-L519 WeakPolarHBondContact O-CD1 3.35Å
514	K	89.3	Confident	75.7	Confident	81 Å²	81	58.9 Å²	58.9	35%	0.352	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.5	170	-58	-171.5	177.6	177.4	0	109	L434 S435 L436 T518 L519	L434-K514 PolarHBondContact O-N 3.28Å; S435-K514 WeakPolarHBondContact CA-O 3.3Å; L436-K514 PolarHBondContact N-O 3.14Å; K514-T518 CarbonylContact C-O 3.5Å; K514-T518 VanDerWaalsContact CA-O 3.3Å; K514-T518 WeakPolarHBondContact CA-O 3.44Å; K514-L519 HydrophobicContact CG-CB 4.13Å; K514-L519 HydrophobicContact CG-CD1 4.15Å
515	V	90.6	Very high	74.3	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.1	177.9	-177.4	0	0	0	0	108.8	L436 I438 I488 V490 I513 G517 T518	L436-V515 CarbonylContact O-C 3.47Å; L436-V515 WeakPolarHBondContact O-CA 3.15Å; I438-V515 HydrophobicContact CG1-CG1 3.86Å; I488-V515 HydrophobicContact CG2-CB 4.32Å; I488-V515 HydrophobicContact CG2-CG1 3.8Å; I488-V515 HydrophobicContact CG2-CG2 3.5Å; I488-V515 VanDerWaalsContact CG2-CG2 3.5Å; V490-V515 HydrophobicContact CG2-CG1 4.34Å; I513-V515 HydrophobicContact CG2-CG2 4.16Å; V515-G517 PolarHBondContact O-N 2.79Å; V515-T518 PolarHBondContact N-O 2.91Å; V515-T518 PolarHBondContact O-N 2.95Å; V515-T518 PolarHBondContact O-OG1 3.22Å
516	N	85.4	Confident	73.5	Confident	112 Å²	112	57.3 Å²	57.3	60%	0.599	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	41.8	-176.6	-161.8	21.8	0	0	0	113.4	L436 I438 T518	L436-N516 PolarHBondContact O-N 2.98Å; I438-N516 HydrophobicContact CD1-CB 4.43Å; I438-N516 HydrophobicContact CG1-CB 4.43Å; N516-T518 PolarHBondContact O-N 2.88Å; N516-T518 VanDerWaalsContact O-N 3.16Å
517	G	74.7	Confident	72.8	Confident	69 Å²	69	58.6 Å²	58.6	71%	0.711	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.9	-7.6	-177.3	0	0	0	0	0	115.5	V515	V515-G517 PolarHBondContact O-N 2.79Å
518	T	73.9	Confident	72.7	Confident	57 Å²	57	57.2 Å²	57.2	35%	0.35	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-92.5	134.6	178.2	63.5	0	0	0	0	111.5	V490 K514 V515 N516	V490-T518 WeakPolarHBondContact CG1-OG1 3.38Å; K514-T518 CarbonylContact C-O 3.5Å; K514-T518 VanDerWaalsContact CA-O 3.3Å; K514-T518 WeakPolarHBondContact CA-O 3.44Å; V515-T518 PolarHBondContact N-O 2.91Å; V515-T518 PolarHBondContact O-N 2.95Å; V515-T518 PolarHBondContact O-OG1 3.22Å; N516-T518 PolarHBondContact O-N 2.88Å; N516-T518 VanDerWaalsContact O-N 3.16Å
519	L	71.6	Confident	72.6	Confident	53 Å²	53	58.8 Å²	58.8	28%	0.277	32%	0.317	S	S	.	.			trans	-116.1	105.3	167	-175.2	68	0	0	0	106.4	I513 K514 D521	I513-L519 VanDerWaalsContact O-CD1 3.26Å; I513-L519 WeakPolarHBondContact O-CD1 3.35Å; K514-L519 HydrophobicContact CG-CB 4.13Å; K514-L519 HydrophobicContact CG-CD1 4.15Å; L519-D521 HydrophobicContact CD2-CB 4.28Å; L519-D521 HydrophobicContact CG-CB 4.26Å; L519-D521 PolarHBondContact O-N 3.33Å
520	L	64.3	Low	72.7	Confident	91 Å²	91	58.8 Å²	58.8	48%	0.476	32%	0.321	S	S	.	.			trans	-72.9	74.8	167.8	-65.3	171.6	0	0	0	108.1	V490 S493 N522	V490-L520 HydrophobicContact CG1-CD1 4.25Å; V490-L520 VanDerWaalsContact O-CD1 3.24Å; V490-L520 WeakPolarHBondContact O-CD1 3.35Å; S493-L520 VanDerWaalsContact OG-CB 3.24Å; S493-L520 WeakPolarHBondContact OG-CB 3.28Å; S493-L520 VanDerWaalsContact OG-CG 3.23Å; S493-L520 WeakPolarHBondContact OG-CG 3.25Å; S493-L520 PolarHBondContact OG-N 2.99Å; L520-N522 PolarHBondContact O-N 2.83Å; L520-N522 VanDerWaalsContact O-N 3.09Å
521	D	53.6	Low	72.8	Confident	70 Å²	70	62.2 Å²	62.2	37%	0.374	33%	0.332	S	S	.	.			trans	-74.8	100.5	168	-141.6	8.2	0	0	0	104.9	R495 L519 T523	R495-D521 IonicContact NE-OD1 3.71Å; L519-D521 HydrophobicContact CD2-CB 4.28Å; L519-D521 HydrophobicContact CG-CB 4.26Å; L519-D521 PolarHBondContact O-N 3.33Å; D521-T523 HydrophobicContact CB-CG2 3.99Å; D521-T523 PolarHBondContact O-N 3.34Å; D521-T523 PolarHBondContact O-OG1 3.13Å
522	N	50.2	Low	72.6	Confident	113 Å²	113	66.9 Å²	66.9	60%	0.604	35%	0.354	S	S	*	.			trans	-68.5	73.6	176.8	-136.7	9.2	0	0	0	107.4	L520 Q524	L520-N522 PolarHBondContact O-N 2.83Å; L520-N522 VanDerWaalsContact O-N 3.09Å; N522-Q524 PolarHBondContact O-N 3.29Å; N522-Q524 VanDerWaalsContact O-N 3.08Å
523	T	45.3	Very low	72.6	Confident	110 Å²	110	68.4 Å²	68.4	68%	0.675	36%	0.364	S	S	*	.			trans	-70.9	-2.1	-168.2	38.6	0	0	0	0	113.4	D521 L525	D521-T523 HydrophobicContact CB-CG2 3.99Å; D521-T523 PolarHBondContact O-N 3.34Å; D521-T523 PolarHBondContact O-OG1 3.13Å; T523-L525 PolarHBondContact O-N 2.76Å
524	Q	48.1	Very low	72.4	Confident	114 Å²	114	72.3 Å²	72.3	53%	0.533	38%	0.382	S	S	.	.			trans	-89.4	80	163.4	-74.8	-172.9	-21.1	0	0	109.8	N522 L526	N522-Q524 PolarHBondContact O-N 3.29Å; N522-Q524 VanDerWaalsContact O-N 3.08Å; Q524-L526 PolarHBondContact O-N 3.13Å
525	L	58.8	Low	72.1	Confident	64 Å²	64	70.1 Å²	70.1	34%	0.335	38%	0.377	S	S	.	.	S	Bend	trans	-70	-18.6	179.3	-67.2	155.5	0	0	0	112.4	T523 S545	T523-L525 PolarHBondContact O-N 2.76Å; L525-S545 WeakPolarHBondContact CA-O 3.43Å; L525-S545 VanDerWaalsContact CD2-O 3.29Å; L525-S545 WeakPolarHBondContact CD2-O 2.95Å; L525-S545 PolarHBondContact O-N 3.08Å; L525-S545 VanDerWaalsContact O-N 3.14Å
526	L	63.1	Low	71.7	Confident	11 Å²	11	74.5 Å²	74.5	6%	0.058	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.3	118.7	174.4	-178.4	69	0	0	0	109.8	Q524 W542 I544 L595 V597 S607	Q524-L526 PolarHBondContact O-N 3.13Å; L526-W542 HydrophobicContact CD1-CB 4.47Å; L526-I544 HydrophobicContact CD1-CD1 4.31Å; L526-I544 HydrophobicContact CD1-CG1 3.72Å; L526-L595 HydrophobicContact CD1-CD2 3.85Å; L526-L595 HydrophobicContact CD2-CB 4.25Å; L526-L595 HydrophobicContact CD2-CD2 4.14Å; L526-L595 HydrophobicContact CD2-CG 4.04Å; L526-L595 WeakPolarHBondContact CD2-O 2.94Å; L526-L595 HydrophobicContact CG-CD2 4.34Å; L526-V597 HydrophobicContact CD1-CG2 4.31Å; L526-V597 HydrophobicContact CD2-CG2 3.97Å; L526-S607 WeakPolarHBondContact O-CB 3.4Å; L526-S607 PolarHBondContact O-OG 2.62Å
527	K	66.8	Low	71.6	Confident	81 Å²	81	69.7 Å²	69.7	35%	0.352	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	117.7	174.8	-163.3	160.5	-176.6	164.4	0	111	Y529 W542 K543	K527-Y529 HydrophobicContact CB-CE2 3.98Å; K527-Y529 HydrophobicContact CD-CE1 3.92Å; K527-Y529 WeakPolarHBondContact CD-OH 3.44Å; K527-Y529 HydrophobicContact CG-CE1 3.87Å; K527-Y529 HydrophobicContact CG-CE2 3.97Å; K527-Y529 WeakPolarHBondContact O-CD2 3.35Å; K527-Y529 VanDerWaalsContact O-CE2 3.29Å; K527-Y529 WeakPolarHBondContact O-CE2 3.05Å; K527-W542 VanDerWaalsContact O-CA 3.24Å; K527-W542 WeakPolarHBondContact O-CA 3.45Å; K527-W542 WeakPolarHBondContact O-CB 3.38Å; K527-K543 PolarHBondContact N-O 3.28Å; K527-K543 PolarHBondContact O-N 3.21Å
528	I	79.8	Confident	72.1	Confident	10 Å²	10	66.4 Å²	66.4	5%	0.051	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	140.7	173.7	-170.3	170.1	0	0	0	110.1	V540 S541 W542 M560 V593 L595 S607 V609	I528-V540 HydrophobicContact CD1-CB 3.97Å; I528-V540 HydrophobicContact CD1-CG1 4.27Å; I528-V540 HydrophobicContact CD1-CG2 4.1Å; I528-V540 HydrophobicContact CG1-CB 4.1Å; I528-S541 CarbonylContact C-O 3.26Å; I528-S541 WeakPolarHBondContact CA-O 3.29Å; I528-W542 HydrophobicContact CB-CB 4.42Å; I528-M560 HydrophobicContact CD1-CE 3.98Å; I528-M560 HydrophobicContact CD1-SD 3.92Å; I528-V593 HydrophobicContact CD1-CG1 3.98Å; I528-L595 HydrophobicContact CD1-CB 4.18Å; I528-S607 PolarHBondContact N-OG 2.65Å; I528-V609 HydrophobicContact CD1-CG1 4.34Å; I528-V609 HydrophobicContact CG1-CG1 4.26Å; I528-V609 HydrophobicContact CG2-CB 4.01Å; I528-V609 HydrophobicContact CG2-CG1 3.9Å
529	Y	81.9	Confident	72.6	Confident	95 Å²	95	65.4 Å²	65.4	37%	0.373	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	143.7	-180	-51.9	-90.2	0	0	0	109.5	K527 V540 S541 K543	K527-Y529 HydrophobicContact CB-CE2 3.98Å; K527-Y529 HydrophobicContact CD-CE1 3.92Å; K527-Y529 WeakPolarHBondContact CD-OH 3.44Å; K527-Y529 HydrophobicContact CG-CE1 3.87Å; K527-Y529 HydrophobicContact CG-CE2 3.97Å; K527-Y529 WeakPolarHBondContact O-CD2 3.35Å; K527-Y529 VanDerWaalsContact O-CE2 3.29Å; K527-Y529 WeakPolarHBondContact O-CE2 3.05Å; Y529-V540 CarbonylContact O-C 3.21Å; Y529-V540 WeakPolarHBondContact O-CA 2.9Å; Y529-S541 PolarHBondContact N-O 2.91Å; Y529-S541 PolarHBondContact O-N 2.76Å; Y529-S541 VanDerWaalsContact O-O 3.12Å; Y529-K543 HydrophobicContact CE2-CB 4.24Å; Y529-K543 HydrophobicContact CE2-CD 4.39Å; Y529-K543 HydrophobicContact CE2-CG 4.14Å
530	V	84.8	Confident	73.2	Confident	52 Å²	52	62.9 Å²	62.9	32%	0.315	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	120.3	171.4	-178.8	0	0	0	0	108.3	T533 I538 V540 V609 V611	V530-T533 HydrophobicContact CG1-CG2 3.51Å; V530-I538 HydrophobicContact CG1-CG2 4.18Å; V530-V540 HydrophobicContact CG2-CG1 4.47Å; V530-V609 HydrophobicContact CG2-CG1 3.89Å; V530-V609 HydrophobicContact CG2-CG2 3.81Å; V530-V611 HydrophobicContact CG1-CG2 3.92Å; V530-V611 HydrophobicContact CG2-CB 3.93Å; V530-V611 HydrophobicContact CG2-CG1 4.46Å; V530-V611 HydrophobicContact CG2-CG2 3.98Å
531	K	83.2	Confident	74.1	Confident	118 Å²	118	59.7 Å²	59.7	51%	0.513	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	-40.8	-179.2	-169.7	174	174.4	-175.2	0	111.5	L539 E579	K531-L539 HydrophobicContact CB-CD2 4.19Å; K531-L539 HydrophobicContact CB-CG 4.21Å; K531-L539 HydrophobicContact CD-CD2 3.9Å; K531-L539 HydrophobicContact CG-CD2 4.2Å; K531-L539 PolarHBondContact N-O 2.83Å; K531-E579 IonicContact NZ-OE1 2.62Å; K531-E579 PolarHBondContact NZ-OE1 3.1Å; K531-E579 IonicContact NZ-OE2 2.76Å; K531-E579 PolarHBondContact NZ-OE2 3.26Å
532	Q	83.6	Confident	75.3	Confident	98 Å²	98	56.7 Å²	56.7	46%	0.458	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151	143.8	178.6	-177.9	169.9	-14.8	0	0	111.3	E534 L539	Q532-E534 HydrophobicContact CG-CG 4.37Å; Q532-E534 PolarHBondContact NE2-OE1 3.09Å; Q532-L539 HydrophobicContact CB-CB 4.06Å; Q532-L539 HydrophobicContact CB-CD2 4.46Å; Q532-L539 PolarHBondContact N-O 3.16Å; Q532-L539 PolarHBondContact O-N 3.09Å
533	T	85.1	Confident	76.1	Confident	34 Å²	34	58.1 Å²	58.1	21%	0.209	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	132.3	173.7	57.5	0	0	0	0	110.7	V530 V611 K614	V530-T533 HydrophobicContact CG1-CG2 3.51Å; T533-V611 HydrophobicContact CG2-CG2 3.41Å; T533-V611 VanDerWaalsContact CG2-CG2 3.41Å; T533-K614 VanDerWaalsContact O-CD 3.32Å; T533-K614 WeakPolarHBondContact O-CD 3.23Å; T533-K614 WeakPolarHBondContact O-CE 3.43Å; T533-K614 PolarHBondContact O-NZ 3.32Å
534	E	87.3	Confident	77	Confident	86 Å²	86	55.9 Å²	55.9	40%	0.402	27%	0.27	S	S	.	.			trans	-123.9	-176	176	-56.8	-173.2	161.9	0	0	110.4	Q532 H536 S537 T613 K614	Q532-E534 HydrophobicContact CG-CG 4.37Å; Q532-E534 PolarHBondContact NE2-OE1 3.09Å; E534-H536 VanDerWaalsContact C-N 3.33Å; E534-S537 WeakPolarHBondContact CB-OG 3.48Å; E534-S537 WeakPolarHBondContact CG-OG 3.29Å; E534-S537 PolarHBondContact N-O 3.14Å; E534-S537 PolarHBondContact OE2-OG 3.05Å; E534-T613 WeakPolarHBondContact O-CB 3.47Å; E534-K614 PolarHBondContact O-N 2.84Å
535	S	82.4	Confident	77.3	Confident	35 Å²	35	52.7 Å²	52.7	25%	0.245	26%	0.261	C	S	.	.	S	Bend	trans	-70.7	-28.2	-179.5	55.3	0	0	0	0	113.3	P587 K614	S535-P587 WeakPolarHBondContact O-CA 3.24Å; S535-P587 WeakPolarHBondContact O-CG 2.89Å; S535-K614 WeakPolarHBondContact CA-O 3.4Å
536	H	82.2	Confident	77	Confident	91 Å²	91	51.2 Å²	51.2	42%	0.421	26%	0.255	S	S	.	.	S	Bend	trans	-133.6	8	-178.5	-59.9	84.9	0	0	0	113.7	E534 H584 L585 P587	E534-H536 VanDerWaalsContact C-N 3.33Å; H536-H584 PolarHBondContact O-N 3.47Å; H536-H584 VanDerWaalsContact O-N 3.17Å; H536-L585 WeakPolarHBondContact CA-O 3.43Å; H536-L585 PolarHBondContact CD2-O 3.31Å; H536-L585 PolarHBondContact O-N 2.97Å; H536-P587 VanDerWaalsContact NE2-CG 3.29Å; H536-P587 WeakPolarHBondContact NE2-CG 3.38Å
537	S	83.3	Confident	76.3	Confident	11 Å²	11	51.7 Å²	51.7	8%	0.077	26%	0.258	C	S	.	.			trans	-143.2	151.8	-177.7	81.7	0	0	0	0	112.6	E534 L582	E534-S537 WeakPolarHBondContact CB-OG 3.48Å; E534-S537 WeakPolarHBondContact CG-OG 3.29Å; E534-S537 PolarHBondContact N-O 3.14Å; E534-S537 PolarHBondContact OE2-OG 3.05Å; S537-L582 CarbonylContact C-O 3.01Å; S537-L582 WeakPolarHBondContact CA-O 3.32Å; S537-L582 WeakPolarHBondContact CB-O 3.11Å
538	I	84.8	Confident	75.2	Confident	0 Å²	0	51.2 Å²	51.2	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	120.1	174.2	-60.4	172.3	0	0	0	108.2	V530 V540 L582 L585 Y591 V611 T613	V530-I538 HydrophobicContact CG1-CG2 4.18Å; I538-V540 HydrophobicContact CG2-CG1 3.94Å; I538-L582 HydrophobicContact CB-CB 4.43Å; I538-L582 HydrophobicContact CB-CD1 4.42Å; I538-L582 PolarHBondContact N-O 3.49Å; I538-L582 WeakPolarHBondContact O-CB 3.49Å; I538-L582 PolarHBondContact O-N 2.84Å; I538-L585 HydrophobicContact CB-CD1 4.02Å; I538-L585 HydrophobicContact CD1-CD1 3.47Å; I538-L585 VanDerWaalsContact CD1-CD1 3.47Å; I538-L585 HydrophobicContact CG1-CD1 3.53Å; I538-Y591 HydrophobicContact CD1-CD2 4.22Å; I538-V611 HydrophobicContact CD1-CB 4.25Å; I538-V611 HydrophobicContact CD1-CG1 3.53Å; I538-V611 HydrophobicContact CD1-CG2 3.81Å; I538-V611 HydrophobicContact CG1-CG2 4.3Å; I538-V611 HydrophobicContact CG2-CG1 4.18Å; I538-V611 HydrophobicContact CG2-CG2 4Å; I538-T613 HydrophobicContact CD1-CG2 3.84Å; I538-T613 HydrophobicContact CG1-CG2 3.96Å
539	L	84.6	Confident	73.7	Confident	36 Å²	36	53.9 Å²	53.9	19%	0.188	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	116.7	172.8	-175.2	66.5	0	0	0	109.4	K531 Q532 E579 N581	K531-L539 HydrophobicContact CB-CD2 4.19Å; K531-L539 HydrophobicContact CB-CG 4.21Å; K531-L539 HydrophobicContact CD-CD2 3.9Å; K531-L539 HydrophobicContact CG-CD2 4.2Å; K531-L539 PolarHBondContact N-O 2.83Å; Q532-L539 HydrophobicContact CB-CB 4.06Å; Q532-L539 HydrophobicContact CB-CD2 4.46Å; Q532-L539 PolarHBondContact N-O 3.16Å; Q532-L539 PolarHBondContact O-N 3.09Å; L539-E579 HydrophobicContact CD1-CB 4.48Å; L539-N581 HydrophobicContact CD1-CB 3.98Å
540	V	85.3	Confident	71.6	Confident	0 Å²	0	52.5 Å²	52.5	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	148	174.7	-66	0	0	0	0	110.7	I528 Y529 V530 I538 W542 M560 E579 Y580 L582 V593	I528-V540 HydrophobicContact CD1-CB 3.97Å; I528-V540 HydrophobicContact CD1-CG1 4.27Å; I528-V540 HydrophobicContact CD1-CG2 4.1Å; I528-V540 HydrophobicContact CG1-CB 4.1Å; Y529-V540 CarbonylContact O-C 3.21Å; Y529-V540 WeakPolarHBondContact O-CA 2.9Å; V530-V540 HydrophobicContact CG2-CG1 4.47Å; I538-V540 HydrophobicContact CG2-CG1 3.94Å; V540-W542 HydrophobicContact CG2-CZ3 4.39Å; V540-M560 HydrophobicContact CG2-CE 3.62Å; V540-E579 CarbonylContact O-C 3.5Å; V540-E579 VanDerWaalsContact O-CA 3.29Å; V540-E579 WeakPolarHBondContact O-CA 3.34Å; V540-Y580 WeakPolarHBondContact CG2-O 3.34Å; V540-Y580 PolarHBondContact N-O 2.87Å; V540-Y580 PolarHBondContact O-N 2.83Å; V540-L582 HydrophobicContact CG1-CD1 4.3Å; V540-L582 HydrophobicContact CG2-CD1 4.26Å; V540-V593 HydrophobicContact CG1-CG1 4.2Å
541	S	82.8	Confident	69.4	Low	24 Å²	24	53.1 Å²	53.1	17%	0.168	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	153.3	174.1	63.2	0	0	0	0	109.4	I528 Y529 H578	I528-S541 CarbonylContact C-O 3.26Å; I528-S541 WeakPolarHBondContact CA-O 3.29Å; Y529-S541 PolarHBondContact N-O 2.91Å; Y529-S541 PolarHBondContact O-N 2.76Å; Y529-S541 VanDerWaalsContact O-O 3.12Å; S541-H578 VanDerWaalsContact CA-O 3.24Å; S541-H578 WeakPolarHBondContact CA-O 3.22Å
542	W	78.2	Confident	67.5	Low	7 Å²	7	54.1 Å²	54.1	3%	0.027	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	151.1	176.9	55.7	92.2	0	0	0	112	L526 K527 I528 V540 M560 V573 V577 H578 L595	L526-W542 HydrophobicContact CD1-CB 4.47Å; K527-W542 VanDerWaalsContact O-CA 3.24Å; K527-W542 WeakPolarHBondContact O-CA 3.45Å; K527-W542 WeakPolarHBondContact O-CB 3.38Å; I528-W542 HydrophobicContact CB-CB 4.42Å; V540-W542 HydrophobicContact CG2-CZ3 4.39Å; W542-M560 HydrophobicContact CE3-CE 4.2Å; W542-M560 HydrophobicContact CH2-CE 4.42Å; W542-M560 HydrophobicContact CZ3-CE 3.81Å; W542-V573 HydrophobicContact CH2-CG1 3.9Å; W542-V573 HydrophobicContact CZ2-CG1 4.1Å; W542-V577 HydrophobicContact CH2-CG1 4.34Å; W542-V577 WeakPolarHBondContact CZ2-O 3.48Å; W542-H578 PolarHBondContact N-O 3.4Å; W542-H578 VanDerWaalsContact N-O 3.09Å; W542-L595 HydrophobicContact CB-CD2 3.84Å; W542-L595 HydrophobicContact CD2-CD2 3.43Å; W542-L595 VanDerWaalsContact CD2-CD2 3.43Å; W542-L595 HydrophobicContact CE3-CD2 3.97Å; W542-L595 HydrophobicContact CG-CD2 3.36Å; W542-L595 HydrophobicContact CZ2-CD2 4.49Å
543	K	67.6	Low	65.6	Low	143 Å²	143	52.2 Å²	52.2	62%	0.622	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115	129.4	170	-65.7	-173.3	177.1	-174.8	0	108.5	K527 Y529	K527-K543 PolarHBondContact N-O 3.28Å; K527-K543 PolarHBondContact O-N 3.21Å; Y529-K543 HydrophobicContact CE2-CB 4.24Å; Y529-K543 HydrophobicContact CE2-CD 4.39Å; Y529-K543 HydrophobicContact CE2-CG 4.14Å
544	I	62.8	Low	63.6	Low	63 Å²	63	58.5 Å²	58.5	32%	0.323	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.7	175.3	-50.9	-177.6	0	0	0	106.2	L526	L526-I544 HydrophobicContact CD1-CD1 4.31Å; L526-I544 HydrophobicContact CD1-CG1 3.72Å
545	S	56.3	Low	61.3	Low	48 Å²	48	66.2 Å²	66.2	34%	0.336	34%	0.343	S	S	.	.			trans	-96.2	97.7	172.8	-68.4	0	0	0	0	106.8	L525	L525-S545 WeakPolarHBondContact CA-O 3.43Å; L525-S545 VanDerWaalsContact CD2-O 3.29Å; L525-S545 WeakPolarHBondContact CD2-O 2.95Å; L525-S545 PolarHBondContact O-N 3.08Å; L525-S545 VanDerWaalsContact O-N 3.14Å
546	S	52.1	Low	59.7	Low	32 Å²	32	65.2 Å²	65.2	22%	0.224	34%	0.336	C	S	.	.			trans	-149.8	128.1	166.2	82.3	0	0	0	0	113.8	V548 M549	S546-V548 PolarHBondContact O-N 3.01Å; S546-V548 VanDerWaalsContact O-N 3.13Å; S546-M549 VanDerWaalsContact OG-CB 3.25Å; S546-M549 WeakPolarHBondContact OG-CB 3.29Å; S546-M549 WeakPolarHBondContact OG-CG 3.46Å
547	N	47.4	Very low	58.3	Low	22 Å²	22	63.3 Å²	63.3	12%	0.118	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	21.6	175.3	-50.5	-32.1	0	0	0	112.9	V459 T460 P461 G463 R495 T497	V459-N547 HydrophobicContact CG1-CB 4.07Å; T460-N547 PolarHBondContact O-ND2 3.14Å; T460-N547 PolarHBondContact O-OD1 3.16Å; P461-N547 WeakPolarHBondContact CA-ND2 3.5Å; P461-N547 PolarHBondContact O-ND2 2.94Å; P461-N547 PolarHBondContact O-OD1 3.46Å; G463-N547 VanDerWaalsContact CA-OD1 3.32Å; G463-N547 WeakPolarHBondContact CA-OD1 3.27Å; G463-N547 PolarHBondContact N-OD1 2.79Å; R495-N547 PolarHBondContact O-ND2 2.98Å; T497-N547 WeakPolarHBondContact CB-O 3.24Å; T497-N547 PolarHBondContact OG1-O 2.91Å
548	V	43.2	Very low	57.1	Low	70 Å²	70	63 Å²	63	42%	0.424	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-2.5	-177.6	-173.1	0	0	0	0	111.7	S546	S546-V548 PolarHBondContact O-N 3.01Å; S546-V548 VanDerWaalsContact O-N 3.13Å
549	M	48.2	Very low	56	Low	67 Å²	67	65 Å²	65	33%	0.33	34%	0.343	S	S	.	.			trans	-121.2	41.8	-172	-64	-91.2	-89.1	0	0	113.1	S546 L553 V597	S546-M549 VanDerWaalsContact OG-CB 3.25Å; S546-M549 WeakPolarHBondContact OG-CB 3.29Å; S546-M549 WeakPolarHBondContact OG-CG 3.46Å; M549-L553 HydrophobicContact CE-CD1 3.59Å; M549-L553 HydrophobicContact SD-CD1 3.62Å; M549-V597 HydrophobicContact CE-CG1 4.44Å
550	A	39.1	Very low	55	Low	66 Å²	66	63.3 Å²	63.3	55%	0.545	33%	0.334	S	S	.	.			trans	-107.7	8.5	173.1	0	0	0	0	0	113.7
551	S	38.2	Very low	54.5	Low	65 Å²	65	66.7 Å²	66.7	46%	0.455	35%	0.349	S	S	.	.	S	Bend	trans	-100.5	85.8	167.5	64	0	0	0	0	110
552	N	43.4	Very low	53.9	Low	138 Å²	138	66.1 Å²	66.1	74%	0.738	34%	0.344	S	S	*	.			trans	50.2	72.5	149.5	-133.8	0.3	0	0	0	117	K554	N552-K554 PolarHBondContact O-N 2.75Å
553	L	43.4	Very low	53.5	Low	58 Å²	58	67.9 Å²	67.9	30%	0.304	35%	0.354	S	S	.	.			trans	-94	77.3	166.1	-91.7	152.4	0	0	0	110.6	M549 W555 S556	M549-L553 HydrophobicContact CE-CD1 3.59Å; M549-L553 HydrophobicContact SD-CD1 3.62Å; L553-W555 PolarHBondContact O-N 2.87Å; L553-S556 WeakPolarHBondContact CB-OG 3.49Å; L553-S556 WeakPolarHBondContact CD2-OG 3.18Å; L553-S556 WeakPolarHBondContact CG-OG 3.48Å
554	K	42.8	Very low	53.8	Low	167 Å²	167	62 Å²	62	73%	0.726	33%	0.329	S	S	*	.	S	Bend	trans	-71.1	-2.6	163.7	-75.9	-170.3	176.2	-175.9	0	113.1	N552	N552-K554 PolarHBondContact O-N 2.75Å
555	W	39.6	Very low	54	Low	247 Å²	247	64.8 Å²	64.8	94%	0.936	35%	0.352	S	S	*	.	S	Bend	trans	-144.2	25.3	-169.6	-56.8	83.3	0	0	0	116.3	L553	L553-W555 PolarHBondContact O-N 2.87Å
556	S	47.8	Very low	54.1	Low	14 Å²	14	70.2 Å²	70.2	10%	0.098	37%	0.372	C	S	.	.			trans	-89.4	135.6	159.5	33.7	0	0	0	0	109.4	L553 V575	L553-S556 WeakPolarHBondContact CB-OG 3.49Å; L553-S556 WeakPolarHBondContact CD2-OG 3.18Å; L553-S556 WeakPolarHBondContact CG-OG 3.48Å; S556-V575 WeakPolarHBondContact O-CG2 3.45Å; S556-V575 WeakPolarHBondContact OG-CG2 3.42Å
557	S	53.5	Low	54.7	Low	52 Å²	52	72.8 Å²	72.8	36%	0.364	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	119.6	167	62.5	0	0	0	0	107.5
558	A	57.3	Low	55.8	Low	3 Å²	3	75.7 Å²	75.7	3%	0.025	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	134.1	170.1	0	0	0	0	0	108.5	R572 V573 L595 T596 V597	A558-R572 CarbonylContact O-C 3.52Å; A558-R572 WeakPolarHBondContact O-CA 3.09Å; A558-V573 PolarHBondContact N-O 3.42Å; A558-V573 PolarHBondContact O-N 2.88Å; A558-L595 HydrophobicContact CB-CD1 3.7Å; A558-T596 CarbonylContact C-O 3.25Å; A558-T596 WeakPolarHBondContact CA-O 3.44Å; A558-V597 HydrophobicContact CB-CG2 3.99Å
559	T	61.9	Low	57	Low	42 Å²	42	78.7 Å²	78.7	26%	0.258	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	114.4	178.5	-53.8	0	0	0	0	109.2	T570 A571 T596	T559-T570 HydrophobicContact CG2-CG2 4.46Å; T559-A571 CarbonylContact C-O 3.43Å; T559-A571 WeakPolarHBondContact CA-O 3.44Å; T559-T596 PolarHBondContact N-O 2.9Å; T559-T596 PolarHBondContact O-N 2.82Å
560	M	65.1	Low	58.3	Low	1 Å²	1	79.5 Å²	79.5	1%	0.005	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	120.8	172.5	-168.7	71.8	76.4	0	0	108.6	I528 V540 W542 T570 A571 V573 L582 V593 C594 L595	I528-M560 HydrophobicContact CD1-CE 3.98Å; I528-M560 HydrophobicContact CD1-SD 3.92Å; V540-M560 HydrophobicContact CG2-CE 3.62Å; W542-M560 HydrophobicContact CE3-CE 4.2Å; W542-M560 HydrophobicContact CH2-CE 4.42Å; W542-M560 HydrophobicContact CZ3-CE 3.81Å; M560-T570 CarbonylContact O-C 3.5Å; M560-T570 WeakPolarHBondContact O-CA 3.36Å; M560-A571 PolarHBondContact N-O 2.83Å; M560-A571 PolarHBondContact O-N 2.8Å; M560-V573 HydrophobicContact CB-CG2 4.33Å; M560-L582 HydrophobicContact CG-CD2 4.06Å; M560-V593 HydrophobicContact CG-CG1 4.19Å; M560-V593 HydrophobicContact SD-CG1 3.48Å; M560-V593 WeakPolarHBondContact SD-CG1 3.07Å; M560-C594 CarbonylContact C-O 3.57Å; M560-C594 WeakPolarHBondContact CA-O 3.38Å; M560-L595 HydrophobicContact CE-CB 4.37Å; M560-L595 HydrophobicContact CE-CD1 3.83Å; M560-L595 HydrophobicContact SD-CB 4.08Å; M560-L595 HydrophobicContact SD-CD1 4.17Å
561	K	74.3	Confident	59.7	Low	71 Å²	71	76.7 Å²	76.7	31%	0.309	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	127.9	174	-174.6	-174.9	176.5	-153.1	0	109	D563 T568 Y569 T570 C594	K561-D563 WeakPolarHBondContact CE-OD2 3.38Å; K561-D563 IonicContact NZ-OD2 2.69Å; K561-D563 PolarHBondContact NZ-OD2 3.39Å; K561-T568 HydrophobicContact CD-CG2 4.36Å; K561-T568 HydrophobicContact CG-CG2 4.22Å; K561-Y569 CarbonylContact C-O 3.48Å; K561-Y569 WeakPolarHBondContact CA-O 3.38Å; K561-T570 HydrophobicContact CB-CG2 4.01Å; K561-T570 HydrophobicContact CG-CG2 3.87Å; K561-C594 HydrophobicContact CB-CB 4.44Å; K561-C594 PolarHBondContact N-O 2.87Å; K561-C594 PolarHBondContact O-N 3.18Å
562	I	70.3	Confident	61.1	Low	12 Å²	12	83.2 Å²	83.2	6%	0.062	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	129.4	167.4	-48	177.5	0	0	0	107	T568 Y569 L582 L585 Y591 E592	I562-T568 VanDerWaalsContact O-CA 3.28Å; I562-T568 WeakPolarHBondContact O-CA 3.46Å; I562-T568 WeakPolarHBondContact O-CG2 3.22Å; I562-Y569 HydrophobicContact CD1-CD1 4.41Å; I562-Y569 PolarHBondContact N-O 2.79Å; I562-Y569 PolarHBondContact O-N 2.77Å; I562-L582 HydrophobicContact CD1-CB 4.12Å; I562-L582 HydrophobicContact CD1-CD1 4.15Å; I562-L582 HydrophobicContact CD1-CD2 3.5Å; I562-L582 HydrophobicContact CD1-CG 4.11Å; I562-L582 HydrophobicContact CG1-CD1 4.34Å; I562-L582 HydrophobicContact CG1-CD2 3.92Å; I562-L585 HydrophobicContact CD1-CD2 4.08Å; I562-Y591 HydrophobicContact CG2-CD1 3.51Å; I562-Y591 HydrophobicContact CG2-CE1 4.34Å; I562-Y591 HydrophobicContact CG2-CG 4.01Å; I562-E592 CarbonylContact C-O 3.41Å; I562-E592 WeakPolarHBondContact CA-O 3.39Å
563	D	69.8	Low	62.2	Low	45 Å²	45	76.7 Å²	76.7	24%	0.241	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	132.7	175.1	-138.1	-7.1	0	0	0	111.4	K561 T568 E592	K561-D563 WeakPolarHBondContact CE-OD2 3.38Å; K561-D563 IonicContact NZ-OD2 2.69Å; K561-D563 PolarHBondContact NZ-OD2 3.39Å; D563-T568 WeakPolarHBondContact OD1-CG2 3.47Å; D563-T568 PolarHBondContact OD1-OG1 3.49Å; D563-E592 HydrophobicContact CB-CB 4.46Å; D563-E592 PolarHBondContact N-O 3.33Å; D563-E592 PolarHBondContact O-N 2.77Å
564	N	72.8	Confident	63.1	Low	19 Å²	19	77.7 Å²	77.7	10%	0.102	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	149.1	168.9	171	-56.9	0	0	0	106.8	H566 I567 T589 E590 Y591	N564-H566 PolarHBondContact O-N 2.69Å; N564-H566 PolarHBondContact OD1-N 3.4Å; N564-I567 PolarHBondContact N-O 3.26Å; N564-I567 PolarHBondContact O-N 2.81Å; N564-I567 VanDerWaalsContact O-N 3.08Å; N564-T589 WeakPolarHBondContact ND2-CG2 3.38Å; N564-E590 PolarHBondContact ND2-O 2.83Å; N564-Y591 HydrophobicContact CB-CD1 3.69Å; N564-Y591 HydrophobicContact CB-CE1 3.82Å
565	P	67.1	Low	63.8	Low	122 Å²	122	71.5 Å²	71.5	79%	0.792	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47	-17.3	177.6	13.4	-29.4	0	0	0	117.2
566	H	58.5	Low	64.5	Low	162 Å²	162	66 Å²	66	75%	0.75	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.5	-20.6	177.8	-60.3	-56.3	0	0	0	115.6	N564	N564-H566 PolarHBondContact O-N 2.69Å; N564-H566 PolarHBondContact OD1-N 3.4Å
567	I	64.3	Low	65.3	Low	85 Å²	85	67.8 Å²	67.8	44%	0.436	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.1	127.2	-173.3	-56.1	177.4	0	0	0	109.9	N564	N564-I567 PolarHBondContact N-O 3.26Å; N564-I567 PolarHBondContact O-N 2.81Å; N564-I567 VanDerWaalsContact O-N 3.08Å
568	T	71.4	Confident	66	Low	83 Å²	83	70.1 Å²	70.1	51%	0.509	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	127.9	171.1	-47.5	0	0	0	0	109.4	K561 I562 D563	K561-T568 HydrophobicContact CD-CG2 4.36Å; K561-T568 HydrophobicContact CG-CG2 4.22Å; I562-T568 VanDerWaalsContact O-CA 3.28Å; I562-T568 WeakPolarHBondContact O-CA 3.46Å; I562-T568 WeakPolarHBondContact O-CG2 3.22Å; D563-T568 WeakPolarHBondContact OD1-CG2 3.47Å; D563-T568 PolarHBondContact OD1-OG1 3.49Å
569	Y	69.3	Low	67.1	Low	134 Å²	134	74.2 Å²	74.2	53%	0.525	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	145.8	179.8	176.9	-106.4	0	0	0	111.4	K561 I562 A571	K561-Y569 CarbonylContact C-O 3.48Å; K561-Y569 WeakPolarHBondContact CA-O 3.38Å; I562-Y569 HydrophobicContact CD1-CD1 4.41Å; I562-Y569 PolarHBondContact N-O 2.79Å; I562-Y569 PolarHBondContact O-N 2.77Å; Y569-A571 HydrophobicContact CE1-CB 3.79Å
570	T	74.6	Confident	67.9	Low	83 Å²	83	75.5 Å²	75.5	51%	0.509	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	131.4	176.2	51.7	0	0	0	0	111.5	T559 M560 K561	T559-T570 HydrophobicContact CG2-CG2 4.46Å; M560-T570 CarbonylContact O-C 3.5Å; M560-T570 WeakPolarHBondContact O-CA 3.36Å; K561-T570 HydrophobicContact CB-CG2 4.01Å; K561-T570 HydrophobicContact CG-CG2 3.87Å
571	A	68.6	Low	68.7	Low	7 Å²	7	79 Å²	79	6%	0.058	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	143.1	174.4	0	0	0	0	0	110.6	T559 M560 Y569 Y580	T559-A571 CarbonylContact C-O 3.43Å; T559-A571 WeakPolarHBondContact CA-O 3.44Å; M560-A571 PolarHBondContact N-O 2.83Å; M560-A571 PolarHBondContact O-N 2.8Å; Y569-A571 HydrophobicContact CE1-CB 3.79Å; A571-Y580 HydrophobicContact CB-CE1 4.49Å
572	R	67.5	Low	69	Low	202 Å²	202	75.9 Å²	75.9	76%	0.762	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.8	126.1	169.4	-71.1	-175.3	-175.3	158.7	1.6	109.1	A558	A558-R572 CarbonylContact O-C 3.52Å; A558-R572 WeakPolarHBondContact O-CA 3.09Å
573	V	67.2	Low	69.5	Low	1 Å²	1	78.9 Å²	78.9	1%	0.006	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	132.9	-178.4	-169.9	0	0	0	0	109.3	W542 A558 M560 V577 Y580	W542-V573 HydrophobicContact CH2-CG1 3.9Å; W542-V573 HydrophobicContact CZ2-CG1 4.1Å; A558-V573 PolarHBondContact N-O 3.42Å; A558-V573 PolarHBondContact O-N 2.88Å; M560-V573 HydrophobicContact CB-CG2 4.33Å; V573-V577 HydrophobicContact CG1-CB 3.87Å; V573-V577 HydrophobicContact CG1-CG1 3.9Å; V573-Y580 HydrophobicContact CG1-CD2 3.94Å; V573-Y580 HydrophobicContact CG2-CD2 3.77Å; V573-Y580 HydrophobicContact CG2-CE2 3.94Å; V573-Y580 HydrophobicContact CG2-CG 4.1Å
574	P	61.4	Low	69.8	Low	80 Å²	80	85.2 Å²	85.2	52%	0.519	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.7	146.9	172.1	-20.4	32.1	0	0	0	111.7	D576 V577	P574-D576 VanDerWaalsContact C-N 3.29Å; P574-D576 PolarHBondContact O-N 2.98Å; P574-V577 HydrophobicContact CB-CG2 4.17Å; P574-V577 HydrophobicContact CG-CG2 4.31Å; P574-V577 WeakPolarHBondContact O-CB 3.3Å; P574-V577 PolarHBondContact O-N 3.48Å
575	V	57.3	Low	70.2	Confident	36 Å²	36	84.9 Å²	84.9	22%	0.218	43%	0.43	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.4	-174.8	174.9	0	0	0	0	113.5	S556 V577	S556-V575 WeakPolarHBondContact O-CG2 3.45Å; S556-V575 WeakPolarHBondContact OG-CG2 3.42Å; V575-V577 PolarHBondContact O-N 2.92Å
576	D	55.4	Low	70.8	Confident	131 Å²	131	83.9 Å²	83.9	70%	0.701	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-15.7	179.6	-54.6	-31.5	0	0	0	112.3	P574 H578	P574-D576 VanDerWaalsContact C-N 3.29Å; P574-D576 PolarHBondContact O-N 2.98Å; D576-H578 PolarHBondContact O-ND1 3.07Å
577	V	62.9	Low	72.1	Confident	52 Å²	52	78.2 Å²	78.2	32%	0.315	39%	0.392	S	S	.	.			trans	-82.7	128.3	175.9	178.4	0	0	0	0	108.4	W542 V573 P574 V575 E579	W542-V577 HydrophobicContact CH2-CG1 4.34Å; W542-V577 WeakPolarHBondContact CZ2-O 3.48Å; V573-V577 HydrophobicContact CG1-CB 3.87Å; V573-V577 HydrophobicContact CG1-CG1 3.9Å; P574-V577 HydrophobicContact CB-CG2 4.17Å; P574-V577 HydrophobicContact CG-CG2 4.31Å; P574-V577 WeakPolarHBondContact O-CB 3.3Å; P574-V577 PolarHBondContact O-N 3.48Å; V575-V577 PolarHBondContact O-N 2.92Å; V577-E579 WeakPolarHBondContact CG1-O 3.38Å
578	H	70.2	Confident	72.9	Confident	102 Å²	102	77 Å²	77	47%	0.472	40%	0.395	S	S	.	.			trans	-113.1	-3.7	179.9	-68.1	70.7	0	0	0	112.8	S541 W542 D576	S541-H578 VanDerWaalsContact CA-O 3.24Å; S541-H578 WeakPolarHBondContact CA-O 3.22Å; W542-H578 PolarHBondContact N-O 3.4Å; W542-H578 VanDerWaalsContact N-O 3.09Å; D576-H578 PolarHBondContact O-ND1 3.07Å
579	E	80.2	Confident	73.5	Confident	88 Å²	88	74.2 Å²	74.2	41%	0.411	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	135.1	179.2	-56.7	-169.3	174.5	0	0	109.5	K531 L539 V540 V577	K531-E579 IonicContact NZ-OE1 2.62Å; K531-E579 PolarHBondContact NZ-OE1 3.1Å; K531-E579 IonicContact NZ-OE2 2.76Å; K531-E579 PolarHBondContact NZ-OE2 3.26Å; L539-E579 HydrophobicContact CD1-CB 4.48Å; V540-E579 CarbonylContact O-C 3.5Å; V540-E579 VanDerWaalsContact O-CA 3.29Å; V540-E579 WeakPolarHBondContact O-CA 3.34Å; V577-E579 WeakPolarHBondContact CG1-O 3.38Å
580	Y	78	Confident	74.2	Confident	70 Å²	70	73.3 Å²	73.3	28%	0.275	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	131.6	-179.4	-169.3	-94.8	0	0	0	110.9	V540 A571 V573 L582	V540-Y580 WeakPolarHBondContact CG2-O 3.34Å; V540-Y580 PolarHBondContact N-O 2.87Å; V540-Y580 PolarHBondContact O-N 2.83Å; A571-Y580 HydrophobicContact CB-CE1 4.49Å; V573-Y580 HydrophobicContact CG1-CD2 3.94Å; V573-Y580 HydrophobicContact CG2-CD2 3.77Å; V573-Y580 HydrophobicContact CG2-CE2 3.94Å; V573-Y580 HydrophobicContact CG2-CG 4.1Å; Y580-L582 HydrophobicContact CD1-CD2 3.73Å; Y580-L582 HydrophobicContact CD1-CG 4.16Å; Y580-L582 HydrophobicContact CE1-CD2 3.71Å; Y580-L582 HydrophobicContact CE1-CG 4.46Å
581	N	82.1	Confident	74.6	Confident	75 Å²	75	69.6 Å²	69.6	40%	0.401	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	112.2	179.7	-167	4.4	0	0	0	110.5	L539	L539-N581 HydrophobicContact CD1-CB 3.98Å
582	L	79.9	Confident	75.4	Confident	5 Å²	5	72.8 Å²	72.8	3%	0.026	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	118.5	174.4	-58.1	160.7	0	0	0	107.5	S537 I538 V540 M560 I562 Y580 L585 V593	S537-L582 CarbonylContact C-O 3.01Å; S537-L582 WeakPolarHBondContact CA-O 3.32Å; S537-L582 WeakPolarHBondContact CB-O 3.11Å; I538-L582 HydrophobicContact CB-CB 4.43Å; I538-L582 HydrophobicContact CB-CD1 4.42Å; I538-L582 PolarHBondContact N-O 3.49Å; I538-L582 WeakPolarHBondContact O-CB 3.49Å; I538-L582 PolarHBondContact O-N 2.84Å; V540-L582 HydrophobicContact CG1-CD1 4.3Å; V540-L582 HydrophobicContact CG2-CD1 4.26Å; M560-L582 HydrophobicContact CG-CD2 4.06Å; I562-L582 HydrophobicContact CD1-CB 4.12Å; I562-L582 HydrophobicContact CD1-CD1 4.15Å; I562-L582 HydrophobicContact CD1-CD2 3.5Å; I562-L582 HydrophobicContact CD1-CG 4.11Å; I562-L582 HydrophobicContact CG1-CD1 4.34Å; I562-L582 HydrophobicContact CG1-CD2 3.92Å; Y580-L582 HydrophobicContact CD1-CD2 3.73Å; Y580-L582 HydrophobicContact CD1-CG 4.16Å; Y580-L582 HydrophobicContact CE1-CD2 3.71Å; Y580-L582 HydrophobicContact CE1-CG 4.46Å; L582-L585 HydrophobicContact CB-CD1 4.13Å; L582-V593 HydrophobicContact CD1-CB 4.43Å; L582-V593 HydrophobicContact CD1-CG1 3.71Å; L582-V593 HydrophobicContact CD1-CG2 3.78Å
583	T	80.3	Confident	76.2	Confident	74 Å²	74	63.2 Å²	63.2	45%	0.454	33%	0.333	S	S	.	.			trans	-115.3	169.9	-176.1	56	0	0	0	0	110.9	L585	T583-L585 VanDerWaalsContact C-N 3.33Å; T583-L585 PolarHBondContact O-N 3.28Å
584	H	76.8	Confident	76.9	Confident	178 Å²	178	63.3 Å²	63.3	82%	0.824	33%	0.333	S	S	*	.	S	Bend	trans	65.9	30	179.3	-49.6	84.6	0	0	0	114.4	H536	H536-H584 PolarHBondContact O-N 3.47Å; H536-H584 VanDerWaalsContact O-N 3.17Å
585	L	80.9	Confident	77.7	Confident	13 Å²	13	59.5 Å²	59.5	7%	0.068	31%	0.308	C	S	.	.	P	Polyproline II helix	trans	-84.9	154.6	176.1	-59	175.1	0	0	0	110.8	H536 I538 I562 L582 T583 Y591 T613	H536-L585 WeakPolarHBondContact CA-O 3.43Å; H536-L585 PolarHBondContact CD2-O 3.31Å; H536-L585 PolarHBondContact O-N 2.97Å; I538-L585 HydrophobicContact CB-CD1 4.02Å; I538-L585 HydrophobicContact CD1-CD1 3.47Å; I538-L585 VanDerWaalsContact CD1-CD1 3.47Å; I538-L585 HydrophobicContact CG1-CD1 3.53Å; I562-L585 HydrophobicContact CD1-CD2 4.08Å; L582-L585 HydrophobicContact CB-CD1 4.13Å; T583-L585 VanDerWaalsContact C-N 3.33Å; T583-L585 PolarHBondContact O-N 3.28Å; L585-Y591 HydrophobicContact CB-CE2 3.87Å; L585-Y591 HydrophobicContact CD1-CD2 4.41Å; L585-Y591 HydrophobicContact CD1-CE2 4.39Å; L585-Y591 HydrophobicContact CD2-CD1 4.38Å; L585-Y591 HydrophobicContact CD2-CD2 4.45Å; L585-Y591 HydrophobicContact CD2-CE1 4.02Å; L585-Y591 HydrophobicContact CD2-CE2 4.08Å; L585-Y591 HydrophobicContact CG-CE2 4.33Å; L585-T613 HydrophobicContact CB-CG2 3.9Å; L585-T613 HydrophobicContact CD1-CG2 4.11Å
586	Q	80.8	Confident	78.6	Confident	101 Å²	101	59.3 Å²	59.3	47%	0.472	31%	0.307	S	S	.	.	P	Polyproline II helix	trans	-79.2	141.5	175.4	-67.9	-173.1	-21.2	0	0	110.1	T589 Y591 T613	Q586-T589 WeakPolarHBondContact CB-OG1 3.44Å; Q586-T589 WeakPolarHBondContact O-CB 3.5Å; Q586-T589 PolarHBondContact O-OG1 2.84Å; Q586-Y591 PolarHBondContact N-OH 2.88Å; Q586-T613 WeakPolarHBondContact O-CB 3.33Å; Q586-T613 PolarHBondContact O-OG1 3.38Å
587	P	84.5	Confident	79.2	Confident	43 Å²	43	53.8 Å²	53.8	28%	0.279	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	152.9	173.9	-22	32.9	0	0	0	113	S535 H536 T589 K614 A616	S535-P587 WeakPolarHBondContact O-CA 3.24Å; S535-P587 WeakPolarHBondContact O-CG 2.89Å; H536-P587 VanDerWaalsContact NE2-CG 3.29Å; H536-P587 WeakPolarHBondContact NE2-CG 3.38Å; P587-T589 PolarHBondContact O-N 3.39Å; P587-T589 VanDerWaalsContact O-N 3.12Å; P587-T589 PolarHBondContact O-OG1 2.9Å; P587-K614 WeakPolarHBondContact CA-O 3.37Å; P587-K614 WeakPolarHBondContact CB-O 3.41Å; P587-A616 HydrophobicContact CB-CB 4Å; P587-A616 HydrophobicContact CG-CB 3.76Å
588	A	82.1	Confident	79	Confident	59 Å²	59	54.3 Å²	54.3	49%	0.488	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	34.2	177.4	0	0	0	0	0	114.6	T613 K614 Q615	A588-T613 WeakPolarHBondContact CA-O 3.39Å; A588-T613 PolarHBondContact N-O 3.42Å; A588-T613 PolarHBondContact N-OG1 2.78Å; A588-T613 VanDerWaalsContact N-OG1 3.1Å; A588-K614 PolarHBondContact N-O 2.99Å; A588-K614 VanDerWaalsContact N-O 3.11Å; A588-Q615 HydrophobicContact CB-CG 3.91Å
589	T	83.1	Confident	78.2	Confident	24 Å²	24	51.3 Å²	51.3	15%	0.147	28%	0.275	C	S	.	.			trans	-121.3	135.1	-172.7	-58.3	0	0	0	0	110.1	N564 Q586 P587 Y591 T612 T613	N564-T589 WeakPolarHBondContact ND2-CG2 3.38Å; Q586-T589 WeakPolarHBondContact CB-OG1 3.44Å; Q586-T589 WeakPolarHBondContact O-CB 3.5Å; Q586-T589 PolarHBondContact O-OG1 2.84Å; P587-T589 PolarHBondContact O-N 3.39Å; P587-T589 VanDerWaalsContact O-N 3.12Å; P587-T589 PolarHBondContact O-OG1 2.9Å; T589-Y591 HydrophobicContact CG2-CD2 4.44Å; T589-Y591 HydrophobicContact CG2-CE1 4.22Å; T589-Y591 HydrophobicContact CG2-CE2 3.73Å; T589-Y591 WeakPolarHBondContact O-CD2 3.26Å; T589-T612 WeakPolarHBondContact O-CA 3.15Å; T589-T613 PolarHBondContact N-OG1 3.49Å; T589-T613 PolarHBondContact O-N 3.19Å; T589-T613 PolarHBondContact O-OG1 3.35Å
590	E	85.8	Confident	76.3	Confident	115 Å²	115	54.4 Å²	54.4	54%	0.537	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.7	178.3	-172.5	178.9	-170	0	0	111.1	N564	N564-E590 PolarHBondContact ND2-O 2.83Å
591	Y	82.3	Confident	74.5	Confident	6 Å²	6	59.8 Å²	59.8	2%	0.024	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	137.6	179.3	-66	-78.9	0	0	0	110.4	I538 I562 N564 L585 Q586 T589 N610 V611 T613	I538-Y591 HydrophobicContact CD1-CD2 4.22Å; I562-Y591 HydrophobicContact CG2-CD1 3.51Å; I562-Y591 HydrophobicContact CG2-CE1 4.34Å; I562-Y591 HydrophobicContact CG2-CG 4.01Å; N564-Y591 HydrophobicContact CB-CD1 3.69Å; N564-Y591 HydrophobicContact CB-CE1 3.82Å; L585-Y591 HydrophobicContact CB-CE2 3.87Å; L585-Y591 HydrophobicContact CD1-CD2 4.41Å; L585-Y591 HydrophobicContact CD1-CE2 4.39Å; L585-Y591 HydrophobicContact CD2-CD1 4.38Å; L585-Y591 HydrophobicContact CD2-CD2 4.45Å; L585-Y591 HydrophobicContact CD2-CE1 4.02Å; L585-Y591 HydrophobicContact CD2-CE2 4.08Å; L585-Y591 HydrophobicContact CG-CE2 4.33Å; Q586-Y591 PolarHBondContact N-OH 2.88Å; T589-Y591 HydrophobicContact CG2-CD2 4.44Å; T589-Y591 HydrophobicContact CG2-CE1 4.22Å; T589-Y591 HydrophobicContact CG2-CE2 3.73Å; T589-Y591 WeakPolarHBondContact O-CD2 3.26Å; Y591-N610 WeakPolarHBondContact O-CA 3.46Å; Y591-V611 PolarHBondContact N-O 2.04Å; Y591-V611 PolarHBondContact O-N 3.5Å; Y591-T613 HydrophobicContact CD2-CG2 4.14Å; Y591-T613 HydrophobicContact CE2-CG2 3.9Å
592	E	85.7	Confident	73.1	Confident	74 Å²	74	61.3 Å²	61.3	35%	0.346	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	116.2	163.4	-176.6	-176.3	-142.9	0	0	108.4	I562 D563 C608	I562-E592 CarbonylContact C-O 3.41Å; I562-E592 WeakPolarHBondContact CA-O 3.39Å; D563-E592 HydrophobicContact CB-CB 4.46Å; D563-E592 PolarHBondContact N-O 3.33Å; D563-E592 PolarHBondContact O-N 2.77Å; E592-C608 HydrophobicContact CG-CB 4.26Å
593	V	84.1	Confident	71.8	Confident	0 Å²	0	69.5 Å²	69.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	114.2	178.6	-178.8	0	0	0	0	108.9	I528 V540 M560 L582 C608 V609 V611	I528-V593 HydrophobicContact CD1-CG1 3.98Å; V540-V593 HydrophobicContact CG1-CG1 4.2Å; M560-V593 HydrophobicContact CG-CG1 4.19Å; M560-V593 HydrophobicContact SD-CG1 3.48Å; M560-V593 WeakPolarHBondContact SD-CG1 3.07Å; L582-V593 HydrophobicContact CD1-CB 4.43Å; L582-V593 HydrophobicContact CD1-CG1 3.71Å; L582-V593 HydrophobicContact CD1-CG2 3.78Å; V593-C608 CarbonylContact O-C 3.54Å; V593-C608 VanDerWaalsContact O-CA 3.26Å; V593-C608 WeakPolarHBondContact O-CA 3.39Å; V593-V609 HydrophobicContact CB-CG1 4.15Å; V593-V609 PolarHBondContact N-O 2.86Å; V593-V609 PolarHBondContact O-N 3.41Å; V593-V611 HydrophobicContact CG2-CG1 3.75Å
594	C	81.2	Confident	70.9	Confident	3 Å²	3	70 Å²	70	2%	0.02	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	127.3	-178.4	-67.9	0	0	0	0	112	M560 K561 K606 S607 C608	M560-C594 CarbonylContact C-O 3.57Å; M560-C594 WeakPolarHBondContact CA-O 3.38Å; K561-C594 HydrophobicContact CB-CB 4.44Å; K561-C594 PolarHBondContact N-O 2.87Å; K561-C594 PolarHBondContact O-N 3.18Å; C594-K606 HydrophobicContact CB-CG 4.49Å; C594-K606 WeakPolarHBondContact SG-CE 3.33Å; C594-K606 PolarHBondContact SG-NZ 2.7Å; C594-S607 CarbonylContact C-O 3.58Å; C594-S607 VanDerWaalsContact CA-O 3.3Å; C594-S607 WeakPolarHBondContact CA-O 3.06Å; C594-C608 HydrophobicContact CB-CB 4.12Å; C594-C608 WeakPolarHBondContact CB-SG 3.48Å; C594-C608 WeakPolarHBondContact SG-CB 3.49Å; C594-C608 CovalentContact SG-SG 2.04Å; C594-C608 PolarHBondContact SG-SG 2.8Å
595	L	79.5	Confident	70.3	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	128.5	170.4	-175.4	63.5	0	0	0	110.1	L526 I528 W542 A558 M560 K606 S607	L526-L595 HydrophobicContact CD1-CD2 3.85Å; L526-L595 HydrophobicContact CD2-CB 4.25Å; L526-L595 HydrophobicContact CD2-CD2 4.14Å; L526-L595 HydrophobicContact CD2-CG 4.04Å; L526-L595 WeakPolarHBondContact CD2-O 2.94Å; L526-L595 HydrophobicContact CG-CD2 4.34Å; I528-L595 HydrophobicContact CD1-CB 4.18Å; W542-L595 HydrophobicContact CB-CD2 3.84Å; W542-L595 HydrophobicContact CD2-CD2 3.43Å; W542-L595 VanDerWaalsContact CD2-CD2 3.43Å; W542-L595 HydrophobicContact CE3-CD2 3.97Å; W542-L595 HydrophobicContact CG-CD2 3.36Å; W542-L595 HydrophobicContact CZ2-CD2 4.49Å; A558-L595 HydrophobicContact CB-CD1 3.7Å; M560-L595 HydrophobicContact CE-CB 4.37Å; M560-L595 HydrophobicContact CE-CD1 3.83Å; M560-L595 HydrophobicContact SD-CB 4.08Å; M560-L595 HydrophobicContact SD-CD1 4.17Å; L595-K606 CarbonylContact O-C 3.56Å; L595-K606 WeakPolarHBondContact O-CA 3.44Å; L595-S607 PolarHBondContact N-O 3.35Å; L595-S607 PolarHBondContact O-N 3.18Å
596	T	74.7	Confident	70.1	Confident	32 Å²	32	69.8 Å²	69.8	20%	0.196	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	125.1	176.9	-47.6	0	0	0	0	110.5	A558 T559 P604 Q605	A558-T596 CarbonylContact C-O 3.25Å; A558-T596 WeakPolarHBondContact CA-O 3.44Å; T559-T596 PolarHBondContact N-O 2.9Å; T559-T596 PolarHBondContact O-N 2.82Å; T596-P604 HydrophobicContact CG2-CB 4.17Å; T596-Q605 CarbonylContact C-O 3.28Å; T596-Q605 WeakPolarHBondContact CA-O 3.46Å
597	V	69.1	Low	70.1	Confident	16 Å²	16	66 Å²	66	10%	0.097	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	123.6	177.4	-177.3	0	0	0	0	108.9	L526 M549 A558 P604 Q605	L526-V597 HydrophobicContact CD1-CG2 4.31Å; L526-V597 HydrophobicContact CD2-CG2 3.97Å; M549-V597 HydrophobicContact CE-CG1 4.44Å; A558-V597 HydrophobicContact CB-CG2 3.99Å; V597-P604 WeakPolarHBondContact O-CA 3.28Å; V597-Q605 PolarHBondContact N-O 3.35Å; V597-Q605 PolarHBondContact O-N 3.48Å
598	S	57.5	Low	70.1	Confident	63 Å²	63	66.3 Å²	66.3	44%	0.441	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	130.5	-178.9	-46.9	0	0	0	0	110
599	S	53.2	Low	70.2	Confident	39 Å²	39	65.1 Å²	65.1	27%	0.273	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	147.3	172.5	178.9	0	0	0	0	110.1	Q601 Q602	S599-Q601 PolarHBondContact O-N 3.17Å; S599-Q601 VanDerWaalsContact O-N 3.13Å; S599-Q602 PolarHBondContact O-N 3.04Å
600	V	41.5	Very low	70.4	Confident	152 Å²	152	68.6 Å²	68.6	92%	0.921	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-18.5	-175.8	-177.8	0	0	0	0	112.4
601	Q	40.2	Very low	70.5	Confident	184 Å²	184	63.6 Å²	63.6	86%	0.86	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.8	0.1	-174.4	-66.4	179.9	-18.6	0	0	114.8	S599	S599-Q601 PolarHBondContact O-N 3.17Å; S599-Q601 VanDerWaalsContact O-N 3.13Å
602	Q	51.3	Low	70.7	Confident	106 Å²	106	67 Å²	67	50%	0.495	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	163.2	-176.8	-67.9	-175.4	-1.1	0	0	113.4	S599	S599-Q602 PolarHBondContact O-N 3.04Å
603	Q	53.1	Low	70.7	Confident	177 Å²	177	63.7 Å²	63.7	83%	0.827	35%	0.347	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.4	142	173.2	-76.8	-172.6	-13	0	0	111.6	Q605	Q603-Q605 PolarHBondContact O-N 2.83Å
604	P	61.7	Low	70.8	Confident	86 Å²	86	69.3 Å²	69.3	56%	0.558	37%	0.371	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66	129.4	-178.7	26.7	-33.5	0	0	0	111.2	T596 V597	T596-P604 HydrophobicContact CG2-CB 4.17Å; V597-P604 WeakPolarHBondContact O-CA 3.28Å
605	Q	64.6	Low	70.7	Confident	60 Å²	60	76.5 Å²	76.5	28%	0.28	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	134.6	179.2	-68.2	-168.7	-11.5	0	0	111.3	T596 V597 Q603	T596-Q605 CarbonylContact C-O 3.28Å; T596-Q605 WeakPolarHBondContact CA-O 3.46Å; V597-Q605 PolarHBondContact N-O 3.35Å; V597-Q605 PolarHBondContact O-N 3.48Å; Q603-Q605 PolarHBondContact O-N 2.83Å
606	K	76.8	Confident	70.2	Confident	126 Å²	126	78.3 Å²	78.3	55%	0.548	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	133.4	-177.8	-169.9	-171.3	-173.3	-146.2	0	110.8	C594 L595 C608	C594-K606 HydrophobicContact CB-CG 4.49Å; C594-K606 WeakPolarHBondContact SG-CE 3.33Å; C594-K606 PolarHBondContact SG-NZ 2.7Å; L595-K606 CarbonylContact O-C 3.56Å; L595-K606 WeakPolarHBondContact O-CA 3.44Å; K606-C608 WeakPolarHBondContact CE-SG 3.46Å; K606-C608 PolarHBondContact NZ-SG 2.84Å
607	S	80.3	Confident	69.3	Low	21 Å²	21	82.9 Å²	82.9	15%	0.147	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	131.1	174.1	-162	0	0	0	0	109.6	L526 I528 C594 L595	L526-S607 WeakPolarHBondContact O-CB 3.4Å; L526-S607 PolarHBondContact O-OG 2.62Å; I528-S607 PolarHBondContact N-OG 2.65Å; C594-S607 CarbonylContact C-O 3.58Å; C594-S607 VanDerWaalsContact CA-O 3.3Å; C594-S607 WeakPolarHBondContact CA-O 3.06Å; L595-S607 PolarHBondContact N-O 3.35Å; L595-S607 PolarHBondContact O-N 3.18Å
608	C	83.8	Confident	68.1	Low	50 Å²	50	91.8 Å²	91.8	34%	0.338	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	148.6	-174.4	-57.7	0	0	0	0	112.1	E592 V593 C594 K606	E592-C608 HydrophobicContact CG-CB 4.26Å; V593-C608 CarbonylContact O-C 3.54Å; V593-C608 VanDerWaalsContact O-CA 3.26Å; V593-C608 WeakPolarHBondContact O-CA 3.39Å; C594-C608 HydrophobicContact CB-CB 4.12Å; C594-C608 WeakPolarHBondContact CB-SG 3.48Å; C594-C608 WeakPolarHBondContact SG-CB 3.49Å; C594-C608 CovalentContact SG-SG 2.04Å; C594-C608 PolarHBondContact SG-SG 2.8Å; K606-C608 WeakPolarHBondContact CE-SG 3.46Å; K606-C608 PolarHBondContact NZ-SG 2.84Å
609	V	84.8	Confident	67.2	Low	33 Å²	33	93 Å²	93	20%	0.2	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	137.2	173.5	65.2	0	0	0	0	110.5	I528 V530 V593	I528-V609 HydrophobicContact CD1-CG1 4.34Å; I528-V609 HydrophobicContact CG1-CG1 4.26Å; I528-V609 HydrophobicContact CG2-CB 4.01Å; I528-V609 HydrophobicContact CG2-CG1 3.9Å; V530-V609 HydrophobicContact CG2-CG1 3.89Å; V530-V609 HydrophobicContact CG2-CG2 3.81Å; V593-V609 HydrophobicContact CB-CG1 4.15Å; V593-V609 PolarHBondContact N-O 2.86Å; V593-V609 PolarHBondContact O-N 3.41Å
610	N	88.7	Confident	66.4	Low	98 Å²	98	97 Å²	97	52%	0.524	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	137.3	174.5	-66	5.2	0	0	0	109.7	Y591	Y591-N610 WeakPolarHBondContact O-CA 3.46Å
611	V	86.2	Confident	66.2	Low	10 Å²	10	98.6 Å²	98.6	6%	0.061	52%	0.519	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.1	136.1	-173	52.9	0	0	0	0	111.1	V530 T533 I538 Y591 V593	V530-V611 HydrophobicContact CG1-CG2 3.92Å; V530-V611 HydrophobicContact CG2-CB 3.93Å; V530-V611 HydrophobicContact CG2-CG1 4.46Å; V530-V611 HydrophobicContact CG2-CG2 3.98Å; T533-V611 HydrophobicContact CG2-CG2 3.41Å; T533-V611 VanDerWaalsContact CG2-CG2 3.41Å; I538-V611 HydrophobicContact CD1-CB 4.25Å; I538-V611 HydrophobicContact CD1-CG1 3.53Å; I538-V611 HydrophobicContact CD1-CG2 3.81Å; I538-V611 HydrophobicContact CG1-CG2 4.3Å; I538-V611 HydrophobicContact CG2-CG1 4.18Å; I538-V611 HydrophobicContact CG2-CG2 4Å; Y591-V611 PolarHBondContact N-O 2.04Å; Y591-V611 PolarHBondContact O-N 3.5Å; V593-V611 HydrophobicContact CG2-CG1 3.75Å
612	T	87.3	Confident	66	Low	77 Å²	77	97.1 Å²	97.1	47%	0.472	52%	0.516	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	128.9	178.5	-42.8	0	0	0	0	110.1	T589	T589-T612 WeakPolarHBondContact O-CA 3.15Å
613	T	86	Confident	65.2	Low	5 Å²	5	96.7 Å²	96.7	3%	0.031	52%	0.524	C	S	.	.	P	Polyproline II helix	trans	-68.8	152.8	174.3	51.9	0	0	0	0	111.3	E534 I538 L585 Q586 A588 T589 Y591	E534-T613 WeakPolarHBondContact O-CB 3.47Å; I538-T613 HydrophobicContact CD1-CG2 3.84Å; I538-T613 HydrophobicContact CG1-CG2 3.96Å; L585-T613 HydrophobicContact CB-CG2 3.9Å; L585-T613 HydrophobicContact CD1-CG2 4.11Å; Q586-T613 WeakPolarHBondContact O-CB 3.33Å; Q586-T613 PolarHBondContact O-OG1 3.38Å; A588-T613 WeakPolarHBondContact CA-O 3.39Å; A588-T613 PolarHBondContact N-O 3.42Å; A588-T613 PolarHBondContact N-OG1 2.78Å; A588-T613 VanDerWaalsContact N-OG1 3.1Å; T589-T613 PolarHBondContact N-OG1 3.49Å; T589-T613 PolarHBondContact O-N 3.19Å; T589-T613 PolarHBondContact O-OG1 3.35Å; Y591-T613 HydrophobicContact CD2-CG2 4.14Å; Y591-T613 HydrophobicContact CE2-CG2 3.9Å
614	K	86.2	Confident	64.5	Low	117 Å²	117	95.7 Å²	95.7	51%	0.509	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-72.9	162.1	178.9	-68.5	178.7	179.1	157.3	0	111.3	T533 E534 S535 P587 A588	T533-K614 VanDerWaalsContact O-CD 3.32Å; T533-K614 WeakPolarHBondContact O-CD 3.23Å; T533-K614 WeakPolarHBondContact O-CE 3.43Å; T533-K614 PolarHBondContact O-NZ 3.32Å; E534-K614 PolarHBondContact O-N 2.84Å; S535-K614 WeakPolarHBondContact CA-O 3.4Å; P587-K614 WeakPolarHBondContact CA-O 3.37Å; P587-K614 WeakPolarHBondContact CB-O 3.41Å; A588-K614 PolarHBondContact N-O 2.99Å; A588-K614 VanDerWaalsContact N-O 3.11Å
615	Q	78.9	Confident	63.4	Low	155 Å²	155	99.6 Å²	99.6	72%	0.724	54%	0.535	S	S	*	.	P	Polyproline II helix	trans	-67.2	141.9	169.8	-75.4	178.2	-7	0	0	110.2	A588 T617	A588-Q615 HydrophobicContact CB-CG 3.91Å; Q615-T617 PolarHBondContact O-N 3.48Å; Q615-T617 VanDerWaalsContact O-N 3.14Å
616	A	68	Low	62.3	Low	38 Å²	38	100.4 Å²	100.4	31%	0.314	56%	0.559	S	S	.	*			trans	-73.3	104.3	174.8	0	0	0	0	0	109.7	P587 F618	P587-A616 HydrophobicContact CB-CB 4Å; P587-A616 HydrophobicContact CG-CB 3.76Å; A616-F618 PolarHBondContact O-N 3.21Å
617	T	55.8	Low	60.6	Low	128 Å²	128	100.3 Å²	100.3	79%	0.785	57%	0.57	S	S	*	*			trans	-81.3	109	168.3	49.6	0	0	0	0	108.8	Q615 A619	Q615-T617 PolarHBondContact O-N 3.48Å; Q615-T617 VanDerWaalsContact O-N 3.14Å; T617-A619 PolarHBondContact O-N 3.34Å; T617-A619 VanDerWaalsContact O-N 3.14Å
618	F	45.1	Very low	58.9	Low	203 Å²	203	106.3 Å²	106.3	89%	0.89	60%	0.6	S	S	*	*			trans	-72.1	99.7	167.2	-82.3	-92.2	0	0	0	108.7	A616	A616-F618 PolarHBondContact O-N 3.21Å
619	A	38.7	Very low	57.6	Low	87 Å²	87	109.8 Å²	109.8	72%	0.719	62%	0.62	S	S	*	*			trans	-100.6	112.9	163.9	0	0	0	0	0	107.9	T617 E621	T617-A619 PolarHBondContact O-N 3.34Å; T617-A619 VanDerWaalsContact O-N 3.14Å; A619-E621 PolarHBondContact O-N 3.18Å
620	V	36.8	Very low	56.1	Low	124 Å²	124	111.9 Å²	111.9	75%	0.752	64%	0.641	S	S	*	*			trans	-79.2	103.5	169.8	175.6	0	0	0	0	107	I622	V620-I622 HydrophobicContact CG1-CG1 4.03Å; V620-I622 PolarHBondContact O-N 3.43Å
621	E	36.8	Very low	54.5	Low	186 Å²	186	113.2 Å²	113.2	87%	0.869	65%	0.647	S	S	*	*			trans	-79	104.2	165.4	-79.9	-175.9	160.2	0	0	108.8	A619 S623	A619-E621 PolarHBondContact O-N 3.18Å; E621-S623 PolarHBondContact O-N 3.42Å
622	I	36.7	Very low	53	Low	153 Å²	153	116.3 Å²	116.3	79%	0.785	67%	0.674	S	S	*	*			trans	-75.6	98.7	166.4	-59.5	175	0	0	0	106.5	V620 D624	V620-I622 HydrophobicContact CG1-CG1 4.03Å; V620-I622 PolarHBondContact O-N 3.43Å; I622-D624 PolarHBondContact O-N 3.19Å
623	S	32.5	Very low	51.6	Low	97 Å²	97	115.9 Å²	115.9	68%	0.678	68%	0.678	S	S	*	*			trans	-79.9	106.6	167.9	-179.7	0	0	0	0	108.9	E621 Q625	E621-S623 PolarHBondContact O-N 3.42Å; S623-Q625 PolarHBondContact O-N 3.35Å
624	D	39.3	Very low	50.3	Low	155 Å²	155	120.1 Å²	120.1	83%	0.829	70%	0.704	S	S	*	*			trans	-77.7	99.6	170.5	-162.8	15.1	0	0	0	108.4	I622	I622-D624 PolarHBondContact O-N 3.19Å
625	Q	39.2	Very low	49	Very low	169 Å²	169	120.6 Å²	120.6	79%	0.79	71%	0.709	S	S	*	*			trans	-127.5	120.3	168.3	-94.3	-172.1	-15.4	0	0	110.6	S623	S623-Q625 PolarHBondContact O-N 3.35Å
626	G	41	Very low	48.2	Very low	76 Å²	76	115.5 Å²	115.5	78%	0.784	70%	0.698	S	S	*	*			trans	-54.8	141.9	-172.3	0	0	0	0	0	115.1
627	T	40.3	Very low	47.9	Very low	125 Å²	125	117.9 Å²	117.9	77%	0.767	71%	0.709	S	S	*	*			trans	-79	119.4	-178.2	42.7	0	0	0	0	111.7
628	N	45.4	Very low	48.1	Very low	146 Å²	146	117.1 Å²	117.1	78%	0.781	70%	0.698	S	S	*	*			trans	-95.5	99.8	163.5	-98.3	-17.5	0	0	0	109.4	A630	N628-A630 PolarHBondContact O-N 3.35Å
629	T	57.1	Low	48.9	Very low	124 Å²	124	114.7 Å²	114.7	76%	0.761	69%	0.688	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.3	4.9	-170.7	43.9	0	0	0	0	116
630	A	53.3	Low	50.1	Low	77 Å²	77	113.1 Å²	113.1	64%	0.636	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.8	-23.5	179.4	0	0	0	0	0	114.4	N628	N628-A630 PolarHBondContact O-N 3.35Å
631	L	53.3	Low	51.3	Low	125 Å²	125	112.5 Å²	112.5	65%	0.654	67%	0.667	S	S	*	*	H	α-helix	trans	-84.5	-24.9	-176	-81.3	158.4	0	0	0	113.7	M635	L631-M635 PolarHBondContact O-N 3.14Å
632	A	56.3	Low	52.7	Low	75 Å²	75	108.1 Å²	108.1	62%	0.62	65%	0.648	S	S	*	*	H	α-helix	trans	-72.1	-32	-179.7	0	0	0	0	0	113.3	G636	A632-G636 PolarHBondContact O-N 3.11Å
633	A	57.6	Low	54	Low	69 Å²	69	103.7 Å²	103.7	57%	0.57	63%	0.631	S	S	*	*	H	α-helix	trans	-75.2	-29.7	-179.1	0	0	0	0	0	113.1	T637	A633-T637 PolarHBondContact O-OG1 3.34Å
634	V	58.4	Low	55.4	Low	93 Å²	93	105.2 Å²	105.2	56%	0.564	63%	0.63	S	S	*	*	H	α-helix	trans	-79.6	-32.5	179.8	-177.7	0	0	0	0	111.5	T637	V634-T637 PolarHBondContact O-OG1 3.02Å; V634-T637 VanDerWaalsContact O-OG1 3.1Å
635	M	58.8	Low	56.6	Low	127 Å²	127	102.6 Å²	102.6	63%	0.626	62%	0.62	S	S	*	*	H	α-helix	trans	-75.5	-30.6	175.7	-69.2	-155.3	-72.4	0	0	113.3	L631 F639	L631-M635 PolarHBondContact O-N 3.14Å; M635-F639 PolarHBondContact O-N 3.14Å
636	G	62.9	Low	57.8	Low	48 Å²	48	100.1 Å²	100.1	50%	0.495	61%	0.611	S	S	.	*	H	α-helix	trans	-68.1	-32.1	177.5	0	0	0	0	0	114.2	A632	A632-G636 PolarHBondContact O-N 3.11Å
637	T	61.2	Low	58.7	Low	88 Å²	88	102.1 Å²	102.1	54%	0.54	60%	0.604	S	S	.	*	H	α-helix	trans	-78.7	-31.3	179.5	48.5	0	0	0	0	112.6	A633 V634 L641	A633-T637 PolarHBondContact O-OG1 3.34Å; V634-T637 PolarHBondContact O-OG1 3.02Å; V634-T637 VanDerWaalsContact O-OG1 3.1Å; T637-L641 PolarHBondContact O-N 2.93Å
638	M	59	Low	59.8	Low	113 Å²	113	98.1 Å²	98.1	56%	0.557	59%	0.587	S	S	*	*	H	α-helix	trans	-72.5	-35.4	175.8	-70.7	-66.1	-76.8	0	0	113	L641 I642	M638-L641 PolarHBondContact O-N 3.2Å; M638-I642 WeakPolarHBondContact O-CG1 3.41Å; M638-I642 PolarHBondContact O-N 2.58Å
639	F	63.3	Low	60.6	Low	152 Å²	152	95.3 Å²	95.3	67%	0.667	58%	0.575	S	S	*	*	H	α-helix	trans	-68.8	-32.7	176.8	-104.3	-87.5	0	0	0	113.3	M635 S643	M635-F639 PolarHBondContact O-N 3.14Å; F639-S643 WeakPolarHBondContact O-CB 3.29Å; F639-S643 PolarHBondContact O-N 3.45Å; F639-S643 PolarHBondContact O-OG 2.81Å
640	A	63.1	Low	61	Low	54 Å²	54	96.9 Å²	96.9	45%	0.446	57%	0.568	S	S	.	*	H	α-helix	trans	-68.8	-37.6	176.9	0	0	0	0	0	112.5	L644	A640-L644 PolarHBondContact O-N 2.97Å
641	L	61.9	Low	61	Low	111 Å²	111	97.8 Å²	97.8	58%	0.581	57%	0.566	S	S	*	*	H	α-helix	trans	-70.7	-37.5	178.3	-74.3	164.7	0	0	0	112.5	T637 M638 V645	T637-L641 PolarHBondContact O-N 2.93Å; M638-L641 PolarHBondContact O-N 3.2Å; L641-V645 WeakPolarHBondContact O-CG2 3.48Å; L641-V645 PolarHBondContact O-N 3.26Å
642	I	65.4	Low	61.1	Low	94 Å²	94	95.4 Å²	95.4	48%	0.482	56%	0.564	S	S	.	*	H	α-helix	trans	-69.9	-35	177.4	-65.7	167.7	0	0	0	111.3	M638 L644 V645 L646	M638-I642 WeakPolarHBondContact O-CG1 3.41Å; M638-I642 PolarHBondContact O-N 2.58Å; I642-L644 PolarHBondContact O-N 2.91Å; I642-V645 PolarHBondContact O-N 2.9Å; I642-L646 HydrophobicContact CG2-CD1 3.97Å; I642-L646 WeakPolarHBondContact O-CG 3.42Å; I642-L646 PolarHBondContact O-N 3.06Å
643	S	63.8	Low	61.1	Low	60 Å²	60	100.2 Å²	100.2	42%	0.42	57%	0.571	S	S	.	*	H	α-helix	trans	-67.2	-34.6	178.7	-57.2	0	0	0	0	112.9	F639 L647	F639-S643 WeakPolarHBondContact O-CB 3.29Å; F639-S643 PolarHBondContact O-N 3.45Å; F639-S643 PolarHBondContact O-OG 2.81Å; S643-L647 PolarHBondContact O-N 2.93Å
644	L	62.8	Low	60.5	Low	128 Å²	128	106.2 Å²	106.2	67%	0.67	58%	0.579	S	S	*	*	H	α-helix	trans	-74.1	-33.2	177.4	-74.9	166.3	0	0	0	112.9	A640 I642 G648	A640-L644 PolarHBondContact O-N 2.97Å; I642-L644 PolarHBondContact O-N 2.91Å; L644-G648 PolarHBondContact O-N 2.74Å
645	V	64.5	Low	59.9	Low	101 Å²	101	113.7 Å²	113.7	61%	0.612	60%	0.597	S	S	*	*	H	α-helix	trans	-71.7	-36.3	176.9	174.5	0	0	0	0	111.6	L641 I642 G648 V649	L641-V645 WeakPolarHBondContact O-CG2 3.48Å; L641-V645 PolarHBondContact O-N 3.26Å; I642-V645 PolarHBondContact O-N 2.9Å; V645-G648 PolarHBondContact O-N 3.44Å; V645-V649 WeakPolarHBondContact O-CG2 3.05Å; V645-V649 PolarHBondContact O-N 3.43Å
646	L	63.8	Low	59.2	Low	116 Å²	116	116.9 Å²	116.9	61%	0.607	61%	0.608	S	S	*	*	H	α-helix	trans	-71.2	-30.8	177.5	-71.9	167.5	0	0	0	113.1	I642 Y650	I642-L646 HydrophobicContact CG2-CD1 3.97Å; I642-L646 WeakPolarHBondContact O-CG 3.42Å; I642-L646 PolarHBondContact O-N 3.06Å; L646-Y650 PolarHBondContact O-N 3.1Å
647	L	60.6	Low	58	Low	119 Å²	119	126.2 Å²	126.2	62%	0.623	63%	0.628	S	S	*	*	H	α-helix	trans	-70.6	-33.2	173.9	-107.1	115.7	0	0	0	113	S643 T651	S643-L647 PolarHBondContact O-N 2.93Å; L647-T651 PolarHBondContact O-N 2.69Å; L647-T651 PolarHBondContact O-OG1 2.69Å
648	G	62.6	Low	56.9	Low	41 Å²	41	131.3 Å²	131.3	42%	0.423	64%	0.643	S	S	.	*	H	α-helix	trans	-69.7	-32.6	174.8	0	0	0	0	0	113.8	L644 V645 T651 A652	L644-G648 PolarHBondContact O-N 2.74Å; V645-G648 PolarHBondContact O-N 3.44Å; G648-T651 PolarHBondContact O-OG1 3.39Å; G648-A652 PolarHBondContact O-N 3.47Å
649	V	63.2	Low	55.7	Low	86 Å²	86	132.7 Å²	132.7	52%	0.521	65%	0.652	S	S	.	*	H	α-helix	trans	-76.1	-32.6	176.4	176.3	0	0	0	0	111.5	V645 K653	V645-V649 WeakPolarHBondContact O-CG2 3.05Å; V645-V649 PolarHBondContact O-N 3.43Å; V649-K653 PolarHBondContact O-N 3.12Å
650	Y	65	Low	54.3	Low	157 Å²	157	135.7 Å²	135.7	62%	0.616	66%	0.661	S	S	*	*	H	α-helix	trans	-67.7	-35.7	178	-171.9	-100.3	0	0	0	112.9	L646 R654	L646-Y650 PolarHBondContact O-N 3.1Å; Y650-R654 PolarHBondContact O-N 2.87Å
651	T	54.4	Low	52.9	Low	97 Å²	97	141.7 Å²	141.7	60%	0.595	68%	0.679	S	S	*	*	H	α-helix	trans	-78.2	-30.2	178.4	55.8	0	0	0	0	112.8	L647 G648	L647-T651 PolarHBondContact O-N 2.69Å; L647-T651 PolarHBondContact O-OG1 2.69Å; G648-T651 PolarHBondContact O-OG1 3.39Å
652	A	55.1	Low	51.6	Low	75 Å²	75	144.7 Å²	144.7	62%	0.62	69%	0.69	S	S	*	*	H	α-helix	trans	-72.4	-30.8	173.7	0	0	0	0	0	113.3	G648	G648-A652 PolarHBondContact O-N 3.47Å
653	K	55.4	Low	50.2	Low	175 Å²	175	144.3 Å²	144.3	76%	0.761	70%	0.696	S	S	*	*	H	α-helix	trans	-81.6	-17.6	-180	-132.1	174.2	-174.8	175.6	0	113.8	V649 W655	V649-K653 PolarHBondContact O-N 3.12Å; K653-W655 VanDerWaalsContact C-N 3.34Å
654	R	46.3	Very low	48.6	Very low	195 Å²	195	149.4 Å²	149.4	74%	0.736	72%	0.717	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-7.4	-179	-160.4	171	179.9	173.3	-0.1	114	Y650	Y650-R654 PolarHBondContact O-N 2.87Å
655	W	44.3	Very low	47.2	Very low	250 Å²	250	153.3 Å²	153.3	95%	0.947	73%	0.729	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.6	4.7	-177.6	-126.7	27.9	0	0	0	115.6	K653	K653-W655 VanDerWaalsContact C-N 3.34Å
656	K	44.8	Very low	45.6	Very low	194 Å²	194	156.5 Å²	156.5	84%	0.843	74%	0.735	S	S	*	*	S	Bend	trans	-131.3	44.9	-175.4	-134.2	179	-173.4	-178.9	0	114.7
657	R	38.5	Very low	44	Very low	244 Å²	244	160.5 Å²	160.5	92%	0.921	74%	0.743	S	S	*	*			trans	-140.5	79.1	165.5	-83.9	-171.2	177.1	176.4	-1.8	111.7
658	K	37	Very low	42.7	Very low	196 Å²	196	163.7 Å²	163.7	85%	0.852	76%	0.757	S	S	*	*			trans	-121.5	106.3	147	-98.4	-172.8	176.4	-179.4	0	106.2
659	N	35	Very low	41.4	Very low	141 Å²	141	170.2 Å²	170.2	75%	0.754	78%	0.776	S	S	*	*			trans	161	137.7	133.3	-82.2	-9.2	0	0	0	112.9
660	Y	33.1	Very low	39.8	Very low	216 Å²	216	176 Å²	176	85%	0.847	79%	0.794	S	S	*	*			trans	86.9	99.7	164.6	-70.4	-76.2	0	0	0	121.2
661	H	33	Very low	38.2	Very low	180 Å²	180	175.4 Å²	175.4	83%	0.833	81%	0.808	S	S	*	*			trans	-55	149	142.1	-79	-25.3	0	0	0	112.7
662	H	35	Very low	37.2	Very low	173 Å²	173	175.8 Å²	175.8	80%	0.801	81%	0.814	S	S	*	*				-173.5	141.1	98.7	-135.2	-49.3	0	0	0	113.8
663	S	35.3	Very low	36.2	Very low	87 Å²	87	177.6 Å²	177.6	61%	0.608	82%	0.822	S	S	*	*			trans	43.5	124.7	145.5	-90.4	0	0	0	0	121.8
664	L	30	Very low	35.2	Very low	167 Å²	167	176.8 Å²	176.8	87%	0.874	82%	0.824	S	S	*	*				-159.8	103.6	93.4	-125.9	107.2	0	0	0	111.1
665	K	33.9	Very low	34.7	Very low	210 Å²	210	173.1 Å²	173.1	91%	0.913	83%	0.826	S	S	*	*			trans	-104.5	94.5	162.3	-171.8	-177.7	-173.4	-179.7	0	106.3
666	K	32.3	Very low	34.6	Very low	168 Å²	168	169.3 Å²	169.3	73%	0.73	82%	0.823	S	S	*	*			trans	-159.3	125	161.3	-126.6	177.6	-179.1	-178.2	0	109.9
667	Y	29.6	Very low	33.9	Very low	200 Å²	200	167.7 Å²	167.7	78%	0.784	82%	0.824	S	S	*	*			trans	87.4	68.1	173.7	-68.8	-86.9	0	0	0	118.2
668	M	32.5	Very low	33.5	Very low	186 Å²	186	165.1 Å²	165.1	92%	0.916	82%	0.822	S	S	*	*				-79.4	126.7	127.7	-69.8	-174.3	92.5	0	0	107.8
669	Q	36.6	Very low	33.1	Very low	177 Å²	177	163.2 Å²	163.2	83%	0.827	82%	0.82	S	S	*	*			trans	-168	131.2	142.6	-109	170.1	5.8	0	0	111.8
670	K	29.4	Very low	32.9	Very low	208 Å²	208	166.4 Å²	166.4	90%	0.904	82%	0.823	S	S	*	*			trans	79.1	89.2	170.9	-73.3	-177.7	173.7	-179.9	0	118.1
671	T	31.6	Very low	32.8	Very low	145 Å²	145	161.7 Å²	161.7	89%	0.89	82%	0.819	S	S	*	*			trans	-78.2	119	154.9	44.7	0	0	0	0	110.8
672	S	32.8	Very low	33.1	Very low	105 Å²	105	158.4 Å²	158.4	73%	0.734	81%	0.814	S	S	*	*			trans	-145.2	116.7	153.5	51.4	0	0	0	0	108.8
673	S	33	Very low	32.8	Very low	112 Å²	112	157 Å²	157	78%	0.783	81%	0.812	S	S	*	*			trans	49.5	100.1	152.6	57.2	0	0	0	0	121
674	I	35.8	Very low	32.6	Very low	158 Å²	158	159 Å²	159	81%	0.81	81%	0.814	S	S	*	*				12.1	141.7	123	-62.7	173.3	0	0	0	117.1
675	P	34.8	Very low	32.6	Very low	119 Å²	119	157.8 Å²	157.8	77%	0.773	81%	0.809	S	S	*	*			cis	-138.5	165.5	41.4	19	7.6	0	0	0	120.9
676	L	42.3	Very low	32.4	Very low	169 Å²	169	155.2 Å²	155.2	89%	0.885	80%	0.804	S	S	*	*			trans	-28.8	117.7	164.3	-100.4	69.1	0	0	0	116.2
677	N	30.3	Very low	32.5	Very low	161 Å²	161	158.8 Å²	158.8	86%	0.861	81%	0.813	S	S	*	*			trans	-166.8	95.8	132.4	-139.4	13.2	0	0	0	108.3
678	E	29.7	Very low	32.7	Very low	189 Å²	189	158.3 Å²	158.3	88%	0.883	82%	0.818	S	S	*	*			trans	178.9	94.8	159.1	-107.1	177.4	-153.6	0	0	110.6
679	L	29.1	Very low	32.5	Very low	156 Å²	156	153.3 Å²	153.3	82%	0.817	81%	0.806	S	S	*	*	S	Bend	trans	-160.8	72.5	145.8	-110.5	139.5	0	0	0	108.1
680	Y	31.6	Very low	32.2	Very low	208 Å²	208	152.6 Å²	152.6	82%	0.816	81%	0.808	S	S	*	*				161.7	124	122.4	-95.9	-80.9	0	0	0	109.9
681	P	30.7	Very low	32.3	Very low	117 Å²	117	147.8 Å²	147.8	76%	0.76	80%	0.8	S	S	*	*			trans	-82	161.8	171.2	32.9	-31.4	0	0	0	112
682	P	38.2	Very low	32.2	Very low	112 Å²	112	148.8 Å²	148.8	73%	0.727	80%	0.795	S	S	*	*			trans	-104	170	-176.2	39.9	-32	0	0	0	114
683	L	29.3	Very low	32.1	Very low	144 Å²	144	153.1 Å²	153.1	75%	0.754	80%	0.801	S	S	*	*			trans	113.2	121.7	147.8	-65.3	165.6	0	0	0	118.9
684	I	31.4	Very low	31.9	Very low	128 Å²	128	155.5 Å²	155.5	66%	0.656	80%	0.799	S	S	*	*				77.4	107.2	126.3	-74.8	173.9	0	0	0	117.7
685	N	30.3	Very low	31.5	Very low	142 Å²	142	156 Å²	156	76%	0.759	80%	0.796	S	S	*	*				165.7	121.1	106.9	-100.5	-29.8	0	0	0	108.3
686	L	30.2	Very low	31.2	Very low	155 Å²	155	159.4 Å²	159.4	81%	0.812	80%	0.801	S	S	*	*			trans	165.1	105.5	146.1	-94.4	146	0	0	0	105.8
687	W	33.6	Very low	30.4	Very low	244 Å²	244	154.5 Å²	154.5	92%	0.924	79%	0.792	S	S	*	*			trans	172.7	65	133.4	-80.6	15.3	0	0	0	107.5
688	E	32.9	Very low	30.3	Very low	190 Å²	190	153.6 Å²	153.6	89%	0.888	79%	0.792	S	S	*	*			trans	-87.3	148.1	131.8	-80.3	-178	158	0	0	106.2
689	A	29.8	Very low	30.2	Very low	80 Å²	80	150.1 Å²	150.1	66%	0.661	79%	0.788	S	S	*	*			trans	85.8	92.4	-172.5	0	0	0	0	0	114.2
690	D	30.4	Very low	30.2	Very low	163 Å²	163	151.8 Å²	151.8	87%	0.872	79%	0.792	S	S	*	*				-170.1	111.8	86.7	-87.9	-26.4	0	0	0	111.5
691	S	30.1	Very low	30.1	Very low	106 Å²	106	147.4 Å²	147.4	74%	0.741	79%	0.792	S	S	*	*			trans	-94	142.8	151.9	51.7	0	0	0	0	108.1
692	E	29.5	Very low	30	Very low	167 Å²	167	151.3 Å²	151.3	78%	0.78	80%	0.797	S	S	*	*			trans	91.8	98.5	172.4	-52.6	-169.2	169.1	0	0	117.2
693	K	30.4	Very low	29.7	Very low	196 Å²	196	152.3 Å²	152.3	85%	0.852	80%	0.804	S	S	*	*				174.2	142.3	98	-96.5	171.3	-174.5	170.5	0	113.3
694	E	29.1	Very low	29.8	Very low	162 Å²	162	150.8 Å²	150.8	76%	0.757	81%	0.805	S	S	*	*			trans	-66.7	152.6	175.4	-43.5	172.5	137.7	0	0	113.2
695	K	28.6	Very low	29.6	Very low	168 Å²	168	154.2 Å²	154.2	73%	0.73	82%	0.818	S	S	*	*				148.6	140.8	103	-111.9	171.2	-172	174.1	0	113.6
696	E	26.9	Very low	29.7	Very low	191 Å²	191	153.8 Å²	153.8	89%	0.893	82%	0.82	S	S	*	*			trans	67.2	137.3	164	-61.2	177.2	-179.5	0	0	116.7
697	G	26.3	Very low	29.7	Very low	66 Å²	66	152.3 Å²	152.3	68%	0.68	81%	0.813	S	S	*	*			cis	177.4	143.3	1.2	0	0	0	0	0	107.6
698	T	28.8	Very low	29.6	Very low	142 Å²	142	146.6 Å²	146.6	87%	0.871	81%	0.806	S	S	*	*			trans	26.4	119.1	157.7	51.5	0	0	0	0	121.3
699	S	27.4	Very low	29.5	Very low	115 Å²	115	142.9 Å²	142.9	80%	0.804	80%	0.796	S	S	*	*				169.5	132.5	111.9	62.2	0	0	0	0	113.3
700	E	28.7	Very low	29.5	Very low	192 Å²	192	149.1 Å²	149.1	90%	0.897	80%	0.802	S	S	*	*			trans	26.1	133.5	152	-70.1	179.5	154.1	0	0	123.5
701	S	29.4	Very low	29.5	Very low	116 Å²	116	146.6 Å²	146.6	81%	0.811	80%	0.798	S	S	*	*			trans	-64.3	136.4	176.6	53.2	0	0	0	0	116.5
702	K	29.5	Very low	29.4	Very low	198 Å²	198	151.5 Å²	151.5	86%	0.861	80%	0.801	S	S	*	*			trans	-163.2	139.2	138.4	-105.2	172.2	-173.4	178.3	0	109.7
703	P	31.1	Very low	29.3	Very low	134 Å²	134	154 Å²	154	87%	0.87	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-81.3	124.1	177.6	30.7	-29.7	0	0	0	111
704	S	30.4	Very low	29.1	Very low	112 Å²	112	153.1 Å²	153.1	78%	0.783	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-90.5	133.2	174.5	52.8	0	0	0	0	111.8
705	Q	28.5	Very low	29.4	Very low	199 Å²	199	160.6 Å²	160.6	93%	0.93	83%	0.828	S	S	*	*	P	Polyproline II helix	trans	-56.1	136.5	166.9	-90.5	173.2	-47.2	0	0	111.4
706	V	32.3	Very low	29.4	Very low	133 Å²	133	160.3 Å²	160.3	81%	0.806	83%	0.833	S	S	*	*			trans	-86.7	114.3	171.9	178.6	0	0	0	0	109	T708	V706-T708 HydrophobicContact CG1-CG2 4.41Å
707	D	29.5	Very low	29.5	Very low	124 Å²	124	158.6 Å²	158.6	66%	0.663	83%	0.829	S	S	*	*			trans	-89.4	124.4	172.9	-173.7	-11.5	0	0	0	109.5	T709	D707-T709 PolarHBondContact OD1-N 2.99Å; D707-T709 PolarHBondContact OD1-OG1 3.08Å
708	T	32.7	Very low	29.7	Very low	125 Å²	125	163.8 Å²	163.8	77%	0.767	84%	0.838	S	S	*	*			trans	-102.2	19.1	-171.6	47.3	0	0	0	0	114.4	V706 R710	V706-T708 HydrophobicContact CG1-CG2 4.41Å; T708-R710 PolarHBondContact O-N 2.81Å
709	T	29.9	Very low	29.7	Very low	111 Å²	111	165.1 Å²	165.1	68%	0.681	84%	0.836	S	S	*	*			trans	-90	26.7	-169.3	52.3	0	0	0	0	117.1	D707	D707-T709 PolarHBondContact OD1-N 2.99Å; D707-T709 PolarHBondContact OD1-OG1 3.08Å
710	R	29.9	Very low	29.9	Very low	212 Å²	212	168.2 Å²	168.2	80%	0.8	84%	0.838	S	S	*	*			trans	-127.9	97.4	176.1	-78	-173.6	171.2	-179.9	-1.6	114.4	T708	T708-R710 PolarHBondContact O-N 2.81Å
711	S	29.6	Very low	30	Very low	110 Å²	110	166.6 Å²	166.6	77%	0.769	83%	0.834	S	S	*	*			trans	-91.1	114.8	164.4	-36.8	0	0	0	0	109.7
712	Y	28.3	Very low	30	Very low	208 Å²	208	170.2 Å²	170.2	82%	0.816	84%	0.835	S	S	*	*			trans	-87.9	122	165.6	-87.9	-92.1	0	0	0	109.5
713	Y	28	Very low	30	Very low	219 Å²	219	168.1 Å²	168.1	86%	0.859	83%	0.833	S	S	*	*			trans	-81.5	132.2	163	-80.5	-88.3	0	0	0	109.4
714	M	26	Very low	30	Very low	178 Å²	178	170.9 Å²	170.9	88%	0.877	83%	0.83	S	S	*	*			trans	-160.9	111.1	149.1	-110.6	171.1	-172.5	0	0	110.9
715	W	34.6	Very low	29.9	Very low	320 Å²	320	176.3 Å²	176.3	100%	1.212	84%	0.835	S	S	*	*			trans	39.9	0	147.6	-63.4	81.5	0	0	0	121.5

Retrieved 715 of 715 residues in 372.3 ms (Link to these results)

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