A0A061IJZ2_CRIGR Loading...

Keratocan

AlphaFold DB , UniProt , Accession A0A061IJZ2, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Kera, Length 351 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	41.7	Very low	34.5	Very low	247 Å²	247	156.3 Å²	156.3	100%	1.217	86%	0.855	S	S	*	*				0	85.6	0	-76.3	-176.1	-90.1	0	0	107.9
2	A	29.7	Very low	34.3	Very low	95 Å²	95	156.1 Å²	156.1	79%	0.785	85%	0.851	S	S	*	*			trans	-73.9	143.6	159.2	0	0	0	0	0	107.1
3	T	34	Very low	34.1	Very low	128 Å²	128	155.5 Å²	155.5	79%	0.785	85%	0.846	S	S	*	*				-169.2	140.2	79.4	46.2	0	0	0	0	106.5
4	S	35.6	Very low	33.8	Very low	109 Å²	109	156.9 Å²	156.9	76%	0.762	85%	0.849	S	S	*	*				-168.8	106	63.5	-82.1	0	0	0	0	109.9
5	I	39.2	Very low	33.6	Very low	175 Å²	175	152.5 Å²	152.5	90%	0.897	84%	0.842	S	S	*	*			trans	-144	95	153	-57.4	177.7	0	0	0	105.1
6	C	34.4	Very low	33.4	Very low	116 Å²	116	152.1 Å²	152.1	78%	0.784	84%	0.839	S	S	*	*			trans	-172.6	110.3	162.3	-149	0	0	0	0	108.7
7	L	34.4	Very low	33.3	Very low	177 Å²	177	150.6 Å²	150.6	93%	0.927	84%	0.835	S	S	*	*			trans	-177.7	73	145.9	-98.1	147.3	0	0	0	109.4
8	L	34.3	Very low	33	Very low	155 Å²	155	148.5 Å²	148.5	81%	0.812	83%	0.827	S	S	*	*	S	Bend	trans	-134.5	127.8	148.3	-103	156.9	0	0	0	106.4
9	L	33.6	Very low	32.9	Very low	150 Å²	150	154.3 Å²	154.3	79%	0.785	84%	0.835	S	S	*	*			trans	81.3	71.7	155.2	-67.5	153.4	0	0	0	120.5
10	W	30.4	Very low	33	Very low	251 Å²	251	152.5 Å²	152.5	95%	0.951	83%	0.829	S	S	*	*			trans	-156.9	117.8	148	-87	82.1	0	0	0	103.4
11	V	32.6	Very low	33	Very low	116 Å²	116	154.3 Å²	154.3	70%	0.703	83%	0.832	S	S	*	*			cis	-167.6	128.2	45.1	169.9	0	0	0	0	108.7
12	L	31.3	Very low	32.5	Very low	154 Å²	154	147.1 Å²	147.1	81%	0.806	81%	0.806	S	S	*	*			trans	-75.5	149.6	152	-98.1	150.3	0	0	0	108.9
13	L	31.9	Very low	32.6	Very low	149 Å²	149	149 Å²	149	78%	0.78	81%	0.807	S	S	*	*			trans	87.1	83.8	160.6	-65.8	135.2	0	0	0	119
14	I	30.3	Very low	32.4	Very low	175 Å²	175	154.1 Å²	154.1	90%	0.897	81%	0.812	S	S	*	*				-152.3	123.2	128.2	-34.6	174.5	0	0	0	103.5
15	A	30.9	Very low	32.4	Very low	90 Å²	90	157 Å²	157	74%	0.744	81%	0.814	S	S	*	*			cis	-150.4	130.3	31.5	0	0	0	0	0	110.1
16	N	30.7	Very low	32	Very low	146 Å²	146	153.6 Å²	153.6	78%	0.781	81%	0.812	S	S	*	*			trans	-73.5	136.1	143.9	-94.3	-31	0	0	0	107
17	T	31.1	Very low	31.8	Very low	128 Å²	128	157.6 Å²	157.6	79%	0.785	81%	0.812	S	S	*	*				155.4	141.7	119.1	49.8	0	0	0	0	112.1
18	V	28.9	Very low	31.7	Very low	112 Å²	112	157.6 Å²	157.6	68%	0.679	81%	0.807	S	S	*	*			trans	78.2	97.4	158.8	-158.4	0	0	0	0	116.7
19	W	29.6	Very low	31.9	Very low	258 Å²	258	156.2 Å²	156.2	98%	0.977	81%	0.805	S	S	*	*				-148.3	111.3	113.6	-93.8	87.3	0	0	0	108
20	T	35.3	Very low	31.8	Very low	119 Å²	119	156.2 Å²	156.2	73%	0.73	81%	0.805	S	S	*	*			trans	-109.8	127.9	171.7	47.1	0	0	0	0	108.9
21	Q	32.8	Very low	31.8	Very low	190 Å²	190	150.8 Å²	150.8	89%	0.888	79%	0.794	S	S	*	*			trans	164.7	137.9	148.2	-95.8	172.8	10.3	0	0	106.5
22	S	31.6	Very low	32.3	Very low	96 Å²	96	153.2 Å²	153.2	67%	0.671	80%	0.802	S	S	*	*			cis	-179.2	129	-14.3	43.6	0	0	0	0	105.7
23	V	32.7	Very low	32.5	Very low	134 Å²	134	154.3 Å²	154.3	81%	0.812	80%	0.804	S	S	*	*			trans	49.9	116	141.2	-162	0	0	0	0	119.7
24	R	29.6	Very low	32.9	Very low	236 Å²	236	155.5 Å²	155.5	89%	0.891	81%	0.805	S	S	*	*				-179.6	130.8	109.6	-96.3	-178.5	-173.2	-168.7	0.6	111.9
25	Q	35.6	Very low	33.1	Very low	171 Å²	171	158.2 Å²	158.2	80%	0.799	80%	0.804	S	S	*	*			trans	-56.2	135.5	158.1	-91.6	165.1	-46.2	0	0	110.3
26	A	29.1	Very low	33.4	Very low	102 Å²	102	159.7 Å²	159.7	84%	0.843	80%	0.8	S	S	*	*			trans	-131	122.8	152	0	0	0	0	0	107
27	Y	31.5	Very low	34	Very low	200 Å²	200	158.8 Å²	158.8	78%	0.784	80%	0.799	S	S	*	*			trans	-77.2	166	170.3	-91.2	-94.8	0	0	0	110.5
28	E	31.7	Very low	34.6	Very low	177 Å²	177	159.7 Å²	159.7	83%	0.827	79%	0.794	S	S	*	*			trans	91.8	100.3	165.6	-65.6	175.9	166.7	0	0	115.6
29	V	38.4	Very low	35.6	Very low	127 Å²	127	161.8 Å²	161.8	77%	0.77	80%	0.802	S	S	*	*				85.8	133.3	81.1	166.6	0	0	0	0	111.2
30	L	31.8	Very low	36.9	Very low	149 Å²	149	155.7 Å²	155.7	78%	0.78	79%	0.788	S	S	*	*			trans	91	125.3	-177.6	-57.3	151.3	0	0	0	112.6
31	D	30.6	Very low	38.9	Very low	137 Å²	137	156 Å²	156	73%	0.733	78%	0.78	S	S	*	*			cis	-150.3	151	17.3	-95.4	-41.8	0	0	0	111.5	E33	D31-E33 PolarHBondContact O-N 3.4Å
32	L	42.7	Very low	41.6	Very low	167 Å²	167	152.1 Å²	152.1	87%	0.874	76%	0.76	S	S	*	*			trans	-63.5	113.7	165.4	-73.2	142.9	0	0	0	109.2
33	E	35.5	Very low	44.6	Very low	178 Å²	178	149.5 Å²	149.5	83%	0.832	74%	0.741	S	S	*	*			trans	-109.4	109.6	151.6	-84.6	-169.6	162.7	0	0	108.4	D31 W35	D31-E33 PolarHBondContact O-N 3.4Å; E33-W35 PolarHBondContact O-N 2.83Å
34	E	40.3	Very low	47.6	Very low	174 Å²	174	143.4 Å²	143.4	81%	0.813	70%	0.704	S	S	*	*			trans	-44.6	110.1	169.4	-74.8	160.7	138.6	0	0	111.3	D36	E34-D36 PolarHBondContact O-N 3.46Å
35	W	35.9	Very low	50.8	Low	232 Å²	232	144.1 Å²	144.1	88%	0.879	71%	0.707	S	S	*	*			trans	-88.5	92.8	151.9	-72.1	51	0	0	0	105.1	E33 V37	E33-W35 PolarHBondContact O-N 2.83Å; W35-V37 VanDerWaalsContact C-N 3.26Å; W35-V37 PolarHBondContact O-N 3.2Å
36	D	35.8	Very low	53.7	Low	121 Å²	121	140.2 Å²	140.2	65%	0.647	69%	0.689	S	S	*	*			trans	-65.7	86.1	178	-145.5	3.2	0	0	0	108.8	E34 H38	E34-D36 PolarHBondContact O-N 3.46Å; D36-H38 PolarHBondContact O-N 3.36Å; D36-H38 VanDerWaalsContact O-N 3.08Å; D36-H38 WeakPolarHBondContact OD1-CB 3.41Å; D36-H38 IonicContact OD1-CD2 3.27Å; D36-H38 PolarHBondContact OD1-CD2 3.22Å; D36-H38 VanDerWaalsContact OD1-CD2 3.22Å; D36-H38 IonicContact OD1-CG 2.7Å
37	V	43.8	Very low	57	Low	127 Å²	127	136.1 Å²	136.1	77%	0.77	65%	0.654	S	S	*	*			trans	-81.4	49	169.1	-169.2	0	0	0	0	108.5	W35	W35-V37 VanDerWaalsContact C-N 3.26Å; W35-V37 PolarHBondContact O-N 3.2Å
38	H	42.7	Very low	60.1	Low	146 Å²	146	131.7 Å²	131.7	68%	0.676	64%	0.639	S	S	*	*			trans	-123.6	64.7	-176.2	-74.7	-37.5	0	0	0	111.2	D36	D36-H38 PolarHBondContact O-N 3.36Å; D36-H38 VanDerWaalsContact O-N 3.08Å; D36-H38 WeakPolarHBondContact OD1-CB 3.41Å; D36-H38 IonicContact OD1-CD2 3.27Å; D36-H38 PolarHBondContact OD1-CD2 3.22Å; D36-H38 VanDerWaalsContact OD1-CD2 3.22Å; D36-H38 IonicContact OD1-CG 2.7Å
39	D	51	Low	63.2	Low	157 Å²	157	124.2 Å²	124.2	84%	0.84	61%	0.606	S	S	*	*	S	Bend	trans	-113.3	79.3	134.3	-147.6	7	0	0	0	105.6	F41	D39-F41 PolarHBondContact O-N 2.96Å; D39-F41 VanDerWaalsContact O-N 3.1Å
40	D	57.2	Low	65.9	Low	129 Å²	129	118.8 Å²	118.8	69%	0.69	57%	0.573	S	S	*	*			trans	-49.7	119.4	-175.7	-154.3	3.1	0	0	0	107.7	F42	D40-F42 PolarHBondContact O-N 3.37Å
41	F	77.6	Confident	68.8	Low	127 Å²	127	117.4 Å²	117.4	56%	0.557	57%	0.573	S	S	*	*			trans	-73.6	63.3	-172.1	-128.4	-92.9	0	0	0	109.1	D39 C43 P54 R73	D39-F41 PolarHBondContact O-N 2.96Å; D39-F41 VanDerWaalsContact O-N 3.1Å; F41-C43 PolarHBondContact O-N 2.67Å; F41-C43 VanDerWaalsContact O-N 3.17Å; F41-P54 HydrophobicContact CE1-CB 3.4Å; F41-P54 VanDerWaalsContact CE1-CB 3.4Å; F41-P54 HydrophobicContact CZ-CB 3.52Å; F41-P54 HydrophobicContact CZ-CG 4.46Å; F41-R73 VanDerWaalsContact CE1-NE 3.34Å
42	F	88.6	Confident	71.9	Confident	108 Å²	108	116.2 Å²	116.2	47%	0.474	58%	0.576	S	S	.	*			trans	-56.9	124.6	-167.6	173.3	-105.1	0	0	0	109.1	D40 P44 A69 P71 R73	D40-F42 PolarHBondContact O-N 3.37Å; F42-P44 HydrophobicContact CE1-CG 4.24Å; F42-A69 HydrophobicContact CE1-CB 4.36Å; F42-P71 HydrophobicContact CD1-CB 4.33Å; F42-P71 HydrophobicContact CD1-CG 3.89Å; F42-P71 HydrophobicContact CE1-CG 4.41Å; F42-P71 WeakPolarHBondContact O-CG 3.3Å; F42-R73 PolarHBondContact O-NH1 2.8Å; F42-R73 PolarHBondContact O-NH2 3.45Å; F42-R73 VanDerWaalsContact O-NH2 3.08Å
43	C	95.1	Very high	74.5	Confident	41 Å²	41	112.1 Å²	112.1	28%	0.277	55%	0.551	S	S	.	*			trans	-130.9	125.5	174.9	-165.6	0	0	0	0	107.8	F41 R45 C49	F41-C43 PolarHBondContact O-N 2.67Å; F41-C43 VanDerWaalsContact O-N 3.17Å; C43-R45 PolarHBondContact O-N 2.94Å; C43-C49 HydrophobicContact CB-CB 3.86Å; C43-C49 WeakPolarHBondContact CB-SG 3.37Å; C43-C49 WeakPolarHBondContact SG-CB 3.42Å; C43-C49 PolarHBondContact SG-N 3.37Å; C43-C49 CovalentContact SG-SG 2.04Å; C43-C49 PolarHBondContact SG-SG 2.77Å
44	P	96.2	Very high	77.3	Confident	6 Å²	6	105.7 Å²	105.7	4%	0.039	53%	0.525	C	S	.	.			trans	-53.8	136.6	173.2	-25.8	34.9	0	0	0	110.9	F42 E46 C47 L57 P68 A69	F42-P44 HydrophobicContact CE1-CG 4.24Å; P44-E46 HydrophobicContact CB-CG 4.26Å; P44-E46 WeakPolarHBondContact CB-OE2 2.98Å; P44-E46 PolarHBondContact O-N 3.44Å; P44-C47 HydrophobicContact CB-CB 4.17Å; P44-C47 CarbonylContact O-C 3.53Å; P44-C47 PolarHBondContact O-N 2.97Å; P44-L57 HydrophobicContact CG-CD1 4.43Å; P44-L57 HydrophobicContact CG-CD2 4.33Å; P44-P68 HydrophobicContact CB-CB 3.94Å; P44-P68 HydrophobicContact CG-CB 4.14Å; P44-A69 WeakPolarHBondContact CG-O 3.18Å
45	R	95.9	Very high	80	Confident	250 Å²	250	99 Å²	99	94%	0.943	50%	0.496	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-29.5	-173.6	-68.7	-176.9	175.9	178.7	-0.7	112.4	C43 C47	C43-R45 PolarHBondContact O-N 2.94Å; R45-C47 PolarHBondContact O-N 3.27Å
46	E	96.7	Very high	83	Confident	90 Å²	90	88 Å²	88	42%	0.421	45%	0.454	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.8	-1.9	175.4	63.3	-91.8	-131.4	0	0	112.9	P44 R62 L64 P68	P44-E46 HydrophobicContact CB-CG 4.26Å; P44-E46 WeakPolarHBondContact CB-OE2 2.98Å; P44-E46 PolarHBondContact O-N 3.44Å; E46-R62 WeakPolarHBondContact O-CD 3.49Å; E46-R62 PolarHBondContact O-NE 3.32Å; E46-L64 HydrophobicContact CB-CD2 3.97Å; E46-L64 HydrophobicContact CG-CD2 4.13Å; E46-P68 HydrophobicContact CG-CB 4.08Å; E46-P68 VanDerWaalsContact OE1-CB 3.3Å; E46-P68 WeakPolarHBondContact OE1-CB 3.31Å
47	C	98.1	Very high	85.9	Confident	16 Å²	16	82.2 Å²	82.2	11%	0.108	42%	0.423	C	S	.	.	S	Bend	trans	-128.9	175.8	-178	-59.4	0	0	0	0	111.8	P44 R45 L57 Y58 C59	P44-C47 HydrophobicContact CB-CB 4.17Å; P44-C47 CarbonylContact O-C 3.53Å; P44-C47 PolarHBondContact O-N 2.97Å; R45-C47 PolarHBondContact O-N 3.27Å; C47-L57 HydrophobicContact CB-CD1 3.46Å; C47-L57 VanDerWaalsContact CB-CD1 3.46Å; C47-L57 HydrophobicContact CB-CG 4.24Å; C47-Y58 CarbonylContact C-O 3.19Å; C47-Y58 WeakPolarHBondContact CA-O 3.33Å; C47-Y58 WeakPolarHBondContact CB-O 3.03Å; C47-C59 HydrophobicContact CB-CB 4.14Å; C47-C59 WeakPolarHBondContact CB-SG 3.02Å; C47-C59 WeakPolarHBondContact SG-CB 3.05Å; C47-C59 CovalentContact SG-SG 2.03Å; C47-C59 PolarHBondContact SG-SG 3.08Å
48	F	97.8	Very high	88.6	Confident	106 Å²	106	79.2 Å²	79.2	47%	0.465	40%	0.399	S	S	.	.	B	Isolated β-bridge	trans	-124.5	132.7	177.6	174.8	-110.2	0	0	0	110.9	P50 Y58	F48-P50 HydrophobicContact CE1-CB 3.68Å; F48-P50 HydrophobicContact CE1-CG 4.14Å; F48-P50 HydrophobicContact CZ-CB 3.94Å; F48-Y58 HydrophobicContact CD1-CD2 4.2Å; F48-Y58 PolarHBondContact N-O 2.94Å; F48-Y58 PolarHBondContact O-N 2.97Å
49	C	96.8	Very high	91.2	Very high	20 Å²	20	72.3 Å²	72.3	14%	0.135	37%	0.367	C	S	.	.			trans	-119.8	103	176.1	-55.3	0	0	0	0	108.7	C43 L57 R73	C43-C49 HydrophobicContact CB-CB 3.86Å; C43-C49 WeakPolarHBondContact CB-SG 3.37Å; C43-C49 WeakPolarHBondContact SG-CB 3.42Å; C43-C49 PolarHBondContact SG-N 3.37Å; C43-C49 CovalentContact SG-SG 2.04Å; C43-C49 PolarHBondContact SG-SG 2.77Å; C49-L57 WeakPolarHBondContact SG-CD1 3.27Å; C49-R73 PolarHBondContact SG-NH2 2.94Å
50	P	95.1	Very high	93.5	Very high	13 Å²	13	66.5 Å²	66.5	8%	0.084	33%	0.334	C	S	.	.			trans	-68.8	129.9	-178.4	23.8	-31	0	0	0	111.3	F48 S52 F53 Y58	F48-P50 HydrophobicContact CE1-CB 3.68Å; F48-P50 HydrophobicContact CE1-CG 4.14Å; F48-P50 HydrophobicContact CZ-CB 3.94Å; P50-S52 PolarHBondContact O-N 3.39Å; P50-F53 HydrophobicContact CG-CB 4Å; P50-F53 CarbonylContact O-C 3.53Å; P50-F53 PolarHBondContact O-N 3.25Å; P50-Y58 HydrophobicContact CG-CD2 4.06Å; P50-Y58 HydrophobicContact CG-CE2 3.63Å
51	P	92.8	Very high	95.4	Very high	120 Å²	120	65.4 Å²	65.4	78%	0.779	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.8	176.4	-25.8	34.8	0	0	0	113.5	F53	P51-F53 VanDerWaalsContact C-N 3.28Å; P51-F53 PolarHBondContact O-N 3.41Å
52	S	95.8	Very high	96.4	Very high	113 Å²	113	64 Å²	64	79%	0.79	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.5	-17.5	177.1	58.7	0	0	0	0	113.7	P50	P50-S52 PolarHBondContact O-N 3.39Å
53	F	96.1	Very high	96.9	Very high	80 Å²	80	60.5 Å²	60.5	35%	0.351	31%	0.314	S	S	.	.	S	Bend	trans	-141.2	68.9	179.5	-163.8	-132.2	0	0	0	110.6	P50 P51 T55 A56 Y76	P50-F53 HydrophobicContact CG-CB 4Å; P50-F53 CarbonylContact O-C 3.53Å; P50-F53 PolarHBondContact O-N 3.25Å; P51-F53 VanDerWaalsContact C-N 3.28Å; P51-F53 PolarHBondContact O-N 3.41Å; F53-T55 PolarHBondContact O-N 3.31Å; F53-A56 HydrophobicContact CD1-CB 3.3Å; F53-A56 HydrophobicContact CE1-CB 3.59Å; F53-A56 HydrophobicContact CG-CB 4.27Å; F53-A56 PolarHBondContact O-N 3.1Å; F53-Y76 AromaticContact CE1-CD2 3.81Å; F53-Y76 HydrophobicContact CE1-CD2 3.81Å; F53-Y76 HydrophobicContact CE1-CE2 4.21Å; F53-Y76 HydrophobicContact CE1-CG 4.35Å; F53-Y76 HydrophobicContact CE2-CE2 4.4Å; F53-Y76 AromaticContact CZ-CD2 3.61Å; F53-Y76 HydrophobicContact CZ-CD2 3.61Å; F53-Y76 AromaticContact CZ-CE2 3.53Å; F53-Y76 HydrophobicContact CZ-CE2 3.53Å; F53-Y76 HydrophobicContact CZ-CG 4.45Å
54	P	94.5	Very high	97.1	Very high	44 Å²	44	59.6 Å²	59.6	29%	0.286	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-12.5	-165.3	26.5	-36.1	0	0	0	114.8	F41 R73	F41-P54 HydrophobicContact CE1-CB 3.4Å; F41-P54 VanDerWaalsContact CE1-CB 3.4Å; F41-P54 HydrophobicContact CZ-CB 3.52Å; F41-P54 HydrophobicContact CZ-CG 4.46Å; P54-R73 WeakPolarHBondContact O-CD 3.49Å; P54-R73 PolarHBondContact O-NE 2.89Å
55	T	96.9	Very high	97.1	Very high	34 Å²	34	67.8 Å²	67.8	21%	0.209	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.9	-0.2	178.3	56.8	0	0	0	0	113.1	F53 I74 W75 Y76	F53-T55 PolarHBondContact O-N 3.31Å; T55-I74 CarbonylContact O-C 3.53Å; T55-I74 WeakPolarHBondContact O-CA 3.18Å; T55-W75 HydrophobicContact CG2-CG 4.33Å; T55-W75 PolarHBondContact O-N 3.17Å; T55-Y76 PolarHBondContact O-N 2.03Å; T55-Y76 VanDerWaalsContact O-N 3.16Å
56	A	98.2	Very high	97.2	Very high	0 Å²	0	63 Å²	63	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.3	174.5	0	0	0	0	0	112.5	F53 Y58 Y76 Y78	F53-A56 HydrophobicContact CD1-CB 3.3Å; F53-A56 HydrophobicContact CE1-CB 3.59Å; F53-A56 HydrophobicContact CG-CB 4.27Å; F53-A56 PolarHBondContact O-N 3.1Å; A56-Y58 HydrophobicContact CB-CD2 4.22Å; A56-Y58 HydrophobicContact CB-CE2 3.48Å; A56-Y58 VanDerWaalsContact CB-CE2 3.48Å; A56-Y76 WeakPolarHBondContact CA-O 3.3Å; A56-Y78 HydrophobicContact CB-CE2 4.35Å
57	L	98.3	Very high	97.3	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	115.7	174.9	179.6	62.1	0	0	0	109.3	P44 C47 C49 I70 I74 Y76 L77 Y78	P44-L57 HydrophobicContact CG-CD1 4.43Å; P44-L57 HydrophobicContact CG-CD2 4.33Å; C47-L57 HydrophobicContact CB-CD1 3.46Å; C47-L57 VanDerWaalsContact CB-CD1 3.46Å; C47-L57 HydrophobicContact CB-CG 4.24Å; C49-L57 WeakPolarHBondContact SG-CD1 3.27Å; L57-I70 HydrophobicContact CD2-CD1 3.81Å; L57-I70 HydrophobicContact CD2-CG2 4.45Å; L57-I74 HydrophobicContact CB-CD1 3.88Å; L57-I74 HydrophobicContact CB-CG1 3.99Å; L57-I74 HydrophobicContact CB-CG2 3.85Å; L57-Y76 PolarHBondContact N-O 3.21Å; L57-L77 HydrophobicContact CB-CD1 4.12Å; L57-L77 HydrophobicContact CD2-CD1 3.81Å; L57-L77 HydrophobicContact CG-CD1 4.04Å; L57-Y78 PolarHBondContact O-N 3.31Å
58	Y	98.7	Very high	97.2	Very high	64 Å²	64	58.7 Å²	58.7	25%	0.251	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	109.4	-176.9	-66.7	-88.6	0	0	0	110.6	C47 F48 P50 A56 E60 R62 Y78	C47-Y58 CarbonylContact C-O 3.19Å; C47-Y58 WeakPolarHBondContact CA-O 3.33Å; C47-Y58 WeakPolarHBondContact CB-O 3.03Å; F48-Y58 HydrophobicContact CD1-CD2 4.2Å; F48-Y58 PolarHBondContact N-O 2.94Å; F48-Y58 PolarHBondContact O-N 2.97Å; P50-Y58 HydrophobicContact CG-CD2 4.06Å; P50-Y58 HydrophobicContact CG-CE2 3.63Å; A56-Y58 HydrophobicContact CB-CD2 4.22Å; A56-Y58 HydrophobicContact CB-CE2 3.48Å; A56-Y58 VanDerWaalsContact CB-CE2 3.48Å; Y58-E60 VanDerWaalsContact C-OE2 3.27Å; Y58-E60 WeakPolarHBondContact CA-OE2 3.3Å; Y58-E60 VanDerWaalsContact CB-OE2 3.25Å; Y58-E60 WeakPolarHBondContact CB-OE2 3.25Å; Y58-R62 PolarHBondContact O-NH2 3.08Å; Y58-Y78 AromaticContact CD1-CD2 3.64Å; Y58-Y78 HydrophobicContact CD1-CD2 3.64Å; Y58-Y78 HydrophobicContact CD1-CE2 4.22Å; Y58-Y78 AromaticContact CD1-CG 3.98Å; Y58-Y78 HydrophobicContact CD1-CG 3.98Å; Y58-Y78 AromaticContact CE1-CD2 3.53Å; Y58-Y78 HydrophobicContact CE1-CD2 3.53Å; Y58-Y78 AromaticContact CE1-CE2 3.61Å; Y58-Y78 HydrophobicContact CE1-CE2 3.61Å; Y58-Y78 HydrophobicContact CE1-CG 4.06Å; Y58-Y78 HydrophobicContact CG-CD2 4.22Å; Y58-Y78 AromaticContact CZ-CE2 3.79Å
59	C	98.6	Very high	97.1	Very high	0 Å²	0	56.4 Å²	56.4	0%	0	31%	0.305	C	S	.	.			trans	-127.1	9.4	-177.9	-55.7	0	0	0	0	111.9	C47 L64 Y78 L79 N82	C47-C59 HydrophobicContact CB-CB 4.14Å; C47-C59 WeakPolarHBondContact CB-SG 3.02Å; C47-C59 WeakPolarHBondContact SG-CB 3.05Å; C47-C59 CovalentContact SG-SG 2.03Å; C47-C59 PolarHBondContact SG-SG 3.08Å; C59-L64 HydrophobicContact CB-CD1 3.73Å; C59-L64 WeakPolarHBondContact O-CD1 3.04Å; C59-Y78 CarbonylContact C-O 3.59Å; C59-Y78 VanDerWaalsContact CA-O 3.3Å; C59-Y78 WeakPolarHBondContact CA-O 3.24Å; C59-Y78 VanDerWaalsContact CB-O 3.27Å; C59-Y78 WeakPolarHBondContact CB-O 3.49Å; C59-Y78 PolarHBondContact N-O 3.37Å; C59-L79 HydrophobicContact CB-CD2 3.43Å; C59-L79 VanDerWaalsContact CB-CD2 3.43Å; C59-L79 HydrophobicContact CB-CG 4.22Å; C59-N82 PolarHBondContact O-ND2 3Å
60	E	98.6	Very high	97.1	Very high	35 Å²	35	55.9 Å²	55.9	16%	0.164	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68	152.5	-176.8	68.9	-64.5	145	0	0	114.1	Y58 R62 Y78 E80	Y58-E60 VanDerWaalsContact C-OE2 3.27Å; Y58-E60 WeakPolarHBondContact CA-OE2 3.3Å; Y58-E60 VanDerWaalsContact CB-OE2 3.25Å; Y58-E60 WeakPolarHBondContact CB-OE2 3.25Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 WeakPolarHBondContact O-CG 3.38Å; E60-R62 PolarHBondContact O-N 2.99Å; E60-R62 PolarHBondContact O-NH1 2.81Å; E60-R62 IonicContact OE1-CZ 3.22Å; E60-R62 IonicContact OE1-NH1 3.96Å; E60-R62 PolarHBondContact OE1-NH1 3.45Å; E60-R62 IonicContact OE1-NH2 3.61Å; E60-R62 IonicContact OE2-NH1 3.95Å; E60-Y78 PolarHBondContact N-O 2.82Å; E60-Y78 WeakPolarHBondContact OE2-CB 3.27Å; E60-E80 CarbonylContact C-O 3.45Å; E60-E80 WeakPolarHBondContact CA-O 3.36Å; E60-E80 HydrophobicContact CB-CG 3.84Å; E60-E80 WeakPolarHBondContact CB-O 3.17Å
61	N	98.4	Very high	97.2	Very high	106 Å²	106	55.7 Å²	55.7	57%	0.567	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.9	33.8	173.4	-52.3	-72.8	0	0	0	115.9	E80 N81	N61-E80 PolarHBondContact N-O 3.39Å; N61-N81 VanDerWaalsContact CA-O 3.31Å; N61-N81 WeakPolarHBondContact CA-O 3.19Å; N61-N81 PolarHBondContact N-O 3.28Å; N61-N81 WeakPolarHBondContact OD1-CB 3.48Å; N61-N81 PolarHBondContact OD1-ND2 2.85Å
62	R	98.1	Very high	97.3	Very high	98 Å²	98	53.5 Å²	53.5	37%	0.37	29%	0.287	S	S	.	.	S	Bend	trans	-117.6	4.4	-174	-73	169.2	177.8	81.9	-9.8	114.2	E46 Y58 E60 L64 N82	E46-R62 WeakPolarHBondContact O-CD 3.49Å; E46-R62 PolarHBondContact O-NE 3.32Å; Y58-R62 PolarHBondContact O-NH2 3.08Å; E60-R62 VanDerWaalsContact C-N 3.34Å; E60-R62 WeakPolarHBondContact O-CG 3.38Å; E60-R62 PolarHBondContact O-N 2.99Å; E60-R62 PolarHBondContact O-NH1 2.81Å; E60-R62 IonicContact OE1-CZ 3.22Å; E60-R62 IonicContact OE1-NH1 3.96Å; E60-R62 PolarHBondContact OE1-NH1 3.45Å; E60-R62 IonicContact OE1-NH2 3.61Å; E60-R62 IonicContact OE2-NH1 3.95Å; R62-L64 HydrophobicContact CB-CD2 4.13Å; R62-L64 HydrophobicContact CB-CG 3.98Å; R62-L64 PolarHBondContact O-N 2.04Å; R62-N82 PolarHBondContact N-OD1 3.03Å
63	G	98.2	Very high	97.2	Very high	34 Å²	34	50.6 Å²	50.6	35%	0.351	26%	0.258	S	S	.	.			trans	66.2	25	-178.5	0	0	0	0	0	113.3	N82	G63-N82 PolarHBondContact N-OD1 2.9Å
64	L	98.5	Very high	97.3	Very high	23 Å²	23	46.8 Å²	46.8	12%	0.12	24%	0.241	C	C	.	.			trans	-62.7	138.2	179.9	-57.4	-178.2	0	0	0	110.4	E46 C59 R62 L79 N82 Q83 I84	E46-L64 HydrophobicContact CB-CD2 3.97Å; E46-L64 HydrophobicContact CG-CD2 4.13Å; C59-L64 HydrophobicContact CB-CD1 3.73Å; C59-L64 WeakPolarHBondContact O-CD1 3.04Å; R62-L64 HydrophobicContact CB-CD2 4.13Å; R62-L64 HydrophobicContact CB-CG 3.98Å; R62-L64 PolarHBondContact O-N 2.04Å; L64-L79 HydrophobicContact CD1-CD2 4.08Å; L64-N82 HydrophobicContact CB-CB 4.13Å; L64-N82 PolarHBondContact N-OD1 3.08Å; L64-Q83 CarbonylContact O-C 3.46Å; L64-Q83 VanDerWaalsContact O-CA 3.27Å; L64-Q83 WeakPolarHBondContact O-CA 3.4Å; L64-Q83 PolarHBondContact O-N 3.41Å; L64-I84 HydrophobicContact CB-CG1 4.37Å; L64-I84 PolarHBondContact O-N 2.77Å
65	R	98	Very high	97.5	Very high	178 Å²	178	48.7 Å²	48.7	67%	0.672	24%	0.243	S	C	*	.	S	Bend	trans	-102.3	-18.6	174.5	-66.2	-175.7	178.6	-176.8	0.1	113.2	Q83 I84	R65-Q83 HydrophobicContact CG-CB 4.19Å; R65-I84 WeakPolarHBondContact O-CA 3.36Å
66	E	97.4	Very high	97.6	Very high	149 Å²	149	50.1 Å²	50.1	70%	0.696	25%	0.245	S	C	*	.	S	Bend	trans	-133.5	153.1	-177.1	-64.8	-178	-172.8	0	0	109.6
67	I	98.3	Very high	97.6	Very high	9 Å²	9	50.1 Å²	50.1	5%	0.046	25%	0.245	C	C	.	.	P	Polyproline II helix	trans	-77.5	122.6	175.1	-59.7	-176.7	0	0	0	108.2	I70 L79 I84 I87 P91 F92 L103	I67-I70 HydrophobicContact CG2-CD1 4.1Å; I67-I70 HydrophobicContact CG2-CG1 4.42Å; I67-L79 HydrophobicContact CD1-CD1 4.47Å; I67-L79 HydrophobicContact CG1-CD1 4.29Å; I67-L79 HydrophobicContact CG2-CD1 3.98Å; I67-I84 HydrophobicContact CD1-CG2 4.37Å; I67-I84 HydrophobicContact CG1-CD1 4.22Å; I67-I84 HydrophobicContact CG1-CG2 3.87Å; I67-I87 HydrophobicContact CD1-CB 4.41Å; I67-I87 HydrophobicContact CD1-CG1 4.29Å; I67-I87 HydrophobicContact CD1-CG2 4.25Å; I67-P91 HydrophobicContact CB-CB 4.45Å; I67-P91 HydrophobicContact CB-CG 4.34Å; I67-P91 HydrophobicContact CG2-CB 3.92Å; I67-P91 HydrophobicContact CG2-CG 4.35Å; I67-F92 HydrophobicContact CD1-CE2 3.96Å; I67-F92 HydrophobicContact CD1-CZ 3.68Å; I67-F92 HydrophobicContact CG2-CE2 4.44Å; I67-F92 HydrophobicContact CG2-CZ 4Å; I67-L103 HydrophobicContact CD1-CD2 4.19Å
68	P	96.9	Very high	97.6	Very high	7 Å²	7	52.4 Å²	52.4	5%	0.045	25%	0.254	C	S	.	.	P	Polyproline II helix	trans	-69.6	163.5	180	31.9	-37	0	0	0	111	P44 E46 I70 P91	P44-P68 HydrophobicContact CB-CB 3.94Å; P44-P68 HydrophobicContact CG-CB 4.14Å; E46-P68 HydrophobicContact CG-CB 4.08Å; E46-P68 VanDerWaalsContact OE1-CB 3.3Å; E46-P68 WeakPolarHBondContact OE1-CB 3.31Å; P68-I70 HydrophobicContact CG-CD1 4.34Å; P68-I70 WeakPolarHBondContact O-CD1 3.1Å; P68-I70 WeakPolarHBondContact O-CG1 2.87Å; P68-I70 PolarHBondContact O-N 2.66Å; P68-P91 WeakPolarHBondContact O-CB 3.27Å
69	A	96.1	Very high	97.6	Very high	58 Å²	58	49.3 Å²	49.3	48%	0.479	24%	0.242	S	C	.	.	P	Polyproline II helix	trans	-58.8	124	174.2	0	0	0	0	0	110.7	F42 P44 P71	F42-A69 HydrophobicContact CE1-CB 4.36Å; P44-A69 WeakPolarHBondContact CG-O 3.18Å; A69-P71 WeakPolarHBondContact O-CD 3.35Å
70	I	96.8	Very high	97.7	Very high	9 Å²	9	51.1 Å²	51.1	5%	0.046	25%	0.25	C	S	.	.	P	Polyproline II helix	trans	-92.4	119.9	-175.1	-49.8	-58.9	0	0	0	109.7	L57 I67 P68 I74 L77 P91 F92 A95 L98	L57-I70 HydrophobicContact CD2-CD1 3.81Å; L57-I70 HydrophobicContact CD2-CG2 4.45Å; I67-I70 HydrophobicContact CG2-CD1 4.1Å; I67-I70 HydrophobicContact CG2-CG1 4.42Å; P68-I70 HydrophobicContact CG-CD1 4.34Å; P68-I70 WeakPolarHBondContact O-CD1 3.1Å; P68-I70 WeakPolarHBondContact O-CG1 2.87Å; P68-I70 PolarHBondContact O-N 2.66Å; I70-I74 HydrophobicContact CG2-CB 3.96Å; I70-I74 HydrophobicContact CG2-CG1 4.27Å; I70-I74 HydrophobicContact CG2-CG2 4.22Å; I70-L77 HydrophobicContact CD1-CD1 3.75Å; I70-L77 HydrophobicContact CD1-CD2 3.69Å; I70-L77 HydrophobicContact CD1-CG 4.38Å; I70-L77 HydrophobicContact CG1-CD2 4.11Å; I70-P91 WeakPolarHBondContact CB-O 3.22Å; I70-P91 HydrophobicContact CG1-CB 4.36Å; I70-P91 WeakPolarHBondContact CG1-O 3.33Å; I70-P91 PolarHBondContact N-O 3.02Å; I70-F92 HydrophobicContact CG1-CD1 4.35Å; I70-F92 HydrophobicContact CG1-CE1 4.42Å; I70-A95 HydrophobicContact CB-CB 3.83Å; I70-A95 HydrophobicContact CG2-CB 3.62Å; I70-L98 HydrophobicContact CG2-CD1 4.35Å
71	P	95.4	Very high	97.7	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.058	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-60.3	144.1	175.4	-15.8	25.2	0	0	0	111.9	F42 A69 R73 I74	F42-P71 HydrophobicContact CD1-CB 4.33Å; F42-P71 HydrophobicContact CD1-CG 3.89Å; F42-P71 HydrophobicContact CE1-CG 4.41Å; F42-P71 WeakPolarHBondContact O-CG 3.3Å; A69-P71 WeakPolarHBondContact O-CD 3.35Å; P71-R73 HydrophobicContact CB-CG 4.43Å; P71-R73 PolarHBondContact O-N 3.37Å; P71-R73 VanDerWaalsContact O-N 3.14Å; P71-I74 HydrophobicContact CB-CG1 3.98Å; P71-I74 HydrophobicContact CG-CG1 3.99Å; P71-I74 WeakPolarHBondContact O-CB 3.4Å; P71-I74 WeakPolarHBondContact O-CG1 3.31Å; P71-I74 PolarHBondContact O-N 2.83Å; P71-I74 VanDerWaalsContact O-N 3.08Å
72	S	94.8	Very high	97.7	Very high	74 Å²	74	48 Å²	48	52%	0.517	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.5	-174.9	56.4	0	0	0	0	114.4	I74 N94	S72-I74 VanDerWaalsContact C-N 3.28Å; S72-I74 PolarHBondContact O-N 3.46Å; S72-N94 WeakPolarHBondContact CA-O 3.08Å; S72-N94 WeakPolarHBondContact CB-O 3.43Å
73	R	95.1	Very high	97.7	Very high	51 Å²	51	46.9 Å²	46.9	19%	0.192	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-11.7	178.5	74.4	178.6	-173.2	-79.6	-5.3	114.3	F41 F42 C49 P54 P71	F41-R73 VanDerWaalsContact CE1-NE 3.34Å; F42-R73 PolarHBondContact O-NH1 2.8Å; F42-R73 PolarHBondContact O-NH2 3.45Å; F42-R73 VanDerWaalsContact O-NH2 3.08Å; C49-R73 PolarHBondContact SG-NH2 2.94Å; P54-R73 WeakPolarHBondContact O-CD 3.49Å; P54-R73 PolarHBondContact O-NE 2.89Å; P71-R73 HydrophobicContact CB-CG 4.43Å; P71-R73 PolarHBondContact O-N 3.37Å; P71-R73 VanDerWaalsContact O-N 3.14Å
74	I	97.6	Very high	97.7	Very high	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.217	C	C	.	.			trans	-76.8	131.2	-171.7	-59.6	-54.7	0	0	0	111.3	T55 L57 I70 P71 S72 Y76 Q97 L98	T55-I74 CarbonylContact O-C 3.53Å; T55-I74 WeakPolarHBondContact O-CA 3.18Å; L57-I74 HydrophobicContact CB-CD1 3.88Å; L57-I74 HydrophobicContact CB-CG1 3.99Å; L57-I74 HydrophobicContact CB-CG2 3.85Å; I70-I74 HydrophobicContact CG2-CB 3.96Å; I70-I74 HydrophobicContact CG2-CG1 4.27Å; I70-I74 HydrophobicContact CG2-CG2 4.22Å; P71-I74 HydrophobicContact CB-CG1 3.98Å; P71-I74 HydrophobicContact CG-CG1 3.99Å; P71-I74 WeakPolarHBondContact O-CB 3.4Å; P71-I74 WeakPolarHBondContact O-CG1 3.31Å; P71-I74 PolarHBondContact O-N 2.83Å; P71-I74 VanDerWaalsContact O-N 3.08Å; S72-I74 VanDerWaalsContact C-N 3.28Å; S72-I74 PolarHBondContact O-N 3.46Å; I74-Y76 WeakPolarHBondContact CG2-O 3.16Å; I74-Q97 CarbonylContact O-C 3.46Å; I74-L98 HydrophobicContact CB-CD2 4.5Å; I74-L98 HydrophobicContact CG2-CD2 3.88Å; I74-L98 PolarHBondContact O-N 2.94Å
75	W	98.4	Very high	97.7	Very high	84 Å²	84	49.3 Å²	49.3	32%	0.318	24%	0.235	S	C	.	.	S	Bend	trans	-111.1	-31.8	176.5	-65.5	22.7	0	0	0	111	T55 Q97 R99 W100	T55-W75 HydrophobicContact CG2-CG 4.33Å; T55-W75 PolarHBondContact O-N 3.17Å; W75-Q97 VanDerWaalsContact CD1-CB 3.44Å; W75-Q97 HydrophobicContact CG-CB 4.36Å; W75-R99 PolarHBondContact O-N 3.26Å; W75-W100 PolarHBondContact O-N 2.96Å
76	Y	98.8	Very high	97.7	Very high	65 Å²	65	43.6 Å²	43.6	26%	0.255	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	116.9	-176.5	-52.3	-88.4	0	0	0	110.1	F53 T55 A56 L57 I74 W100	F53-Y76 AromaticContact CE1-CD2 3.81Å; F53-Y76 HydrophobicContact CE1-CD2 3.81Å; F53-Y76 HydrophobicContact CE1-CE2 4.21Å; F53-Y76 HydrophobicContact CE1-CG 4.35Å; F53-Y76 HydrophobicContact CE2-CE2 4.4Å; F53-Y76 AromaticContact CZ-CD2 3.61Å; F53-Y76 HydrophobicContact CZ-CD2 3.61Å; F53-Y76 AromaticContact CZ-CE2 3.53Å; F53-Y76 HydrophobicContact CZ-CE2 3.53Å; F53-Y76 HydrophobicContact CZ-CG 4.45Å; T55-Y76 PolarHBondContact O-N 2.03Å; T55-Y76 VanDerWaalsContact O-N 3.16Å; A56-Y76 WeakPolarHBondContact CA-O 3.3Å; L57-Y76 PolarHBondContact N-O 3.21Å; I74-Y76 WeakPolarHBondContact CG2-O 3.16Å; Y76-W100 HydrophobicContact CD1-CB 3.62Å; Y76-W100 HydrophobicContact CD1-CG 4.1Å; Y76-W100 HydrophobicContact CE1-CB 4.28Å; Y76-W100 HydrophobicContact CG-CB 4.45Å
77	L	98.8	Very high	97.8	Very high	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	120.3	-177.5	177.7	57.1	0	0	0	110.2	L57 I70 L79 F92 L98 W100 I101 N102	L57-L77 HydrophobicContact CB-CD1 4.12Å; L57-L77 HydrophobicContact CD2-CD1 3.81Å; L57-L77 HydrophobicContact CG-CD1 4.04Å; I70-L77 HydrophobicContact CD1-CD1 3.75Å; I70-L77 HydrophobicContact CD1-CD2 3.69Å; I70-L77 HydrophobicContact CD1-CG 4.38Å; I70-L77 HydrophobicContact CG1-CD2 4.11Å; L77-L79 HydrophobicContact CD1-CD1 3.87Å; L77-L79 HydrophobicContact CD1-CG 3.92Å; L77-L79 HydrophobicContact CD2-CD1 3.61Å; L77-L79 HydrophobicContact CG-CD1 3.64Å; L77-L79 HydrophobicContact CG-CG 4.01Å; L77-F92 HydrophobicContact CD2-CE1 3.96Å; L77-L98 HydrophobicContact CB-CD2 3.89Å; L77-W100 PolarHBondContact N-O 3.21Å; L77-I101 HydrophobicContact CB-CG1 4.32Å; L77-I101 HydrophobicContact CD2-CG1 4.36Å; L77-I101 HydrophobicContact CD2-CG2 4.41Å; L77-N102 PolarHBondContact O-N 3.38Å
78	Y	98.9	Very high	97.7	Very high	47 Å²	47	37.7 Å²	37.7	18%	0.184	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	111.1	179.3	-58.5	-88.5	0	0	0	109.3	A56 L57 Y58 C59 E60 E80 N102	A56-Y78 HydrophobicContact CB-CE2 4.35Å; L57-Y78 PolarHBondContact O-N 3.31Å; Y58-Y78 AromaticContact CD1-CD2 3.64Å; Y58-Y78 HydrophobicContact CD1-CD2 3.64Å; Y58-Y78 HydrophobicContact CD1-CE2 4.22Å; Y58-Y78 AromaticContact CD1-CG 3.98Å; Y58-Y78 HydrophobicContact CD1-CG 3.98Å; Y58-Y78 AromaticContact CE1-CD2 3.53Å; Y58-Y78 HydrophobicContact CE1-CD2 3.53Å; Y58-Y78 AromaticContact CE1-CE2 3.61Å; Y58-Y78 HydrophobicContact CE1-CE2 3.61Å; Y58-Y78 HydrophobicContact CE1-CG 4.06Å; Y58-Y78 HydrophobicContact CG-CD2 4.22Å; Y58-Y78 AromaticContact CZ-CE2 3.79Å; C59-Y78 CarbonylContact C-O 3.59Å; C59-Y78 VanDerWaalsContact CA-O 3.3Å; C59-Y78 WeakPolarHBondContact CA-O 3.24Å; C59-Y78 VanDerWaalsContact CB-O 3.27Å; C59-Y78 WeakPolarHBondContact CB-O 3.49Å; C59-Y78 PolarHBondContact N-O 3.37Å; E60-Y78 PolarHBondContact N-O 2.82Å; E60-Y78 WeakPolarHBondContact OE2-CB 3.27Å; Y78-E80 WeakPolarHBondContact CA-OE2 3.38Å; Y78-E80 WeakPolarHBondContact CB-OE2 3.41Å; Y78-N102 HydrophobicContact CD1-CB 4.44Å
79	L	98.8	Very high	97.6	Very high	0 Å²	0	41 Å²	41	0%	0	21%	0.211	C	C	.	.			trans	-129	13.6	-177.4	-76.3	162.9	0	0	0	111.6	C59 L64 I67 L77 N82 I84 N102 L103 N106	C59-L79 HydrophobicContact CB-CD2 3.43Å; C59-L79 VanDerWaalsContact CB-CD2 3.43Å; C59-L79 HydrophobicContact CB-CG 4.22Å; L64-L79 HydrophobicContact CD1-CD2 4.08Å; I67-L79 HydrophobicContact CD1-CD1 4.47Å; I67-L79 HydrophobicContact CG1-CD1 4.29Å; I67-L79 HydrophobicContact CG2-CD1 3.98Å; L77-L79 HydrophobicContact CD1-CD1 3.87Å; L77-L79 HydrophobicContact CD1-CG 3.92Å; L77-L79 HydrophobicContact CD2-CD1 3.61Å; L77-L79 HydrophobicContact CG-CD1 3.64Å; L77-L79 HydrophobicContact CG-CG 4.01Å; L79-N82 PolarHBondContact O-ND2 3.22Å; L79-I84 HydrophobicContact CB-CD1 4.05Å; L79-I84 HydrophobicContact CD2-CD1 3.91Å; L79-I84 HydrophobicContact CG-CD1 4.42Å; L79-N102 CarbonylContact C-O 3.5Å; L79-N102 WeakPolarHBondContact CA-O 3.47Å; L79-N102 WeakPolarHBondContact CB-O 3.44Å; L79-N102 PolarHBondContact N-O 3.42Å; L79-L103 HydrophobicContact CB-CD2 3.67Å; L79-L103 HydrophobicContact CB-CG 4.47Å; L79-L103 HydrophobicContact CD1-CD2 3.76Å; L79-L103 HydrophobicContact CG-CD2 4.36Å; L79-N106 PolarHBondContact O-ND2 2.97Å
80	E	98.8	Very high	97.6	Very high	38 Å²	38	46.5 Å²	46.5	18%	0.178	22%	0.224	C	C	.	.			trans	-67.6	158.4	-176.7	66.9	-86.8	-154.8	0	0	113.7	E60 N61 Y78 N82 N102 N104	E60-E80 CarbonylContact C-O 3.45Å; E60-E80 WeakPolarHBondContact CA-O 3.36Å; E60-E80 HydrophobicContact CB-CG 3.84Å; E60-E80 WeakPolarHBondContact CB-O 3.17Å; N61-E80 PolarHBondContact N-O 3.39Å; Y78-E80 WeakPolarHBondContact CA-OE2 3.38Å; Y78-E80 WeakPolarHBondContact CB-OE2 3.41Å; E80-N82 PolarHBondContact O-ND2 3.06Å; E80-N102 PolarHBondContact N-O 3.43Å; E80-N102 PolarHBondContact OE1-ND2 3.37Å; E80-N102 PolarHBondContact OE2-ND2 2.89Å; E80-N102 VanDerWaalsContact OE2-ND2 3.08Å; E80-N104 CarbonylContact C-O 3.38Å; E80-N104 WeakPolarHBondContact CA-O 3.29Å; E80-N104 HydrophobicContact CB-CB 4.12Å; E80-N104 WeakPolarHBondContact CB-O 3.27Å
81	N	98.8	Very high	97.6	Very high	63 Å²	63	47 Å²	47	34%	0.337	23%	0.227	S	C	.	.	S	Bend	trans	55.5	50.8	-179.7	-68	-29.7	0	0	0	112.9	N61 N104 K105	N61-N81 VanDerWaalsContact CA-O 3.31Å; N61-N81 WeakPolarHBondContact CA-O 3.19Å; N61-N81 PolarHBondContact N-O 3.28Å; N61-N81 WeakPolarHBondContact OD1-CB 3.48Å; N61-N81 PolarHBondContact OD1-ND2 2.85Å; N81-N104 PolarHBondContact N-O 3Å; N81-K105 WeakPolarHBondContact CA-O 3.2Å; N81-K105 PolarHBondContact N-O 3.42Å; N81-K105 VanDerWaalsContact OD1-CB 3.22Å; N81-K105 WeakPolarHBondContact OD1-CB 3.41Å; N81-K105 WeakPolarHBondContact OD1-CD 3.36Å
82	N	98.8	Very high	97.6	Very high	12 Å²	12	46.6 Å²	46.6	6%	0.064	23%	0.225	C	C	.	.	S	Bend	trans	-122.8	-165.5	174.6	-79.6	-55.9	0	0	0	110	C59 R62 G63 L64 L79 E80 I84 K105 N106	C59-N82 PolarHBondContact O-ND2 3Å; R62-N82 PolarHBondContact N-OD1 3.03Å; G63-N82 PolarHBondContact N-OD1 2.9Å; L64-N82 HydrophobicContact CB-CB 4.13Å; L64-N82 PolarHBondContact N-OD1 3.08Å; L79-N82 PolarHBondContact O-ND2 3.22Å; E80-N82 PolarHBondContact O-ND2 3.06Å; N82-I84 HydrophobicContact CB-CD1 4.05Å; N82-I84 HydrophobicContact CB-CG1 4.06Å; N82-K105 PolarHBondContact N-O 3.29Å; N82-N106 VanDerWaalsContact CA-OD1 3.3Å; N82-N106 WeakPolarHBondContact CA-OD1 3.44Å; N82-N106 WeakPolarHBondContact CB-OD1 3.45Å; N82-N106 PolarHBondContact N-OD1 2.72Å; N82-N106 PolarHBondContact O-OD1 3.45Å
83	Q	98.6	Very high	97.5	Very high	75 Å²	75	48.9 Å²	48.9	35%	0.35	23%	0.227	S	C	.	.			trans	-120.2	31.3	179.6	-61.7	166.2	35.8	0	0	110.1	L64 R65 N106	L64-Q83 CarbonylContact O-C 3.46Å; L64-Q83 VanDerWaalsContact O-CA 3.27Å; L64-Q83 WeakPolarHBondContact O-CA 3.4Å; L64-Q83 PolarHBondContact O-N 3.41Å; R65-Q83 HydrophobicContact CG-CB 4.19Å; Q83-N106 PolarHBondContact N-OD1 2.97Å
84	I	98.8	Very high	97.3	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	25%	0.247	C	C	.	.			trans	-72.7	129	-175.6	-62.1	163.3	0	0	0	109.1	L64 R65 I67 L79 N82 T86 L103 N106 K107 I108	L64-I84 HydrophobicContact CB-CG1 4.37Å; L64-I84 PolarHBondContact O-N 2.77Å; R65-I84 WeakPolarHBondContact O-CA 3.36Å; I67-I84 HydrophobicContact CD1-CG2 4.37Å; I67-I84 HydrophobicContact CG1-CD1 4.22Å; I67-I84 HydrophobicContact CG1-CG2 3.87Å; L79-I84 HydrophobicContact CB-CD1 4.05Å; L79-I84 HydrophobicContact CD2-CD1 3.91Å; L79-I84 HydrophobicContact CG-CD1 4.42Å; N82-I84 HydrophobicContact CB-CD1 4.05Å; N82-I84 HydrophobicContact CB-CG1 4.06Å; I84-T86 VanDerWaalsContact CG2-O 3.24Å; I84-T86 WeakPolarHBondContact CG2-O 3.39Å; I84-L103 HydrophobicContact CD1-CD2 4.21Å; I84-N106 HydrophobicContact CB-CB 4.29Å; I84-N106 VanDerWaalsContact CB-OD1 3.31Å; I84-N106 WeakPolarHBondContact CB-OD1 3.44Å; I84-N106 PolarHBondContact N-OD1 3.01Å; I84-K107 CarbonylContact O-C 3.25Å; I84-K107 VanDerWaalsContact O-C 3.28Å; I84-K107 WeakPolarHBondContact O-CA 3.42Å; I84-K107 PolarHBondContact O-N 2.92Å; I84-I108 HydrophobicContact CG2-CG1 4.29Å; I84-I108 PolarHBondContact O-N 2.91Å
85	E	98.1	Very high	97.1	Very high	108 Å²	108	51.9 Å²	51.9	51%	0.505	25%	0.247	S	C	.	.			trans	-107.4	-22.7	179.8	-69.2	175.8	-160	0	0	112.4	K107	E85-K107 HydrophobicContact CG-CB 3.81Å
86	T	98.1	Very high	96.9	Very high	58 Å²	58	51.9 Å²	51.9	36%	0.356	26%	0.256	S	S	.	.			trans	-127.8	147.4	-171.7	63.8	0	0	0	0	112.9	I84 P88 G112	I84-T86 VanDerWaalsContact CG2-O 3.24Å; I84-T86 WeakPolarHBondContact CG2-O 3.39Å; T86-P88 VanDerWaalsContact C-CD 3.48Å; T86-P88 WeakPolarHBondContact O-CD 3.47Å; T86-G112 CarbonylContact C-O 3.21Å; T86-G112 WeakPolarHBondContact CA-O 3.44Å; T86-G112 WeakPolarHBondContact CB-O 3.43Å
87	I	98.3	Very high	96.8	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-117.5	83.5	169.4	-52.4	-177.6	0	0	0	107	I67 F92 L103 I108 G112 I113 E114 A117 L118 L129	I67-I87 HydrophobicContact CD1-CB 4.41Å; I67-I87 HydrophobicContact CD1-CG1 4.29Å; I67-I87 HydrophobicContact CD1-CG2 4.25Å; I87-F92 HydrophobicContact CG2-CE2 3.57Å; I87-F92 HydrophobicContact CG2-CZ 4.1Å; I87-L103 HydrophobicContact CD1-CD1 3.78Å; I87-L103 HydrophobicContact CG1-CD1 4.34Å; I87-I108 HydrophobicContact CD1-CD1 4.04Å; I87-I108 HydrophobicContact CD1-CG2 4.06Å; I87-I108 HydrophobicContact CG1-CD1 4.07Å; I87-I108 HydrophobicContact CG1-CG1 4.37Å; I87-I108 HydrophobicContact CG1-CG2 4.09Å; I87-G112 PolarHBondContact N-O 2.91Å; I87-I113 HydrophobicContact CB-CG1 4.35Å; I87-I113 HydrophobicContact CB-CG2 4.41Å; I87-I113 HydrophobicContact CD1-CD1 4.17Å; I87-I113 HydrophobicContact CD1-CG1 3.96Å; I87-I113 HydrophobicContact CG1-CG1 4.21Å; I87-E114 PolarHBondContact O-N 3.08Å; I87-A117 HydrophobicContact CG2-CB 4.25Å; I87-A117 WeakPolarHBondContact O-CB 3.5Å; I87-L118 HydrophobicContact CD1-CD2 4.41Å; I87-L118 HydrophobicContact CG2-CD2 4.16Å; I87-L129 HydrophobicContact CD1-CD2 4.16Å
88	P	97.1	Very high	96.8	Very high	34 Å²	34	51.4 Å²	51.4	22%	0.221	26%	0.256	C	S	.	.			trans	-74.9	159.5	176.9	29.3	-32.7	0	0	0	111.7	T86 P91 F92 E114	T86-P88 VanDerWaalsContact C-CD 3.48Å; T86-P88 WeakPolarHBondContact O-CD 3.47Å; P88-P91 HydrophobicContact CG-CG 3.79Å; P88-F92 WeakPolarHBondContact O-CD2 3.23Å; P88-F92 WeakPolarHBondContact O-CE2 3.38Å; P88-E114 WeakPolarHBondContact CA-OE2 3.33Å
89	E	95.8	Very high	96.8	Very high	77 Å²	77	52.9 Å²	52.9	36%	0.36	26%	0.261	S	S	.	.	S	Bend	trans	-70.8	-40.5	179	-178.9	174.8	169.5	0	0	112.1	F92 Q93 E114 A117 Q120	E89-F92 PolarHBondContact O-N 2.69Å; E89-F92 VanDerWaalsContact O-N 3.1Å; E89-Q93 PolarHBondContact O-N 3.33Å; E89-E114 HydrophobicContact CB-CG 4.43Å; E89-E114 PolarHBondContact N-OE2 3.43Å; E89-A117 HydrophobicContact CB-CB 4.33Å; E89-Q120 PolarHBondContact O-NE2 3.14Å
90	K	95.7	Very high	96.8	Very high	173 Å²	173	56.1 Å²	56.1	75%	0.752	27%	0.274	S	S	*	.	G	3₁₀ helix	trans	-55.3	-46.3	-169	-177.8	-179.4	179.4	-177.1	0	114.8	F92 Q93	K90-F92 PolarHBondContact O-N 3Å; K90-Q93 WeakPolarHBondContact O-CB 3.11Å; K90-Q93 PolarHBondContact O-N 3.13Å
91	P	95.6	Very high	96.8	Very high	18 Å²	18	54.3 Å²	54.3	12%	0.117	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-61.9	-24.6	-179.8	-26.3	37.8	0	0	0	114.3	I67 P68 I70 P88	I67-P91 HydrophobicContact CB-CB 4.45Å; I67-P91 HydrophobicContact CB-CG 4.34Å; I67-P91 HydrophobicContact CG2-CB 3.92Å; I67-P91 HydrophobicContact CG2-CG 4.35Å; P68-P91 WeakPolarHBondContact O-CB 3.27Å; I70-P91 WeakPolarHBondContact CB-O 3.22Å; I70-P91 HydrophobicContact CG1-CB 4.36Å; I70-P91 WeakPolarHBondContact CG1-O 3.33Å; I70-P91 PolarHBondContact N-O 3.02Å; P88-P91 HydrophobicContact CG-CG 3.79Å
92	F	96.1	Very high	96.8	Very high	2 Å²	2	52.2 Å²	52.2	1%	0.009	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-96.1	-7.2	-176.3	-58.1	-74.6	0	0	0	114	I67 I70 L77 I87 P88 E89 K90 N94 A95 L98 I101 L121	I67-F92 HydrophobicContact CD1-CE2 3.96Å; I67-F92 HydrophobicContact CD1-CZ 3.68Å; I67-F92 HydrophobicContact CG2-CE2 4.44Å; I67-F92 HydrophobicContact CG2-CZ 4Å; I70-F92 HydrophobicContact CG1-CD1 4.35Å; I70-F92 HydrophobicContact CG1-CE1 4.42Å; L77-F92 HydrophobicContact CD2-CE1 3.96Å; I87-F92 HydrophobicContact CG2-CE2 3.57Å; I87-F92 HydrophobicContact CG2-CZ 4.1Å; P88-F92 WeakPolarHBondContact O-CD2 3.23Å; P88-F92 WeakPolarHBondContact O-CE2 3.38Å; E89-F92 PolarHBondContact O-N 2.69Å; E89-F92 VanDerWaalsContact O-N 3.1Å; K90-F92 PolarHBondContact O-N 3Å; F92-N94 PolarHBondContact O-N 2.87Å; F92-N94 VanDerWaalsContact O-N 3.11Å; F92-A95 PolarHBondContact O-N 3.4Å; F92-L98 HydrophobicContact CD1-CD1 3.72Å; F92-L98 HydrophobicContact CE1-CD1 4.22Å; F92-I101 HydrophobicContact CE1-CD1 4.08Å; F92-L121 HydrophobicContact CB-CD2 3.98Å; F92-L121 HydrophobicContact CD1-CD1 4.42Å; F92-L121 HydrophobicContact CD1-CD2 4.42Å; F92-L121 HydrophobicContact CG-CD2 4.46Å
93	Q	92.3	Very high	96.8	Very high	122 Å²	122	51.7 Å²	51.7	57%	0.57	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	-40	-171.3	-171.1	176.4	17.5	0	0	113.2	E89 K90	E89-Q93 PolarHBondContact O-N 3.33Å; K90-Q93 WeakPolarHBondContact O-CB 3.11Å; K90-Q93 PolarHBondContact O-N 3.13Å
94	N	90.7	Very high	96.8	Very high	113 Å²	113	49.2 Å²	49.2	60%	0.604	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.1	-9.4	179.6	-66.9	-23.4	0	0	0	113.6	S72 F92 T96	S72-N94 WeakPolarHBondContact CA-O 3.08Å; S72-N94 WeakPolarHBondContact CB-O 3.43Å; F92-N94 PolarHBondContact O-N 2.87Å; F92-N94 VanDerWaalsContact O-N 3.11Å; N94-T96 PolarHBondContact O-N 2.85Å
95	A	94.4	Very high	96.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	26%	0.263	C	S	.	.			trans	-84.7	48.9	-173.7	0	0	0	0	0	112.5	I70 F92 Q97 L98	I70-A95 HydrophobicContact CB-CB 3.83Å; I70-A95 HydrophobicContact CG2-CB 3.62Å; F92-A95 PolarHBondContact O-N 3.4Å; A95-Q97 PolarHBondContact O-N 2.87Å; A95-Q97 VanDerWaalsContact O-N 3.12Å; A95-L98 HydrophobicContact CB-CD1 3.47Å; A95-L98 VanDerWaalsContact CB-CD1 3.47Å; A95-L98 HydrophobicContact CB-CG 3.91Å; A95-L98 WeakPolarHBondContact O-CG 3.18Å; A95-L98 PolarHBondContact O-N 3.4Å
96	T	93.8	Very high	96.8	Very high	84 Å²	84	49.8 Å²	49.8	52%	0.515	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-10.7	-172.4	61.6	0	0	0	0	114.5	N94	N94-T96 PolarHBondContact O-N 2.85Å
97	Q	96.7	Very high	96.9	Very high	54 Å²	54	51.3 Å²	51.3	25%	0.252	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	0.1	-179.9	-55.7	-62.1	-39.2	0	0	113.7	I74 W75 A95 R99 K123	I74-Q97 CarbonylContact O-C 3.46Å; W75-Q97 VanDerWaalsContact CD1-CB 3.44Å; W75-Q97 HydrophobicContact CG-CB 4.36Å; A95-Q97 PolarHBondContact O-N 2.87Å; A95-Q97 VanDerWaalsContact O-N 3.12Å; Q97-R99 PolarHBondContact O-N 3.06Å; Q97-K123 VanDerWaalsContact CD-NZ 3.33Å; Q97-K123 VanDerWaalsContact NE2-NZ 3.18Å
98	L	98.4	Very high	96.9	Very high	2 Å²	2	51.3 Å²	51.3	1%	0.01	24%	0.244	C	C	.	.			trans	-57.2	129.4	179.7	-78.4	169.6	0	0	0	111.7	I70 I74 L77 F92 A95 I101 L121 K123 L124	I70-L98 HydrophobicContact CG2-CD1 4.35Å; I74-L98 HydrophobicContact CB-CD2 4.5Å; I74-L98 HydrophobicContact CG2-CD2 3.88Å; I74-L98 PolarHBondContact O-N 2.94Å; L77-L98 HydrophobicContact CB-CD2 3.89Å; F92-L98 HydrophobicContact CD1-CD1 3.72Å; F92-L98 HydrophobicContact CE1-CD1 4.22Å; A95-L98 HydrophobicContact CB-CD1 3.47Å; A95-L98 VanDerWaalsContact CB-CD1 3.47Å; A95-L98 HydrophobicContact CB-CG 3.91Å; A95-L98 WeakPolarHBondContact O-CG 3.18Å; A95-L98 PolarHBondContact O-N 3.4Å; L98-I101 HydrophobicContact CD1-CD1 4.06Å; L98-I101 HydrophobicContact CD1-CG1 4.43Å; L98-I101 HydrophobicContact CD2-CG1 4.39Å; L98-L121 HydrophobicContact CD1-CD2 4.21Å; L98-K123 CarbonylContact O-C 3.52Å; L98-L124 WeakPolarHBondContact O-CA 3.36Å; L98-L124 PolarHBondContact O-N 2.87Å
99	R	98.8	Very high	97	Very high	77 Å²	77	51.9 Å²	51.9	29%	0.291	25%	0.246	S	C	.	.			trans	-119.4	-28.9	178.1	-67.6	176.1	-176.2	-91.4	4.6	112	W75 Q97 L125 F126	W75-R99 PolarHBondContact O-N 3.26Å; Q97-R99 PolarHBondContact O-N 3.06Å; R99-L125 PolarHBondContact O-N 3.35Å; R99-F126 PolarHBondContact O-N 3.01Å
100	W	98.8	Very high	97	Very high	68 Å²	68	50 Å²	50	26%	0.258	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	122.9	-174.9	-176.3	-70.2	0	0	0	110	W75 Y76 L77 F126 F128	W75-W100 PolarHBondContact O-N 2.96Å; Y76-W100 HydrophobicContact CD1-CB 3.62Å; Y76-W100 HydrophobicContact CD1-CG 4.1Å; Y76-W100 HydrophobicContact CE1-CB 4.28Å; Y76-W100 HydrophobicContact CG-CB 4.45Å; L77-W100 PolarHBondContact N-O 3.21Å; W100-F126 WeakPolarHBondContact CA-O 3.48Å; W100-F126 HydrophobicContact CD2-CB 3.96Å; W100-F126 HydrophobicContact CD2-CD2 4.47Å; W100-F126 HydrophobicContact CD2-CG 4.31Å; W100-F126 HydrophobicContact CE3-CB 3.54Å; W100-F126 HydrophobicContact CE3-CD1 4.07Å; W100-F126 AromaticContact CE3-CD2 3.46Å; W100-F126 HydrophobicContact CE3-CD2 3.46Å; W100-F126 VanDerWaalsContact CE3-CD2 3.46Å; W100-F126 HydrophobicContact CE3-CE2 4.21Å; W100-F126 AromaticContact CE3-CG 3.41Å; W100-F126 HydrophobicContact CE3-CG 3.41Å; W100-F126 VanDerWaalsContact CE3-CG 3.41Å; W100-F126 HydrophobicContact CG-CB 4.41Å; W100-F126 HydrophobicContact CZ3-CB 4Å; W100-F126 AromaticContact CZ3-CD1 3.77Å; W100-F126 HydrophobicContact CZ3-CD1 3.77Å; W100-F126 AromaticContact CZ3-CD2 3.95Å; W100-F126 HydrophobicContact CZ3-CD2 3.95Å; W100-F126 HydrophobicContact CZ3-CE1 4.26Å; W100-F126 HydrophobicContact CZ3-CE2 4.43Å; W100-F126 AromaticContact CZ3-CG 3.63Å; W100-F126 HydrophobicContact CZ3-CG 3.63Å; W100-F128 AromaticContact CD2-CE2 3.62Å; W100-F128 HydrophobicContact CD2-CE2 3.62Å; W100-F128 HydrophobicContact CD2-CZ 4.28Å; W100-F128 AromaticContact CE2-CD2 3.99Å; W100-F128 AromaticContact CE2-CE2 3.16Å; W100-F128 AromaticContact CE2-CZ 3.76Å; W100-F128 HydrophobicContact CE3-CE2 4.04Å; W100-F128 HydrophobicContact CE3-CZ 4.31Å; W100-F128 HydrophobicContact CG-CE2 4.26Å; W100-F128 HydrophobicContact CH2-CE1 4.37Å; W100-F128 AromaticContact CH2-CE2 3.66Å; W100-F128 HydrophobicContact CH2-CE2 3.66Å; W100-F128 AromaticContact CH2-CZ 3.31Å; W100-F128 HydrophobicContact CH2-CZ 3.31Å; W100-F128 HydrophobicContact CZ2-CD2 4.16Å; W100-F128 HydrophobicContact CZ2-CE1 4.28Å; W100-F128 AromaticContact CZ2-CE2 3.19Å; W100-F128 HydrophobicContact CZ2-CE2 3.19Å; W100-F128 AromaticContact CZ2-CZ 3.26Å; W100-F128 HydrophobicContact CZ2-CZ 3.26Å; W100-F128 HydrophobicContact CZ3-CE2 4.05Å; W100-F128 AromaticContact CZ3-CZ 3.85Å; W100-F128 HydrophobicContact CZ3-CZ 3.85Å; W100-F128 AromaticContact NE1-CD2 3.93Å; W100-F128 AromaticContact NE1-CE2 3.55Å
101	I	98.9	Very high	97.1	Very high	0 Å²	0	52.1 Å²	52.1	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	117.4	174.1	-63.1	172.8	0	0	0	108.6	L77 F92 L98 L103 L121 L124 F126 L127 F128	L77-I101 HydrophobicContact CB-CG1 4.32Å; L77-I101 HydrophobicContact CD2-CG1 4.36Å; L77-I101 HydrophobicContact CD2-CG2 4.41Å; F92-I101 HydrophobicContact CE1-CD1 4.08Å; L98-I101 HydrophobicContact CD1-CD1 4.06Å; L98-I101 HydrophobicContact CD1-CG1 4.43Å; L98-I101 HydrophobicContact CD2-CG1 4.39Å; I101-L103 HydrophobicContact CG2-CD1 3.67Å; I101-L103 HydrophobicContact CG2-CG 3.77Å; I101-L121 HydrophobicContact CD1-CD1 3.59Å; I101-L124 HydrophobicContact CB-CD1 4.22Å; I101-L124 HydrophobicContact CD1-CD1 3.64Å; I101-L124 HydrophobicContact CD1-CD2 4.12Å; I101-L124 HydrophobicContact CG1-CD1 3.63Å; I101-F126 PolarHBondContact N-O 2.96Å; I101-L127 HydrophobicContact CB-CD1 4.17Å; I101-L127 HydrophobicContact CG2-CD1 4.24Å; I101-F128 WeakPolarHBondContact O-CD2 3.4Å; I101-F128 PolarHBondContact O-N 3.01Å
102	N	98.9	Very high	97.2	Very high	20 Å²	20	51.8 Å²	51.8	11%	0.107	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	110.3	172.5	-170.4	1.1	0	0	0	110.6	L77 Y78 L79 E80 N104 F128	L77-N102 PolarHBondContact O-N 3.38Å; Y78-N102 HydrophobicContact CD1-CB 4.44Å; L79-N102 CarbonylContact C-O 3.5Å; L79-N102 WeakPolarHBondContact CA-O 3.47Å; L79-N102 WeakPolarHBondContact CB-O 3.44Å; L79-N102 PolarHBondContact N-O 3.42Å; E80-N102 PolarHBondContact N-O 3.43Å; E80-N102 PolarHBondContact OE1-ND2 3.37Å; E80-N102 PolarHBondContact OE2-ND2 2.89Å; E80-N102 VanDerWaalsContact OE2-ND2 3.08Å; N102-N104 VanDerWaalsContact OD1-CB 3.27Å; N102-N104 WeakPolarHBondContact OD1-CB 3.25Å; N102-N104 VanDerWaalsContact OD1-CG 3.23Å; N102-N104 PolarHBondContact OD1-N 3.28Å; N102-N104 VanDerWaalsContact OD1-N 3.13Å; N102-F128 HydrophobicContact CB-CD2 4.3Å
103	L	98.9	Very high	97.3	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	25%	0.251	C	S	.	.			trans	-117.5	19.2	176.9	-76.9	163	0	0	0	111.5	I67 L79 I84 I87 I101 N106 I108 F128 L129 N132	I67-L103 HydrophobicContact CD1-CD2 4.19Å; L79-L103 HydrophobicContact CB-CD2 3.67Å; L79-L103 HydrophobicContact CB-CG 4.47Å; L79-L103 HydrophobicContact CD1-CD2 3.76Å; L79-L103 HydrophobicContact CG-CD2 4.36Å; I84-L103 HydrophobicContact CD1-CD2 4.21Å; I87-L103 HydrophobicContact CD1-CD1 3.78Å; I87-L103 HydrophobicContact CG1-CD1 4.34Å; I101-L103 HydrophobicContact CG2-CD1 3.67Å; I101-L103 HydrophobicContact CG2-CG 3.77Å; L103-N106 PolarHBondContact O-ND2 3.4Å; L103-I108 HydrophobicContact CB-CD1 3.93Å; L103-I108 HydrophobicContact CD1-CD1 4.17Å; L103-I108 HydrophobicContact CD2-CD1 4.09Å; L103-I108 HydrophobicContact CG-CD1 4.29Å; L103-F128 WeakPolarHBondContact CA-O 3.34Å; L103-F128 WeakPolarHBondContact CB-O 3.34Å; L103-F128 PolarHBondContact N-O 2.96Å; L103-L129 HydrophobicContact CB-CD2 3.81Å; L103-L129 HydrophobicContact CD1-CD2 4.02Å; L103-N132 PolarHBondContact O-ND2 2.85Å
104	N	98.9	Very high	97.5	Very high	22 Å²	22	51.8 Å²	51.8	12%	0.118	25%	0.245	C	C	.	.			trans	-57	148.8	-179.3	-74.9	-4.3	0	0	0	112.2	E80 N81 N102 N106 F128 L129 E130	E80-N104 CarbonylContact C-O 3.38Å; E80-N104 WeakPolarHBondContact CA-O 3.29Å; E80-N104 HydrophobicContact CB-CB 4.12Å; E80-N104 WeakPolarHBondContact CB-O 3.27Å; N81-N104 PolarHBondContact N-O 3Å; N102-N104 VanDerWaalsContact OD1-CB 3.27Å; N102-N104 WeakPolarHBondContact OD1-CB 3.25Å; N102-N104 VanDerWaalsContact OD1-CG 3.23Å; N102-N104 PolarHBondContact OD1-N 3.28Å; N102-N104 VanDerWaalsContact OD1-N 3.13Å; N104-N106 PolarHBondContact O-ND2 3.41Å; N104-F128 WeakPolarHBondContact OD1-CB 3.47Å; N104-L129 PolarHBondContact OD1-N 3.17Å; N104-E130 CarbonylContact C-O 3.15Å; N104-E130 VanDerWaalsContact CA-O 3.23Å; N104-E130 WeakPolarHBondContact CA-O 3.36Å; N104-E130 PolarHBondContact ND2-OE1 2.95Å; N104-E130 WeakPolarHBondContact OD1-CB 3.3Å; N104-E130 PolarHBondContact OD1-N 3.1Å
105	K	98.8	Very high	97.6	Very high	111 Å²	111	55.4 Å²	55.4	48%	0.483	26%	0.255	S	S	.	.	S	Bend	trans	56.5	56.6	173.7	-62.3	174.1	177.3	179.6	0	112	N81 N82 E130 D131	N81-K105 WeakPolarHBondContact CA-O 3.2Å; N81-K105 PolarHBondContact N-O 3.42Å; N81-K105 VanDerWaalsContact OD1-CB 3.22Å; N81-K105 WeakPolarHBondContact OD1-CB 3.41Å; N81-K105 WeakPolarHBondContact OD1-CD 3.36Å; N82-K105 PolarHBondContact N-O 3.29Å; K105-E130 PolarHBondContact N-O 3.12Å; K105-D131 WeakPolarHBondContact CA-O 3.49Å; K105-D131 HydrophobicContact CB-CB 4.22Å; K105-D131 WeakPolarHBondContact CE-OD2 3.14Å; K105-D131 HydrophobicContact CG-CB 3.47Å; K105-D131 VanDerWaalsContact CG-CB 3.47Å; K105-D131 WeakPolarHBondContact CG-OD2 3.49Å; K105-D131 PolarHBondContact N-O 2.86Å
106	N	98.9	Very high	97.3	Very high	10 Å²	10	56.2 Å²	56.2	5%	0.053	26%	0.264	C	S	.	.	S	Bend	trans	-125.7	-165.3	172.9	-85.2	-71.2	0	0	0	108.9	L79 N82 Q83 I84 L103 N104 I108 D131 N132	L79-N106 PolarHBondContact O-ND2 2.97Å; N82-N106 VanDerWaalsContact CA-OD1 3.3Å; N82-N106 WeakPolarHBondContact CA-OD1 3.44Å; N82-N106 WeakPolarHBondContact CB-OD1 3.45Å; N82-N106 PolarHBondContact N-OD1 2.72Å; N82-N106 PolarHBondContact O-OD1 3.45Å; Q83-N106 PolarHBondContact N-OD1 2.97Å; I84-N106 HydrophobicContact CB-CB 4.29Å; I84-N106 VanDerWaalsContact CB-OD1 3.31Å; I84-N106 WeakPolarHBondContact CB-OD1 3.44Å; I84-N106 PolarHBondContact N-OD1 3.01Å; L103-N106 PolarHBondContact O-ND2 3.4Å; N104-N106 PolarHBondContact O-ND2 3.41Å; N106-I108 HydrophobicContact CB-CD1 4.13Å; N106-I108 HydrophobicContact CB-CG1 4.22Å; N106-D131 PolarHBondContact N-O 3.11Å; N106-N132 WeakPolarHBondContact CA-OD1 3.21Å; N106-N132 WeakPolarHBondContact CB-OD1 3.45Å; N106-N132 PolarHBondContact O-OD1 3.14Å
107	K	98.7	Very high	97.4	Very high	90 Å²	90	52.2 Å²	52.2	39%	0.391	24%	0.239	S	C	.	.			trans	-120.3	30.5	-179.5	-62.1	-175.9	-179.8	-179.6	0	111.8	I84 E85 T109 N132	I84-K107 CarbonylContact O-C 3.25Å; I84-K107 VanDerWaalsContact O-C 3.28Å; I84-K107 WeakPolarHBondContact O-CA 3.42Å; I84-K107 PolarHBondContact O-N 2.92Å; E85-K107 HydrophobicContact CG-CB 3.81Å; K107-T109 PolarHBondContact O-N 3.39Å; K107-N132 PolarHBondContact N-OD1 3.29Å
108	I	98.8	Very high	97.4	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.228	C	C	.	.			trans	-70	130.9	-174	-62.2	158.1	0	0	0	109.5	I84 I87 L103 N106 I113 L129 N132 E133 L134	I84-I108 HydrophobicContact CG2-CG1 4.29Å; I84-I108 PolarHBondContact O-N 2.91Å; I87-I108 HydrophobicContact CD1-CD1 4.04Å; I87-I108 HydrophobicContact CD1-CG2 4.06Å; I87-I108 HydrophobicContact CG1-CD1 4.07Å; I87-I108 HydrophobicContact CG1-CG1 4.37Å; I87-I108 HydrophobicContact CG1-CG2 4.09Å; L103-I108 HydrophobicContact CB-CD1 3.93Å; L103-I108 HydrophobicContact CD1-CD1 4.17Å; L103-I108 HydrophobicContact CD2-CD1 4.09Å; L103-I108 HydrophobicContact CG-CD1 4.29Å; N106-I108 HydrophobicContact CB-CD1 4.13Å; N106-I108 HydrophobicContact CB-CG1 4.22Å; I108-I113 HydrophobicContact CG2-CD1 4.12Å; I108-I113 HydrophobicContact CG2-CG1 3.85Å; I108-L129 HydrophobicContact CD1-CD2 3.93Å; I108-N132 HydrophobicContact CB-CB 4.42Å; I108-N132 VanDerWaalsContact CB-OD1 3.3Å; I108-N132 WeakPolarHBondContact CB-OD1 3.3Å; I108-N132 WeakPolarHBondContact CG1-OD1 3.25Å; I108-N132 PolarHBondContact N-OD1 3.4Å; I108-E133 CarbonylContact O-C 3.16Å; I108-E133 VanDerWaalsContact O-C 3.25Å; I108-E133 WeakPolarHBondContact O-CA 3.39Å; I108-E133 PolarHBondContact O-N 2.87Å; I108-L134 HydrophobicContact CG2-CD2 4.09Å; I108-L134 PolarHBondContact O-N 3.08Å
109	T	98.4	Very high	97.2	Very high	45 Å²	45	51.7 Å²	51.7	28%	0.276	24%	0.241	S	C	.	.			trans	-112.6	163.6	172.8	66	0	0	0	0	110.2	K107 Y111 G112 E133	K107-T109 PolarHBondContact O-N 3.39Å; T109-Y111 PolarHBondContact O-N 2.98Å; T109-G112 PolarHBondContact O-N 2.78Å; T109-G112 PolarHBondContact OG1-N 3.4Å; T109-E133 HydrophobicContact CG2-CB 3.91Å
110	N	97.8	Very high	97	Very high	39 Å²	39	50.7 Å²	50.7	21%	0.209	24%	0.24	C	C	.	.	G	3₁₀ helix	trans	-58.4	-34.7	175.6	-69	85.8	0	0	0	113.1	G112 I113 L134 E135 E136	N110-G112 VanDerWaalsContact C-N 3.3Å; N110-I113 PolarHBondContact O-N 2.78Å; N110-L134 WeakPolarHBondContact OD1-CA 3.41Å; N110-E135 PolarHBondContact OD1-N 3.09Å; N110-E136 PolarHBondContact ND2-O 2.79Å; N110-E136 PolarHBondContact OD1-N 3.49Å; N110-E136 PolarHBondContact OD1-O 2.95Å
111	Y	96.9	Very high	96.9	Very high	216 Å²	216	47.7 Å²	47.7	85%	0.847	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-70.3	-27.3	176.9	-63.2	-74.9	0	0	0	113	T109 I113	T109-Y111 PolarHBondContact O-N 2.98Å; Y111-I113 VanDerWaalsContact C-N 3.27Å; Y111-I113 PolarHBondContact O-N 3.48Å
112	G	97.3	Very high	96.8	Very high	12 Å²	12	56.1 Å²	56.1	12%	0.124	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-74.8	-14.5	176.4	0	0	0	0	0	113.7	T86 I87 T109 N110 E114	T86-G112 CarbonylContact C-O 3.21Å; T86-G112 WeakPolarHBondContact CA-O 3.44Å; T86-G112 WeakPolarHBondContact CB-O 3.43Å; I87-G112 PolarHBondContact N-O 2.91Å; T109-G112 PolarHBondContact O-N 2.78Å; T109-G112 PolarHBondContact OG1-N 3.4Å; N110-G112 VanDerWaalsContact C-N 3.3Å; G112-E114 PolarHBondContact O-N 3.29Å
113	I	98	Very high	96.8	Very high	29 Å²	29	59 Å²	59	15%	0.149	28%	0.277	C	S	.	.	B	Isolated β-bridge	trans	-88.3	109.7	178.8	-54.7	180	0	0	0	109.1	I87 I108 N110 Y111 L118 L134 P138	I87-I113 HydrophobicContact CB-CG1 4.35Å; I87-I113 HydrophobicContact CB-CG2 4.41Å; I87-I113 HydrophobicContact CD1-CD1 4.17Å; I87-I113 HydrophobicContact CD1-CG1 3.96Å; I87-I113 HydrophobicContact CG1-CG1 4.21Å; I108-I113 HydrophobicContact CG2-CD1 4.12Å; I108-I113 HydrophobicContact CG2-CG1 3.85Å; N110-I113 PolarHBondContact O-N 2.78Å; Y111-I113 VanDerWaalsContact C-N 3.27Å; Y111-I113 PolarHBondContact O-N 3.48Å; I113-L118 HydrophobicContact CG2-CD1 4.07Å; I113-L118 HydrophobicContact CG2-CG 4.32Å; I113-L134 HydrophobicContact CD1-CD2 3.88Å; I113-P138 HydrophobicContact CD1-CB 3.82Å; I113-P138 HydrophobicContact CD1-CG 3.72Å
114	E	97.3	Very high	96.8	Very high	95 Å²	95	59 Å²	59	44%	0.444	28%	0.277	S	S	.	.			trans	-66	140.2	176.9	-173.9	172.6	-174.4	0	0	110.9	I87 P88 E89 G112 G116 A117	I87-E114 PolarHBondContact O-N 3.08Å; P88-E114 WeakPolarHBondContact CA-OE2 3.33Å; E89-E114 HydrophobicContact CB-CG 4.43Å; E89-E114 PolarHBondContact N-OE2 3.43Å; G112-E114 PolarHBondContact O-N 3.29Å; E114-G116 PolarHBondContact O-N 3.05Å; E114-G116 VanDerWaalsContact O-N 3.1Å; E114-A117 HydrophobicContact CB-CB 4.26Å; E114-A117 VanDerWaalsContact O-CB 3.32Å; E114-A117 WeakPolarHBondContact O-CB 3.34Å; E114-A117 PolarHBondContact O-N 3.48Å; E114-A117 VanDerWaalsContact O-N 3.12Å
115	K	92.2	Very high	96.8	Very high	188 Å²	188	59.4 Å²	59.4	82%	0.817	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	117.5	-177.2	-176	-177.8	179.7	-177.7	0	109.9
116	G	88.7	Confident	96.8	Very high	18 Å²	18	56 Å²	56	19%	0.186	26%	0.264	C	S	.	.	T	Hydrogen-bonded Turn	trans	100.3	-18.9	177.3	0	0	0	0	0	114.2	E114 L118 S119 Q120	E114-G116 PolarHBondContact O-N 3.05Å; E114-G116 VanDerWaalsContact O-N 3.1Å; G116-L118 VanDerWaalsContact C-N 3.28Å; G116-L118 PolarHBondContact O-N 3.05Å; G116-L118 VanDerWaalsContact O-N 3.17Å; G116-S119 WeakPolarHBondContact CA-OG 3.19Å; G116-S119 PolarHBondContact O-N 3.36Å; G116-S119 PolarHBondContact O-OG 3.27Å; G116-S119 VanDerWaalsContact O-OG 3.09Å; G116-Q120 PolarHBondContact O-N 3.48Å; G116-Q120 VanDerWaalsContact O-N 3.08Å
117	A	95.8	Very high	96.8	Very high	0 Å²	0	55.6 Å²	55.6	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	-41.3	-174.5	0	0	0	0	0	113.3	I87 E89 E114 Q120	I87-A117 HydrophobicContact CG2-CB 4.25Å; I87-A117 WeakPolarHBondContact O-CB 3.5Å; E89-A117 HydrophobicContact CB-CB 4.33Å; E114-A117 HydrophobicContact CB-CB 4.26Å; E114-A117 VanDerWaalsContact O-CB 3.32Å; E114-A117 WeakPolarHBondContact O-CB 3.34Å; E114-A117 PolarHBondContact O-N 3.48Å; E114-A117 VanDerWaalsContact O-N 3.12Å; A117-Q120 VanDerWaalsContact O-CG 3.26Å; A117-Q120 WeakPolarHBondContact O-CG 3.16Å; A117-Q120 PolarHBondContact O-NE2 3.16Å; A117-Q120 VanDerWaalsContact O-NE2 3.12Å
118	L	96.2	Very high	96.8	Very high	3 Å²	3	52 Å²	52	2%	0.016	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-42.6	175.7	-62.7	175	0	0	0	112.3	I87 I113 G116 Q120 L121 L127 P138 L141 P142	I87-L118 HydrophobicContact CD1-CD2 4.41Å; I87-L118 HydrophobicContact CG2-CD2 4.16Å; I113-L118 HydrophobicContact CG2-CD1 4.07Å; I113-L118 HydrophobicContact CG2-CG 4.32Å; G116-L118 VanDerWaalsContact C-N 3.28Å; G116-L118 PolarHBondContact O-N 3.05Å; G116-L118 VanDerWaalsContact O-N 3.17Å; L118-Q120 VanDerWaalsContact C-N 3.27Å; L118-Q120 PolarHBondContact O-N 2.87Å; L118-L121 WeakPolarHBondContact O-CB 3.3Å; L118-L121 PolarHBondContact O-N 2.79Å; L118-L121 VanDerWaalsContact O-N 3.1Å; L118-L127 HydrophobicContact CD1-CD2 4.21Å; L118-L127 HydrophobicContact CD2-CD2 4.29Å; L118-P138 HydrophobicContact CD1-CB 4.13Å; L118-L141 HydrophobicContact CD1-CD2 4.34Å; L118-P142 WeakPolarHBondContact O-CD 3.39Å; L118-P142 VanDerWaalsContact O-CG 3.27Å; L118-P142 WeakPolarHBondContact O-CG 3.37Å
119	S	94.4	Very high	96.8	Very high	42 Å²	42	52 Å²	52	29%	0.294	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-21.9	-172.1	66.8	0	0	0	0	114.9	G116 L121	G116-S119 WeakPolarHBondContact CA-OG 3.19Å; G116-S119 PolarHBondContact O-N 3.36Å; G116-S119 PolarHBondContact O-OG 3.27Å; G116-S119 VanDerWaalsContact O-OG 3.09Å; S119-L121 PolarHBondContact O-N 2.73Å
120	Q	94.9	Very high	96.8	Very high	56 Å²	56	51 Å²	51	26%	0.262	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-18.5	173.9	63.3	175.2	-29.7	0	0	113.2	E89 G116 A117 L118 K122	E89-Q120 PolarHBondContact O-NE2 3.14Å; G116-Q120 PolarHBondContact O-N 3.48Å; G116-Q120 VanDerWaalsContact O-N 3.08Å; A117-Q120 VanDerWaalsContact O-CG 3.26Å; A117-Q120 WeakPolarHBondContact O-CG 3.16Å; A117-Q120 PolarHBondContact O-NE2 3.16Å; A117-Q120 VanDerWaalsContact O-NE2 3.12Å; L118-Q120 VanDerWaalsContact C-N 3.27Å; L118-Q120 PolarHBondContact O-N 2.87Å; Q120-K122 VanDerWaalsContact C-N 3.26Å; Q120-K122 PolarHBondContact O-N 2.76Å
121	L	97.1	Very high	96.9	Very high	5 Å²	5	51.2 Å²	51.2	3%	0.026	24%	0.24	C	C	.	.			trans	-81.2	71.5	-175.5	-54.4	171.4	0	0	0	110.9	F92 L98 I101 L118 S119 K123 L124 P142	F92-L121 HydrophobicContact CB-CD2 3.98Å; F92-L121 HydrophobicContact CD1-CD1 4.42Å; F92-L121 HydrophobicContact CD1-CD2 4.42Å; F92-L121 HydrophobicContact CG-CD2 4.46Å; L98-L121 HydrophobicContact CD1-CD2 4.21Å; I101-L121 HydrophobicContact CD1-CD1 3.59Å; L118-L121 WeakPolarHBondContact O-CB 3.3Å; L118-L121 PolarHBondContact O-N 2.79Å; L118-L121 VanDerWaalsContact O-N 3.1Å; S119-L121 PolarHBondContact O-N 2.73Å; L121-K123 PolarHBondContact O-N 2.94Å; L121-L124 HydrophobicContact CB-CB 3.82Å; L121-L124 HydrophobicContact CB-CD2 4.38Å; L121-L124 HydrophobicContact CD1-CD2 4.04Å; L121-L124 VanDerWaalsContact O-CB 3.32Å; L121-L124 WeakPolarHBondContact O-CB 3.44Å; L121-L124 PolarHBondContact O-N 3.14Å; L121-P142 VanDerWaalsContact O-CB 3.25Å; L121-P142 WeakPolarHBondContact O-CB 3.33Å
122	K	96.8	Very high	97	Very high	177 Å²	177	41.4 Å²	41.4	77%	0.77	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-11	-172.1	-64.7	173.9	-174.4	175.4	0	115.6	Q120 S144	Q120-K122 VanDerWaalsContact C-N 3.26Å; Q120-K122 PolarHBondContact O-N 2.76Å; K122-S144 VanDerWaalsContact O-CB 3.27Å; K122-S144 WeakPolarHBondContact O-CB 3.48Å; K122-S144 PolarHBondContact O-OG 2.7Å
123	K	98.4	Very high	97.1	Very high	81 Å²	81	44.1 Å²	44.1	35%	0.352	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	2.2	178.7	-67.9	-176.8	177.4	173.3	0	112.9	Q97 L98 L121 L125	Q97-K123 VanDerWaalsContact CD-NZ 3.33Å; Q97-K123 VanDerWaalsContact NE2-NZ 3.18Å; L98-K123 CarbonylContact O-C 3.52Å; L121-K123 PolarHBondContact O-N 2.94Å; K123-L125 WeakPolarHBondContact O-CG 3.47Å; K123-L125 PolarHBondContact O-N 3.23Å
124	L	98.8	Very high	97.1	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	20%	0.204	C	C	.	.			trans	-68.9	123.1	-178.5	-171	69	0	0	0	109.8	L98 I101 L121 L127 P142 S144 L145	L98-L124 WeakPolarHBondContact O-CA 3.36Å; L98-L124 PolarHBondContact O-N 2.87Å; I101-L124 HydrophobicContact CB-CD1 4.22Å; I101-L124 HydrophobicContact CD1-CD1 3.64Å; I101-L124 HydrophobicContact CD1-CD2 4.12Å; I101-L124 HydrophobicContact CG1-CD1 3.63Å; L121-L124 HydrophobicContact CB-CB 3.82Å; L121-L124 HydrophobicContact CB-CD2 4.38Å; L121-L124 HydrophobicContact CD1-CD2 4.04Å; L121-L124 VanDerWaalsContact O-CB 3.32Å; L121-L124 WeakPolarHBondContact O-CB 3.44Å; L121-L124 PolarHBondContact O-N 3.14Å; L124-L127 HydrophobicContact CD2-CB 4.18Å; L124-L127 HydrophobicContact CD2-CD1 4.42Å; L124-L127 HydrophobicContact CD2-CD2 4.44Å; L124-P142 HydrophobicContact CB-CB 4.49Å; L124-P142 HydrophobicContact CB-CG 4.07Å; L124-P142 HydrophobicContact CD2-CG 3.81Å; L124-P142 HydrophobicContact CG-CG 4.47Å; L124-S144 PolarHBondContact N-OG 2.79Å; L124-S144 CarbonylContact O-C 3.27Å; L124-S144 WeakPolarHBondContact O-CB 3.24Å; L124-S144 PolarHBondContact O-OG 2.99Å; L124-L145 HydrophobicContact CD2-CD2 4.06Å; L124-L145 HydrophobicContact CG-CD2 3.96Å; L124-L145 WeakPolarHBondContact O-CA 3.2Å; L124-L145 PolarHBondContact O-N 3.06Å
125	L	98.9	Very high	97.2	Very high	30 Å²	30	43.4 Å²	43.4	16%	0.157	21%	0.208	C	C	.	.			trans	-107.4	-39.7	-178.4	-55.4	-178.6	0	0	0	111	R99 K123 S144 E146 Q147	R99-L125 PolarHBondContact O-N 3.35Å; K123-L125 WeakPolarHBondContact O-CG 3.47Å; K123-L125 PolarHBondContact O-N 3.23Å; L125-S144 WeakPolarHBondContact CD2-O 3.44Å; L125-E146 HydrophobicContact CB-CG 4.42Å; L125-E146 HydrophobicContact CD2-CG 4.25Å; L125-E146 PolarHBondContact O-N 2.86Å; L125-Q147 PolarHBondContact O-N 3.33Å
126	F	98.9	Very high	97.5	Very high	40 Å²	40	37 Å²	37	18%	0.175	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	121.5	-175.1	-52.7	-93.8	0	0	0	110.6	R99 W100 I101 F128 Q147	R99-F126 PolarHBondContact O-N 3.01Å; W100-F126 WeakPolarHBondContact CA-O 3.48Å; W100-F126 HydrophobicContact CD2-CB 3.96Å; W100-F126 HydrophobicContact CD2-CD2 4.47Å; W100-F126 HydrophobicContact CD2-CG 4.31Å; W100-F126 HydrophobicContact CE3-CB 3.54Å; W100-F126 HydrophobicContact CE3-CD1 4.07Å; W100-F126 AromaticContact CE3-CD2 3.46Å; W100-F126 HydrophobicContact CE3-CD2 3.46Å; W100-F126 VanDerWaalsContact CE3-CD2 3.46Å; W100-F126 HydrophobicContact CE3-CE2 4.21Å; W100-F126 AromaticContact CE3-CG 3.41Å; W100-F126 HydrophobicContact CE3-CG 3.41Å; W100-F126 VanDerWaalsContact CE3-CG 3.41Å; W100-F126 HydrophobicContact CG-CB 4.41Å; W100-F126 HydrophobicContact CZ3-CB 4Å; W100-F126 AromaticContact CZ3-CD1 3.77Å; W100-F126 HydrophobicContact CZ3-CD1 3.77Å; W100-F126 AromaticContact CZ3-CD2 3.95Å; W100-F126 HydrophobicContact CZ3-CD2 3.95Å; W100-F126 HydrophobicContact CZ3-CE1 4.26Å; W100-F126 HydrophobicContact CZ3-CE2 4.43Å; W100-F126 AromaticContact CZ3-CG 3.63Å; W100-F126 HydrophobicContact CZ3-CG 3.63Å; I101-F126 PolarHBondContact N-O 2.96Å; F126-F128 HydrophobicContact CB-CE2 3.55Å; F126-F128 HydrophobicContact CB-CZ 3.86Å; F126-F128 HydrophobicContact CD1-CZ 4.4Å; F126-Q147 HydrophobicContact CD1-CB 3.77Å; F126-Q147 HydrophobicContact CD1-CG 3.66Å; F126-Q147 HydrophobicContact CE1-CB 4.3Å; F126-Q147 VanDerWaalsContact CE1-CD 3.48Å; F126-Q147 HydrophobicContact CE1-CG 3.67Å
127	L	98.9	Very high	97.9	Very high	1 Å²	1	36.1 Å²	36.1	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	114.9	176.3	179.1	59.1	0	0	0	110	I101 L118 L124 L129 L141 L145 Q147 L148 Q149	I101-L127 HydrophobicContact CB-CD1 4.17Å; I101-L127 HydrophobicContact CG2-CD1 4.24Å; L118-L127 HydrophobicContact CD1-CD2 4.21Å; L118-L127 HydrophobicContact CD2-CD2 4.29Å; L124-L127 HydrophobicContact CD2-CB 4.18Å; L124-L127 HydrophobicContact CD2-CD1 4.42Å; L124-L127 HydrophobicContact CD2-CD2 4.44Å; L127-L129 HydrophobicContact CD1-CD1 4.18Å; L127-L129 HydrophobicContact CD1-CG 4.13Å; L127-L129 HydrophobicContact CD2-CD1 3.85Å; L127-L129 HydrophobicContact CG-CD1 3.89Å; L127-L129 HydrophobicContact CG-CG 4.15Å; L127-L141 HydrophobicContact CD2-CD2 4.2Å; L127-L145 HydrophobicContact CB-CD2 3.85Å; L127-Q147 PolarHBondContact N-O 2.76Å; L127-Q147 VanDerWaalsContact N-O 3.1Å; L127-L148 HydrophobicContact CB-CD1 4.24Å; L127-L148 HydrophobicContact CD2-CD1 4.01Å; L127-L148 HydrophobicContact CG-CD1 4.19Å; L127-Q149 PolarHBondContact O-N 2.88Å
128	F	98.9	Very high	98	Very high	16 Å²	16	36.3 Å²	36.3	7%	0.07	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.3	177.8	-48.6	-93.1	0	0	0	109.7	W100 I101 N102 L103 N104 F126 Q149	W100-F128 AromaticContact CD2-CE2 3.62Å; W100-F128 HydrophobicContact CD2-CE2 3.62Å; W100-F128 HydrophobicContact CD2-CZ 4.28Å; W100-F128 AromaticContact CE2-CD2 3.99Å; W100-F128 AromaticContact CE2-CE2 3.16Å; W100-F128 AromaticContact CE2-CZ 3.76Å; W100-F128 HydrophobicContact CE3-CE2 4.04Å; W100-F128 HydrophobicContact CE3-CZ 4.31Å; W100-F128 HydrophobicContact CG-CE2 4.26Å; W100-F128 HydrophobicContact CH2-CE1 4.37Å; W100-F128 AromaticContact CH2-CE2 3.66Å; W100-F128 HydrophobicContact CH2-CE2 3.66Å; W100-F128 AromaticContact CH2-CZ 3.31Å; W100-F128 HydrophobicContact CH2-CZ 3.31Å; W100-F128 HydrophobicContact CZ2-CD2 4.16Å; W100-F128 HydrophobicContact CZ2-CE1 4.28Å; W100-F128 AromaticContact CZ2-CE2 3.19Å; W100-F128 HydrophobicContact CZ2-CE2 3.19Å; W100-F128 AromaticContact CZ2-CZ 3.26Å; W100-F128 HydrophobicContact CZ2-CZ 3.26Å; W100-F128 HydrophobicContact CZ3-CE2 4.05Å; W100-F128 AromaticContact CZ3-CZ 3.85Å; W100-F128 HydrophobicContact CZ3-CZ 3.85Å; W100-F128 AromaticContact NE1-CD2 3.93Å; W100-F128 AromaticContact NE1-CE2 3.55Å; I101-F128 WeakPolarHBondContact O-CD2 3.4Å; I101-F128 PolarHBondContact O-N 3.01Å; N102-F128 HydrophobicContact CB-CD2 4.3Å; L103-F128 WeakPolarHBondContact CA-O 3.34Å; L103-F128 WeakPolarHBondContact CB-O 3.34Å; L103-F128 PolarHBondContact N-O 2.96Å; N104-F128 WeakPolarHBondContact OD1-CB 3.47Å; F126-F128 HydrophobicContact CB-CE2 3.55Å; F126-F128 HydrophobicContact CB-CZ 3.86Å; F126-F128 HydrophobicContact CD1-CZ 4.4Å; F128-Q149 HydrophobicContact CD1-CB 4.03Å; F128-Q149 HydrophobicContact CD1-CG 3.84Å; F128-Q149 HydrophobicContact CE1-CG 4.07Å
129	L	98.9	Very high	98	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.193	C	C	.	.			trans	-133.2	26.4	-178.5	-76.4	167	0	0	0	110.4	I87 L103 N104 I108 L127 N132 L134 P138 Q149 L150 N153	I87-L129 HydrophobicContact CD1-CD2 4.16Å; L103-L129 HydrophobicContact CB-CD2 3.81Å; L103-L129 HydrophobicContact CD1-CD2 4.02Å; N104-L129 PolarHBondContact OD1-N 3.17Å; I108-L129 HydrophobicContact CD1-CD2 3.93Å; L127-L129 HydrophobicContact CD1-CD1 4.18Å; L127-L129 HydrophobicContact CD1-CG 4.13Å; L127-L129 HydrophobicContact CD2-CD1 3.85Å; L127-L129 HydrophobicContact CG-CD1 3.89Å; L127-L129 HydrophobicContact CG-CG 4.15Å; L129-N132 PolarHBondContact O-ND2 3.34Å; L129-L134 HydrophobicContact CB-CD1 4.11Å; L129-L134 HydrophobicContact CD1-CD1 4.26Å; L129-P138 HydrophobicContact CD1-CG 4.21Å; L129-Q149 CarbonylContact C-O 3.49Å; L129-Q149 WeakPolarHBondContact CA-O 3.16Å; L129-Q149 PolarHBondContact N-O 3.25Å; L129-L150 HydrophobicContact CB-CD2 3.78Å; L129-L150 HydrophobicContact CD1-CD2 4.01Å; L129-N153 PolarHBondContact O-ND2 3.47Å
130	E	98.9	Very high	98	Very high	22 Å²	22	40.1 Å²	40.1	10%	0.103	20%	0.198	C	C	.	.			trans	-66.6	155.3	177.9	-55.9	171.8	-101.8	0	0	111.5	N104 K105 N132 Q149 A151 R152	N104-E130 CarbonylContact C-O 3.15Å; N104-E130 VanDerWaalsContact CA-O 3.23Å; N104-E130 WeakPolarHBondContact CA-O 3.36Å; N104-E130 PolarHBondContact ND2-OE1 2.95Å; N104-E130 WeakPolarHBondContact OD1-CB 3.3Å; N104-E130 PolarHBondContact OD1-N 3.1Å; K105-E130 PolarHBondContact N-O 3.12Å; E130-N132 PolarHBondContact O-N 3.44Å; E130-N132 PolarHBondContact O-ND2 3.42Å; E130-Q149 HydrophobicContact CG-CB 3.84Å; E130-Q149 PolarHBondContact OE1-OE1 3.39Å; E130-A151 CarbonylContact C-O 3.43Å; E130-A151 WeakPolarHBondContact CA-O 3.39Å; E130-A151 WeakPolarHBondContact CB-O 3.41Å; E130-A151 HydrophobicContact CG-CB 4.07Å; E130-R152 IonicContact OE2-CZ 3.69Å; E130-R152 VanDerWaalsContact OE2-CZ 3.26Å; E130-R152 IonicContact OE2-NH1 2.69Å; E130-R152 PolarHBondContact OE2-NH1 2.98Å; E130-R152 IonicContact OE2-NH2 2.72Å; E130-R152 PolarHBondContact OE2-NH2 3.03Å
131	D	98.9	Very high	98.2	Very high	44 Å²	44	38 Å²	38	24%	0.235	19%	0.189	C	C	.	.	S	Bend	trans	52.6	52.6	178.7	-61.2	-63.2	0	0	0	112.4	K105 N106 A151 R152	K105-D131 WeakPolarHBondContact CA-O 3.49Å; K105-D131 HydrophobicContact CB-CB 4.22Å; K105-D131 WeakPolarHBondContact CE-OD2 3.14Å; K105-D131 HydrophobicContact CG-CB 3.47Å; K105-D131 VanDerWaalsContact CG-CB 3.47Å; K105-D131 WeakPolarHBondContact CG-OD2 3.49Å; K105-D131 PolarHBondContact N-O 2.86Å; N106-D131 PolarHBondContact N-O 3.11Å; D131-A151 PolarHBondContact N-O 3.38Å; D131-R152 VanDerWaalsContact CA-O 3.27Å; D131-R152 WeakPolarHBondContact CA-O 3.42Å; D131-R152 PolarHBondContact N-O 3.08Å; D131-R152 VanDerWaalsContact OD1-CB 3.29Å; D131-R152 WeakPolarHBondContact OD1-CB 3.44Å; D131-R152 VanDerWaalsContact OD1-CD 3.25Å; D131-R152 WeakPolarHBondContact OD1-CD 3.21Å; D131-R152 IonicContact OD1-CZ 2.96Å; D131-R152 IonicContact OD1-NE 3Å; D131-R152 PolarHBondContact OD1-NE 2.94Å; D131-R152 IonicContact OD1-NH2 3.25Å; D131-R152 IonicContact OD2-CZ 3.57Å; D131-R152 VanDerWaalsContact OD2-CZ 3.25Å; D131-R152 IonicContact OD2-NE 3.42Å; D131-R152 PolarHBondContact OD2-NE 3.26Å; D131-R152 IonicContact OD2-NH2 2.83Å; D131-R152 PolarHBondContact OD2-NH2 3.05Å
132	N	98.9	Very high	98.2	Very high	10 Å²	10	37.9 Å²	37.9	5%	0.053	19%	0.188	C	C	.	.	S	Bend	trans	-124.3	-167.5	174.3	-86	-83.8	0	0	0	109.9	L103 N106 K107 I108 L129 E130 L134 N153	L103-N132 PolarHBondContact O-ND2 2.85Å; N106-N132 WeakPolarHBondContact CA-OD1 3.21Å; N106-N132 WeakPolarHBondContact CB-OD1 3.45Å; N106-N132 PolarHBondContact O-OD1 3.14Å; K107-N132 PolarHBondContact N-OD1 3.29Å; I108-N132 HydrophobicContact CB-CB 4.42Å; I108-N132 VanDerWaalsContact CB-OD1 3.3Å; I108-N132 WeakPolarHBondContact CB-OD1 3.3Å; I108-N132 WeakPolarHBondContact CG1-OD1 3.25Å; I108-N132 PolarHBondContact N-OD1 3.4Å; L129-N132 PolarHBondContact O-ND2 3.34Å; E130-N132 PolarHBondContact O-N 3.44Å; E130-N132 PolarHBondContact O-ND2 3.42Å; N132-L134 HydrophobicContact CB-CG 4.45Å; N132-N153 VanDerWaalsContact CA-OD1 3.3Å; N132-N153 WeakPolarHBondContact CA-OD1 3.48Å; N132-N153 WeakPolarHBondContact CB-OD1 3.11Å; N132-N153 PolarHBondContact N-OD1 3.25Å; N132-N153 PolarHBondContact O-OD1 2.81Å
133	E	98.7	Very high	98.2	Very high	70 Å²	70	37.7 Å²	37.7	33%	0.327	18%	0.183	S	C	.	.			trans	-114.1	30.7	-176.6	-58.6	-156.9	-149.3	0	0	112.7	I108 T109 E135 N153 K154	I108-E133 CarbonylContact O-C 3.16Å; I108-E133 VanDerWaalsContact O-C 3.25Å; I108-E133 WeakPolarHBondContact O-CA 3.39Å; I108-E133 PolarHBondContact O-N 2.87Å; T109-E133 HydrophobicContact CG2-CB 3.91Å; E133-E135 PolarHBondContact O-N 3.17Å; E133-N153 PolarHBondContact N-OD1 2.81Å; E133-K154 IonicContact OE2-NZ 3.65Å; E133-K154 PolarHBondContact OE2-NZ 3.12Å
134	L	98.8	Very high	98.2	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	17%	0.171	C	C	.	.			trans	-71	129.1	179.4	-59.1	171.5	0	0	0	110.8	I108 N110 I113 L129 N132 P138 L150 N153 K154 V155	I108-L134 HydrophobicContact CG2-CD2 4.09Å; I108-L134 PolarHBondContact O-N 3.08Å; N110-L134 WeakPolarHBondContact OD1-CA 3.41Å; I113-L134 HydrophobicContact CD1-CD2 3.88Å; L129-L134 HydrophobicContact CB-CD1 4.11Å; L129-L134 HydrophobicContact CD1-CD1 4.26Å; N132-L134 HydrophobicContact CB-CG 4.45Å; L134-P138 HydrophobicContact CD1-CG 3.96Å; L134-P138 HydrophobicContact CD2-CG 4.31Å; L134-L150 HydrophobicContact CD1-CD2 3.49Å; L134-L150 VanDerWaalsContact CD1-CD2 3.49Å; L134-N153 HydrophobicContact CB-CB 4.2Å; L134-N153 VanDerWaalsContact CB-OD1 3.32Å; L134-N153 WeakPolarHBondContact CB-OD1 3.25Å; L134-N153 WeakPolarHBondContact CG-OD1 3.32Å; L134-N153 PolarHBondContact N-OD1 3.06Å; L134-K154 CarbonylContact O-C 3.52Å; L134-K154 WeakPolarHBondContact O-CA 3.37Å; L134-K154 WeakPolarHBondContact O-CB 3.32Å; L134-K154 PolarHBondContact O-N 3Å; L134-V155 HydrophobicContact CB-CG2 4.11Å; L134-V155 PolarHBondContact O-N 3.19Å
135	E	98.6	Very high	98.2	Very high	109 Å²	109	34.7 Å²	34.7	51%	0.509	17%	0.171	S	C	.	.	S	Bend	trans	-99.9	-18.5	176.1	-62.1	-172.2	175.3	0	0	112.8	N110 E133 K154 V155 S156	N110-E135 PolarHBondContact OD1-N 3.09Å; E133-E135 PolarHBondContact O-N 3.17Å; E135-K154 HydrophobicContact CG-CB 4.29Å; E135-V155 CarbonylContact O-C 3.54Å; E135-V155 WeakPolarHBondContact O-CA 3.32Å; E135-S156 PolarHBondContact O-N 3.01Å; E135-S156 PolarHBondContact O-OG 3.17Å
136	E	98.4	Very high	98.2	Very high	52 Å²	52	36.5 Å²	36.5	24%	0.243	18%	0.179	C	C	.	.	B	Isolated β-bridge	trans	-135	158	174	-44.4	-166.6	167.2	0	0	110.5	N110 P138 R157 P159	N110-E136 PolarHBondContact ND2-O 2.79Å; N110-E136 PolarHBondContact OD1-N 3.49Å; N110-E136 PolarHBondContact OD1-O 2.95Å; E136-P138 WeakPolarHBondContact O-CD 3.32Å; E136-R157 VanDerWaalsContact CA-O 3.28Å; E136-R157 WeakPolarHBondContact CA-O 3.31Å; E136-R157 HydrophobicContact CB-CB 4.4Å; E136-R157 HydrophobicContact CG-CB 4Å; E136-R157 IonicContact OE1-CZ 3.67Å; E136-R157 VanDerWaalsContact OE1-CZ 3.27Å; E136-R157 IonicContact OE1-NE 2.75Å; E136-R157 IonicContact OE1-NH1 3.69Å; E136-R157 PolarHBondContact OE1-NH1 2.82Å; E136-P159 HydrophobicContact CB-CG 4.35Å
137	V	98.4	Very high	98.2	Very high	1 Å²	1	37 Å²	37	1%	0.006	18%	0.182	C	C	.	.			trans	-63.9	127.3	169.4	-179.3	0	0	0	0	109	S139 L141 L150 V155 R157 I158 P159 T162 F163 L174	V137-S139 PolarHBondContact O-N 3.36Å; V137-L141 HydrophobicContact CG1-CD1 4.37Å; V137-L150 HydrophobicContact CG1-CD1 3.9Å; V137-L150 HydrophobicContact CG2-CD1 4.26Å; V137-V155 HydrophobicContact CG2-CG1 3.87Å; V137-R157 PolarHBondContact N-O 3.22Å; V137-R157 VanDerWaalsContact N-O 3.08Å; V137-I158 HydrophobicContact CG2-CB 4.42Å; V137-I158 HydrophobicContact CG2-CG1 3.87Å; V137-I158 HydrophobicContact CG2-CG2 4.35Å; V137-P159 WeakPolarHBondContact O-CD 3.26Å; V137-T162 HydrophobicContact CB-CG2 4.32Å; V137-T162 HydrophobicContact CG1-CG2 3.67Å; V137-F163 HydrophobicContact CG1-CE1 3.88Å; V137-F163 HydrophobicContact CG1-CZ 3.98Å; V137-F163 HydrophobicContact CG2-CZ 4.31Å; V137-L174 HydrophobicContact CG2-CD2 4.01Å
138	P	97.4	Very high	98.2	Very high	4 Å²	4	36.9 Å²	36.9	3%	0.026	18%	0.182	C	C	.	.			trans	-56.8	139.9	178	-24.6	33.8	0	0	0	111.8	I113 L118 L129 L134 E136 L141 L150	I113-P138 HydrophobicContact CD1-CB 3.82Å; I113-P138 HydrophobicContact CD1-CG 3.72Å; L118-P138 HydrophobicContact CD1-CB 4.13Å; L129-P138 HydrophobicContact CD1-CG 4.21Å; L134-P138 HydrophobicContact CD1-CG 3.96Å; L134-P138 HydrophobicContact CD2-CG 4.31Å; E136-P138 WeakPolarHBondContact O-CD 3.32Å; P138-L141 HydrophobicContact CB-CD2 4.31Å; P138-L141 VanDerWaalsContact O-CG 3.27Å; P138-L141 WeakPolarHBondContact O-CG 3.2Å; P138-L150 HydrophobicContact CG-CD2 4.43Å
139	S	95.5	Very high	98.2	Very high	64 Å²	64	37.8 Å²	37.8	45%	0.448	19%	0.186	S	C	.	.	S	Bend	trans	-152.3	136.7	-179.1	-171	0	0	0	0	110.4	V137 T162	V137-S139 PolarHBondContact O-N 3.36Å; S139-T162 WeakPolarHBondContact CB-OG1 3.45Å; S139-T162 PolarHBondContact OG-OG1 2.73Å
140	P	96.2	Very high	98.2	Very high	61 Å²	61	37.8 Å²	37.8	40%	0.396	19%	0.186	S	C	.	.	S	Bend	cis	-78.7	151.3	0.4	30.9	-33.7	0	0	0	113.8
141	L	97.4	Very high	98.2	Very high	12 Å²	12	36.7 Å²	36.7	6%	0.063	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-102.6	152.2	174.8	-69.8	166	0	0	0	111.5	L118 L127 V137 P138 R143 L145 L148 T162 F163 L166	L118-L141 HydrophobicContact CD1-CD2 4.34Å; L127-L141 HydrophobicContact CD2-CD2 4.2Å; V137-L141 HydrophobicContact CG1-CD1 4.37Å; P138-L141 HydrophobicContact CB-CD2 4.31Å; P138-L141 VanDerWaalsContact O-CG 3.27Å; P138-L141 WeakPolarHBondContact O-CG 3.2Å; L141-R143 PolarHBondContact O-N 3.1Å; L141-L145 HydrophobicContact CB-CD1 4.02Å; L141-L145 HydrophobicContact CD2-CD1 4.16Å; L141-L145 HydrophobicContact CG-CD1 4.47Å; L141-L148 HydrophobicContact CD1-CD2 3.61Å; L141-T162 HydrophobicContact CD1-CG2 3.99Å; L141-F163 HydrophobicContact CD1-CE1 4.48Å; L141-L166 HydrophobicContact CB-CD1 4.21Å; L141-L166 HydrophobicContact CB-CD2 4.12Å; L141-L166 HydrophobicContact CD1-CD1 3.83Å
142	P	96.9	Very high	98.2	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	19%	0.186	C	C	.	.	P	Polyproline II helix	trans	-66.4	133	175.1	18.1	-21.9	0	0	0	111.7	L118 L121 L124 S144 L145 L166	L118-P142 WeakPolarHBondContact O-CD 3.39Å; L118-P142 VanDerWaalsContact O-CG 3.27Å; L118-P142 WeakPolarHBondContact O-CG 3.37Å; L121-P142 VanDerWaalsContact O-CB 3.25Å; L121-P142 WeakPolarHBondContact O-CB 3.33Å; L124-P142 HydrophobicContact CB-CB 4.49Å; L124-P142 HydrophobicContact CB-CG 4.07Å; L124-P142 HydrophobicContact CD2-CG 3.81Å; L124-P142 HydrophobicContact CG-CG 4.47Å; P142-S144 PolarHBondContact O-N 3.12Å; P142-S144 VanDerWaalsContact O-N 3.17Å; P142-L145 HydrophobicContact CG-CD1 4.13Å; P142-L145 HydrophobicContact CG-CD2 4.47Å; P142-L145 HydrophobicContact CG-CG 3.98Å; P142-L145 WeakPolarHBondContact O-CG 3.11Å; P142-L145 PolarHBondContact O-N 3.1Å; P142-L166 WeakPolarHBondContact O-CD2 3.48Å
143	R	97.4	Very high	98.2	Very high	174 Å²	174	38.9 Å²	38.9	66%	0.657	19%	0.186	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.7	-18.2	-175	-61.2	-177.3	-174.3	175.5	0.6	114.3	L141 L145 N165	L141-R143 PolarHBondContact O-N 3.1Å; R143-L145 VanDerWaalsContact C-N 3.28Å; R143-N165 HydrophobicContact CG-CB 3.97Å
144	S	98.4	Very high	98.2	Very high	17 Å²	17	39 Å²	39	12%	0.119	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-11	179.3	50.9	0	0	0	0	113.9	K122 L124 L125 P142 E146	K122-S144 VanDerWaalsContact O-CB 3.27Å; K122-S144 WeakPolarHBondContact O-CB 3.48Å; K122-S144 PolarHBondContact O-OG 2.7Å; L124-S144 PolarHBondContact N-OG 2.79Å; L124-S144 CarbonylContact O-C 3.27Å; L124-S144 WeakPolarHBondContact O-CB 3.24Å; L124-S144 PolarHBondContact O-OG 2.99Å; L125-S144 WeakPolarHBondContact CD2-O 3.44Å; P142-S144 PolarHBondContact O-N 3.12Å; P142-S144 VanDerWaalsContact O-N 3.17Å; S144-E146 PolarHBondContact O-N 3.33Å
145	L	98.7	Very high	98.2	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.185	C	C	.	.			trans	-57.3	132.5	-173.9	-78.5	174.8	0	0	0	112.2	L124 L127 L141 P142 R143 N168 L169	L124-L145 HydrophobicContact CD2-CD2 4.06Å; L124-L145 HydrophobicContact CG-CD2 3.96Å; L124-L145 WeakPolarHBondContact O-CA 3.2Å; L124-L145 PolarHBondContact O-N 3.06Å; L127-L145 HydrophobicContact CB-CD2 3.85Å; L141-L145 HydrophobicContact CB-CD1 4.02Å; L141-L145 HydrophobicContact CD2-CD1 4.16Å; L141-L145 HydrophobicContact CG-CD1 4.47Å; P142-L145 HydrophobicContact CG-CD1 4.13Å; P142-L145 HydrophobicContact CG-CD2 4.47Å; P142-L145 HydrophobicContact CG-CG 3.98Å; P142-L145 WeakPolarHBondContact O-CG 3.11Å; P142-L145 PolarHBondContact O-N 3.1Å; R143-L145 VanDerWaalsContact C-N 3.28Å; L145-N168 CarbonylContact O-C 3.51Å; L145-N168 VanDerWaalsContact O-C 3.25Å; L145-L169 HydrophobicContact CB-CD1 3.93Å; L145-L169 WeakPolarHBondContact O-CA 3.17Å; L145-L169 PolarHBondContact O-N 2.94Å; L145-L169 VanDerWaalsContact O-N 3.12Å
146	E	98.9	Very high	98.2	Very high	69 Å²	69	35.9 Å²	35.9	32%	0.322	18%	0.176	S	C	.	.	S	Bend	trans	-105.4	-33.8	172.5	-67.1	179.5	-168.8	0	0	111	L125 S144 N168 T170 L171	L125-E146 HydrophobicContact CB-CG 4.42Å; L125-E146 HydrophobicContact CD2-CG 4.25Å; L125-E146 PolarHBondContact O-N 2.86Å; S144-E146 PolarHBondContact O-N 3.33Å; E146-N168 WeakPolarHBondContact CA-O 3.11Å; E146-N168 HydrophobicContact CG-CB 4.43Å; E146-T170 PolarHBondContact O-N 3.2Å; E146-T170 PolarHBondContact O-OG1 3.2Å; E146-L171 PolarHBondContact O-N 3.01Å
147	Q	98.9	Very high	98.2	Very high	49 Å²	49	40.5 Å²	40.5	23%	0.229	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	132.3	177.7	-55	-165.9	2.4	0	0	112.1	L125 F126 L127 L171	L125-Q147 PolarHBondContact O-N 3.33Å; F126-Q147 HydrophobicContact CD1-CB 3.77Å; F126-Q147 HydrophobicContact CD1-CG 3.66Å; F126-Q147 HydrophobicContact CE1-CB 4.3Å; F126-Q147 VanDerWaalsContact CE1-CD 3.48Å; F126-Q147 HydrophobicContact CE1-CG 3.67Å; L127-Q147 PolarHBondContact N-O 2.76Å; L127-Q147 VanDerWaalsContact N-O 3.1Å; Q147-L171 HydrophobicContact CB-CB 4.36Å; Q147-L171 HydrophobicContact CG-CB 4.01Å
148	L	98.9	Very high	98.1	Very high	0 Å²	0	41 Å²	41	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	115.8	174.9	178.6	60.2	0	0	0	109.4	L127 L141 L150 F163 L169 L171 L172 D173	L127-L148 HydrophobicContact CB-CD1 4.24Å; L127-L148 HydrophobicContact CD2-CD1 4.01Å; L127-L148 HydrophobicContact CG-CD1 4.19Å; L141-L148 HydrophobicContact CD1-CD2 3.61Å; L148-L150 HydrophobicContact CD1-CD1 4.14Å; L148-L150 HydrophobicContact CD1-CD2 4.45Å; L148-L150 HydrophobicContact CD1-CG 4.05Å; L148-L150 HydrophobicContact CD2-CD1 3.75Å; L148-L150 HydrophobicContact CG-CD1 3.78Å; L148-L150 HydrophobicContact CG-CG 4.02Å; L148-F163 HydrophobicContact CD2-CE1 4.38Å; L148-L169 HydrophobicContact CB-CD1 3.98Å; L148-L171 PolarHBondContact N-O 3.5Å; L148-L172 HydrophobicContact CB-CD1 4.15Å; L148-L172 HydrophobicContact CD2-CD1 3.89Å; L148-L172 HydrophobicContact CG-CD1 4.1Å; L148-D173 PolarHBondContact O-N 3.37Å
149	Q	98.9	Very high	98.1	Very high	34 Å²	34	42.5 Å²	42.5	16%	0.159	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	115.2	178.6	-58	-147	16.9	0	0	110.8	L127 F128 L129 E130 L171 D173	L127-Q149 PolarHBondContact O-N 2.88Å; F128-Q149 HydrophobicContact CD1-CB 4.03Å; F128-Q149 HydrophobicContact CD1-CG 3.84Å; F128-Q149 HydrophobicContact CE1-CG 4.07Å; L129-Q149 CarbonylContact C-O 3.49Å; L129-Q149 WeakPolarHBondContact CA-O 3.16Å; L129-Q149 PolarHBondContact N-O 3.25Å; E130-Q149 HydrophobicContact CG-CB 3.84Å; E130-Q149 PolarHBondContact OE1-OE1 3.39Å; Q149-L171 HydrophobicContact CG-CD2 4.1Å; Q149-D173 HydrophobicContact CG-CB 4.47Å
150	L	98.9	Very high	98.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.217	C	C	.	.			trans	-126.6	19.4	-176.6	-68.9	164.4	0	0	0	111.4	L129 L134 V137 P138 L148 N153 D173 L174 N177	L129-L150 HydrophobicContact CB-CD2 3.78Å; L129-L150 HydrophobicContact CD1-CD2 4.01Å; L134-L150 HydrophobicContact CD1-CD2 3.49Å; L134-L150 VanDerWaalsContact CD1-CD2 3.49Å; V137-L150 HydrophobicContact CG1-CD1 3.9Å; V137-L150 HydrophobicContact CG2-CD1 4.26Å; P138-L150 HydrophobicContact CG-CD2 4.43Å; L148-L150 HydrophobicContact CD1-CD1 4.14Å; L148-L150 HydrophobicContact CD1-CD2 4.45Å; L148-L150 HydrophobicContact CD1-CG 4.05Å; L148-L150 HydrophobicContact CD2-CD1 3.75Å; L148-L150 HydrophobicContact CG-CD1 3.78Å; L148-L150 HydrophobicContact CG-CG 4.02Å; L150-N153 PolarHBondContact O-ND2 3.28Å; L150-N153 VanDerWaalsContact O-ND2 3.08Å; L150-D173 CarbonylContact C-O 3.28Å; L150-D173 WeakPolarHBondContact CA-O 3.41Å; L150-D173 WeakPolarHBondContact CB-O 3.32Å; L150-D173 PolarHBondContact N-O 2.83Å; L150-L174 HydrophobicContact CB-CD2 4.04Å; L150-L174 HydrophobicContact CD1-CD2 3.93Å; L150-N177 PolarHBondContact O-ND2 3.47Å
151	A	98.9	Very high	98	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.217	C	C	.	.			trans	-61.9	152.6	-177.7	0	0	0	0	0	111.8	E130 D131 N153 Q175	E130-A151 CarbonylContact C-O 3.43Å; E130-A151 WeakPolarHBondContact CA-O 3.39Å; E130-A151 WeakPolarHBondContact CB-O 3.41Å; E130-A151 HydrophobicContact CG-CB 4.07Å; D131-A151 PolarHBondContact N-O 3.38Å; A151-N153 PolarHBondContact O-N 3.34Å; A151-N153 PolarHBondContact O-ND2 2.82Å; A151-Q175 CarbonylContact C-O 3.43Å; A151-Q175 WeakPolarHBondContact CA-O 3.41Å; A151-Q175 HydrophobicContact CB-CB 4.15Å
152	R	98.9	Very high	97.9	Very high	89 Å²	89	45.7 Å²	45.7	34%	0.336	22%	0.216	S	C	.	.	S	Bend	trans	57.6	48.7	175.3	-56.3	-179.9	-60.9	-72.3	-0	112.5	E130 D131 Q175 H176	E130-R152 IonicContact OE2-CZ 3.69Å; E130-R152 VanDerWaalsContact OE2-CZ 3.26Å; E130-R152 IonicContact OE2-NH1 2.69Å; E130-R152 PolarHBondContact OE2-NH1 2.98Å; E130-R152 IonicContact OE2-NH2 2.72Å; E130-R152 PolarHBondContact OE2-NH2 3.03Å; D131-R152 VanDerWaalsContact CA-O 3.27Å; D131-R152 WeakPolarHBondContact CA-O 3.42Å; D131-R152 PolarHBondContact N-O 3.08Å; D131-R152 VanDerWaalsContact OD1-CB 3.29Å; D131-R152 WeakPolarHBondContact OD1-CB 3.44Å; D131-R152 VanDerWaalsContact OD1-CD 3.25Å; D131-R152 WeakPolarHBondContact OD1-CD 3.21Å; D131-R152 IonicContact OD1-CZ 2.96Å; D131-R152 IonicContact OD1-NE 3Å; D131-R152 PolarHBondContact OD1-NE 2.94Å; D131-R152 IonicContact OD1-NH2 3.25Å; D131-R152 IonicContact OD2-CZ 3.57Å; D131-R152 VanDerWaalsContact OD2-CZ 3.25Å; D131-R152 IonicContact OD2-NE 3.42Å; D131-R152 PolarHBondContact OD2-NE 3.26Å; D131-R152 IonicContact OD2-NH2 2.83Å; D131-R152 PolarHBondContact OD2-NH2 3.05Å; R152-Q175 PolarHBondContact N-O 3.45Å; R152-H176 WeakPolarHBondContact CA-O 3.27Å; R152-H176 HydrophobicContact CG-CB 3.87Å; R152-H176 PolarHBondContact N-O 2.83Å
153	N	98.9	Very high	97.9	Very high	11 Å²	11	45.8 Å²	45.8	6%	0.059	22%	0.217	C	C	.	.	S	Bend	trans	-116.7	-163.9	171.3	-85.3	-87.9	0	0	0	109.5	L129 N132 E133 L134 L150 A151 V155 H176 N177	L129-N153 PolarHBondContact O-ND2 3.47Å; N132-N153 VanDerWaalsContact CA-OD1 3.3Å; N132-N153 WeakPolarHBondContact CA-OD1 3.48Å; N132-N153 WeakPolarHBondContact CB-OD1 3.11Å; N132-N153 PolarHBondContact N-OD1 3.25Å; N132-N153 PolarHBondContact O-OD1 2.81Å; E133-N153 PolarHBondContact N-OD1 2.81Å; L134-N153 HydrophobicContact CB-CB 4.2Å; L134-N153 VanDerWaalsContact CB-OD1 3.32Å; L134-N153 WeakPolarHBondContact CB-OD1 3.25Å; L134-N153 WeakPolarHBondContact CG-OD1 3.32Å; L134-N153 PolarHBondContact N-OD1 3.06Å; L150-N153 PolarHBondContact O-ND2 3.28Å; L150-N153 VanDerWaalsContact O-ND2 3.08Å; A151-N153 PolarHBondContact O-N 3.34Å; A151-N153 PolarHBondContact O-ND2 2.82Å; N153-V155 HydrophobicContact CB-CG2 3.98Å; N153-H176 PolarHBondContact N-O 2.97Å; N153-N177 VanDerWaalsContact CA-OD1 3.3Å; N153-N177 WeakPolarHBondContact CA-OD1 3.5Å; N153-N177 WeakPolarHBondContact CB-OD1 3.36Å; N153-N177 PolarHBondContact N-OD1 3.01Å; N153-N177 PolarHBondContact O-OD1 2.77Å
154	K	98.8	Very high	97.8	Very high	73 Å²	73	40.2 Å²	40.2	32%	0.317	20%	0.204	S	C	.	.			trans	-112.1	22.5	176.3	-59.3	168.2	-172.8	167.9	0	111.1	E133 L134 E135 S156 N177 K178	E133-K154 IonicContact OE2-NZ 3.65Å; E133-K154 PolarHBondContact OE2-NZ 3.12Å; L134-K154 CarbonylContact O-C 3.52Å; L134-K154 WeakPolarHBondContact O-CA 3.37Å; L134-K154 WeakPolarHBondContact O-CB 3.32Å; L134-K154 PolarHBondContact O-N 3Å; E135-K154 HydrophobicContact CG-CB 4.29Å; K154-S156 PolarHBondContact O-N 2.89Å; K154-S156 VanDerWaalsContact O-N 3.17Å; K154-N177 PolarHBondContact N-OD1 2.81Å; K154-K178 HydrophobicContact CB-CD 4.32Å
155	V	98.8	Very high	97.6	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	22%	0.22	C	C	.	.			trans	-62.7	117.9	-169.9	178.4	0	0	0	0	110.3	L134 E135 V137 N153 N177 K178 L179	L134-V155 HydrophobicContact CB-CG2 4.11Å; L134-V155 PolarHBondContact O-N 3.19Å; E135-V155 CarbonylContact O-C 3.54Å; E135-V155 WeakPolarHBondContact O-CA 3.32Å; V137-V155 HydrophobicContact CG2-CG1 3.87Å; N153-V155 HydrophobicContact CB-CG2 3.98Å; V155-N177 HydrophobicContact CB-CB 4.13Å; V155-N177 VanDerWaalsContact CB-OD1 3.25Å; V155-N177 WeakPolarHBondContact CB-OD1 3.4Å; V155-N177 WeakPolarHBondContact CG2-OD1 3.27Å; V155-N177 PolarHBondContact N-OD1 3.38Å; V155-K178 CarbonylContact O-C 3.19Å; V155-K178 VanDerWaalsContact O-CA 3.32Å; V155-K178 WeakPolarHBondContact O-CA 3.22Å; V155-K178 PolarHBondContact O-N 3.25Å; V155-L179 HydrophobicContact CG1-CD2 4.08Å; V155-L179 PolarHBondContact O-N 2.89Å
156	S	98.4	Very high	97.6	Very high	43 Å²	43	43.5 Å²	43.5	30%	0.301	22%	0.221	S	C	.	.			trans	-117.5	-13.7	178	62.6	0	0	0	0	112.7	E135 K154 A183	E135-S156 PolarHBondContact O-N 3.01Å; E135-S156 PolarHBondContact O-OG 3.17Å; K154-S156 PolarHBondContact O-N 2.89Å; K154-S156 VanDerWaalsContact O-N 3.17Å; S156-A183 WeakPolarHBondContact O-CB 3.45Å
157	R	97.8	Very high	97.5	Very high	148 Å²	148	44 Å²	44	56%	0.558	22%	0.223	S	C	*	.	B	Isolated β-bridge	trans	-136.6	145.6	-176.7	-61.4	174	66.6	-154.3	-7	111.7	E136 V137	E136-R157 VanDerWaalsContact CA-O 3.28Å; E136-R157 WeakPolarHBondContact CA-O 3.31Å; E136-R157 HydrophobicContact CB-CB 4.4Å; E136-R157 HydrophobicContact CG-CB 4Å; E136-R157 IonicContact OE1-CZ 3.67Å; E136-R157 VanDerWaalsContact OE1-CZ 3.27Å; E136-R157 IonicContact OE1-NE 2.75Å; E136-R157 IonicContact OE1-NH1 3.69Å; E136-R157 PolarHBondContact OE1-NH1 2.82Å; V137-R157 PolarHBondContact N-O 3.22Å; V137-R157 VanDerWaalsContact N-O 3.08Å
158	I	98.1	Very high	97.5	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.062	23%	0.233	C	C	.	.			trans	-115.6	108.5	171.1	-55.6	173.9	0	0	0	106.3	V137 F163 L179 F184 T188	V137-I158 HydrophobicContact CG2-CB 4.42Å; V137-I158 HydrophobicContact CG2-CG1 3.87Å; V137-I158 HydrophobicContact CG2-CG2 4.35Å; I158-F163 HydrophobicContact CD1-CE2 4.28Å; I158-F163 HydrophobicContact CG2-CD2 4.21Å; I158-F163 HydrophobicContact CG2-CE2 3.67Å; I158-F163 HydrophobicContact CG2-CZ 4.09Å; I158-L179 HydrophobicContact CD1-CD2 4.34Å; I158-L179 HydrophobicContact CG1-CD2 4.24Å; I158-F184 HydrophobicContact CD1-CD1 3.96Å; I158-F184 HydrophobicContact CD1-CE1 3.74Å; I158-T188 HydrophobicContact CD1-CG2 4.07Å; I158-T188 HydrophobicContact CG2-CG2 4.07Å
159	P	96.3	Very high	97.5	Very high	36 Å²	36	45.5 Å²	45.5	23%	0.234	23%	0.233	C	C	.	.			trans	-57.7	146.9	-179.7	-23.1	32.3	0	0	0	111.5	E136 V137 G161 T162	E136-P159 HydrophobicContact CB-CG 4.35Å; V137-P159 WeakPolarHBondContact O-CD 3.26Å; P159-G161 PolarHBondContact O-N 3.44Å; P159-T162 WeakPolarHBondContact CB-OG1 3.47Å; P159-T162 WeakPolarHBondContact O-CB 3.32Å; P159-T162 PolarHBondContact O-N 2.99Å; P159-T162 PolarHBondContact O-OG1 3.4Å
160	Q	94.8	Very high	97.5	Very high	156 Å²	156	45.9 Å²	45.9	73%	0.729	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	132	-177.6	179.2	169.6	10.3	0	0	111.2	T162 Q185	Q160-T162 PolarHBondContact O-N 3.01Å; Q160-Q185 VanDerWaalsContact CG-OE1 3.25Å
161	G	94.4	Very high	97.5	Very high	39 Å²	39	46.9 Å²	46.9	40%	0.402	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	74.6	5.6	176	0	0	0	0	0	115.6	P159 F163 S164	P159-G161 PolarHBondContact O-N 3.44Å; G161-F163 PolarHBondContact O-N 3.44Å; G161-F163 VanDerWaalsContact O-N 3.15Å; G161-S164 VanDerWaalsContact CA-OG 3.26Å; G161-S164 WeakPolarHBondContact CA-OG 3.28Å; G161-S164 WeakPolarHBondContact O-CB 3.18Å; G161-S164 PolarHBondContact O-N 2.94Å; G161-S164 PolarHBondContact O-OG 3.36Å
162	T	96.1	Very high	97.5	Very high	9 Å²	9	46.9 Å²	46.9	6%	0.055	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	-38.5	178.2	-61.2	0	0	0	0	112.6	V137 S139 L141 P159 Q160	V137-T162 HydrophobicContact CB-CG2 4.32Å; V137-T162 HydrophobicContact CG1-CG2 3.67Å; S139-T162 WeakPolarHBondContact CB-OG1 3.45Å; S139-T162 PolarHBondContact OG-OG1 2.73Å; L141-T162 HydrophobicContact CD1-CG2 3.99Å; P159-T162 WeakPolarHBondContact CB-OG1 3.47Å; P159-T162 WeakPolarHBondContact O-CB 3.32Å; P159-T162 PolarHBondContact O-N 2.99Å; P159-T162 PolarHBondContact O-OG1 3.4Å; Q160-T162 PolarHBondContact O-N 3.01Å
163	F	97.5	Very high	97.5	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.009	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	2.1	-177.8	-58.3	-36.3	0	0	0	114.5	V137 L141 L148 I158 G161 N165 L166 L172 T188 F189 G191 L192	V137-F163 HydrophobicContact CG1-CE1 3.88Å; V137-F163 HydrophobicContact CG1-CZ 3.98Å; V137-F163 HydrophobicContact CG2-CZ 4.31Å; L141-F163 HydrophobicContact CD1-CE1 4.48Å; L148-F163 HydrophobicContact CD2-CE1 4.38Å; I158-F163 HydrophobicContact CD1-CE2 4.28Å; I158-F163 HydrophobicContact CG2-CD2 4.21Å; I158-F163 HydrophobicContact CG2-CE2 3.67Å; I158-F163 HydrophobicContact CG2-CZ 4.09Å; G161-F163 PolarHBondContact O-N 3.44Å; G161-F163 VanDerWaalsContact O-N 3.15Å; F163-N165 PolarHBondContact O-N 3.35Å; F163-N165 VanDerWaalsContact O-N 3.09Å; F163-L166 HydrophobicContact CD1-CD1 3.83Å; F163-L166 PolarHBondContact O-N 3.01Å; F163-L172 HydrophobicContact CE1-CD2 4.25Å; F163-L172 HydrophobicContact CE2-CD2 3.87Å; F163-L172 HydrophobicContact CZ-CD1 4.34Å; F163-L172 HydrophobicContact CZ-CD2 3.68Å; F163-T188 WeakPolarHBondContact CB-O 3.46Å; F163-T188 HydrophobicContact CD2-CG2 4.05Å; F163-T188 WeakPolarHBondContact CD2-O 3.32Å; F163-T188 HydrophobicContact CE2-CG2 4.23Å; F163-F189 HydrophobicContact CD2-CD1 4.22Å; F163-F189 HydrophobicContact CD2-CE1 4.49Å; F163-F189 HydrophobicContact CE2-CD1 4.44Å; F163-F189 HydrophobicContact CE2-CE1 4.27Å; F163-G191 WeakPolarHBondContact O-CA 3.27Å; F163-L192 HydrophobicContact CB-CD1 4.27Å; F163-L192 HydrophobicContact CB-CD2 3.73Å; F163-L192 HydrophobicContact CB-CG 3.92Å; F163-L192 HydrophobicContact CD2-CD1 4.24Å; F163-L192 HydrophobicContact CG-CD1 4.24Å; F163-L192 HydrophobicContact CG-CD2 4.2Å; F163-L192 HydrophobicContact CG-CG 4.41Å
164	S	94.9	Very high	97.5	Very high	57 Å²	57	42.8 Å²	42.8	40%	0.399	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.8	-26.5	-170	-70.4	0	0	0	0	114.6	G161 G191	G161-S164 VanDerWaalsContact CA-OG 3.26Å; G161-S164 WeakPolarHBondContact CA-OG 3.28Å; G161-S164 WeakPolarHBondContact O-CB 3.18Å; G161-S164 PolarHBondContact O-N 2.94Å; G161-S164 PolarHBondContact O-OG 3.36Å; S164-G191 WeakPolarHBondContact O-CA 3.32Å
165	N	94.7	Very high	97.5	Very high	84 Å²	84	41.9 Å²	41.9	45%	0.449	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-121.3	16.4	-175.3	-59.4	-59	0	0	0	113.3	R143 F163 E167	R143-N165 HydrophobicContact CG-CB 3.97Å; F163-N165 PolarHBondContact O-N 3.35Å; F163-N165 VanDerWaalsContact O-N 3.09Å; N165-E167 VanDerWaalsContact C-N 3.29Å; N165-E167 PolarHBondContact O-N 3.37Å
166	L	98	Very high	97.5	Very high	3 Å²	3	46.4 Å²	46.4	2%	0.016	25%	0.245	C	C	.	.			trans	-94.3	58.6	179.9	-55.7	-171.6	0	0	0	110.4	L141 P142 F163 N168 L169 L192	L141-L166 HydrophobicContact CB-CD1 4.21Å; L141-L166 HydrophobicContact CB-CD2 4.12Å; L141-L166 HydrophobicContact CD1-CD1 3.83Å; P142-L166 WeakPolarHBondContact O-CD2 3.48Å; F163-L166 HydrophobicContact CD1-CD1 3.83Å; F163-L166 PolarHBondContact O-N 3.01Å; L166-N168 PolarHBondContact O-N 3Å; L166-L169 HydrophobicContact CB-CB 4.1Å; L166-L169 HydrophobicContact CD1-CD2 4.35Å; L166-L169 WeakPolarHBondContact O-CB 3.5Å; L166-L169 PolarHBondContact O-N 3.25Å; L166-L192 HydrophobicContact CB-CD2 3.78Å
167	E	97.9	Very high	97.6	Very high	80 Å²	80	45 Å²	45	37%	0.374	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-28.8	-174	-57.3	-164.6	-177.5	0	0	112.4	N165 L169 G191 K193 N194	N165-E167 VanDerWaalsContact C-N 3.29Å; N165-E167 PolarHBondContact O-N 3.37Å; E167-L169 VanDerWaalsContact C-N 3.33Å; E167-G191 WeakPolarHBondContact CA-O 3.38Å; E167-K193 HydrophobicContact CG-CD 4.23Å; E167-K193 WeakPolarHBondContact OE1-CE 3.33Å; E167-K193 IonicContact OE1-NZ 2.97Å; E167-K193 PolarHBondContact OE1-NZ 3.1Å; E167-K193 IonicContact OE2-NZ 2.78Å; E167-K193 PolarHBondContact OE2-NZ 3.25Å; E167-N194 VanDerWaalsContact O-CB 3.31Å; E167-N194 WeakPolarHBondContact O-CB 3.27Å; E167-N194 PolarHBondContact O-N 3.17Å; E167-N194 PolarHBondContact O-ND2 3.21Å
168	N	98.5	Very high	97.6	Very high	80 Å²	80	43.7 Å²	43.7	43%	0.428	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	-8.5	-179.4	-67.5	-0.4	0	0	0	113.5	L145 E146 L166 T170	L145-N168 CarbonylContact O-C 3.51Å; L145-N168 VanDerWaalsContact O-C 3.25Å; E146-N168 WeakPolarHBondContact CA-O 3.11Å; E146-N168 HydrophobicContact CG-CB 4.43Å; L166-N168 PolarHBondContact O-N 3Å; N168-T170 PolarHBondContact O-N 2.83Å
169	L	98.8	Very high	97.6	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.229	C	C	.	.			trans	-68.2	121	-174.7	-161.8	77.2	0	0	0	109.9	L145 L148 L166 E167 L172 L192 N194 L195	L145-L169 HydrophobicContact CB-CD1 3.93Å; L145-L169 WeakPolarHBondContact O-CA 3.17Å; L145-L169 PolarHBondContact O-N 2.94Å; L145-L169 VanDerWaalsContact O-N 3.12Å; L148-L169 HydrophobicContact CB-CD1 3.98Å; L166-L169 HydrophobicContact CB-CB 4.1Å; L166-L169 HydrophobicContact CD1-CD2 4.35Å; L166-L169 WeakPolarHBondContact O-CB 3.5Å; L166-L169 PolarHBondContact O-N 3.25Å; E167-L169 VanDerWaalsContact C-N 3.33Å; L169-L172 HydrophobicContact CD2-CB 4.08Å; L169-L192 HydrophobicContact CB-CD2 4.09Å; L169-L192 HydrophobicContact CD2-CD1 4.5Å; L169-L192 HydrophobicContact CD2-CD2 3.75Å; L169-N194 CarbonylContact O-C 3.52Å; L169-L195 HydrophobicContact CD2-CD1 4.17Å; L169-L195 HydrophobicContact CG-CD1 4.27Å; L169-L195 WeakPolarHBondContact O-CA 3.41Å; L169-L195 PolarHBondContact O-N 3.46Å; L169-L195 VanDerWaalsContact O-N 3.07Å
170	T	98.9	Very high	97.7	Very high	41 Å²	41	45.3 Å²	45.3	25%	0.252	24%	0.239	S	C	.	.			trans	-105.1	-28.9	179.9	61.2	0	0	0	0	112.1	E146 N168 M196 Q197	E146-T170 PolarHBondContact O-N 3.2Å; E146-T170 PolarHBondContact O-OG1 3.2Å; N168-T170 PolarHBondContact O-N 2.83Å; T170-M196 PolarHBondContact O-N 3.08Å; T170-Q197 PolarHBondContact O-N 3.36Å
171	L	98.9	Very high	97.9	Very high	21 Å²	21	40.3 Å²	40.3	11%	0.11	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	127.6	179.8	-174.3	155.2	0	0	0	111	E146 Q147 L148 Q149 D173 Q197	E146-L171 PolarHBondContact O-N 3.01Å; Q147-L171 HydrophobicContact CB-CB 4.36Å; Q147-L171 HydrophobicContact CG-CB 4.01Å; L148-L171 PolarHBondContact N-O 3.5Å; Q149-L171 HydrophobicContact CG-CD2 4.1Å; L171-D173 HydrophobicContact CD2-CB 4.15Å; L171-Q197 HydrophobicContact CG-CB 4.34Å; L171-Q197 HydrophobicContact CG-CG 4.42Å
172	L	98.9	Very high	98	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	115	170	177	57.5	0	0	0	109.3	L148 F163 L169 L174 F189 L192 L195 Q197 L198 N199	L148-L172 HydrophobicContact CB-CD1 4.15Å; L148-L172 HydrophobicContact CD2-CD1 3.89Å; L148-L172 HydrophobicContact CG-CD1 4.1Å; F163-L172 HydrophobicContact CE1-CD2 4.25Å; F163-L172 HydrophobicContact CE2-CD2 3.87Å; F163-L172 HydrophobicContact CZ-CD1 4.34Å; F163-L172 HydrophobicContact CZ-CD2 3.68Å; L169-L172 HydrophobicContact CD2-CB 4.08Å; L172-L174 HydrophobicContact CD1-CD1 4.31Å; L172-L174 HydrophobicContact CD1-CG 4.13Å; L172-L174 HydrophobicContact CD2-CD1 3.96Å; L172-L174 HydrophobicContact CG-CD1 4.03Å; L172-L174 HydrophobicContact CG-CG 4.17Å; L172-F189 HydrophobicContact CD2-CE1 4.43Å; L172-L192 HydrophobicContact CD2-CD1 4.23Å; L172-L195 HydrophobicContact CB-CD1 3.92Å; L172-Q197 PolarHBondContact N-O 3.35Å; L172-L198 HydrophobicContact CB-CD1 3.96Å; L172-L198 HydrophobicContact CD2-CD1 3.83Å; L172-L198 HydrophobicContact CG-CD1 3.91Å; L172-N199 PolarHBondContact O-N 2.97Å
173	D	98.9	Very high	98	Very high	15 Å²	15	44.8 Å²	44.8	8%	0.08	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	115.4	175.2	-159.4	-27.5	0	0	0	111.4	L148 Q149 L150 L171 Q175 N199	L148-D173 PolarHBondContact O-N 3.37Å; Q149-D173 HydrophobicContact CG-CB 4.47Å; L150-D173 CarbonylContact C-O 3.28Å; L150-D173 WeakPolarHBondContact CA-O 3.41Å; L150-D173 WeakPolarHBondContact CB-O 3.32Å; L150-D173 PolarHBondContact N-O 2.83Å; L171-D173 HydrophobicContact CD2-CB 4.15Å; D173-Q175 WeakPolarHBondContact OD1-CB 3.11Å; D173-Q175 PolarHBondContact OD1-N 3.31Å; D173-N199 HydrophobicContact CB-CB 4.45Å; D173-N199 PolarHBondContact OD1-ND2 3.5Å; D173-N199 PolarHBondContact OD2-ND2 3.42Å
174	L	98.9	Very high	97.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.237	C	C	.	.			trans	-121.4	20.3	176.3	-69.8	164.5	0	0	0	111	V137 L150 L172 N177 L179 N199 M200 N203	V137-L174 HydrophobicContact CG2-CD2 4.01Å; L150-L174 HydrophobicContact CB-CD2 4.04Å; L150-L174 HydrophobicContact CD1-CD2 3.93Å; L172-L174 HydrophobicContact CD1-CD1 4.31Å; L172-L174 HydrophobicContact CD1-CG 4.13Å; L172-L174 HydrophobicContact CD2-CD1 3.96Å; L172-L174 HydrophobicContact CG-CD1 4.03Å; L172-L174 HydrophobicContact CG-CG 4.17Å; L174-N177 PolarHBondContact O-ND2 3.22Å; L174-L179 HydrophobicContact CB-CD1 3.97Å; L174-L179 HydrophobicContact CD1-CD1 4.11Å; L174-L179 HydrophobicContact CG-CD1 4.5Å; L174-N199 CarbonylContact C-O 3.6Å; L174-N199 WeakPolarHBondContact CA-O 3.16Å; L174-N199 PolarHBondContact N-O 3.1Å; L174-M200 HydrophobicContact CB-CG 4.16Å; L174-M200 HydrophobicContact CD1-CG 4.37Å; L174-N203 PolarHBondContact O-ND2 2.82Å
175	Q	98.9	Very high	97.8	Very high	53 Å²	53	47 Å²	47	25%	0.248	24%	0.237	C	C	.	.			trans	-59.8	145.2	-179	-179.7	178.5	3.3	0	0	112.2	A151 R152 D173 N177 N199 A201	A151-Q175 CarbonylContact C-O 3.43Å; A151-Q175 WeakPolarHBondContact CA-O 3.41Å; A151-Q175 HydrophobicContact CB-CB 4.15Å; R152-Q175 PolarHBondContact N-O 3.45Å; D173-Q175 WeakPolarHBondContact OD1-CB 3.11Å; D173-Q175 PolarHBondContact OD1-N 3.31Å; Q175-N177 PolarHBondContact O-ND2 2.74Å; Q175-N199 PolarHBondContact N-O 3.21Å; Q175-N199 PolarHBondContact OE1-ND2 3.16Å; Q175-A201 CarbonylContact C-O 3.47Å; Q175-A201 WeakPolarHBondContact CA-O 3.24Å; Q175-A201 HydrophobicContact CG-CB 4.14Å; Q175-A201 WeakPolarHBondContact CG-O 3.32Å
176	H	98.9	Very high	97.4	Very high	96 Å²	96	51.4 Å²	51.4	44%	0.444	25%	0.247	S	C	.	.	S	Bend	trans	58.1	59.9	174.8	-156.9	115.5	0	0	0	111.2	R152 N153 A201 K202	R152-H176 WeakPolarHBondContact CA-O 3.27Å; R152-H176 HydrophobicContact CG-CB 3.87Å; R152-H176 PolarHBondContact N-O 2.83Å; N153-H176 PolarHBondContact N-O 2.97Å; H176-A201 PolarHBondContact N-O 3.23Å; H176-K202 WeakPolarHBondContact CA-O 3.2Å; H176-K202 HydrophobicContact CB-CB 4.14Å; H176-K202 PolarHBondContact N-O 3.26Å
177	N	98.9	Very high	97.1	Very high	13 Å²	13	54.8 Å²	54.8	7%	0.07	27%	0.265	C	S	.	.	S	Bend	trans	-129.7	-164.8	176.7	-87.3	-69.4	0	0	0	109.2	L150 N153 K154 V155 L174 Q175 L179 K202 N203	L150-N177 PolarHBondContact O-ND2 3.47Å; N153-N177 VanDerWaalsContact CA-OD1 3.3Å; N153-N177 WeakPolarHBondContact CA-OD1 3.5Å; N153-N177 WeakPolarHBondContact CB-OD1 3.36Å; N153-N177 PolarHBondContact N-OD1 3.01Å; N153-N177 PolarHBondContact O-OD1 2.77Å; K154-N177 PolarHBondContact N-OD1 2.81Å; V155-N177 HydrophobicContact CB-CB 4.13Å; V155-N177 VanDerWaalsContact CB-OD1 3.25Å; V155-N177 WeakPolarHBondContact CB-OD1 3.4Å; V155-N177 WeakPolarHBondContact CG2-OD1 3.27Å; V155-N177 PolarHBondContact N-OD1 3.38Å; L174-N177 PolarHBondContact O-ND2 3.22Å; Q175-N177 PolarHBondContact O-ND2 2.74Å; N177-L179 HydrophobicContact CB-CG 4.49Å; N177-K202 PolarHBondContact N-O 3.33Å; N177-N203 WeakPolarHBondContact CA-OD1 3.48Å; N177-N203 WeakPolarHBondContact CB-OD1 3.39Å; N177-N203 PolarHBondContact N-OD1 2.75Å; N177-N203 PolarHBondContact O-OD1 2.59Å
178	K	98.7	Very high	97	Very high	120 Å²	120	51.7 Å²	51.7	52%	0.522	25%	0.251	S	S	.	.			trans	-116.2	30.9	-178	-60.9	-176.2	179.3	179.2	0	111.8	K154 V155 L180 N203	K154-K178 HydrophobicContact CB-CD 4.32Å; V155-K178 CarbonylContact O-C 3.19Å; V155-K178 VanDerWaalsContact O-CA 3.32Å; V155-K178 WeakPolarHBondContact O-CA 3.22Å; V155-K178 PolarHBondContact O-N 3.25Å; K178-L180 PolarHBondContact O-N 3.39Å; K178-N203 PolarHBondContact N-OD1 2.99Å
179	L	98.7	Very high	96.9	Very high	0 Å²	0	48.1 Å²	48.1	0%	0	23%	0.232	C	C	.	.			trans	-67.3	133.5	-178.7	-63.8	170.5	0	0	0	110.6	V155 I158 L174 N177 A183 F184 M200 N203 A204 L205	V155-L179 HydrophobicContact CG1-CD2 4.08Å; V155-L179 PolarHBondContact O-N 2.89Å; I158-L179 HydrophobicContact CD1-CD2 4.34Å; I158-L179 HydrophobicContact CG1-CD2 4.24Å; L174-L179 HydrophobicContact CB-CD1 3.97Å; L174-L179 HydrophobicContact CD1-CD1 4.11Å; L174-L179 HydrophobicContact CG-CD1 4.5Å; N177-L179 HydrophobicContact CB-CG 4.49Å; L179-A183 HydrophobicContact CD2-CB 3.8Å; L179-F184 HydrophobicContact CB-CZ 4.38Å; L179-F184 HydrophobicContact CD1-CZ 4.22Å; L179-M200 HydrophobicContact CD1-CG 4.47Å; L179-N203 HydrophobicContact CB-CB 4.11Å; L179-N203 VanDerWaalsContact CB-OD1 3.31Å; L179-N203 WeakPolarHBondContact CB-OD1 3.36Å; L179-N203 WeakPolarHBondContact CG-OD1 3.4Å; L179-N203 PolarHBondContact N-OD1 2.88Å; L179-A204 CarbonylContact O-C 3.35Å; L179-A204 WeakPolarHBondContact O-CA 3.34Å; L179-A204 PolarHBondContact O-N 3.44Å; L179-L205 HydrophobicContact CB-CD2 4.09Å
180	L	98.4	Very high	96.6	Very high	83 Å²	83	55.4 Å²	55.4	44%	0.435	26%	0.264	S	S	.	.			trans	-118.3	166.7	171.8	-67	168.6	0	0	0	108.4	K178 N182 A183 F184 A204	K178-L180 PolarHBondContact O-N 3.39Å; L180-N182 WeakPolarHBondContact CB-OD1 3.37Å; L180-N182 PolarHBondContact O-N 2.83Å; L180-N182 VanDerWaalsContact O-N 3.13Å; L180-A183 WeakPolarHBondContact O-CB 3.21Å; L180-A183 PolarHBondContact O-N 3.35Å; L180-F184 WeakPolarHBondContact O-CE2 3.39Å; L180-A204 HydrophobicContact CD2-CB 3.62Å
181	D	97.6	Very high	96.5	Very high	51 Å²	51	53.7 Å²	53.7	27%	0.273	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-58.3	-31.2	-177.3	-56.8	-22.6	0	0	0	113.3	A183 F184 R206 N207	D181-A183 PolarHBondContact O-N 3.47Å; D181-F184 WeakPolarHBondContact O-CD2 3.11Å; D181-F184 PolarHBondContact O-N 3.5Å; D181-R206 PolarHBondContact OD1-N 3.42Å; D181-R206 WeakPolarHBondContact OD2-CB 3.16Å; D181-N207 PolarHBondContact OD1-N 3.32Å; D181-N207 VanDerWaalsContact OD1-N 3.15Å; D181-N207 PolarHBondContact OD2-ND2 3.36Å
182	N	96.3	Very high	96.4	Very high	135 Å²	135	52.8 Å²	52.8	72%	0.722	25%	0.25	S	C	*	.	G	3₁₀ helix	trans	-75.1	-6.9	178.2	69.6	-16.4	0	0	0	114	L180 F184	L180-N182 WeakPolarHBondContact CB-OD1 3.37Å; L180-N182 PolarHBondContact O-N 2.83Å; L180-N182 VanDerWaalsContact O-N 3.13Å; N182-F184 PolarHBondContact O-N 3.29Å
183	A	96.8	Very high	96.3	Very high	7 Å²	7	58 Å²	58	6%	0.058	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-69.4	-19.3	172.2	0	0	0	0	0	111.9	S156 L179 L180 D181	S156-A183 WeakPolarHBondContact O-CB 3.45Å; L179-A183 HydrophobicContact CD2-CB 3.8Å; L180-A183 WeakPolarHBondContact O-CB 3.21Å; L180-A183 PolarHBondContact O-N 3.35Å; D181-A183 PolarHBondContact O-N 3.47Å
184	F	96	Very high	96.3	Very high	21 Å²	21	60.9 Å²	60.9	9%	0.092	29%	0.288	C	S	.	.			trans	-102.5	127.5	-178.7	-47.1	-79.1	0	0	0	111.3	I158 L179 L180 D181 N182 T188 F189 M200 L205 P210	I158-F184 HydrophobicContact CD1-CD1 3.96Å; I158-F184 HydrophobicContact CD1-CE1 3.74Å; L179-F184 HydrophobicContact CB-CZ 4.38Å; L179-F184 HydrophobicContact CD1-CZ 4.22Å; L180-F184 WeakPolarHBondContact O-CE2 3.39Å; D181-F184 WeakPolarHBondContact O-CD2 3.11Å; D181-F184 PolarHBondContact O-N 3.5Å; N182-F184 PolarHBondContact O-N 3.29Å; F184-T188 HydrophobicContact CD1-CG2 4.3Å; F184-F189 AromaticContact CD1-CE2 3.8Å; F184-F189 HydrophobicContact CD1-CE2 3.8Å; F184-F189 AromaticContact CD1-CZ 3.67Å; F184-F189 HydrophobicContact CD1-CZ 3.67Å; F184-F189 HydrophobicContact CE1-CE2 4.18Å; F184-F189 AromaticContact CE1-CZ 3.67Å; F184-F189 HydrophobicContact CE1-CZ 3.67Å; F184-M200 HydrophobicContact CE1-SD 3.83Å; F184-M200 HydrophobicContact CZ-SD 3.86Å; F184-L205 HydrophobicContact CE2-CD2 3.49Å; F184-L205 VanDerWaalsContact CE2-CD2 3.49Å; F184-L205 HydrophobicContact CZ-CD1 4.5Å; F184-L205 HydrophobicContact CZ-CD2 3.98Å; F184-P210 HydrophobicContact CB-CG 3.94Å
185	Q	92.3	Very high	96.3	Very high	85 Å²	85	60.9 Å²	60.9	40%	0.397	29%	0.288	S	S	.	.			trans	-89.5	161.9	162.9	-61.5	-179.1	-18.6	0	0	109	Q160 D187 T188	Q160-Q185 VanDerWaalsContact CG-OE1 3.25Å; Q185-D187 PolarHBondContact O-N 3.38Å; Q185-T188 PolarHBondContact N-OG1 2.86Å; Q185-T188 WeakPolarHBondContact O-CB 3.43Å; Q185-T188 PolarHBondContact O-N 3.22Å; Q185-T188 VanDerWaalsContact O-N 3.11Å; Q185-T188 PolarHBondContact O-OG1 2.81Å; Q185-T188 VanDerWaalsContact O-OG1 3.12Å
186	R	87.4	Confident	96.3	Very high	176 Å²	176	62.5 Å²	62.5	66%	0.664	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.3	-36.2	-179.9	177.4	-179.7	-89	-149.7	-0.2	113.3	R211	R186-R211 VanDerWaalsContact CD-CZ 3.41Å; R186-R211 VanDerWaalsContact CD-NH1 3.34Å; R186-R211 VanDerWaalsContact O-CD 3.3Å; R186-R211 WeakPolarHBondContact O-CD 3.39Å
187	D	90.1	Very high	96.3	Very high	74 Å²	74	60 Å²	60	40%	0.396	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.7	20.3	-175.7	-68.9	-10.1	0	0	0	113	Q185 F189 K190 R211	Q185-D187 PolarHBondContact O-N 3.38Å; D187-F189 VanDerWaalsContact C-N 3.25Å; D187-F189 PolarHBondContact O-N 3.02Å; D187-F189 VanDerWaalsContact O-N 3.16Å; D187-K190 HydrophobicContact CB-CB 4.08Å; D187-K190 HydrophobicContact CB-CD 4.07Å; D187-K190 VanDerWaalsContact O-CB 3.32Å; D187-K190 WeakPolarHBondContact O-CB 3.41Å; D187-K190 PolarHBondContact O-N 3.05Å; D187-K190 VanDerWaalsContact O-N 3.12Å; D187-K190 IonicContact OD2-NZ 2.79Å; D187-R211 IonicContact OD1-NH1 3.9Å; D187-R211 PolarHBondContact OD1-NH1 3.2Å
188	T	95.8	Very high	96.3	Very high	15 Å²	15	59.3 Å²	59.3	9%	0.092	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.9	-42.8	-177.4	-73.2	0	0	0	0	112.9	I158 F163 F184 Q185	I158-T188 HydrophobicContact CD1-CG2 4.07Å; I158-T188 HydrophobicContact CG2-CG2 4.07Å; F163-T188 WeakPolarHBondContact CB-O 3.46Å; F163-T188 HydrophobicContact CD2-CG2 4.05Å; F163-T188 WeakPolarHBondContact CD2-O 3.32Å; F163-T188 HydrophobicContact CE2-CG2 4.23Å; F184-T188 HydrophobicContact CD1-CG2 4.3Å; Q185-T188 PolarHBondContact N-OG1 2.86Å; Q185-T188 WeakPolarHBondContact O-CB 3.43Å; Q185-T188 PolarHBondContact O-N 3.22Å; Q185-T188 VanDerWaalsContact O-N 3.11Å; Q185-T188 PolarHBondContact O-OG1 2.81Å; Q185-T188 VanDerWaalsContact O-OG1 3.12Å
189	F	96.7	Very high	96.3	Very high	4 Å²	4	54 Å²	54	2%	0.018	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-99.1	6	-175.7	-54.6	-68.5	0	0	0	114.4	F163 L172 F184 D187 G191 L192 L198 M200 P209 L212 P213	F163-F189 HydrophobicContact CD2-CD1 4.22Å; F163-F189 HydrophobicContact CD2-CE1 4.49Å; F163-F189 HydrophobicContact CE2-CD1 4.44Å; F163-F189 HydrophobicContact CE2-CE1 4.27Å; L172-F189 HydrophobicContact CD2-CE1 4.43Å; F184-F189 AromaticContact CD1-CE2 3.8Å; F184-F189 HydrophobicContact CD1-CE2 3.8Å; F184-F189 AromaticContact CD1-CZ 3.67Å; F184-F189 HydrophobicContact CD1-CZ 3.67Å; F184-F189 HydrophobicContact CE1-CE2 4.18Å; F184-F189 AromaticContact CE1-CZ 3.67Å; F184-F189 HydrophobicContact CE1-CZ 3.67Å; D187-F189 VanDerWaalsContact C-N 3.25Å; D187-F189 PolarHBondContact O-N 3.02Å; D187-F189 VanDerWaalsContact O-N 3.16Å; F189-G191 VanDerWaalsContact C-N 3.26Å; F189-G191 PolarHBondContact O-N 3.04Å; F189-G191 VanDerWaalsContact O-N 3.13Å; F189-L192 HydrophobicContact CB-CD1 4.3Å; F189-L192 HydrophobicContact CD1-CD1 3.77Å; F189-L192 WeakPolarHBondContact O-CB 3.48Å; F189-L192 PolarHBondContact O-N 3.12Å; F189-L198 HydrophobicContact CE1-CD2 4.27Å; F189-L198 HydrophobicContact CZ-CD2 4.27Å; F189-M200 HydrophobicContact CZ-SD 4.17Å; F189-P209 HydrophobicContact CE2-CB 4.29Å; F189-L212 HydrophobicContact CD2-CD2 3.87Å; F189-L212 HydrophobicContact CE2-CD2 3.83Å; F189-L212 HydrophobicContact CZ-CD2 4.43Å; F189-P213 HydrophobicContact CB-CG 3.93Å
190	K	93.2	Very high	96.3	Very high	153 Å²	153	54 Å²	54	67%	0.665	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	-33.2	-169.7	-177	178.6	179.3	-179.9	0	114.2	D187	D187-K190 HydrophobicContact CB-CB 4.08Å; D187-K190 HydrophobicContact CB-CD 4.07Å; D187-K190 VanDerWaalsContact O-CB 3.32Å; D187-K190 WeakPolarHBondContact O-CB 3.41Å; D187-K190 PolarHBondContact O-N 3.05Å; D187-K190 VanDerWaalsContact O-N 3.12Å; D187-K190 IonicContact OD2-NZ 2.79Å
191	G	95.5	Very high	96.3	Very high	6 Å²	6	50.2 Å²	50.2	6%	0.062	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-11.7	-179.2	0	0	0	0	0	115	F163 S164 E167 F189 K193	F163-G191 WeakPolarHBondContact O-CA 3.27Å; S164-G191 WeakPolarHBondContact O-CA 3.32Å; E167-G191 WeakPolarHBondContact CA-O 3.38Å; F189-G191 VanDerWaalsContact C-N 3.26Å; F189-G191 PolarHBondContact O-N 3.04Å; F189-G191 VanDerWaalsContact O-N 3.13Å; G191-K193 VanDerWaalsContact C-N 3.25Å; G191-K193 PolarHBondContact O-N 3.24Å
192	L	98.1	Very high	96.4	Very high	1 Å²	1	52.4 Å²	52.4	1%	0.005	25%	0.246	C	C	.	.			trans	-84.7	59.8	-171.8	-57.3	-174.8	0	0	0	112.3	F163 L166 L169 L172 F189 N194 L195 P213	F163-L192 HydrophobicContact CB-CD1 4.27Å; F163-L192 HydrophobicContact CB-CD2 3.73Å; F163-L192 HydrophobicContact CB-CG 3.92Å; F163-L192 HydrophobicContact CD2-CD1 4.24Å; F163-L192 HydrophobicContact CG-CD1 4.24Å; F163-L192 HydrophobicContact CG-CD2 4.2Å; F163-L192 HydrophobicContact CG-CG 4.41Å; L166-L192 HydrophobicContact CB-CD2 3.78Å; L169-L192 HydrophobicContact CB-CD2 4.09Å; L169-L192 HydrophobicContact CD2-CD1 4.5Å; L169-L192 HydrophobicContact CD2-CD2 3.75Å; L172-L192 HydrophobicContact CD2-CD1 4.23Å; F189-L192 HydrophobicContact CB-CD1 4.3Å; F189-L192 HydrophobicContact CD1-CD1 3.77Å; F189-L192 WeakPolarHBondContact O-CB 3.48Å; F189-L192 PolarHBondContact O-N 3.12Å; L192-N194 VanDerWaalsContact C-N 3.29Å; L192-N194 PolarHBondContact O-N 2.64Å; L192-L195 HydrophobicContact CB-CB 3.96Å; L192-L195 HydrophobicContact CB-CD2 4.45Å; L192-L195 HydrophobicContact CD1-CD1 4.42Å; L192-L195 HydrophobicContact CD1-CD2 3.87Å; L192-L195 PolarHBondContact O-N 3.37Å; L192-P213 HydrophobicContact CB-CG 3.85Å; L192-P213 VanDerWaalsContact O-CB 3.3Å; L192-P213 WeakPolarHBondContact O-CB 3.37Å
193	K	96.9	Very high	96.5	Very high	110 Å²	110	46.7 Å²	46.7	48%	0.478	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-32.3	-170.3	-64.1	-179.6	-169.1	162.6	0	113.9	E167 G191 N215	E167-K193 HydrophobicContact CG-CD 4.23Å; E167-K193 WeakPolarHBondContact OE1-CE 3.33Å; E167-K193 IonicContact OE1-NZ 2.97Å; E167-K193 PolarHBondContact OE1-NZ 3.1Å; E167-K193 IonicContact OE2-NZ 2.78Å; E167-K193 PolarHBondContact OE2-NZ 3.25Å; G191-K193 VanDerWaalsContact C-N 3.25Å; G191-K193 PolarHBondContact O-N 3.24Å; K193-N215 PolarHBondContact O-ND2 3.26Å
194	N	98.3	Very high	96.6	Very high	76 Å²	76	48.4 Å²	48.4	41%	0.406	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.9	14.7	-178.5	-64.7	-56.6	0	0	0	113.8	E167 L169 L192 M196	E167-N194 VanDerWaalsContact O-CB 3.31Å; E167-N194 WeakPolarHBondContact O-CB 3.27Å; E167-N194 PolarHBondContact O-N 3.17Å; E167-N194 PolarHBondContact O-ND2 3.21Å; L169-N194 CarbonylContact O-C 3.52Å; L192-N194 VanDerWaalsContact C-N 3.29Å; L192-N194 PolarHBondContact O-N 2.64Å; N194-M196 PolarHBondContact O-N 2.76Å
195	L	98.7	Very high	96.7	Very high	0 Å²	0	47.4 Å²	47.4	0%	0	23%	0.225	C	C	.	.			trans	-65.9	122.2	-178.7	-164.3	75.9	0	0	0	110.7	L169 L172 L192 L198 P213 N215 T216	L169-L195 HydrophobicContact CD2-CD1 4.17Å; L169-L195 HydrophobicContact CG-CD1 4.27Å; L169-L195 WeakPolarHBondContact O-CA 3.41Å; L169-L195 PolarHBondContact O-N 3.46Å; L169-L195 VanDerWaalsContact O-N 3.07Å; L172-L195 HydrophobicContact CB-CD1 3.92Å; L192-L195 HydrophobicContact CB-CB 3.96Å; L192-L195 HydrophobicContact CB-CD2 4.45Å; L192-L195 HydrophobicContact CD1-CD1 4.42Å; L192-L195 HydrophobicContact CD1-CD2 3.87Å; L192-L195 PolarHBondContact O-N 3.37Å; L195-L198 HydrophobicContact CD2-CB 4.02Å; L195-L198 HydrophobicContact CD2-CD1 4.4Å; L195-L198 HydrophobicContact CD2-CD2 4.47Å; L195-P213 HydrophobicContact CB-CB 4.2Å; L195-P213 HydrophobicContact CB-CG 4.05Å; L195-P213 HydrophobicContact CD2-CG 3.9Å; L195-N215 CarbonylContact O-C 3.19Å; L195-T216 WeakPolarHBondContact O-CA 3.33Å; L195-T216 PolarHBondContact O-N 2.9Å
196	M	98.8	Very high	97	Very high	87 Å²	87	50.6 Å²	50.6	43%	0.429	23%	0.234	S	C	.	.			trans	-106.3	-35	179.4	-65.5	175.3	69.4	0	0	111.3	T170 N194 M217 Q218	T170-M196 PolarHBondContact O-N 3.08Å; N194-M196 PolarHBondContact O-N 2.76Å; M196-M217 HydrophobicContact CE-CE 4.02Å; M196-M217 HydrophobicContact CE-SD 3.57Å; M196-M217 VanDerWaalsContact CE-SD 3.57Å; M196-M217 WeakPolarHBondContact O-CA 3.41Å; M196-M217 PolarHBondContact O-N 3.47Å; M196-Q218 PolarHBondContact O-N 3Å
197	Q	98.9	Very high	97.5	Very high	42 Å²	42	46.5 Å²	46.5	20%	0.196	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	126.1	-178	-179.5	175.7	-32.8	0	0	111.2	T170 L171 L172 Q218 F220	T170-Q197 PolarHBondContact O-N 3.36Å; L171-Q197 HydrophobicContact CG-CB 4.34Å; L171-Q197 HydrophobicContact CG-CG 4.42Å; L172-Q197 PolarHBondContact N-O 3.35Å; Q197-Q218 WeakPolarHBondContact CA-O 3.46Å; Q197-Q218 HydrophobicContact CB-CB 4.14Å; Q197-Q218 HydrophobicContact CG-CB 3.96Å; Q197-F220 HydrophobicContact CG-CE2 4.38Å
198	L	98.9	Very high	97.9	Very high	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	116.2	173.2	-178.6	58.8	0	0	0	110	L172 F189 L195 M200 L212 Q218 L219 F220	L172-L198 HydrophobicContact CB-CD1 3.96Å; L172-L198 HydrophobicContact CD2-CD1 3.83Å; L172-L198 HydrophobicContact CG-CD1 3.91Å; F189-L198 HydrophobicContact CE1-CD2 4.27Å; F189-L198 HydrophobicContact CZ-CD2 4.27Å; L195-L198 HydrophobicContact CD2-CB 4.02Å; L195-L198 HydrophobicContact CD2-CD1 4.4Å; L195-L198 HydrophobicContact CD2-CD2 4.47Å; L198-M200 HydrophobicContact CD1-CE 4.37Å; L198-M200 HydrophobicContact CD1-CG 4.15Å; L198-M200 HydrophobicContact CD1-SD 4.29Å; L198-M200 HydrophobicContact CD2-CE 3.44Å; L198-M200 VanDerWaalsContact CD2-CE 3.44Å; L198-M200 HydrophobicContact CD2-SD 4.22Å; L198-M200 HydrophobicContact CG-CE 3.77Å; L198-M200 HydrophobicContact CG-CG 4.28Å; L198-M200 HydrophobicContact CG-SD 4.32Å; L198-L212 HydrophobicContact CD2-CD2 3.43Å; L198-L212 VanDerWaalsContact CD2-CD2 3.43Å; L198-Q218 PolarHBondContact N-O 2.96Å; L198-L219 HydrophobicContact CB-CD1 4.35Å; L198-L219 HydrophobicContact CD2-CD1 4.31Å; L198-L219 HydrophobicContact CG-CD1 4.43Å; L198-F220 PolarHBondContact O-N 2.97Å
199	N	98.9	Very high	97.9	Very high	9 Å²	9	42.9 Å²	42.9	5%	0.048	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	114.5	177.4	-173.3	4	0	0	0	110	L172 D173 L174 Q175 A201 F220	L172-N199 PolarHBondContact O-N 2.97Å; D173-N199 HydrophobicContact CB-CB 4.45Å; D173-N199 PolarHBondContact OD1-ND2 3.5Å; D173-N199 PolarHBondContact OD2-ND2 3.42Å; L174-N199 CarbonylContact C-O 3.6Å; L174-N199 WeakPolarHBondContact CA-O 3.16Å; L174-N199 PolarHBondContact N-O 3.1Å; Q175-N199 PolarHBondContact N-O 3.21Å; Q175-N199 PolarHBondContact OE1-ND2 3.16Å; N199-A201 WeakPolarHBondContact OD1-CB 3.41Å; N199-A201 PolarHBondContact OD1-N 2.65Å; N199-F220 HydrophobicContact CB-CB 4.41Å; N199-F220 HydrophobicContact CB-CD2 4.09Å
200	M	98.8	Very high	97.7	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	22%	0.22	C	C	.	.			trans	-128.4	24.3	174.2	-66.7	178.5	-63.7	0	0	110.9	L174 L179 F184 F189 L198 N203 L205 P209 L219 F220 L221 N224	L174-M200 HydrophobicContact CB-CG 4.16Å; L174-M200 HydrophobicContact CD1-CG 4.37Å; L179-M200 HydrophobicContact CD1-CG 4.47Å; F184-M200 HydrophobicContact CE1-SD 3.83Å; F184-M200 HydrophobicContact CZ-SD 3.86Å; F189-M200 HydrophobicContact CZ-SD 4.17Å; L198-M200 HydrophobicContact CD1-CE 4.37Å; L198-M200 HydrophobicContact CD1-CG 4.15Å; L198-M200 HydrophobicContact CD1-SD 4.29Å; L198-M200 HydrophobicContact CD2-CE 3.44Å; L198-M200 VanDerWaalsContact CD2-CE 3.44Å; L198-M200 HydrophobicContact CD2-SD 4.22Å; L198-M200 HydrophobicContact CG-CE 3.77Å; L198-M200 HydrophobicContact CG-CG 4.28Å; L198-M200 HydrophobicContact CG-SD 4.32Å; M200-N203 PolarHBondContact O-ND2 2.81Å; M200-L205 HydrophobicContact CB-CD1 4.34Å; M200-P209 HydrophobicContact CE-CB 3.84Å; M200-P209 HydrophobicContact CE-CG 3.21Å; M200-P209 HydrophobicContact SD-CG 4.4Å; M200-L219 HydrophobicContact CE-CD1 4.48Å; M200-F220 CarbonylContact C-O 3.5Å; M200-F220 PolarHBondContact N-O 3.15Å; M200-L221 HydrophobicContact CB-CD2 4.07Å; M200-L221 HydrophobicContact CE-CD2 3.92Å; M200-N224 PolarHBondContact O-ND2 3.34Å; M200-N224 VanDerWaalsContact O-ND2 3.1Å
201	A	98.9	Very high	97.6	Very high	3 Å²	3	44 Å²	44	3%	0.025	21%	0.212	C	C	.	.			trans	-61.5	156.6	175.7	0	0	0	0	0	111.7	Q175 H176 N199 N203 F220 D222	Q175-A201 CarbonylContact C-O 3.47Å; Q175-A201 WeakPolarHBondContact CA-O 3.24Å; Q175-A201 HydrophobicContact CG-CB 4.14Å; Q175-A201 WeakPolarHBondContact CG-O 3.32Å; H176-A201 PolarHBondContact N-O 3.23Å; N199-A201 WeakPolarHBondContact OD1-CB 3.41Å; N199-A201 PolarHBondContact OD1-N 2.65Å; A201-N203 PolarHBondContact O-N 3.35Å; A201-N203 PolarHBondContact O-ND2 3.06Å; A201-F220 PolarHBondContact N-O 3.3Å; A201-D222 CarbonylContact C-O 3.15Å; A201-D222 WeakPolarHBondContact CA-O 2.95Å; A201-D222 HydrophobicContact CB-CB 3.95Å; A201-D222 WeakPolarHBondContact CB-O 3.42Å
202	K	98.9	Very high	97.6	Very high	96 Å²	96	44 Å²	44	42%	0.417	21%	0.21	S	C	.	.	S	Bend	trans	56.5	49	179	-58.7	-178.6	178.1	-177.3	0	112.2	H176 N177 D222 N223	H176-K202 WeakPolarHBondContact CA-O 3.2Å; H176-K202 HydrophobicContact CB-CB 4.14Å; H176-K202 PolarHBondContact N-O 3.26Å; N177-K202 PolarHBondContact N-O 3.33Å; K202-D222 PolarHBondContact N-O 3.13Å; K202-N223 VanDerWaalsContact CA-O 3.24Å; K202-N223 WeakPolarHBondContact CA-O 3.35Å; K202-N223 HydrophobicContact CB-CB 4.42Å; K202-N223 HydrophobicContact CG-CB 3.74Å; K202-N223 PolarHBondContact N-O 2.94Å
203	N	98.9	Very high	97.5	Very high	16 Å²	16	44.6 Å²	44.6	9%	0.086	21%	0.214	C	C	.	.	S	Bend	trans	-118.9	-162.9	170.5	-81.8	-80.2	0	0	0	108.9	L174 N177 K178 L179 M200 A201 L205 N223 N224	L174-N203 PolarHBondContact O-ND2 2.82Å; N177-N203 WeakPolarHBondContact CA-OD1 3.48Å; N177-N203 WeakPolarHBondContact CB-OD1 3.39Å; N177-N203 PolarHBondContact N-OD1 2.75Å; N177-N203 PolarHBondContact O-OD1 2.59Å; K178-N203 PolarHBondContact N-OD1 2.99Å; L179-N203 HydrophobicContact CB-CB 4.11Å; L179-N203 VanDerWaalsContact CB-OD1 3.31Å; L179-N203 WeakPolarHBondContact CB-OD1 3.36Å; L179-N203 WeakPolarHBondContact CG-OD1 3.4Å; L179-N203 PolarHBondContact N-OD1 2.88Å; M200-N203 PolarHBondContact O-ND2 2.81Å; A201-N203 PolarHBondContact O-N 3.35Å; A201-N203 PolarHBondContact O-ND2 3.06Å; N203-L205 HydrophobicContact CB-CG 4.23Å; N203-N223 PolarHBondContact N-O 3.4Å; N203-N224 WeakPolarHBondContact CA-OD1 3.26Å; N203-N224 VanDerWaalsContact CB-OD1 3.24Å; N203-N224 WeakPolarHBondContact CB-OD1 3.48Å; N203-N224 PolarHBondContact N-OD1 3.33Å; N203-N224 PolarHBondContact O-OD1 3.33Å
204	A	98.4	Very high	97.5	Very high	42 Å²	42	42 Å²	42	35%	0.347	21%	0.213	S	C	.	.			trans	-119.2	33.6	179.6	0	0	0	0	0	112.3	L179 L180 N224	L179-A204 CarbonylContact O-C 3.35Å; L179-A204 WeakPolarHBondContact O-CA 3.34Å; L179-A204 PolarHBondContact O-N 3.44Å; L180-A204 HydrophobicContact CD2-CB 3.62Å; A204-N224 PolarHBondContact N-OD1 3.49Å
205	L	98.8	Very high	97.5	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.			trans	-68.6	135.2	-179.2	-55.1	-176.5	0	0	0	111.1	L179 F184 M200 N203 P209 L221 N224 S225 I226	L179-L205 HydrophobicContact CB-CD2 4.09Å; F184-L205 HydrophobicContact CE2-CD2 3.49Å; F184-L205 VanDerWaalsContact CE2-CD2 3.49Å; F184-L205 HydrophobicContact CZ-CD1 4.5Å; F184-L205 HydrophobicContact CZ-CD2 3.98Å; M200-L205 HydrophobicContact CB-CD1 4.34Å; N203-L205 HydrophobicContact CB-CG 4.23Å; L205-P209 HydrophobicContact CD1-CG 4.37Å; L205-L221 HydrophobicContact CD1-CD2 3.98Å; L205-N224 HydrophobicContact CB-CB 4.17Å; L205-N224 WeakPolarHBondContact CB-OD1 3.15Å; L205-N224 VanDerWaalsContact CG-OD1 3.32Å; L205-N224 WeakPolarHBondContact CG-OD1 3.3Å; L205-N224 PolarHBondContact N-OD1 2.98Å; L205-S225 CarbonylContact O-C 3.25Å; L205-S225 VanDerWaalsContact O-CA 3.26Å; L205-S225 WeakPolarHBondContact O-CA 3.24Å; L205-S225 PolarHBondContact O-N 3.37Å; L205-I226 HydrophobicContact CB-CG1 4.3Å; L205-I226 PolarHBondContact O-N 3.34Å
206	R	98.4	Very high	97.5	Very high	152 Å²	152	40.6 Å²	40.6	57%	0.574	21%	0.206	S	C	*	.			trans	-105.8	-18.5	172.2	-60.1	-176.7	179.4	-171.2	-0.7	112.7	D181 S225 I226 E227	D181-R206 PolarHBondContact OD1-N 3.42Å; D181-R206 WeakPolarHBondContact OD2-CB 3.16Å; R206-S225 WeakPolarHBondContact CA-O 3.47Å; R206-I226 WeakPolarHBondContact O-CA 3.3Å; R206-E227 PolarHBondContact O-N 2.96Å
207	N	98.1	Very high	97.5	Very high	90 Å²	90	39.8 Å²	39.8	48%	0.481	20%	0.202	S	C	.	.	B	Isolated β-bridge	trans	-123	156.5	179.4	-68.6	-74	0	0	0	111.1	D181	D181-N207 PolarHBondContact OD1-N 3.32Å; D181-N207 VanDerWaalsContact OD1-N 3.15Å; D181-N207 PolarHBondContact OD2-ND2 3.36Å
208	M	97.7	Very high	97.5	Very high	12 Å²	12	40.6 Å²	40.6	6%	0.059	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-60.8	137.5	168.5	-66.7	-64.9	-71.9	0	0	110.3	L219 L221 I226 I229 Y233 L245	M208-L219 HydrophobicContact CE-CD2 4.3Å; M208-L221 HydrophobicContact CE-CD1 3.63Å; M208-L221 HydrophobicContact SD-CD1 3.75Å; M208-I226 HydrophobicContact CG-CG2 4.25Å; M208-I226 HydrophobicContact SD-CD1 4.05Å; M208-I226 HydrophobicContact SD-CG2 4.01Å; M208-I229 HydrophobicContact CG-CB 4.25Å; M208-I229 HydrophobicContact CG-CG1 3.99Å; M208-I229 HydrophobicContact CG-CG2 4.31Å; M208-I229 HydrophobicContact SD-CG1 4.06Å; M208-Y233 HydrophobicContact CB-CD2 4.11Å; M208-Y233 HydrophobicContact CB-CE1 4.5Å; M208-Y233 HydrophobicContact CB-CE2 3.54Å; M208-Y233 HydrophobicContact CE-CD1 3.95Å; M208-Y233 HydrophobicContact CE-CE1 3.39Å; M208-Y233 HydrophobicContact CG-CE2 4.43Å; M208-L245 HydrophobicContact SD-CD2 4.01Å
209	P	96	Very high	97.5	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.013	21%	0.206	C	C	.	.	P	Polyproline II helix	trans	-57.6	135	178.1	-20.1	26.7	0	0	0	112	F189 M200 L205 L212 L221 Y233	F189-P209 HydrophobicContact CE2-CB 4.29Å; M200-P209 HydrophobicContact CE-CB 3.84Å; M200-P209 HydrophobicContact CE-CG 3.21Å; M200-P209 HydrophobicContact SD-CG 4.4Å; L205-P209 HydrophobicContact CD1-CG 4.37Å; P209-L212 HydrophobicContact CB-CD2 3.84Å; P209-L212 HydrophobicContact CB-CG 4.33Å; P209-L221 HydrophobicContact CG-CD2 3.94Å; P209-Y233 VanDerWaalsContact O-CE2 3.28Å; P209-Y233 WeakPolarHBondContact O-CE2 3.34Å; P209-Y233 PolarHBondContact O-OH 3.31Å
210	P	93.1	Very high	97.5	Very high	52 Å²	52	41 Å²	41	34%	0.338	21%	0.207	S	C	.	.	S	Bend	trans	-76.7	141.9	-177.1	30.3	-34.5	0	0	0	112.1	F184 L212	F184-P210 HydrophobicContact CB-CG 3.94Å; P210-L212 PolarHBondContact O-N 2.94Å
211	R	91.3	Very high	97.5	Very high	128 Å²	128	41 Å²	41	48%	0.483	21%	0.207	S	C	.	.	S	Bend	trans	49.4	56.2	168.4	-57.8	-167.1	-177.3	179.6	-12.1	114.5	R186 D187	R186-R211 VanDerWaalsContact CD-CZ 3.41Å; R186-R211 VanDerWaalsContact CD-NH1 3.34Å; R186-R211 VanDerWaalsContact O-CD 3.3Å; R186-R211 WeakPolarHBondContact O-CD 3.39Å; D187-R211 IonicContact OD1-NH1 3.9Å; D187-R211 PolarHBondContact OD1-NH1 3.2Å
212	L	95.8	Very high	97.5	Very high	6 Å²	6	41.8 Å²	41.8	3%	0.031	21%	0.211	C	C	.	.			trans	-61.7	154.9	173.4	-68.4	-176	0	0	0	112.2	F189 L198 P209 P210 L219 Y233 I237	F189-L212 HydrophobicContact CD2-CD2 3.87Å; F189-L212 HydrophobicContact CE2-CD2 3.83Å; F189-L212 HydrophobicContact CZ-CD2 4.43Å; L198-L212 HydrophobicContact CD2-CD2 3.43Å; L198-L212 VanDerWaalsContact CD2-CD2 3.43Å; P209-L212 HydrophobicContact CB-CD2 3.84Å; P209-L212 HydrophobicContact CB-CG 4.33Å; P210-L212 PolarHBondContact O-N 2.94Å; L212-L219 HydrophobicContact CD1-CD1 3.8Å; L212-L219 HydrophobicContact CD1-CD2 3.54Å; L212-L219 HydrophobicContact CD1-CG 4.31Å; L212-Y233 HydrophobicContact CD1-CE1 4.34Å; L212-Y233 WeakPolarHBondContact CD1-OH 3.34Å; L212-Y233 WeakPolarHBondContact CG-OH 3.15Å; L212-I237 HydrophobicContact CB-CG2 3.55Å; L212-I237 HydrophobicContact CD1-CD1 4.36Å
213	P	96.1	Very high	97.5	Very high	13 Å²	13	40.4 Å²	40.4	8%	0.084	21%	0.208	C	C	.	.			trans	-64	137.6	177.8	-22.9	35.6	0	0	0	112.7	F189 L192 L195 N215 T216 I237	F189-P213 HydrophobicContact CB-CG 3.93Å; L192-P213 HydrophobicContact CB-CG 3.85Å; L192-P213 VanDerWaalsContact O-CB 3.3Å; L192-P213 WeakPolarHBondContact O-CB 3.37Å; L195-P213 HydrophobicContact CB-CB 4.2Å; L195-P213 HydrophobicContact CB-CG 4.05Å; L195-P213 HydrophobicContact CD2-CG 3.9Å; P213-N215 PolarHBondContact O-N 2.95Å; P213-N215 VanDerWaalsContact O-N 3.07Å; P213-T216 WeakPolarHBondContact O-CB 3.07Å; P213-T216 PolarHBondContact O-N 3.5Å; P213-T216 PolarHBondContact O-OG1 2.85Å; P213-I237 WeakPolarHBondContact O-CG2 3.42Å
214	A	96.6	Very high	97.5	Very high	56 Å²	56	40.2 Å²	40.2	46%	0.463	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-20.9	-175.8	0	0	0	0	0	114.7	T216 V236	A214-T216 VanDerWaalsContact C-N 3.34Å; A214-V236 WeakPolarHBondContact CA-O 3.28Å
215	N	97.7	Very high	97.5	Very high	47 Å²	47	39.8 Å²	39.8	25%	0.251	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-0	178	-77.6	-35.9	0	0	0	114.3	K193 L195 P213 M217 K239	K193-N215 PolarHBondContact O-ND2 3.26Å; L195-N215 CarbonylContact O-C 3.19Å; P213-N215 PolarHBondContact O-N 2.95Å; P213-N215 VanDerWaalsContact O-N 3.07Å; N215-M217 PolarHBondContact O-N 3.32Å; N215-K239 WeakPolarHBondContact OD1-CE 3.44Å; N215-K239 PolarHBondContact OD1-NZ 3.29Å
216	T	98.4	Very high	97.5	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	20%	0.202	C	C	.	.			trans	-60.2	119.3	179.9	-53.3	0	0	0	0	110.3	L195 P213 A214 L219 K239 V240	L195-T216 WeakPolarHBondContact O-CA 3.33Å; L195-T216 PolarHBondContact O-N 2.9Å; P213-T216 WeakPolarHBondContact O-CB 3.07Å; P213-T216 PolarHBondContact O-N 3.5Å; P213-T216 PolarHBondContact O-OG1 2.85Å; A214-T216 VanDerWaalsContact C-N 3.34Å; T216-L219 HydrophobicContact CG2-CB 4.33Å; T216-K239 CarbonylContact O-C 3.55Å; T216-V240 WeakPolarHBondContact O-CA 3.11Å; T216-V240 PolarHBondContact O-N 3.35Å
217	M	98.8	Very high	97.5	Very high	69 Å²	69	37.2 Å²	37.2	34%	0.34	20%	0.196	S	C	.	.			trans	-104.6	-33.4	177.2	-67.1	-178.3	-176	0	0	112.1	M196 N215 K239 A241 F242	M196-M217 HydrophobicContact CE-CE 4.02Å; M196-M217 HydrophobicContact CE-SD 3.57Å; M196-M217 VanDerWaalsContact CE-SD 3.57Å; M196-M217 WeakPolarHBondContact O-CA 3.41Å; M196-M217 PolarHBondContact O-N 3.47Å; N215-M217 PolarHBondContact O-N 3.32Å; M217-K239 HydrophobicContact CE-CD 4.43Å; M217-K239 HydrophobicContact CG-CB 4.33Å; M217-A241 PolarHBondContact O-N 2.84Å; M217-F242 PolarHBondContact O-N 3.23Å
218	Q	98.9	Very high	97.5	Very high	60 Å²	60	34.9 Å²	34.9	28%	0.28	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	118.7	-179.2	-59.9	-177.5	37	0	0	109.4	M196 Q197 L198 F220 F242	M196-Q218 PolarHBondContact O-N 3Å; Q197-Q218 WeakPolarHBondContact CA-O 3.46Å; Q197-Q218 HydrophobicContact CB-CB 4.14Å; Q197-Q218 HydrophobicContact CG-CB 3.96Å; L198-Q218 PolarHBondContact N-O 2.96Å; Q218-F220 HydrophobicContact CB-CE1 4.13Å; Q218-F220 HydrophobicContact CB-CE2 4.49Å; Q218-F220 HydrophobicContact CB-CZ 3.9Å; Q218-F220 HydrophobicContact CG-CZ 4.42Å; Q218-F220 VanDerWaalsContact OE1-CZ 3.27Å; Q218-F242 HydrophobicContact CG-CB 4.15Å; Q218-F242 HydrophobicContact CG-CD2 3.85Å; Q218-F242 HydrophobicContact CG-CG 4.31Å
219	L	98.9	Very high	97.5	Very high	0 Å²	0	34.7 Å²	34.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	112.2	178.3	179.2	59.7	0	0	0	109.6	L198 M200 M208 L212 T216 L221 I237 V240 F242 L243 R244	L198-L219 HydrophobicContact CB-CD1 4.35Å; L198-L219 HydrophobicContact CD2-CD1 4.31Å; L198-L219 HydrophobicContact CG-CD1 4.43Å; M200-L219 HydrophobicContact CE-CD1 4.48Å; M208-L219 HydrophobicContact CE-CD2 4.3Å; L212-L219 HydrophobicContact CD1-CD1 3.8Å; L212-L219 HydrophobicContact CD1-CD2 3.54Å; L212-L219 HydrophobicContact CD1-CG 4.31Å; T216-L219 HydrophobicContact CG2-CB 4.33Å; L219-L221 HydrophobicContact CD1-CD1 4.17Å; L219-L221 HydrophobicContact CD1-CD2 4.46Å; L219-L221 HydrophobicContact CD1-CG 4.07Å; L219-L221 HydrophobicContact CD2-CD1 3.91Å; L219-L221 HydrophobicContact CG-CD1 3.93Å; L219-L221 HydrophobicContact CG-CG 4.08Å; L219-I237 HydrophobicContact CD2-CD1 4.21Å; L219-V240 HydrophobicContact CB-CG2 4.44Å; L219-F242 PolarHBondContact N-O 2.95Å; L219-L243 HydrophobicContact CB-CD1 4.12Å; L219-L243 HydrophobicContact CD2-CD1 3.93Å; L219-L243 HydrophobicContact CG-CD1 4.12Å; L219-R244 PolarHBondContact O-N 3.15Å
220	F	98.9	Very high	97.6	Very high	16 Å²	16	37.8 Å²	37.8	7%	0.07	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	116.7	-179.8	-51.3	-33.6	0	0	0	110.4	Q197 L198 N199 M200 A201 Q218 F242 R244	Q197-F220 HydrophobicContact CG-CE2 4.38Å; L198-F220 PolarHBondContact O-N 2.97Å; N199-F220 HydrophobicContact CB-CB 4.41Å; N199-F220 HydrophobicContact CB-CD2 4.09Å; M200-F220 CarbonylContact C-O 3.5Å; M200-F220 PolarHBondContact N-O 3.15Å; A201-F220 PolarHBondContact N-O 3.3Å; Q218-F220 HydrophobicContact CB-CE1 4.13Å; Q218-F220 HydrophobicContact CB-CE2 4.49Å; Q218-F220 HydrophobicContact CB-CZ 3.9Å; Q218-F220 HydrophobicContact CG-CZ 4.42Å; Q218-F220 VanDerWaalsContact OE1-CZ 3.27Å; F220-F242 HydrophobicContact CE1-CB 4.31Å; F220-R244 HydrophobicContact CD1-CB 3.94Å; F220-R244 HydrophobicContact CD1-CG 3.66Å; F220-R244 HydrophobicContact CE1-CG 4.01Å
221	L	98.9	Very high	97.7	Very high	0 Å²	0	40 Å²	40	0%	0	21%	0.214	C	C	.	.			trans	-130	17.4	-176.3	-69.5	171.9	0	0	0	111.6	M200 L205 M208 P209 L219 N224 I226 R244 L245 N248	M200-L221 HydrophobicContact CB-CD2 4.07Å; M200-L221 HydrophobicContact CE-CD2 3.92Å; L205-L221 HydrophobicContact CD1-CD2 3.98Å; M208-L221 HydrophobicContact CE-CD1 3.63Å; M208-L221 HydrophobicContact SD-CD1 3.75Å; P209-L221 HydrophobicContact CG-CD2 3.94Å; L219-L221 HydrophobicContact CD1-CD1 4.17Å; L219-L221 HydrophobicContact CD1-CD2 4.46Å; L219-L221 HydrophobicContact CD1-CG 4.07Å; L219-L221 HydrophobicContact CD2-CD1 3.91Å; L219-L221 HydrophobicContact CG-CD1 3.93Å; L219-L221 HydrophobicContact CG-CG 4.08Å; L221-N224 PolarHBondContact O-ND2 2.85Å; L221-I226 HydrophobicContact CB-CD1 3.96Å; L221-I226 HydrophobicContact CD1-CD1 4Å; L221-I226 HydrophobicContact CD2-CD1 4.34Å; L221-I226 HydrophobicContact CG-CD1 4.34Å; L221-R244 CarbonylContact C-O 3.44Å; L221-R244 WeakPolarHBondContact CA-O 3.48Å; L221-R244 PolarHBondContact N-O 2.88Å; L221-L245 HydrophobicContact CB-CD2 3.73Å; L221-L245 HydrophobicContact CB-CG 4.49Å; L221-L245 HydrophobicContact CD1-CD2 3.92Å; L221-L245 HydrophobicContact CG-CD2 4.48Å; L221-N248 PolarHBondContact O-ND2 2.75Å
222	D	98.9	Very high	97.9	Very high	20 Å²	20	38.3 Å²	38.3	11%	0.107	22%	0.215	C	C	.	.			trans	-54.3	150.2	179	-55.2	-82.4	0	0	0	112	A201 K202 N224 R244 N246	A201-D222 CarbonylContact C-O 3.15Å; A201-D222 WeakPolarHBondContact CA-O 2.95Å; A201-D222 HydrophobicContact CB-CB 3.95Å; A201-D222 WeakPolarHBondContact CB-O 3.42Å; K202-D222 PolarHBondContact N-O 3.13Å; D222-N224 PolarHBondContact O-N 3.22Å; D222-N224 PolarHBondContact O-ND2 3.39Å; D222-R244 WeakPolarHBondContact OD1-CB 3.36Å; D222-R244 WeakPolarHBondContact OD2-CB 3.39Å; D222-N246 CarbonylContact C-O 3.47Å; D222-N246 WeakPolarHBondContact CA-O 3.43Å; D222-N246 WeakPolarHBondContact OD1-CB 3.49Å; D222-N246 VanDerWaalsContact OD1-CG 3.32Å; D222-N246 PolarHBondContact OD1-N 3.38Å; D222-N246 VanDerWaalsContact OD1-N 3.16Å; D222-N246 PolarHBondContact OD1-ND2 3.47Å
223	N	98.9	Very high	97.9	Very high	67 Å²	67	39.2 Å²	39.2	36%	0.358	22%	0.218	S	C	.	.	S	Bend	trans	55.3	55.4	173.4	-64.6	-99.6	0	0	0	112	K202 N203 N246 H247	K202-N223 VanDerWaalsContact CA-O 3.24Å; K202-N223 WeakPolarHBondContact CA-O 3.35Å; K202-N223 HydrophobicContact CB-CB 4.42Å; K202-N223 HydrophobicContact CG-CB 3.74Å; K202-N223 PolarHBondContact N-O 2.94Å; N203-N223 PolarHBondContact N-O 3.4Å; N223-N246 PolarHBondContact N-O 3.12Å; N223-H247 VanDerWaalsContact CA-O 3.27Å; N223-H247 WeakPolarHBondContact CA-O 3.43Å; N223-H247 HydrophobicContact CB-CB 4.38Å; N223-H247 PolarHBondContact N-O 3.39Å
224	N	98.9	Very high	97.9	Very high	12 Å²	12	39.1 Å²	39.1	6%	0.064	22%	0.217	C	C	.	.	S	Bend	trans	-121.5	-158.4	169.4	-83.6	-76.8	0	0	0	108.3	M200 N203 A204 L205 L221 D222 I226 H247 N248	M200-N224 PolarHBondContact O-ND2 3.34Å; M200-N224 VanDerWaalsContact O-ND2 3.1Å; N203-N224 WeakPolarHBondContact CA-OD1 3.26Å; N203-N224 VanDerWaalsContact CB-OD1 3.24Å; N203-N224 WeakPolarHBondContact CB-OD1 3.48Å; N203-N224 PolarHBondContact N-OD1 3.33Å; N203-N224 PolarHBondContact O-OD1 3.33Å; A204-N224 PolarHBondContact N-OD1 3.49Å; L205-N224 HydrophobicContact CB-CB 4.17Å; L205-N224 WeakPolarHBondContact CB-OD1 3.15Å; L205-N224 VanDerWaalsContact CG-OD1 3.32Å; L205-N224 WeakPolarHBondContact CG-OD1 3.3Å; L205-N224 PolarHBondContact N-OD1 2.98Å; L221-N224 PolarHBondContact O-ND2 2.85Å; D222-N224 PolarHBondContact O-N 3.22Å; D222-N224 PolarHBondContact O-ND2 3.39Å; N224-I226 HydrophobicContact CB-CD1 4.28Å; N224-I226 HydrophobicContact CB-CG1 4.07Å; N224-H247 PolarHBondContact N-O 2.84Å; N224-N248 WeakPolarHBondContact CA-OD1 3.31Å; N224-N248 WeakPolarHBondContact CB-OD1 3.18Å
225	S	98.7	Very high	97.9	Very high	34 Å²	34	42 Å²	42	24%	0.238	22%	0.224	C	C	.	.			trans	-127	34.7	174.4	-72.4	0	0	0	0	111.1	L205 R206 E227 N248	L205-S225 CarbonylContact O-C 3.25Å; L205-S225 VanDerWaalsContact O-CA 3.26Å; L205-S225 WeakPolarHBondContact O-CA 3.24Å; L205-S225 PolarHBondContact O-N 3.37Å; R206-S225 WeakPolarHBondContact CA-O 3.47Å; S225-E227 PolarHBondContact O-N 2.98Å; S225-N248 PolarHBondContact N-OD1 3.34Å
226	I	98.9	Very high	97.7	Very high	0 Å²	0	43.4 Å²	43.4	0%	0	23%	0.234	C	C	.	.			trans	-67.6	122.8	-175.8	-60.7	170	0	0	0	109.6	L205 R206 M208 L221 N224 L245 N248 K249 L250	L205-I226 HydrophobicContact CB-CG1 4.3Å; L205-I226 PolarHBondContact O-N 3.34Å; R206-I226 WeakPolarHBondContact O-CA 3.3Å; M208-I226 HydrophobicContact CG-CG2 4.25Å; M208-I226 HydrophobicContact SD-CD1 4.05Å; M208-I226 HydrophobicContact SD-CG2 4.01Å; L221-I226 HydrophobicContact CB-CD1 3.96Å; L221-I226 HydrophobicContact CD1-CD1 4Å; L221-I226 HydrophobicContact CD2-CD1 4.34Å; L221-I226 HydrophobicContact CG-CD1 4.34Å; N224-I226 HydrophobicContact CB-CD1 4.28Å; N224-I226 HydrophobicContact CB-CG1 4.07Å; I226-L245 HydrophobicContact CD1-CD2 3.95Å; I226-N248 HydrophobicContact CB-CB 4.33Å; I226-N248 VanDerWaalsContact CB-OD1 3.31Å; I226-N248 WeakPolarHBondContact CB-OD1 3.31Å; I226-N248 WeakPolarHBondContact CG1-OD1 3.36Å; I226-N248 PolarHBondContact N-OD1 3.06Å; I226-K249 CarbonylContact O-C 3.06Å; I226-K249 VanDerWaalsContact O-C 3.25Å; I226-K249 WeakPolarHBondContact O-CA 3.46Å; I226-K249 PolarHBondContact O-N 3.07Å; I226-L250 HydrophobicContact CG2-CD2 4.09Å; I226-L250 PolarHBondContact O-N 3.12Å
227	E	98.4	Very high	97.5	Very high	98 Å²	98	43.4 Å²	43.4	46%	0.458	23%	0.234	S	C	.	.			trans	-100.1	-30.5	-176	-72	172.1	-161.4	0	0	112.5	R206 S225 K249 G254	R206-E227 PolarHBondContact O-N 2.96Å; S225-E227 PolarHBondContact O-N 2.98Å; E227-K249 HydrophobicContact CG-CB 3.76Å; E227-K249 HydrophobicContact CG-CD 4.15Å; E227-G254 WeakPolarHBondContact O-CA 3.49Å
228	A	98.2	Very high	97.5	Very high	41 Å²	41	43.6 Å²	43.6	34%	0.339	24%	0.24	S	C	.	.	B	Isolated β-bridge	trans	-146.7	151.8	-177.6	0	0	0	0	0	113.4	G254	A228-G254 CarbonylContact C-O 3.5Å; A228-G254 VanDerWaalsContact CA-O 3.24Å; A228-G254 WeakPolarHBondContact CA-O 3.49Å
229	I	98.3	Very high	97.4	Very high	7 Å²	7	45.5 Å²	45.5	4%	0.036	25%	0.248	C	C	.	.			trans	-108.1	123.7	171.6	-59.1	170.9	0	0	0	107.6	M208 Y233 F234 L245 L250 G254 L255 F260	M208-I229 HydrophobicContact CG-CB 4.25Å; M208-I229 HydrophobicContact CG-CG1 3.99Å; M208-I229 HydrophobicContact CG-CG2 4.31Å; M208-I229 HydrophobicContact SD-CG1 4.06Å; I229-Y233 HydrophobicContact CG2-CG 4.29Å; I229-F234 HydrophobicContact CD1-CZ 4.48Å; I229-F234 HydrophobicContact CG2-CE2 4.07Å; I229-F234 HydrophobicContact CG2-CZ 4.22Å; I229-L245 HydrophobicContact CD1-CD1 3.97Å; I229-L250 HydrophobicContact CD1-CD1 4.32Å; I229-L250 HydrophobicContact CD1-CD2 4.31Å; I229-L250 HydrophobicContact CG1-CD2 3.98Å; I229-G254 PolarHBondContact N-O 3Å; I229-L255 HydrophobicContact CD1-CD2 4.34Å; I229-F260 HydrophobicContact CD1-CE1 3.83Å; I229-F260 HydrophobicContact CD1-CZ 3.7Å
230	P	97	Very high	97.4	Very high	68 Å²	68	45.5 Å²	45.5	44%	0.442	25%	0.248	S	C	.	.			trans	-60.1	151.3	179.1	-24.7	33.9	0	0	0	113.6	Y233	P230-Y233 HydrophobicContact CB-CD2 4.41Å; P230-Y233 HydrophobicContact CG-CD2 4.09Å; P230-Y233 VanDerWaalsContact O-CB 3.29Å; P230-Y233 WeakPolarHBondContact O-CB 3.26Å; P230-Y233 PolarHBondContact O-N 2.99Å
231	E	96.3	Very high	97.4	Very high	97 Å²	97	45.4 Å²	45.4	45%	0.453	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.4	140.8	170.4	-77.9	-65.4	172.1	0	0	111.6	Y233 S257	E231-Y233 PolarHBondContact O-N 3.03Å; E231-Y233 VanDerWaalsContact O-N 3.11Å; E231-S257 WeakPolarHBondContact OE1-CB 3.38Å; E231-S257 PolarHBondContact OE1-N 2.99Å; E231-S257 PolarHBondContact OE1-OG 2.94Å; E231-S257 PolarHBondContact OE2-OG 2.83Å
232	N	94.7	Very high	97.4	Very high	94 Å²	94	49.4 Å²	49.4	50%	0.503	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	17.4	-179.8	-57.7	-62.3	0	0	0	115.2	F234 N235	N232-F234 VanDerWaalsContact C-N 3.28Å; N232-F234 PolarHBondContact O-N 2.8Å; N232-N235 HydrophobicContact CB-CB 4.49Å; N232-N235 WeakPolarHBondContact CB-ND2 3.11Å; N232-N235 WeakPolarHBondContact O-CB 3.26Å; N232-N235 PolarHBondContact O-N 2.98Å; N232-N235 PolarHBondContact OD1-ND2 3.24Å
233	Y	96.2	Very high	97.4	Very high	24 Å²	24	48.4 Å²	48.4	9%	0.094	26%	0.263	C	S	.	.	H	α-helix	trans	-54.1	-44	-178.4	-172	-94.8	0	0	0	112.7	M208 P209 L212 I229 P230 E231 N235 V236 I237	M208-Y233 HydrophobicContact CB-CD2 4.11Å; M208-Y233 HydrophobicContact CB-CE1 4.5Å; M208-Y233 HydrophobicContact CB-CE2 3.54Å; M208-Y233 HydrophobicContact CE-CD1 3.95Å; M208-Y233 HydrophobicContact CE-CE1 3.39Å; M208-Y233 HydrophobicContact CG-CE2 4.43Å; P209-Y233 VanDerWaalsContact O-CE2 3.28Å; P209-Y233 WeakPolarHBondContact O-CE2 3.34Å; P209-Y233 PolarHBondContact O-OH 3.31Å; L212-Y233 HydrophobicContact CD1-CE1 4.34Å; L212-Y233 WeakPolarHBondContact CD1-OH 3.34Å; L212-Y233 WeakPolarHBondContact CG-OH 3.15Å; I229-Y233 HydrophobicContact CG2-CG 4.29Å; P230-Y233 HydrophobicContact CB-CD2 4.41Å; P230-Y233 HydrophobicContact CG-CD2 4.09Å; P230-Y233 VanDerWaalsContact O-CB 3.29Å; P230-Y233 WeakPolarHBondContact O-CB 3.26Å; P230-Y233 PolarHBondContact O-N 2.99Å; E231-Y233 PolarHBondContact O-N 3.03Å; E231-Y233 VanDerWaalsContact O-N 3.11Å; Y233-N235 VanDerWaalsContact C-N 3.26Å; Y233-N235 PolarHBondContact O-N 3.07Å; Y233-V236 PolarHBondContact O-N 3.22Å; Y233-I237 HydrophobicContact CD1-CD1 4.15Å; Y233-I237 HydrophobicContact CE1-CD1 3.78Å
234	F	96.5	Very high	97.4	Very high	12 Å²	12	49.5 Å²	49.5	5%	0.053	26%	0.262	C	S	.	.	H	α-helix	trans	-73.9	-12.3	-177.8	-57.4	-66	0	0	0	114.2	I229 N232 V236 I237 V240 L243 F260 V262	I229-F234 HydrophobicContact CD1-CZ 4.48Å; I229-F234 HydrophobicContact CG2-CE2 4.07Å; I229-F234 HydrophobicContact CG2-CZ 4.22Å; N232-F234 VanDerWaalsContact C-N 3.28Å; N232-F234 PolarHBondContact O-N 2.8Å; F234-V236 PolarHBondContact O-N 3.31Å; F234-I237 HydrophobicContact CD1-CD1 3.96Å; F234-I237 HydrophobicContact CD1-CG1 4.19Å; F234-I237 HydrophobicContact CE1-CD1 4.38Å; F234-I237 CarbonylContact O-C 3.57Å; F234-I237 PolarHBondContact O-N 2.87Å; F234-V240 HydrophobicContact CD1-CG1 4.04Å; F234-L243 HydrophobicContact CE1-CD2 3.63Å; F234-L243 HydrophobicContact CZ-CD2 3.63Å; F234-F260 HydrophobicContact CE2-CD1 4.03Å; F234-F260 HydrophobicContact CE2-CE1 4.1Å; F234-F260 HydrophobicContact CZ-CD1 4.14Å; F234-F260 AromaticContact CZ-CE1 3.97Å; F234-F260 HydrophobicContact CZ-CE1 3.97Å; F234-V262 HydrophobicContact CB-CG1 4.11Å; F234-V262 HydrophobicContact CB-CG2 3.79Å; F234-V262 HydrophobicContact CD2-CG2 3.67Å; F234-V262 HydrophobicContact CE2-CG2 4.48Å; F234-V262 HydrophobicContact CG-CG2 3.83Å
235	N	94.8	Very high	97.4	Very high	115 Å²	115	48.9 Å²	48.9	62%	0.615	26%	0.258	S	S	*	.	H	α-helix	trans	-67	-25.5	173.6	-62	-0.5	0	0	0	111.5	N232 Y233	N232-N235 HydrophobicContact CB-CB 4.49Å; N232-N235 WeakPolarHBondContact CB-ND2 3.11Å; N232-N235 WeakPolarHBondContact O-CB 3.26Å; N232-N235 PolarHBondContact O-N 2.98Å; N232-N235 PolarHBondContact OD1-ND2 3.24Å; Y233-N235 VanDerWaalsContact C-N 3.26Å; Y233-N235 PolarHBondContact O-N 3.07Å
236	V	93.5	Very high	97.4	Very high	77 Å²	77	48 Å²	48	47%	0.467	25%	0.251	S	S	.	.	H	α-helix	trans	-81.7	-27.9	178.9	-178	0	0	0	0	111.8	A214 Y233 F234 P238	A214-V236 WeakPolarHBondContact CA-O 3.28Å; Y233-V236 PolarHBondContact O-N 3.22Å; F234-V236 PolarHBondContact O-N 3.31Å; V236-P238 VanDerWaalsContact O-CD 3.24Å; V236-P238 WeakPolarHBondContact O-CD 3.14Å
237	I	96.1	Very high	97.4	Very high	1 Å²	1	51.9 Å²	51.9	1%	0.005	27%	0.269	C	S	.	.			trans	-119	62.3	-179.6	52.9	169.3	0	0	0	111.2	L212 P213 L219 Y233 F234 K239 V240	L212-I237 HydrophobicContact CB-CG2 3.55Å; L212-I237 HydrophobicContact CD1-CD1 4.36Å; P213-I237 WeakPolarHBondContact O-CG2 3.42Å; L219-I237 HydrophobicContact CD2-CD1 4.21Å; Y233-I237 HydrophobicContact CD1-CD1 4.15Å; Y233-I237 HydrophobicContact CE1-CD1 3.78Å; F234-I237 HydrophobicContact CD1-CD1 3.96Å; F234-I237 HydrophobicContact CD1-CG1 4.19Å; F234-I237 HydrophobicContact CE1-CD1 4.38Å; F234-I237 CarbonylContact O-C 3.57Å; F234-I237 PolarHBondContact O-N 2.87Å; I237-K239 PolarHBondContact O-N 2.88Å; I237-V240 HydrophobicContact CD1-CB 4.22Å; I237-V240 HydrophobicContact CD1-CG1 4.19Å; I237-V240 HydrophobicContact CG1-CG1 4.3Å; I237-V240 WeakPolarHBondContact O-CG1 3.43Å; I237-V240 PolarHBondContact O-N 3.27Å
238	P	96.9	Very high	97.4	Very high	72 Å²	72	47.8 Å²	47.8	47%	0.468	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.3	-13.2	-169.5	28.8	-37.4	0	0	0	114	V236 S264	V236-P238 VanDerWaalsContact O-CD 3.24Å; V236-P238 WeakPolarHBondContact O-CD 3.14Å; P238-S264 WeakPolarHBondContact O-CB 3.49Å; P238-S264 PolarHBondContact O-OG 3.43Å
239	K	98.1	Very high	97.4	Very high	100 Å²	100	49.7 Å²	49.7	44%	0.435	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	2.7	-177.9	-61.1	-169.3	-177.2	175	0	114.7	N215 T216 M217 I237 A241	N215-K239 WeakPolarHBondContact OD1-CE 3.44Å; N215-K239 PolarHBondContact OD1-NZ 3.29Å; T216-K239 CarbonylContact O-C 3.55Å; M217-K239 HydrophobicContact CE-CD 4.43Å; M217-K239 HydrophobicContact CG-CB 4.33Å; I237-K239 PolarHBondContact O-N 2.88Å; K239-A241 PolarHBondContact O-N 3.09Å
240	V	98.5	Very high	97.5	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	25%	0.249	C	C	.	.			trans	-62.8	119.4	-178.1	64.3	0	0	0	0	110.7	T216 L219 F234 I237 L243 S264 I265	T216-V240 WeakPolarHBondContact O-CA 3.11Å; T216-V240 PolarHBondContact O-N 3.35Å; L219-V240 HydrophobicContact CB-CG2 4.44Å; F234-V240 HydrophobicContact CD1-CG1 4.04Å; I237-V240 HydrophobicContact CD1-CB 4.22Å; I237-V240 HydrophobicContact CD1-CG1 4.19Å; I237-V240 HydrophobicContact CG1-CG1 4.3Å; I237-V240 WeakPolarHBondContact O-CG1 3.43Å; I237-V240 PolarHBondContact O-N 3.27Å; V240-L243 HydrophobicContact CG2-CB 4.39Å; V240-S264 CarbonylContact O-C 3.5Å; V240-S264 WeakPolarHBondContact O-CB 3.2Å; V240-S264 VanDerWaalsContact O-O 3.11Å; V240-S264 PolarHBondContact O-OG 3.32Å; V240-I265 HydrophobicContact CG1-CD1 4.4Å; V240-I265 HydrophobicContact CG1-CG1 3.96Å; V240-I265 WeakPolarHBondContact O-CA 3.47Å; V240-I265 PolarHBondContact O-N 2.87Å
241	A	98.8	Very high	97.5	Very high	15 Å²	15	48.2 Å²	48.2	12%	0.124	24%	0.242	C	C	.	.			trans	-111	-34.5	-178.7	0	0	0	0	0	112.2	M217 K239 S264 L266 D267	M217-A241 PolarHBondContact O-N 2.84Å; K239-A241 PolarHBondContact O-N 3.09Å; A241-S264 WeakPolarHBondContact CA-O 3.26Å; A241-L266 HydrophobicContact CB-CD1 4.47Å; A241-L266 HydrophobicContact CB-CG 4.44Å; A241-L266 PolarHBondContact O-N 3.32Å; A241-D267 PolarHBondContact O-N 2.94Å
242	F	98.9	Very high	97.5	Very high	83 Å²	83	45.8 Å²	45.8	36%	0.364	23%	0.233	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.2	111.1	179.7	-57.5	-93.3	0	0	0	109.1	M217 Q218 L219 F220 D267	M217-F242 PolarHBondContact O-N 3.23Å; Q218-F242 HydrophobicContact CG-CB 4.15Å; Q218-F242 HydrophobicContact CG-CD2 3.85Å; Q218-F242 HydrophobicContact CG-CG 4.31Å; L219-F242 PolarHBondContact N-O 2.95Å; F220-F242 HydrophobicContact CE1-CB 4.31Å; F242-D267 HydrophobicContact CD1-CB 3.56Å; F242-D267 HydrophobicContact CE1-CB 4.05Å; F242-D267 HydrophobicContact CG-CB 4.42Å
243	L	98.9	Very high	97.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	116.1	-179.9	179.6	60.5	0	0	0	110	L219 F234 V240 L245 F260 I265 D267 L268 Q269	L219-L243 HydrophobicContact CB-CD1 4.12Å; L219-L243 HydrophobicContact CD2-CD1 3.93Å; L219-L243 HydrophobicContact CG-CD1 4.12Å; F234-L243 HydrophobicContact CE1-CD2 3.63Å; F234-L243 HydrophobicContact CZ-CD2 3.63Å; V240-L243 HydrophobicContact CG2-CB 4.39Å; L243-L245 HydrophobicContact CD1-CD1 4Å; L243-L245 HydrophobicContact CD1-CG 4.19Å; L243-L245 HydrophobicContact CD2-CD1 3.86Å; L243-L245 HydrophobicContact CG-CD1 3.9Å; L243-L245 HydrophobicContact CG-CG 4.34Å; L243-F260 HydrophobicContact CD2-CD1 4.34Å; L243-F260 HydrophobicContact CD2-CE1 4.01Å; L243-I265 HydrophobicContact CD2-CD1 4.1Å; L243-D267 PolarHBondContact N-O 3.04Å; L243-L268 HydrophobicContact CB-CD1 4.19Å; L243-L268 HydrophobicContact CD2-CD1 3.85Å; L243-L268 HydrophobicContact CG-CD1 4.12Å; L243-Q269 PolarHBondContact O-N 2.92Å
244	R	98.9	Very high	97.7	Very high	89 Å²	89	45.2 Å²	45.2	34%	0.336	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	121.4	176.2	-59.1	-171.8	173.9	154.4	0.3	111.6	L219 F220 L221 D222 Q269	L219-R244 PolarHBondContact O-N 3.15Å; F220-R244 HydrophobicContact CD1-CB 3.94Å; F220-R244 HydrophobicContact CD1-CG 3.66Å; F220-R244 HydrophobicContact CE1-CG 4.01Å; L221-R244 CarbonylContact C-O 3.44Å; L221-R244 WeakPolarHBondContact CA-O 3.48Å; L221-R244 PolarHBondContact N-O 2.88Å; D222-R244 WeakPolarHBondContact OD1-CB 3.36Å; D222-R244 WeakPolarHBondContact OD2-CB 3.39Å; R244-Q269 HydrophobicContact CB-CB 4.46Å; R244-Q269 HydrophobicContact CG-CB 4.27Å; R244-Q269 HydrophobicContact CG-CG 4.02Å
245	L	98.9	Very high	97.7	Very high	0 Å²	0	45.9 Å²	45.9	0%	0	25%	0.251	C	S	.	.			trans	-134.5	23.8	-177.6	-79.8	162.3	0	0	0	110.5	M208 L221 I226 I229 L243 N248 L250 Q269 L270 N273	M208-L245 HydrophobicContact SD-CD2 4.01Å; L221-L245 HydrophobicContact CB-CD2 3.73Å; L221-L245 HydrophobicContact CB-CG 4.49Å; L221-L245 HydrophobicContact CD1-CD2 3.92Å; L221-L245 HydrophobicContact CG-CD2 4.48Å; I226-L245 HydrophobicContact CD1-CD2 3.95Å; I229-L245 HydrophobicContact CD1-CD1 3.97Å; L243-L245 HydrophobicContact CD1-CD1 4Å; L243-L245 HydrophobicContact CD1-CG 4.19Å; L243-L245 HydrophobicContact CD2-CD1 3.86Å; L243-L245 HydrophobicContact CG-CD1 3.9Å; L243-L245 HydrophobicContact CG-CG 4.34Å; L245-N248 PolarHBondContact O-ND2 3.16Å; L245-L250 HydrophobicContact CB-CD1 4.13Å; L245-L250 HydrophobicContact CD1-CD1 4.12Å; L245-L250 HydrophobicContact CD2-CD1 4.49Å; L245-L250 HydrophobicContact CG-CD1 4.5Å; L245-Q269 CarbonylContact C-O 3.57Å; L245-Q269 WeakPolarHBondContact CA-O 3.38Å; L245-Q269 PolarHBondContact N-O 2.82Å; L245-L270 HydrophobicContact CB-CD2 3.88Å; L245-L270 HydrophobicContact CD1-CD2 4.12Å; L245-N273 PolarHBondContact O-ND2 3.02Å
246	N	98.9	Very high	97.8	Very high	16 Å²	16	41 Å²	41	9%	0.086	23%	0.225	C	C	.	.			trans	-62.9	154.1	-179.2	-53.9	-58	0	0	0	110.9	D222 N223 N248 Q269 L270 S271	D222-N246 CarbonylContact C-O 3.47Å; D222-N246 WeakPolarHBondContact CA-O 3.43Å; D222-N246 WeakPolarHBondContact OD1-CB 3.49Å; D222-N246 VanDerWaalsContact OD1-CG 3.32Å; D222-N246 PolarHBondContact OD1-N 3.38Å; D222-N246 VanDerWaalsContact OD1-N 3.16Å; D222-N246 PolarHBondContact OD1-ND2 3.47Å; N223-N246 PolarHBondContact N-O 3.12Å; N246-N248 PolarHBondContact O-N 2.83Å; N246-N248 PolarHBondContact O-ND2 3.11Å; N246-Q269 VanDerWaalsContact ND2-CB 3.3Å; N246-Q269 WeakPolarHBondContact ND2-CB 3.4Å; N246-Q269 PolarHBondContact ND2-OE1 3.17Å; N246-Q269 VanDerWaalsContact OD1-CB 3.24Å; N246-Q269 WeakPolarHBondContact OD1-CB 3.28Å; N246-L270 PolarHBondContact OD1-N 2.74Å; N246-S271 CarbonylContact C-O 3.25Å; N246-S271 WeakPolarHBondContact CA-O 3.45Å; N246-S271 VanDerWaalsContact OD1-CB 3.3Å; N246-S271 WeakPolarHBondContact OD1-CB 3.46Å; N246-S271 PolarHBondContact OD1-N 2.79Å; N246-S271 PolarHBondContact OD1-OG 3.27Å
247	H	98.8	Very high	97.8	Very high	81 Å²	81	42 Å²	42	38%	0.375	24%	0.236	S	C	.	.	S	Bend	trans	53.3	55.8	178.2	-59.2	-89.7	0	0	0	112.1	N223 N224 S271 H272	N223-H247 VanDerWaalsContact CA-O 3.27Å; N223-H247 WeakPolarHBondContact CA-O 3.43Å; N223-H247 HydrophobicContact CB-CB 4.38Å; N223-H247 PolarHBondContact N-O 3.39Å; N224-H247 PolarHBondContact N-O 2.84Å; H247-S271 PolarHBondContact N-O 3.36Å; H247-H272 WeakPolarHBondContact CA-O 3.34Å; H247-H272 HydrophobicContact CB-CB 4.38Å; H247-H272 AromaticContact CE1-CD2 3.21Å; H247-H272 PolarHBondContact CE1-CD2 2.88Å; H247-H272 AromaticContact CE1-CE1 3.89Å; H247-H272 AromaticContact CE1-CG 3.23Å; H247-H272 AromaticContact CE1-ND1 3.67Å; H247-H272 AromaticContact CE1-NE2 3.62Å; H247-H272 PolarHBondContact N-O 3.07Å; H247-H272 WeakPolarHBondContact ND1-CB 3.32Å; H247-H272 AromaticContact ND1-CD2 3.93Å; H247-H272 AromaticContact ND1-CG 3.54Å; H247-H272 AromaticContact NE2-CD2 3.31Å; H247-H272 PolarHBondContact NE2-CD2 3.06Å; H247-H272 VanDerWaalsContact NE2-CD2 3.31Å; H247-H272 AromaticContact NE2-CG 3.74Å; H247-H272 AromaticContact NE2-NE2 3.89Å
248	N	98.9	Very high	97.6	Very high	11 Å²	11	48.4 Å²	48.4	6%	0.059	26%	0.263	C	S	.	.	S	Bend	trans	-123.4	-164.5	172.3	-85.6	-73.8	0	0	0	109.3	L221 N224 S225 I226 L245 N246 L250 H272 N273	L221-N248 PolarHBondContact O-ND2 2.75Å; N224-N248 WeakPolarHBondContact CA-OD1 3.31Å; N224-N248 WeakPolarHBondContact CB-OD1 3.18Å; S225-N248 PolarHBondContact N-OD1 3.34Å; I226-N248 HydrophobicContact CB-CB 4.33Å; I226-N248 VanDerWaalsContact CB-OD1 3.31Å; I226-N248 WeakPolarHBondContact CB-OD1 3.31Å; I226-N248 WeakPolarHBondContact CG1-OD1 3.36Å; I226-N248 PolarHBondContact N-OD1 3.06Å; L245-N248 PolarHBondContact O-ND2 3.16Å; N246-N248 PolarHBondContact O-N 2.83Å; N246-N248 PolarHBondContact O-ND2 3.11Å; N248-L250 HydrophobicContact CB-CG 4.46Å; N248-H272 PolarHBondContact N-O 3.36Å; N248-N273 WeakPolarHBondContact CA-OD1 3.26Å; N248-N273 WeakPolarHBondContact CB-OD1 3.29Å; N248-N273 PolarHBondContact N-OD1 3.25Å; N248-N273 PolarHBondContact O-OD1 3.25Å
249	K	98.7	Very high	97.4	Very high	82 Å²	82	45.4 Å²	45.4	36%	0.357	25%	0.246	S	C	.	.			trans	-118.6	24.7	-178.6	-63	-176.4	-177	178.3	0	112	I226 E227 S251 N273	I226-K249 CarbonylContact O-C 3.06Å; I226-K249 VanDerWaalsContact O-C 3.25Å; I226-K249 WeakPolarHBondContact O-CA 3.46Å; I226-K249 PolarHBondContact O-N 3.07Å; E227-K249 HydrophobicContact CG-CB 3.76Å; E227-K249 HydrophobicContact CG-CD 4.15Å; K249-S251 PolarHBondContact O-N 2.94Å; K249-N273 PolarHBondContact N-OD1 3.35Å
250	L	98.7	Very high	97.3	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.226	C	C	.	.			trans	-63.6	128.1	-178.6	-64.7	170.7	0	0	0	109.8	I226 I229 L245 N248 L270 N273 Q274 L275	I226-L250 HydrophobicContact CG2-CD2 4.09Å; I226-L250 PolarHBondContact O-N 3.12Å; I229-L250 HydrophobicContact CD1-CD1 4.32Å; I229-L250 HydrophobicContact CD1-CD2 4.31Å; I229-L250 HydrophobicContact CG1-CD2 3.98Å; L245-L250 HydrophobicContact CB-CD1 4.13Å; L245-L250 HydrophobicContact CD1-CD1 4.12Å; L245-L250 HydrophobicContact CD2-CD1 4.49Å; L245-L250 HydrophobicContact CG-CD1 4.5Å; N248-L250 HydrophobicContact CB-CG 4.46Å; L250-L270 HydrophobicContact CD1-CD2 3.79Å; L250-N273 HydrophobicContact CB-CB 4.24Å; L250-N273 WeakPolarHBondContact CB-OD1 3.09Å; L250-N273 PolarHBondContact N-OD1 2.74Å; L250-Q274 CarbonylContact O-C 3.09Å; L250-Q274 VanDerWaalsContact O-C 3.29Å; L250-Q274 VanDerWaalsContact O-CA 3.28Å; L250-Q274 WeakPolarHBondContact O-CA 3.43Å; L250-Q274 WeakPolarHBondContact O-CB 3.44Å; L250-Q274 PolarHBondContact O-N 2.94Å; L250-L275 HydrophobicContact CB-CD2 4.43Å; L250-L275 PolarHBondContact O-N 2.76Å
251	S	97.9	Very high	97	Very high	43 Å²	43	43.5 Å²	43.5	30%	0.301	24%	0.241	S	C	.	.			trans	-118	170	170.6	66.3	0	0	0	0	109.1	K249 A253 G254 L255	K249-S251 PolarHBondContact O-N 2.94Å; S251-A253 PolarHBondContact O-N 3.08Å; S251-G254 WeakPolarHBondContact O-CA 3.45Å; S251-G254 PolarHBondContact O-N 3.42Å; S251-L255 PolarHBondContact O-N 2.86Å
252	D	96.1	Very high	96.8	Very high	46 Å²	46	43.9 Å²	43.9	25%	0.246	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-57.5	-35.7	-179.5	-56.1	-16.6	0	0	0	112.4	G254 L255 L275 T276 N277	D252-G254 VanDerWaalsContact C-N 3.26Å; D252-G254 PolarHBondContact O-N 3.26Å; D252-L255 PolarHBondContact O-N 3Å; D252-L275 WeakPolarHBondContact OD1-CA 3.5Å; D252-T276 PolarHBondContact OD1-N 3.19Å; D252-T276 WeakPolarHBondContact OD2-CB 3.4Å; D252-T276 PolarHBondContact OD2-N 3.36Å; D252-T276 PolarHBondContact OD2-OG1 2.86Å; D252-N277 PolarHBondContact OD1-N 2.79Å; D252-N277 PolarHBondContact OD2-N 2.66Å; D252-N277 VanDerWaalsContact OD2-N 3.17Å; D252-N277 PolarHBondContact OD2-ND2 3.39Å
253	A	97.3	Very high	96.7	Very high	101 Å²	101	43.5 Å²	43.5	84%	0.835	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-71.8	-19.5	176	0	0	0	0	0	113.5	S251	S251-A253 PolarHBondContact O-N 3.08Å
254	G	97.5	Very high	96.6	Very high	6 Å²	6	44.8 Å²	44.8	6%	0.062	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-86.2	-7.4	175.2	0	0	0	0	0	113.6	E227 A228 I229 S251 D252	E227-G254 WeakPolarHBondContact O-CA 3.49Å; A228-G254 CarbonylContact C-O 3.5Å; A228-G254 VanDerWaalsContact CA-O 3.24Å; A228-G254 WeakPolarHBondContact CA-O 3.49Å; I229-G254 PolarHBondContact N-O 3Å; S251-G254 WeakPolarHBondContact O-CA 3.45Å; S251-G254 PolarHBondContact O-N 3.42Å; D252-G254 VanDerWaalsContact C-N 3.26Å; D252-G254 PolarHBondContact O-N 3.26Å
255	L	97.6	Very high	96.6	Very high	25 Å²	25	40.7 Å²	40.7	13%	0.131	24%	0.242	C	C	.	.	S	Bend	trans	-85.3	149	175.5	-60.9	-173.9	0	0	0	110.9	I229 S251 D252 F260 L275 P279	I229-L255 HydrophobicContact CD1-CD2 4.34Å; S251-L255 PolarHBondContact O-N 2.86Å; D252-L255 PolarHBondContact O-N 3Å; L255-F260 HydrophobicContact CD1-CE2 4.21Å; L255-F260 HydrophobicContact CD2-CE2 3.74Å; L255-F260 HydrophobicContact CD2-CZ 3.87Å; L255-L275 HydrophobicContact CD1-CD2 3.78Å; L255-L275 HydrophobicContact CD2-CD2 4.29Å; L255-L275 HydrophobicContact CG-CD2 4.06Å; L255-P279 HydrophobicContact CD1-CB 3.79Å
256	P	96.4	Very high	96.6	Very high	13 Å²	13	43.4 Å²	43.4	8%	0.084	26%	0.257	C	S	.	.			trans	-66.2	156.6	172.8	30.9	-36.4	0	0	0	110.2	K258 G259	P256-K258 PolarHBondContact O-N 3.03Å; P256-K258 VanDerWaalsContact O-N 3.1Å; P256-G259 VanDerWaalsContact CG-O 3.29Å; P256-G259 WeakPolarHBondContact CG-O 3.46Å; P256-G259 WeakPolarHBondContact O-CA 3.43Å; P256-G259 PolarHBondContact O-N 2.97Å
257	S	94.1	Very high	96.6	Very high	98 Å²	98	43.4 Å²	43.4	69%	0.685	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	-31.1	-177.9	54.8	0	0	0	0	114.4	E231	E231-S257 WeakPolarHBondContact OE1-CB 3.38Å; E231-S257 PolarHBondContact OE1-N 2.99Å; E231-S257 PolarHBondContact OE1-OG 2.94Å; E231-S257 PolarHBondContact OE2-OG 2.83Å
258	K	91.1	Very high	96.6	Very high	135 Å²	135	39.5 Å²	39.5	59%	0.587	24%	0.239	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.8	0.9	175	-65.4	-175	178.8	179.6	0	114	P256 F260 D261	P256-K258 PolarHBondContact O-N 3.03Å; P256-K258 VanDerWaalsContact O-N 3.1Å; K258-F260 PolarHBondContact O-N 2.86Å; K258-D261 WeakPolarHBondContact O-CB 3.49Å; K258-D261 PolarHBondContact O-N 3.26Å
259	G	92.8	Very high	96.6	Very high	10 Å²	10	40.3 Å²	40.3	10%	0.103	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.3	-130.7	-173.6	0	0	0	0	0	111.9	P256	P256-G259 VanDerWaalsContact CG-O 3.29Å; P256-G259 WeakPolarHBondContact CG-O 3.46Å; P256-G259 WeakPolarHBondContact O-CA 3.43Å; P256-G259 PolarHBondContact O-N 2.97Å
260	F	94.9	Very high	96.6	Very high	4 Å²	4	36.4 Å²	36.4	2%	0.018	23%	0.225	C	C	.	.	B	Isolated β-bridge	trans	-106.5	37.8	176.7	-58.3	-85.9	0	0	0	111.7	I229 F234 L243 L255 K258 V262 I265 L268 L270 P279 R280 N282	I229-F260 HydrophobicContact CD1-CE1 3.83Å; I229-F260 HydrophobicContact CD1-CZ 3.7Å; F234-F260 HydrophobicContact CE2-CD1 4.03Å; F234-F260 HydrophobicContact CE2-CE1 4.1Å; F234-F260 HydrophobicContact CZ-CD1 4.14Å; F234-F260 AromaticContact CZ-CE1 3.97Å; F234-F260 HydrophobicContact CZ-CE1 3.97Å; L243-F260 HydrophobicContact CD2-CD1 4.34Å; L243-F260 HydrophobicContact CD2-CE1 4.01Å; L255-F260 HydrophobicContact CD1-CE2 4.21Å; L255-F260 HydrophobicContact CD2-CE2 3.74Å; L255-F260 HydrophobicContact CD2-CZ 3.87Å; K258-F260 PolarHBondContact O-N 2.86Å; F260-V262 PolarHBondContact O-N 2.9Å; F260-I265 HydrophobicContact CD1-CD1 4.41Å; F260-L268 HydrophobicContact CB-CD2 3.72Å; F260-L268 HydrophobicContact CD1-CD1 4Å; F260-L268 HydrophobicContact CD1-CD2 3.89Å; F260-L268 HydrophobicContact CD2-CD2 3.79Å; F260-L268 HydrophobicContact CE1-CD1 4Å; F260-L268 HydrophobicContact CE1-CD2 4.45Å; F260-L268 HydrophobicContact CE2-CD2 4.38Å; F260-L268 HydrophobicContact CG-CD1 4.47Å; F260-L268 HydrophobicContact CG-CD2 3.52Å; F260-L268 HydrophobicContact CZ-CD1 4.48Å; F260-L270 HydrophobicContact CD2-CD1 4.12Å; F260-L270 HydrophobicContact CE2-CD1 3.52Å; F260-L270 HydrophobicContact CE2-CD2 4.33Å; F260-L270 HydrophobicContact CZ-CD1 3.86Å; F260-L270 HydrophobicContact CZ-CD2 3.86Å; F260-L270 HydrophobicContact CZ-CG 4.46Å; F260-P279 HydrophobicContact CD2-CB 3.97Å; F260-P279 HydrophobicContact CD2-CG 4.34Å; F260-P279 HydrophobicContact CE2-CB 4.23Å; F260-R280 CarbonylContact C-O 3.51Å; F260-R280 WeakPolarHBondContact CA-O 3.31Å; F260-R280 PolarHBondContact N-O 3.05Å; F260-N282 PolarHBondContact O-N 2.78Å
261	D	93.6	Very high	96.6	Very high	56 Å²	56	36.8 Å²	36.8	30%	0.299	23%	0.228	S	C	.	.			trans	-72	66.4	166.5	-164.4	-0.7	0	0	0	110.5	K258 R280 N282	K258-D261 WeakPolarHBondContact O-CB 3.49Å; K258-D261 PolarHBondContact O-N 3.26Å; D261-R280 HydrophobicContact CB-CG 4.36Å; D261-R280 IonicContact OD2-CZ 3.34Å; D261-R280 IonicContact OD2-NE 3.17Å; D261-R280 PolarHBondContact OD2-NE 3.38Å; D261-R280 IonicContact OD2-NH2 2.76Å; D261-R280 PolarHBondContact OD2-NH2 3.13Å; D261-N282 PolarHBondContact OD1-ND2 3.12Å
262	V	95	Very high	96.6	Very high	22 Å²	22	37.9 Å²	37.9	13%	0.133	23%	0.228	C	C	.	.			trans	-123.5	112.8	-176.9	-177.3	0	0	0	0	107.8	F234 F260 S264 I265 N282	F234-V262 HydrophobicContact CB-CG1 4.11Å; F234-V262 HydrophobicContact CB-CG2 3.79Å; F234-V262 HydrophobicContact CD2-CG2 3.67Å; F234-V262 HydrophobicContact CE2-CG2 4.48Å; F234-V262 HydrophobicContact CG-CG2 3.83Å; F260-V262 PolarHBondContact O-N 2.9Å; V262-S264 WeakPolarHBondContact CG1-OG 3.47Å; V262-S264 PolarHBondContact O-N 3.34Å; V262-I265 HydrophobicContact CB-CD1 3.78Å; V262-I265 HydrophobicContact CB-CG1 3.97Å; V262-I265 HydrophobicContact CG1-CD1 3.97Å; V262-I265 HydrophobicContact CG1-CG1 3.8Å; V262-I265 HydrophobicContact CG2-CD1 4.16Å; V262-I265 PolarHBondContact O-N 2.86Å; V262-N282 WeakPolarHBondContact O-CB 2.92Å
263	S	95	Very high	96.7	Very high	76 Å²	76	36.2 Å²	36.2	53%	0.531	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-17	-171.1	57.7	0	0	0	0	115.2	N284	S263-N284 PolarHBondContact O-ND2 3.37Å
264	S	97.8	Very high	96.8	Very high	27 Å²	27	35 Å²	35	19%	0.189	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.7	-22.7	179.1	43.9	0	0	0	0	113.9	P238 V240 A241 V262 L266	P238-S264 WeakPolarHBondContact O-CB 3.49Å; P238-S264 PolarHBondContact O-OG 3.43Å; V240-S264 CarbonylContact O-C 3.5Å; V240-S264 WeakPolarHBondContact O-CB 3.2Å; V240-S264 VanDerWaalsContact O-O 3.11Å; V240-S264 PolarHBondContact O-OG 3.32Å; A241-S264 WeakPolarHBondContact CA-O 3.26Å; V262-S264 WeakPolarHBondContact CG1-OG 3.47Å; V262-S264 PolarHBondContact O-N 3.34Å; S264-L266 PolarHBondContact O-N 2.95Å
265	I	98.4	Very high	96.8	Very high	2 Å²	2	34.7 Å²	34.7	1%	0.01	19%	0.193	C	C	.	.			trans	-73.9	125	-177.3	-60.5	177.7	0	0	0	109.6	V240 L243 F260 V262 L268 L285	V240-I265 HydrophobicContact CG1-CD1 4.4Å; V240-I265 HydrophobicContact CG1-CG1 3.96Å; V240-I265 WeakPolarHBondContact O-CA 3.47Å; V240-I265 PolarHBondContact O-N 2.87Å; L243-I265 HydrophobicContact CD2-CD1 4.1Å; F260-I265 HydrophobicContact CD1-CD1 4.41Å; V262-I265 HydrophobicContact CB-CD1 3.78Å; V262-I265 HydrophobicContact CB-CG1 3.97Å; V262-I265 HydrophobicContact CG1-CD1 3.97Å; V262-I265 HydrophobicContact CG1-CG1 3.8Å; V262-I265 HydrophobicContact CG2-CD1 4.16Å; V262-I265 PolarHBondContact O-N 2.86Å; I265-L268 HydrophobicContact CG2-CB 4.02Å; I265-L285 HydrophobicContact CB-CD1 4.45Å; I265-L285 HydrophobicContact CG2-CD1 3.69Å
266	L	98.4	Very high	96.7	Very high	57 Å²	57	36.4 Å²	36.4	30%	0.298	20%	0.204	S	C	.	.			trans	-108.5	-36	177	-56.7	-178.8	0	0	0	111.6	A241 S264 Q286 H287	A241-L266 HydrophobicContact CB-CD1 4.47Å; A241-L266 HydrophobicContact CB-CG 4.44Å; A241-L266 PolarHBondContact O-N 3.32Å; S264-L266 PolarHBondContact O-N 2.95Å; L266-Q286 HydrophobicContact CD2-CG 4.49Å; L266-Q286 WeakPolarHBondContact O-CA 3.49Å; L266-Q286 WeakPolarHBondContact O-CB 3.47Å; L266-Q286 PolarHBondContact O-N 3.4Å; L266-H287 PolarHBondContact O-N 3.14Å
267	D	98.8	Very high	96.5	Very high	16 Å²	16	40 Å²	40	9%	0.086	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	115.6	-179.9	-166.7	-66.8	0	0	0	109.4	A241 F242 L243 Q269 H287	A241-D267 PolarHBondContact O-N 2.94Å; F242-D267 HydrophobicContact CD1-CB 3.56Å; F242-D267 HydrophobicContact CE1-CB 4.05Å; F242-D267 HydrophobicContact CG-CB 4.42Å; L243-D267 PolarHBondContact N-O 3.04Å; D267-Q269 WeakPolarHBondContact OD1-CG 3.47Å; D267-Q269 PolarHBondContact OD1-NE2 3.2Å; D267-H287 HydrophobicContact CB-CB 4.49Å; D267-H287 IonicContact OD2-CG 2.94Å; D267-H287 IonicContact OD2-ND1 3.93Å; D267-H287 PolarHBondContact OD2-ND1 2.97Å; D267-H287 VanDerWaalsContact OD2-ND1 3.08Å
268	L	98.8	Very high	96.3	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	116.6	-178.6	179.3	57.6	0	0	0	110.3	L243 F260 I265 L270 L285 H287 L288 H289	L243-L268 HydrophobicContact CB-CD1 4.19Å; L243-L268 HydrophobicContact CD2-CD1 3.85Å; L243-L268 HydrophobicContact CG-CD1 4.12Å; F260-L268 HydrophobicContact CB-CD2 3.72Å; F260-L268 HydrophobicContact CD1-CD1 4Å; F260-L268 HydrophobicContact CD1-CD2 3.89Å; F260-L268 HydrophobicContact CD2-CD2 3.79Å; F260-L268 HydrophobicContact CE1-CD1 4Å; F260-L268 HydrophobicContact CE1-CD2 4.45Å; F260-L268 HydrophobicContact CE2-CD2 4.38Å; F260-L268 HydrophobicContact CG-CD1 4.47Å; F260-L268 HydrophobicContact CG-CD2 3.52Å; F260-L268 HydrophobicContact CZ-CD1 4.48Å; I265-L268 HydrophobicContact CG2-CB 4.02Å; L268-L270 HydrophobicContact CD1-CD1 4.07Å; L268-L270 HydrophobicContact CD1-CD2 4.34Å; L268-L270 HydrophobicContact CD1-CG 3.95Å; L268-L270 HydrophobicContact CD2-CD1 3.84Å; L268-L270 HydrophobicContact CG-CD1 3.84Å; L268-L270 HydrophobicContact CG-CG 4.02Å; L268-L285 HydrophobicContact CB-CD1 3.74Å; L268-L285 HydrophobicContact CB-CD2 4.3Å; L268-L285 HydrophobicContact CD2-CD2 4.41Å; L268-H287 PolarHBondContact N-O 2.82Å; L268-L288 HydrophobicContact CB-CD1 4.06Å; L268-L288 HydrophobicContact CD2-CD1 3.89Å; L268-L288 HydrophobicContact CG-CD1 3.93Å; L268-L288 WeakPolarHBondContact O-CA 3.42Å; L268-H289 PolarHBondContact O-N 3.45Å
269	Q	98.8	Very high	96.4	Very high	28 Å²	28	29.8 Å²	29.8	13%	0.131	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	113.7	-179.5	-43.5	-169.7	4.6	0	0	111.2	L243 R244 L245 N246 D267 H289	L243-Q269 PolarHBondContact O-N 2.92Å; R244-Q269 HydrophobicContact CB-CB 4.46Å; R244-Q269 HydrophobicContact CG-CB 4.27Å; R244-Q269 HydrophobicContact CG-CG 4.02Å; L245-Q269 CarbonylContact C-O 3.57Å; L245-Q269 WeakPolarHBondContact CA-O 3.38Å; L245-Q269 PolarHBondContact N-O 2.82Å; N246-Q269 VanDerWaalsContact ND2-CB 3.3Å; N246-Q269 WeakPolarHBondContact ND2-CB 3.4Å; N246-Q269 PolarHBondContact ND2-OE1 3.17Å; N246-Q269 VanDerWaalsContact OD1-CB 3.24Å; N246-Q269 WeakPolarHBondContact OD1-CB 3.28Å; D267-Q269 WeakPolarHBondContact OD1-CG 3.47Å; D267-Q269 PolarHBondContact OD1-NE2 3.2Å; Q269-H289 HydrophobicContact CB-CB 4.37Å
270	L	98.8	Very high	96.3	Very high	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.187	C	C	.	.			trans	-128.1	18.6	-175.9	-67	168.1	0	0	0	111.6	L245 N246 L250 F260 L268 N273 L275 P279 H289 L290 N293	L245-L270 HydrophobicContact CB-CD2 3.88Å; L245-L270 HydrophobicContact CD1-CD2 4.12Å; N246-L270 PolarHBondContact OD1-N 2.74Å; L250-L270 HydrophobicContact CD1-CD2 3.79Å; F260-L270 HydrophobicContact CD2-CD1 4.12Å; F260-L270 HydrophobicContact CE2-CD1 3.52Å; F260-L270 HydrophobicContact CE2-CD2 4.33Å; F260-L270 HydrophobicContact CZ-CD1 3.86Å; F260-L270 HydrophobicContact CZ-CD2 3.86Å; F260-L270 HydrophobicContact CZ-CG 4.46Å; L268-L270 HydrophobicContact CD1-CD1 4.07Å; L268-L270 HydrophobicContact CD1-CD2 4.34Å; L268-L270 HydrophobicContact CD1-CG 3.95Å; L268-L270 HydrophobicContact CD2-CD1 3.84Å; L268-L270 HydrophobicContact CG-CD1 3.84Å; L268-L270 HydrophobicContact CG-CG 4.02Å; L270-N273 PolarHBondContact O-ND2 3.19Å; L270-L275 HydrophobicContact CB-CD1 4.32Å; L270-L275 HydrophobicContact CD1-CD1 4.28Å; L270-P279 HydrophobicContact CD1-CG 4.34Å; L270-H289 CarbonylContact C-O 3.18Å; L270-H289 WeakPolarHBondContact CA-O 3.47Å; L270-H289 PolarHBondContact N-O 2.87Å; L270-L290 HydrophobicContact CB-CD2 3.87Å; L270-L290 HydrophobicContact CD1-CD2 4Å; L270-N293 PolarHBondContact O-ND2 3.18Å
271	S	98.8	Very high	96.2	Very high	7 Å²	7	35.8 Å²	35.8	5%	0.049	19%	0.187	C	C	.	.			trans	-60	151.4	180	-49.8	0	0	0	0	111.5	N246 H247 N273 H289 D291	N246-S271 CarbonylContact C-O 3.25Å; N246-S271 WeakPolarHBondContact CA-O 3.45Å; N246-S271 VanDerWaalsContact OD1-CB 3.3Å; N246-S271 WeakPolarHBondContact OD1-CB 3.46Å; N246-S271 PolarHBondContact OD1-N 2.79Å; N246-S271 PolarHBondContact OD1-OG 3.27Å; H247-S271 PolarHBondContact N-O 3.36Å; S271-N273 PolarHBondContact O-N 3.32Å; S271-N273 PolarHBondContact O-ND2 3.07Å; S271-H289 PolarHBondContact N-O 3.21Å; S271-H289 VanDerWaalsContact OG-CB 3.31Å; S271-H289 WeakPolarHBondContact OG-CB 3.33Å; S271-D291 CarbonylContact C-O 3.58Å; S271-D291 WeakPolarHBondContact CA-O 3.48Å; S271-D291 WeakPolarHBondContact CB-OD1 3.3Å; S271-D291 WeakPolarHBondContact CB-OD2 3.4Å; S271-D291 VanDerWaalsContact OG-CG 3.28Å; S271-D291 PolarHBondContact OG-OD1 3.41Å
272	H	98.8	Very high	96.2	Very high	67 Å²	67	34.5 Å²	34.5	31%	0.31	18%	0.18	S	C	.	.	S	Bend	trans	55.3	52.5	179	-62.4	-87.6	0	0	0	113.1	H247 N248 D291 H292	H247-H272 WeakPolarHBondContact CA-O 3.34Å; H247-H272 HydrophobicContact CB-CB 4.38Å; H247-H272 AromaticContact CE1-CD2 3.21Å; H247-H272 PolarHBondContact CE1-CD2 2.88Å; H247-H272 AromaticContact CE1-CE1 3.89Å; H247-H272 AromaticContact CE1-CG 3.23Å; H247-H272 AromaticContact CE1-ND1 3.67Å; H247-H272 AromaticContact CE1-NE2 3.62Å; H247-H272 PolarHBondContact N-O 3.07Å; H247-H272 WeakPolarHBondContact ND1-CB 3.32Å; H247-H272 AromaticContact ND1-CD2 3.93Å; H247-H272 AromaticContact ND1-CG 3.54Å; H247-H272 AromaticContact NE2-CD2 3.31Å; H247-H272 PolarHBondContact NE2-CD2 3.06Å; H247-H272 VanDerWaalsContact NE2-CD2 3.31Å; H247-H272 AromaticContact NE2-CG 3.74Å; H247-H272 AromaticContact NE2-NE2 3.89Å; N248-H272 PolarHBondContact N-O 3.36Å; H272-D291 PolarHBondContact N-O 3Å; H272-H292 VanDerWaalsContact CA-O 3.26Å; H272-H292 WeakPolarHBondContact CA-O 3.28Å; H272-H292 HydrophobicContact CB-CB 4.5Å; H272-H292 VanDerWaalsContact CE1-CB 3.41Å; H272-H292 WeakPolarHBondContact CE1-CB 3.47Å; H272-H292 AromaticContact CE1-CD2 3.68Å; H272-H292 AromaticContact CE1-CG 3.26Å; H272-H292 AromaticContact CE1-ND1 3.61Å; H272-H292 PolarHBondContact N-O 2.84Å; H272-H292 VanDerWaalsContact ND1-CB 3.32Å; H272-H292 WeakPolarHBondContact ND1-CB 3.14Å; H272-H292 AromaticContact ND1-CG 3.75Å; H272-H292 AromaticContact NE2-CG 3.63Å; H272-H292 AromaticContact NE2-ND1 3.5Å
273	N	98.8	Very high	96.1	Very high	10 Å²	10	34.6 Å²	34.6	5%	0.053	18%	0.183	C	C	.	.	S	Bend	trans	-118.9	-160.1	170.5	-84.2	-78.7	0	0	0	109.8	L245 N248 K249 L250 L270 S271 L275 N293	L245-N273 PolarHBondContact O-ND2 3.02Å; N248-N273 WeakPolarHBondContact CA-OD1 3.26Å; N248-N273 WeakPolarHBondContact CB-OD1 3.29Å; N248-N273 PolarHBondContact N-OD1 3.25Å; N248-N273 PolarHBondContact O-OD1 3.25Å; K249-N273 PolarHBondContact N-OD1 3.35Å; L250-N273 HydrophobicContact CB-CB 4.24Å; L250-N273 WeakPolarHBondContact CB-OD1 3.09Å; L250-N273 PolarHBondContact N-OD1 2.74Å; L270-N273 PolarHBondContact O-ND2 3.19Å; S271-N273 PolarHBondContact O-N 3.32Å; S271-N273 PolarHBondContact O-ND2 3.07Å; N273-L275 HydrophobicContact CB-CG 4.4Å; N273-N293 VanDerWaalsContact CA-OD1 3.26Å; N273-N293 WeakPolarHBondContact CA-OD1 3.41Å; N273-N293 WeakPolarHBondContact CB-OD1 3.38Å; N273-N293 PolarHBondContact N-OD1 3.42Å; N273-N293 PolarHBondContact O-OD1 2.68Å
274	Q	98.2	Very high	96	Very high	76 Å²	76	34.5 Å²	34.5	36%	0.355	18%	0.176	S	C	.	.			trans	-122.2	27.5	-177.4	-54	-178	49.6	0	0	111.8	L250 N293	L250-Q274 CarbonylContact O-C 3.09Å; L250-Q274 VanDerWaalsContact O-C 3.29Å; L250-Q274 VanDerWaalsContact O-CA 3.28Å; L250-Q274 WeakPolarHBondContact O-CA 3.43Å; L250-Q274 WeakPolarHBondContact O-CB 3.44Å; L250-Q274 PolarHBondContact O-N 2.94Å; Q274-N293 PolarHBondContact N-OD1 2.98Å
275	L	97.4	Very high	95.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.169	C	C	.	.			trans	-68.5	134.7	-179.9	-59.2	176.7	0	0	0	110.4	L250 D252 L255 L270 N273 L290 N293 K294 I295	L250-L275 HydrophobicContact CB-CD2 4.43Å; L250-L275 PolarHBondContact O-N 2.76Å; D252-L275 WeakPolarHBondContact OD1-CA 3.5Å; L255-L275 HydrophobicContact CD1-CD2 3.78Å; L255-L275 HydrophobicContact CD2-CD2 4.29Å; L255-L275 HydrophobicContact CG-CD2 4.06Å; L270-L275 HydrophobicContact CB-CD1 4.32Å; L270-L275 HydrophobicContact CD1-CD1 4.28Å; N273-L275 HydrophobicContact CB-CG 4.4Å; L275-L290 HydrophobicContact CD1-CD2 3.67Å; L275-N293 HydrophobicContact CB-CB 4.25Å; L275-N293 WeakPolarHBondContact CB-OD1 3.49Å; L275-N293 WeakPolarHBondContact CG-OD1 3.41Å; L275-N293 PolarHBondContact N-OD1 2.75Å; L275-K294 CarbonylContact O-C 3.52Å; L275-K294 VanDerWaalsContact O-CA 3.28Å; L275-K294 WeakPolarHBondContact O-CA 3.48Å; L275-K294 PolarHBondContact O-N 2.73Å; L275-I295 HydrophobicContact CB-CG1 4.46Å; L275-I295 PolarHBondContact O-N 3.17Å
276	T	95.4	Very high	95.8	Very high	60 Å²	60	37 Å²	37	37%	0.368	19%	0.185	S	C	.	.			trans	-108.2	-16	176.4	74.9	0	0	0	0	112.9	D252 K294 I295	D252-T276 PolarHBondContact OD1-N 3.19Å; D252-T276 WeakPolarHBondContact OD2-CB 3.4Å; D252-T276 PolarHBondContact OD2-N 3.36Å; D252-T276 PolarHBondContact OD2-OG1 2.86Å; T276-K294 WeakPolarHBondContact CA-O 3.32Å; T276-K294 HydrophobicContact CG2-CB 4.1Å; T276-I295 WeakPolarHBondContact O-CA 3.16Å
277	N	92.2	Very high	95.8	Very high	89 Å²	89	37.3 Å²	37.3	48%	0.476	19%	0.185	S	C	.	.	B	Isolated β-bridge	trans	-123.5	154.6	176.3	-66.9	-72.3	0	0	0	110.7	D252	D252-N277 PolarHBondContact OD1-N 2.79Å; D252-N277 PolarHBondContact OD2-N 2.66Å; D252-N277 VanDerWaalsContact OD2-N 3.17Å; D252-N277 PolarHBondContact OD2-ND2 3.39Å
278	F	91.1	Very high	95.7	Very high	12 Å²	12	36.6 Å²	36.6	5%	0.053	18%	0.181	C	C	.	.	P	Polyproline II helix	trans	-68.7	125.5	170.8	-164.7	-75.2	0	0	0	109.4	I281 L288 L290 I303 L324 L326	F278-I281 HydrophobicContact CE1-CD1 4.17Å; F278-I281 HydrophobicContact CE1-CG1 4.38Å; F278-I281 HydrophobicContact CE1-CG2 4.35Å; F278-I281 HydrophobicContact CZ-CD1 4.44Å; F278-L288 HydrophobicContact CE1-CD2 3.94Å; F278-L288 HydrophobicContact CE2-CD2 4.12Å; F278-L288 HydrophobicContact CZ-CD2 3.39Å; F278-L290 HydrophobicContact CD2-CD1 3.75Å; F278-L290 HydrophobicContact CE2-CD1 3.63Å; F278-L290 HydrophobicContact CG-CD1 4.31Å; F278-L290 HydrophobicContact CZ-CD1 4.08Å; F278-I303 HydrophobicContact CB-CD1 4.09Å; F278-I303 HydrophobicContact CB-CG1 3.91Å; F278-I303 HydrophobicContact CD1-CB 4.31Å; F278-I303 HydrophobicContact CD1-CD1 4.29Å; F278-I303 HydrophobicContact CD1-CG1 3.52Å; F278-I303 HydrophobicContact CD1-CG2 4.29Å; F278-I303 HydrophobicContact CD2-CD1 3.97Å; F278-I303 HydrophobicContact CD2-CG1 4.1Å; F278-I303 HydrophobicContact CE1-CB 4.31Å; F278-I303 HydrophobicContact CE1-CG1 3.96Å; F278-I303 HydrophobicContact CE1-CG2 3.83Å; F278-I303 HydrophobicContact CE2-CD1 4.42Å; F278-I303 HydrophobicContact CE2-CG1 4.47Å; F278-I303 HydrophobicContact CE2-CG2 4.38Å; F278-I303 HydrophobicContact CG-CD1 3.88Å; F278-I303 HydrophobicContact CG-CG1 3.59Å; F278-I303 HydrophobicContact CZ-CG1 4.39Å; F278-I303 HydrophobicContact CZ-CG2 3.87Å; F278-L324 HydrophobicContact CE2-CD1 4.02Å; F278-L324 HydrophobicContact CE2-CD2 4.33Å; F278-L324 HydrophobicContact CZ-CD1 4.34Å; F278-L326 HydrophobicContact CD2-CD2 4.47Å; F278-L326 HydrophobicContact CE2-CD2 4.49Å
279	P	92.4	Very high	95.7	Very high	7 Å²	7	38.1 Å²	38.1	5%	0.045	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-73.6	147.7	-177.7	31.1	-35.6	0	0	0	111.4	L255 F260 L270 I281 L290	L255-P279 HydrophobicContact CD1-CB 3.79Å; F260-P279 HydrophobicContact CD2-CB 3.97Å; F260-P279 HydrophobicContact CD2-CG 4.34Å; F260-P279 HydrophobicContact CE2-CB 4.23Å; L270-P279 HydrophobicContact CD1-CG 4.34Å; P279-I281 PolarHBondContact O-N 2.83Å; P279-L290 HydrophobicContact CG-CD1 4.43Å; P279-L290 HydrophobicContact CG-CD2 4.17Å
280	R	91.4	Very high	95.6	Very high	136 Å²	136	36.8 Å²	36.8	51%	0.513	18%	0.182	S	C	.	.	P	Polyproline II helix	trans	-60.1	134	170.3	-178.4	175.5	172.2	160.2	-1.5	109.9	F260 D261	F260-R280 CarbonylContact C-O 3.51Å; F260-R280 WeakPolarHBondContact CA-O 3.31Å; F260-R280 PolarHBondContact N-O 3.05Å; D261-R280 HydrophobicContact CB-CG 4.36Å; D261-R280 IonicContact OD2-CZ 3.34Å; D261-R280 IonicContact OD2-NE 3.17Å; D261-R280 PolarHBondContact OD2-NE 3.38Å; D261-R280 IonicContact OD2-NH2 2.76Å; D261-R280 PolarHBondContact OD2-NH2 3.13Å
281	I	93.1	Very high	95.6	Very high	4 Å²	4	37.1 Å²	37.1	2%	0.021	18%	0.184	C	C	.	.	B	Isolated β-bridge	trans	-126.1	159	-179.6	59.2	170.9	0	0	0	111.3	F278 P279 L285 L288 F343	F278-I281 HydrophobicContact CE1-CD1 4.17Å; F278-I281 HydrophobicContact CE1-CG1 4.38Å; F278-I281 HydrophobicContact CE1-CG2 4.35Å; F278-I281 HydrophobicContact CZ-CD1 4.44Å; P279-I281 PolarHBondContact O-N 2.83Å; I281-L285 HydrophobicContact CB-CD2 3.96Å; I281-L285 HydrophobicContact CD1-CD2 4.06Å; I281-L285 HydrophobicContact CG2-CD2 3.78Å; I281-L288 HydrophobicContact CD1-CD2 4.31Å; I281-L288 HydrophobicContact CG2-CD2 4.14Å; I281-F343 HydrophobicContact CD1-CE1 4.38Å; I281-F343 HydrophobicContact CD1-CZ 4.19Å
282	N	93.1	Very high	95.5	Very high	28 Å²	28	40.4 Å²	40.4	15%	0.15	20%	0.198	C	C	.	.			trans	-82	152.5	170.9	-168.2	-91.4	0	0	0	111.8	F260 D261 V262 N284 L285	F260-N282 PolarHBondContact O-N 2.78Å; D261-N282 PolarHBondContact OD1-ND2 3.12Å; V262-N282 WeakPolarHBondContact O-CB 2.92Å; N282-N284 PolarHBondContact O-N 2.97Å; N282-N284 WeakPolarHBondContact OD1-CB 3.49Å; N282-N284 PolarHBondContact OD1-N 3.09Å; N282-L285 WeakPolarHBondContact O-CB 3.28Å; N282-L285 PolarHBondContact O-N 3.04Å
283	A	91.8	Very high	95.5	Very high	24 Å²	24	37.7 Å²	37.7	20%	0.198	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.4	177.8	0	0	0	0	0	114.3	L285 P305 P319 Q320	A283-L285 VanDerWaalsContact C-N 3.33Å; A283-P305 HydrophobicContact CB-CB 4.21Å; A283-P305 HydrophobicContact CB-CG 3.79Å; A283-P319 CarbonylContact O-C 3.48Å; A283-P319 WeakPolarHBondContact O-CA 3.34Å; A283-Q320 WeakPolarHBondContact O-CB 3.49Å; A283-Q320 PolarHBondContact O-N 2.89Å
284	N	93.5	Very high	95.5	Very high	74 Å²	74	41.6 Å²	41.6	40%	0.396	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-11.5	178.9	-67.5	-12.4	0	0	0	114.2	S263 N282 Q286	S263-N284 PolarHBondContact O-ND2 3.37Å; N282-N284 PolarHBondContact O-N 2.97Å; N282-N284 WeakPolarHBondContact OD1-CB 3.49Å; N282-N284 PolarHBondContact OD1-N 3.09Å; N284-Q286 PolarHBondContact O-N 3.1Å
285	L	95.6	Very high	95.3	Very high	6 Å²	6	38 Å²	38	3%	0.031	19%	0.185	C	C	.	.			trans	-63.5	132.8	-176.8	-173.3	69.2	0	0	0	110.6	I265 L268 I281 N282 A283 L288 Q320 L321	I265-L285 HydrophobicContact CB-CD1 4.45Å; I265-L285 HydrophobicContact CG2-CD1 3.69Å; L268-L285 HydrophobicContact CB-CD1 3.74Å; L268-L285 HydrophobicContact CB-CD2 4.3Å; L268-L285 HydrophobicContact CD2-CD2 4.41Å; I281-L285 HydrophobicContact CB-CD2 3.96Å; I281-L285 HydrophobicContact CD1-CD2 4.06Å; I281-L285 HydrophobicContact CG2-CD2 3.78Å; N282-L285 WeakPolarHBondContact O-CB 3.28Å; N282-L285 PolarHBondContact O-N 3.04Å; A283-L285 VanDerWaalsContact C-N 3.33Å; L285-L288 HydrophobicContact CD2-CB 4Å; L285-L288 HydrophobicContact CD2-CD1 4.23Å; L285-L288 HydrophobicContact CD2-CD2 4.16Å; L285-L288 HydrophobicContact CD2-CG 4.37Å; L285-Q320 CarbonylContact O-C 3.14Å; L285-L321 HydrophobicContact CD2-CD1 4.18Å; L285-L321 HydrophobicContact CG-CD1 4.11Å; L285-L321 WeakPolarHBondContact O-CA 3.33Å; L285-L321 PolarHBondContact O-N 3.21Å
286	Q	96.2	Very high	94.9	Very high	76 Å²	76	43.3 Å²	43.3	36%	0.355	21%	0.209	S	C	.	.			trans	-105.3	-45.4	-176.1	-61	-179.7	5.9	0	0	111.9	L266 N284 Q320 L321 S322 Y323	L266-Q286 HydrophobicContact CD2-CG 4.49Å; L266-Q286 WeakPolarHBondContact O-CA 3.49Å; L266-Q286 WeakPolarHBondContact O-CB 3.47Å; L266-Q286 PolarHBondContact O-N 3.4Å; N284-Q286 PolarHBondContact O-N 3.1Å; Q286-Q320 HydrophobicContact CG-CB 4.39Å; Q286-L321 WeakPolarHBondContact O-CD1 3.39Å; Q286-S322 PolarHBondContact O-N 2.95Å; Q286-S322 PolarHBondContact O-OG 3.33Å; Q286-Y323 PolarHBondContact O-N 2.98Å; Q286-Y323 VanDerWaalsContact O-N 3.12Å
287	H	98.3	Very high	94.2	Very high	64 Å²	64	46 Å²	46	30%	0.296	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	129.9	-179.7	-53.3	152.7	0	0	0	111.1	L266 D267 L268 S322	L266-H287 PolarHBondContact O-N 3.14Å; D267-H287 HydrophobicContact CB-CB 4.49Å; D267-H287 IonicContact OD2-CG 2.94Å; D267-H287 IonicContact OD2-ND1 3.93Å; D267-H287 PolarHBondContact OD2-ND1 2.97Å; D267-H287 VanDerWaalsContact OD2-ND1 3.08Å; L268-H287 PolarHBondContact N-O 2.82Å; H287-S322 PolarHBondContact CD2-OG 3.25Å
288	L	97.4	Very high	93.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	119.6	177.1	-178.5	54.9	0	0	0	111.2	L268 F278 I281 L285 L290 L321 Y323 L324 R325	L268-L288 HydrophobicContact CB-CD1 4.06Å; L268-L288 HydrophobicContact CD2-CD1 3.89Å; L268-L288 HydrophobicContact CG-CD1 3.93Å; L268-L288 WeakPolarHBondContact O-CA 3.42Å; F278-L288 HydrophobicContact CE1-CD2 3.94Å; F278-L288 HydrophobicContact CE2-CD2 4.12Å; F278-L288 HydrophobicContact CZ-CD2 3.39Å; I281-L288 HydrophobicContact CD1-CD2 4.31Å; I281-L288 HydrophobicContact CG2-CD2 4.14Å; L285-L288 HydrophobicContact CD2-CB 4Å; L285-L288 HydrophobicContact CD2-CD1 4.23Å; L285-L288 HydrophobicContact CD2-CD2 4.16Å; L285-L288 HydrophobicContact CD2-CG 4.37Å; L288-L290 HydrophobicContact CD1-CD1 4.16Å; L288-L290 HydrophobicContact CD1-CD2 4.48Å; L288-L290 HydrophobicContact CD1-CG 3.91Å; L288-L290 HydrophobicContact CD2-CD1 3.73Å; L288-L290 HydrophobicContact CD2-CG 4.37Å; L288-L290 HydrophobicContact CG-CD1 3.86Å; L288-L290 HydrophobicContact CG-CG 3.96Å; L288-L321 HydrophobicContact CB-CD1 3.79Å; L288-Y323 PolarHBondContact N-O 3.22Å; L288-L324 HydrophobicContact CB-CD1 4.07Å; L288-L324 HydrophobicContact CD2-CD1 3.96Å; L288-L324 HydrophobicContact CG-CD1 4Å; L288-L324 WeakPolarHBondContact O-CA 3.37Å; L288-R325 PolarHBondContact O-N 2.96Å
289	H	98.4	Very high	92.8	Very high	32 Å²	32	45.7 Å²	45.7	15%	0.148	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119	172.9	-59.2	-110.2	0	0	0	110.1	L268 Q269 L270 S271 Y323	L268-H289 PolarHBondContact O-N 3.45Å; Q269-H289 HydrophobicContact CB-CB 4.37Å; L270-H289 CarbonylContact C-O 3.18Å; L270-H289 WeakPolarHBondContact CA-O 3.47Å; L270-H289 PolarHBondContact N-O 2.87Å; S271-H289 PolarHBondContact N-O 3.21Å; S271-H289 VanDerWaalsContact OG-CB 3.31Å; S271-H289 WeakPolarHBondContact OG-CB 3.33Å; H289-Y323 AromaticContact CE1-CE1 3.28Å; H289-Y323 WeakPolarHBondContact CE1-CE1 3.42Å; H289-Y323 AromaticContact CE1-CZ 3.99Å; H289-Y323 AromaticContact ND1-CE1 3.75Å; H289-Y323 AromaticContact NE2-CD1 3.88Å; H289-Y323 AromaticContact NE2-CE1 3.62Å
290	L	97.5	Very high	91.9	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	23%	0.227	C	C	.	.			trans	-131.5	11.7	180	-76.8	170.2	0	0	0	111.4	L270 L275 F278 P279 L288 N293 I295 R325 L326 N329	L270-L290 HydrophobicContact CB-CD2 3.87Å; L270-L290 HydrophobicContact CD1-CD2 4Å; L275-L290 HydrophobicContact CD1-CD2 3.67Å; F278-L290 HydrophobicContact CD2-CD1 3.75Å; F278-L290 HydrophobicContact CE2-CD1 3.63Å; F278-L290 HydrophobicContact CG-CD1 4.31Å; F278-L290 HydrophobicContact CZ-CD1 4.08Å; P279-L290 HydrophobicContact CG-CD1 4.43Å; P279-L290 HydrophobicContact CG-CD2 4.17Å; L288-L290 HydrophobicContact CD1-CD1 4.16Å; L288-L290 HydrophobicContact CD1-CD2 4.48Å; L288-L290 HydrophobicContact CD1-CG 3.91Å; L288-L290 HydrophobicContact CD2-CD1 3.73Å; L288-L290 HydrophobicContact CD2-CG 4.37Å; L288-L290 HydrophobicContact CG-CD1 3.86Å; L288-L290 HydrophobicContact CG-CG 3.96Å; L290-N293 PolarHBondContact O-ND2 3.27Å; L290-I295 HydrophobicContact CB-CD1 4.16Å; L290-I295 HydrophobicContact CD1-CD1 4.23Å; L290-I295 HydrophobicContact CD2-CD1 4.38Å; L290-R325 CarbonylContact C-O 3.04Å; L290-R325 WeakPolarHBondContact CA-O 3.4Å; L290-R325 PolarHBondContact N-O 2.97Å; L290-L326 HydrophobicContact CB-CD2 3.68Å; L290-L326 HydrophobicContact CD1-CD2 4.03Å; L290-N329 PolarHBondContact O-ND2 3.24Å
291	D	97.8	Very high	90.8	Very high	7 Å²	7	45.7 Å²	45.7	4%	0.037	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	154	179.5	58	-77.4	0	0	0	112.7	S271 H272 N293 R325 D327	S271-D291 CarbonylContact C-O 3.58Å; S271-D291 WeakPolarHBondContact CA-O 3.48Å; S271-D291 WeakPolarHBondContact CB-OD1 3.3Å; S271-D291 WeakPolarHBondContact CB-OD2 3.4Å; S271-D291 VanDerWaalsContact OG-CG 3.28Å; S271-D291 PolarHBondContact OG-OD1 3.41Å; H272-D291 PolarHBondContact N-O 3Å; D291-N293 VanDerWaalsContact C-N 3.29Å; D291-N293 PolarHBondContact O-N 3.34Å; D291-N293 PolarHBondContact O-ND2 3.21Å; D291-R325 HydrophobicContact CB-CG 3.99Å; D291-R325 PolarHBondContact N-O 3.15Å; D291-R325 WeakPolarHBondContact OD1-CD 3.24Å; D291-R325 IonicContact OD1-NE 2.73Å; D291-D327 CarbonylContact C-O 3.6Å; D291-D327 WeakPolarHBondContact CA-O 3.3Å; D291-D327 WeakPolarHBondContact CB-O 3.45Å; D291-D327 WeakPolarHBondContact CB-OD1 3.39Å
292	H	98.2	Very high	89.6	Confident	77 Å²	77	49 Å²	49	36%	0.356	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	55.4	42	-179.8	-57.4	88.9	0	0	0	113.5	H272 D327 G328	H272-H292 VanDerWaalsContact CA-O 3.26Å; H272-H292 WeakPolarHBondContact CA-O 3.28Å; H272-H292 HydrophobicContact CB-CB 4.5Å; H272-H292 VanDerWaalsContact CE1-CB 3.41Å; H272-H292 WeakPolarHBondContact CE1-CB 3.47Å; H272-H292 AromaticContact CE1-CD2 3.68Å; H272-H292 AromaticContact CE1-CG 3.26Å; H272-H292 AromaticContact CE1-ND1 3.61Å; H272-H292 PolarHBondContact N-O 2.84Å; H272-H292 VanDerWaalsContact ND1-CB 3.32Å; H272-H292 WeakPolarHBondContact ND1-CB 3.14Å; H272-H292 AromaticContact ND1-CG 3.75Å; H272-H292 AromaticContact NE2-CG 3.63Å; H272-H292 AromaticContact NE2-ND1 3.5Å; H292-D327 PolarHBondContact N-O 2.79Å; H292-G328 WeakPolarHBondContact CA-O 3.5Å
293	N	98.3	Very high	88.7	Confident	9 Å²	9	47.8 Å²	47.8	5%	0.048	25%	0.252	C	S	.	.	S	Bend	trans	-104.4	-159.2	166.8	-83.7	-83.7	0	0	0	109.9	L270 N273 Q274 L275 L290 D291 I295 N329	L270-N293 PolarHBondContact O-ND2 3.18Å; N273-N293 VanDerWaalsContact CA-OD1 3.26Å; N273-N293 WeakPolarHBondContact CA-OD1 3.41Å; N273-N293 WeakPolarHBondContact CB-OD1 3.38Å; N273-N293 PolarHBondContact N-OD1 3.42Å; N273-N293 PolarHBondContact O-OD1 2.68Å; Q274-N293 PolarHBondContact N-OD1 2.98Å; L275-N293 HydrophobicContact CB-CB 4.25Å; L275-N293 WeakPolarHBondContact CB-OD1 3.49Å; L275-N293 WeakPolarHBondContact CG-OD1 3.41Å; L275-N293 PolarHBondContact N-OD1 2.75Å; L290-N293 PolarHBondContact O-ND2 3.27Å; D291-N293 VanDerWaalsContact C-N 3.29Å; D291-N293 PolarHBondContact O-N 3.34Å; D291-N293 PolarHBondContact O-ND2 3.21Å; N293-I295 HydrophobicContact CB-CD1 4.34Å; N293-I295 HydrophobicContact CB-CG1 4.16Å; N293-N329 VanDerWaalsContact CA-OD1 3.29Å; N293-N329 WeakPolarHBondContact CA-OD1 3.37Å; N293-N329 WeakPolarHBondContact CB-OD1 3.19Å; N293-N329 PolarHBondContact N-OD1 3.28Å; N293-N329 PolarHBondContact O-OD1 3.43Å
294	K	97.2	Very high	88.1	Confident	92 Å²	92	47.8 Å²	47.8	40%	0.4	25%	0.25	S	C	.	.			trans	-120.5	29	178.1	-60.7	178.6	-177	172.8	0	111.6	L275 T276 K296 N329	L275-K294 CarbonylContact O-C 3.52Å; L275-K294 VanDerWaalsContact O-CA 3.28Å; L275-K294 WeakPolarHBondContact O-CA 3.48Å; L275-K294 PolarHBondContact O-N 2.73Å; T276-K294 WeakPolarHBondContact CA-O 3.32Å; T276-K294 HydrophobicContact CG2-CB 4.1Å; K294-K296 PolarHBondContact O-N 3.26Å; K294-N329 PolarHBondContact N-OD1 3.32Å
295	I	94.3	Very high	87	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	25%	0.247	C	C	.	.			trans	-69.2	126.4	-175.6	-59.8	170.3	0	0	0	108.8	L275 T276 L290 N293 L326 N329 E330 I331	L275-I295 HydrophobicContact CB-CG1 4.46Å; L275-I295 PolarHBondContact O-N 3.17Å; T276-I295 WeakPolarHBondContact O-CA 3.16Å; L290-I295 HydrophobicContact CB-CD1 4.16Å; L290-I295 HydrophobicContact CD1-CD1 4.23Å; L290-I295 HydrophobicContact CD2-CD1 4.38Å; N293-I295 HydrophobicContact CB-CD1 4.34Å; N293-I295 HydrophobicContact CB-CG1 4.16Å; I295-L326 HydrophobicContact CD1-CD2 4.24Å; I295-N329 HydrophobicContact CB-CB 4.23Å; I295-N329 VanDerWaalsContact CB-OD1 3.26Å; I295-N329 WeakPolarHBondContact CB-OD1 3.21Å; I295-N329 WeakPolarHBondContact CG1-OD1 3.43Å; I295-N329 PolarHBondContact N-OD1 3.1Å; I295-E330 CarbonylContact O-C 3.29Å; I295-E330 VanDerWaalsContact O-C 3.27Å; I295-E330 WeakPolarHBondContact O-CA 3.45Å; I295-E330 PolarHBondContact O-N 2.75Å; I295-I331 HydrophobicContact CG2-CD1 4.41Å; I295-I331 HydrophobicContact CG2-CG1 4.31Å; I295-I331 WeakPolarHBondContact O-CG1 3.44Å; I295-I331 PolarHBondContact O-N 3.2Å
296	K	90.1	Very high	85.5	Confident	112 Å²	112	49.3 Å²	49.3	49%	0.487	26%	0.263	S	S	.	.			trans	-99.9	-38.5	-179.1	-69	176.6	177.6	176.1	0	113.1	K294 E330	K294-K296 PolarHBondContact O-N 3.26Å; K296-E330 WeakPolarHBondContact CE-OE2 3.41Å; K296-E330 HydrophobicContact CG-CB 3.95Å; K296-E330 IonicContact NZ-OE2 2.83Å
297	N	80.4	Confident	83.5	Confident	117 Å²	117	51.5 Å²	51.5	63%	0.626	28%	0.282	S	S	*	.	B	Isolated β-bridge	trans	-132.7	139.8	-172.8	-61.6	-46.8	0	0	0	110.1
298	V	78.9	Confident	81.3	Confident	9 Å²	9	54.4 Å²	54.4	6%	0.055	30%	0.299	C	S	.	.			trans	-109.2	84.2	179.4	-171.8	0	0	0	0	106.9	I300 I303 L326 I331 P336 I339	V298-I300 PolarHBondContact O-N 3.42Å; V298-I303 HydrophobicContact CB-CD1 4.04Å; V298-I303 HydrophobicContact CG1-CD1 3.09Å; V298-L326 HydrophobicContact CG2-CD1 4.22Å; V298-I331 HydrophobicContact CG2-CD1 3.66Å; V298-I331 HydrophobicContact CG2-CG1 4.11Å; V298-I331 HydrophobicContact CG2-CG2 4.17Å; V298-P336 WeakPolarHBondContact O-CG 3.45Å; V298-I339 HydrophobicContact CB-CD1 4.24Å; V298-I339 HydrophobicContact CG1-CD1 3.36Å; V298-I339 HydrophobicContact CG1-CG1 4.23Å
299	N	74.3	Confident	79	Confident	86 Å²	86	65.2 Å²	65.2	46%	0.46	34%	0.339	S	S	.	.			trans	-80.5	108.1	-174.9	-175.9	-14.4	0	0	0	111.3	S301 V302 I303	N299-S301 VanDerWaalsContact C-N 3.25Å; N299-S301 PolarHBondContact O-N 3.25Å; N299-S301 PolarHBondContact OD1-N 3.29Å; N299-S301 VanDerWaalsContact OD1-N 3.14Å; N299-V302 HydrophobicContact CB-CB 4.42Å; N299-V302 HydrophobicContact CB-CG2 4.1Å; N299-V302 WeakPolarHBondContact O-CB 3.38Å; N299-V302 PolarHBondContact O-N 3.29Å; N299-I303 WeakPolarHBondContact O-CD1 3.46Å; N299-I303 WeakPolarHBondContact O-CG1 3.47Å; N299-I303 PolarHBondContact O-N 2.54Å; N299-I303 VanDerWaalsContact O-N 3.15Å
300	I	73.6	Confident	76.5	Confident	37 Å²	37	68 Å²	68	19%	0.19	37%	0.369	C	S	.	.	H	α-helix	trans	-57.1	-35.1	-175.4	-166.8	63	0	0	0	113.9	V298 V302 I303 C304 D338 I339 C342	V298-I300 PolarHBondContact O-N 3.42Å; I300-V302 PolarHBondContact O-N 3.31Å; I300-I303 PolarHBondContact O-N 3.26Å; I300-I303 VanDerWaalsContact O-N 3.14Å; I300-C304 HydrophobicContact CD1-CB 4.4Å; I300-C304 WeakPolarHBondContact O-CB 3.46Å; I300-C304 PolarHBondContact O-N 3.31Å; I300-D338 HydrophobicContact CB-CB 4.42Å; I300-D338 HydrophobicContact CD1-CB 4.32Å; I300-D338 HydrophobicContact CG1-CB 3.88Å; I300-I339 HydrophobicContact CD1-CG1 4.08Å; I300-C342 HydrophobicContact CD1-CB 3.95Å
301	S	69.8	Low	74.4	Confident	105 Å²	105	77.3 Å²	77.3	73%	0.734	41%	0.412	S	S	*	.	H	α-helix	trans	-65.9	-20.1	179.4	-56.2	0	0	0	0	113	N299	N299-S301 VanDerWaalsContact C-N 3.25Å; N299-S301 PolarHBondContact O-N 3.25Å; N299-S301 PolarHBondContact OD1-N 3.29Å; N299-S301 VanDerWaalsContact OD1-N 3.14Å
302	V	68	Low	72.1	Confident	75 Å²	75	85.7 Å²	85.7	46%	0.455	45%	0.451	S	S	.	.	H	α-helix	trans	-93.9	-31.7	176.2	-179.8	0	0	0	0	111	N299 I300	N299-V302 HydrophobicContact CB-CB 4.42Å; N299-V302 HydrophobicContact CB-CG2 4.1Å; N299-V302 WeakPolarHBondContact O-CB 3.38Å; N299-V302 PolarHBondContact O-N 3.29Å; I300-V302 PolarHBondContact O-N 3.31Å
303	I	72.8	Confident	69.9	Low	2 Å²	2	86.6 Å²	86.6	1%	0.01	46%	0.458	C	S	.	.	H	α-helix	trans	-84.7	-38.3	-170.8	-65	167.7	0	0	0	111.7	F278 V298 N299 I300 P305 F343	F278-I303 HydrophobicContact CB-CD1 4.09Å; F278-I303 HydrophobicContact CB-CG1 3.91Å; F278-I303 HydrophobicContact CD1-CB 4.31Å; F278-I303 HydrophobicContact CD1-CD1 4.29Å; F278-I303 HydrophobicContact CD1-CG1 3.52Å; F278-I303 HydrophobicContact CD1-CG2 4.29Å; F278-I303 HydrophobicContact CD2-CD1 3.97Å; F278-I303 HydrophobicContact CD2-CG1 4.1Å; F278-I303 HydrophobicContact CE1-CB 4.31Å; F278-I303 HydrophobicContact CE1-CG1 3.96Å; F278-I303 HydrophobicContact CE1-CG2 3.83Å; F278-I303 HydrophobicContact CE2-CD1 4.42Å; F278-I303 HydrophobicContact CE2-CG1 4.47Å; F278-I303 HydrophobicContact CE2-CG2 4.38Å; F278-I303 HydrophobicContact CG-CD1 3.88Å; F278-I303 HydrophobicContact CG-CG1 3.59Å; F278-I303 HydrophobicContact CZ-CG1 4.39Å; F278-I303 HydrophobicContact CZ-CG2 3.87Å; V298-I303 HydrophobicContact CB-CD1 4.04Å; V298-I303 HydrophobicContact CG1-CD1 3.09Å; N299-I303 WeakPolarHBondContact O-CD1 3.46Å; N299-I303 WeakPolarHBondContact O-CG1 3.47Å; N299-I303 PolarHBondContact O-N 2.54Å; N299-I303 VanDerWaalsContact O-N 3.15Å; I300-I303 PolarHBondContact O-N 3.26Å; I300-I303 VanDerWaalsContact O-N 3.14Å; I303-P305 WeakPolarHBondContact O-CD 3.17Å; I303-F343 HydrophobicContact CG2-CE2 3.43Å; I303-F343 VanDerWaalsContact CG2-CE2 3.43Å; I303-F343 HydrophobicContact CG2-CZ 3.6Å
304	C	78.8	Confident	67.8	Low	24 Å²	24	87.7 Å²	87.7	16%	0.162	47%	0.468	C	S	.	.			trans	-78.8	110.9	-177.4	-155.5	0	0	0	0	109.6	I300 T306 C342	I300-C304 HydrophobicContact CD1-CB 4.4Å; I300-C304 WeakPolarHBondContact O-CB 3.46Å; I300-C304 PolarHBondContact O-N 3.31Å; C304-T306 PolarHBondContact O-N 3.21Å; C304-T306 PolarHBondContact SG-O 3.47Å; C304-C342 WeakPolarHBondContact CA-SG 3.24Å; C304-C342 HydrophobicContact CB-CB 4Å; C304-C342 WeakPolarHBondContact CB-SG 3.34Å; C304-C342 WeakPolarHBondContact SG-CB 3.29Å; C304-C342 CovalentContact SG-SG 2.04Å; C304-C342 PolarHBondContact SG-SG 2.91Å
305	P	71.1	Confident	65.9	Low	51 Å²	51	89.9 Å²	89.9	33%	0.331	48%	0.478	S	S	.	.	S	Bend	trans	-74.2	-17	-172.1	28.8	-32.1	0	0	0	112.8	A283 I303 P319	A283-P305 HydrophobicContact CB-CB 4.21Å; A283-P305 HydrophobicContact CB-CG 3.79Å; I303-P305 WeakPolarHBondContact O-CD 3.17Å; P305-P319 HydrophobicContact CG-CB 4.03Å; P305-P319 HydrophobicContact CG-CG 3.8Å
306	T	64.4	Low	64.1	Low	61 Å²	61	95.7 Å²	95.7	37%	0.374	51%	0.508	S	S	.	.	S	Bend	trans	-112.3	135	173.4	37.7	0	0	0	0	110.4	C304 L308	C304-T306 PolarHBondContact O-N 3.21Å; C304-T306 PolarHBondContact SG-O 3.47Å; T306-L308 PolarHBondContact O-N 3.08Å
307	T	55	Low	63	Low	121 Å²	121	97.2 Å²	97.2	74%	0.742	52%	0.517	S	S	*	.			trans	-66.3	123.7	162.2	40.9	0	0	0	0	107	R309	T307-R309 PolarHBondContact O-N 3.04Å
308	L	51.8	Low	62.8	Low	126 Å²	126	92 Å²	92	66%	0.66	49%	0.49	S	S	*	.			trans	-56.9	86	173.1	-73.5	158.5	0	0	0	109.1	T306	T306-L308 PolarHBondContact O-N 3.08Å
309	R	47.8	Very low	63.3	Low	226 Å²	226	92 Å²	92	85%	0.853	49%	0.491	S	S	*	.			trans	-114.8	111	168.4	-78.5	-171.4	173	-174.3	-0.5	107.8	T307	T307-R309 PolarHBondContact O-N 3.04Å
310	A	46.2	Very low	64.2	Low	92 Å²	92	90.9 Å²	90.9	76%	0.76	48%	0.483	S	S	*	.			trans	80.6	121.4	170.7	0	0	0	0	0	117.4	Q312	A310-Q312 VanDerWaalsContact C-N 3.31Å; A310-Q312 PolarHBondContact O-N 3.12Å; A310-Q312 VanDerWaalsContact O-N 3.16Å
311	E	52.9	Low	65.1	Low	194 Å²	194	89.1 Å²	89.1	91%	0.907	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	17.6	-165	-66.9	-178.5	134.7	0	0	116.1
312	Q	51.2	Low	66.3	Low	183 Å²	183	85.2 Å²	85.2	86%	0.855	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.4	-22.4	-170.8	-76.7	173.3	-13.7	0	0	116.4	A310	A310-Q312 VanDerWaalsContact C-N 3.31Å; A310-Q312 PolarHBondContact O-N 3.12Å; A310-Q312 VanDerWaalsContact O-N 3.16Å
313	D	52	Low	67.6	Low	96 Å²	96	84.3 Å²	84.3	51%	0.513	44%	0.435	S	S	.	.	S	Bend	trans	-123.9	12.2	-175.7	-65	-41.8	0	0	0	115.5	F315 I316 H317	D313-F315 PolarHBondContact O-N 2.83Å; D313-I316 PolarHBondContact O-N 3.47Å; D313-H317 PolarHBondContact O-N 3.19Å
314	A	54.3	Low	68.6	Low	32 Å²	32	84.3 Å²	84.3	26%	0.264	44%	0.435	S	S	.	.	H	α-helix	trans	-61.9	-18.4	-176.6	0	0	0	0	0	114.5	G318 K344	A314-G318 WeakPolarHBondContact O-CA 3.43Å; A314-G318 PolarHBondContact O-N 3.44Å; A314-G318 VanDerWaalsContact O-N 3.1Å; A314-K344 HydrophobicContact CB-CD 4.3Å
315	F	55.8	Low	69.4	Low	139 Å²	139	86.8 Å²	86.8	61%	0.61	44%	0.441	S	S	*	.	H	α-helix	trans	-80.4	-24.2	173.5	-77.1	-80.5	0	0	0	113.3	D313 K344	D313-F315 PolarHBondContact O-N 2.83Å; F315-K344 HydrophobicContact CD1-CB 4.2Å; F315-K344 HydrophobicContact CD1-CD 4.35Å; F315-K344 HydrophobicContact CD2-CD 4.13Å; F315-K344 HydrophobicContact CE1-CB 3.77Å; F315-K344 HydrophobicContact CE1-CD 3.99Å; F315-K344 HydrophobicContact CE1-CG 4.5Å; F315-K344 HydrophobicContact CE2-CD 3.75Å; F315-K344 HydrophobicContact CG-CD 4.42Å; F315-K344 HydrophobicContact CZ-CB 4.2Å; F315-K344 HydrophobicContact CZ-CD 3.68Å; F315-K344 HydrophobicContact CZ-CG 4.48Å
316	I	56.4	Low	70.5	Confident	121 Å²	121	84.3 Å²	84.3	62%	0.621	43%	0.425	S	S	*	.	H	α-helix	trans	-99.2	-32.6	-178.2	-57.7	177.1	0	0	0	110.7	D313	D313-I316 PolarHBondContact O-N 3.47Å
317	H	67.3	Low	71.9	Confident	144 Å²	144	82.9 Å²	82.9	67%	0.667	42%	0.415	S	S	*	.	H	α-helix	trans	-122.8	9.7	-174.5	-61	-51	0	0	0	114.4	D313	D313-H317 PolarHBondContact O-N 3.19Å
318	G	77.1	Confident	73.8	Confident	7 Å²	7	79.3 Å²	79.3	7%	0.072	40%	0.403	C	S	.	.	S	Bend	trans	-83.9	178.1	179.2	0	0	0	0	0	114.4	A314 Q320	A314-G318 WeakPolarHBondContact O-CA 3.43Å; A314-G318 PolarHBondContact O-N 3.44Å; A314-G318 VanDerWaalsContact O-N 3.1Å; G318-Q320 PolarHBondContact O-NE2 3.15Å
319	P	89.4	Confident	75.9	Confident	10 Å²	10	74.5 Å²	74.5	7%	0.065	38%	0.378	C	S	.	.			trans	-58.3	137.5	174	-22.4	34.5	0	0	0	112.1	A283 P305 F343	A283-P319 CarbonylContact O-C 3.48Å; A283-P319 WeakPolarHBondContact O-CA 3.34Å; P305-P319 HydrophobicContact CG-CB 4.03Å; P305-P319 HydrophobicContact CG-CG 3.8Å; P319-F343 HydrophobicContact CB-CD1 3.59Å; P319-F343 HydrophobicContact CB-CE1 3.65Å; P319-F343 HydrophobicContact CG-CD1 4.4Å; P319-F343 HydrophobicContact CG-CE1 4.36Å
320	Q	92.4	Very high	78.2	Confident	62 Å²	62	68.4 Å²	68.4	29%	0.29	36%	0.358	S	S	.	.			trans	-91.5	4.9	-170.7	-60.5	-61.1	-54.7	0	0	114.4	A283 L285 Q286 G318 S322	A283-Q320 WeakPolarHBondContact O-CB 3.49Å; A283-Q320 PolarHBondContact O-N 2.89Å; L285-Q320 CarbonylContact O-C 3.14Å; Q286-Q320 HydrophobicContact CG-CB 4.39Å; G318-Q320 PolarHBondContact O-NE2 3.15Å; Q320-S322 PolarHBondContact O-N 3.33Å; Q320-S322 VanDerWaalsContact O-N 3.14Å
321	L	92.9	Very high	80.3	Confident	1 Å²	1	65.4 Å²	65.4	1%	0.005	33%	0.329	C	S	.	.			trans	-64.5	116.8	-175.2	-163.8	73.1	0	0	0	110.3	L285 Q286 L288 L324 F343 L345 L346	L285-L321 HydrophobicContact CD2-CD1 4.18Å; L285-L321 HydrophobicContact CG-CD1 4.11Å; L285-L321 WeakPolarHBondContact O-CA 3.33Å; L285-L321 PolarHBondContact O-N 3.21Å; Q286-L321 WeakPolarHBondContact O-CD1 3.39Å; L288-L321 HydrophobicContact CB-CD1 3.79Å; L321-L324 HydrophobicContact CD2-CB 4.11Å; L321-L324 HydrophobicContact CD2-CD2 4.39Å; L321-F343 HydrophobicContact CB-CB 4.48Å; L321-F343 HydrophobicContact CB-CD1 3.42Å; L321-F343 VanDerWaalsContact CB-CD1 3.42Å; L321-F343 HydrophobicContact CB-CE1 3.79Å; L321-F343 HydrophobicContact CB-CG 4.05Å; L321-F343 HydrophobicContact CD2-CD1 3.96Å; L321-F343 HydrophobicContact CD2-CD2 4.17Å; L321-F343 HydrophobicContact CD2-CE1 3.91Å; L321-F343 HydrophobicContact CD2-CE2 4.1Å; L321-F343 HydrophobicContact CD2-CG 4.1Å; L321-F343 HydrophobicContact CD2-CZ 3.98Å; L321-F343 HydrophobicContact CG-CD1 4.34Å; L321-L345 CarbonylContact O-C 3.34Å; L321-L346 PolarHBondContact O-N 2.8Å
322	S	94.3	Very high	81.8	Confident	23 Å²	23	64.4 Å²	64.4	16%	0.161	32%	0.322	C	S	.	.			trans	-109	-20.9	-179.3	62.9	0	0	0	0	112.8	Q286 H287 Q320 L345 Q347 A348	Q286-S322 PolarHBondContact O-N 2.95Å; Q286-S322 PolarHBondContact O-OG 3.33Å; H287-S322 PolarHBondContact CD2-OG 3.25Å; Q320-S322 PolarHBondContact O-N 3.33Å; Q320-S322 VanDerWaalsContact O-N 3.14Å; S322-L345 WeakPolarHBondContact CA-O 3.45Å; S322-Q347 PolarHBondContact O-N 2.78Å; S322-A348 PolarHBondContact O-N 3.2Å
323	Y	95.9	Very high	83.1	Confident	56 Å²	56	61.2 Å²	61.2	22%	0.22	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	124.3	179.1	-174.9	-86.4	0	0	0	111.2	Q286 L288 H289 R325 A348 I350	Q286-Y323 PolarHBondContact O-N 2.98Å; Q286-Y323 VanDerWaalsContact O-N 3.12Å; L288-Y323 PolarHBondContact N-O 3.22Å; H289-Y323 AromaticContact CE1-CE1 3.28Å; H289-Y323 WeakPolarHBondContact CE1-CE1 3.42Å; H289-Y323 AromaticContact CE1-CZ 3.99Å; H289-Y323 AromaticContact ND1-CE1 3.75Å; H289-Y323 AromaticContact NE2-CD1 3.88Å; H289-Y323 AromaticContact NE2-CE1 3.62Å; Y323-R325 HydrophobicContact CD1-CB 4.5Å; Y323-R325 HydrophobicContact CE1-CB 3.63Å; Y323-A348 HydrophobicContact CD2-CB 3.66Å; Y323-A348 HydrophobicContact CE2-CB 3.93Å; Y323-I350 HydrophobicContact CE2-CD1 4.29Å; Y323-I350 WeakPolarHBondContact OH-CD1 3.38Å
324	L	93.9	Very high	84.4	Confident	1 Å²	1	62.4 Å²	62.4	1%	0.005	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	124.6	174.7	177.3	58.5	0	0	0	110.8	F278 L288 L321 L326 I339 L346 A348 F349 I350	F278-L324 HydrophobicContact CE2-CD1 4.02Å; F278-L324 HydrophobicContact CE2-CD2 4.33Å; F278-L324 HydrophobicContact CZ-CD1 4.34Å; L288-L324 HydrophobicContact CB-CD1 4.07Å; L288-L324 HydrophobicContact CD2-CD1 3.96Å; L288-L324 HydrophobicContact CG-CD1 4Å; L288-L324 WeakPolarHBondContact O-CA 3.37Å; L321-L324 HydrophobicContact CD2-CB 4.11Å; L321-L324 HydrophobicContact CD2-CD2 4.39Å; L324-L326 HydrophobicContact CD1-CD2 4.42Å; L324-L326 HydrophobicContact CD1-CG 4.15Å; L324-L326 HydrophobicContact CD2-CD1 4.18Å; L324-L326 HydrophobicContact CG-CD1 4.34Å; L324-L326 HydrophobicContact CG-CG 4.18Å; L324-I339 HydrophobicContact CD2-CG2 4.47Å; L324-L346 HydrophobicContact CB-CD1 3.81Å; L324-A348 PolarHBondContact N-O 3.3Å; L324-F349 HydrophobicContact CB-CD2 4.1Å; L324-F349 HydrophobicContact CD2-CD2 3.88Å; L324-F349 HydrophobicContact CD2-CE2 3.71Å; L324-F349 HydrophobicContact CG-CD2 3.97Å; L324-F349 HydrophobicContact CG-CE2 4.06Å; L324-F349 WeakPolarHBondContact O-CA 3.4Å; L324-I350 PolarHBondContact O-N 2.71Å
325	R	95.4	Very high	85.4	Confident	76 Å²	76	63.4 Å²	63.4	29%	0.287	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.7	179.3	-171.2	178.8	-177.3	174.7	-1.9	111.6	L288 L290 D291 Y323 D327 I350	L288-R325 PolarHBondContact O-N 2.96Å; L290-R325 CarbonylContact C-O 3.04Å; L290-R325 WeakPolarHBondContact CA-O 3.4Å; L290-R325 PolarHBondContact N-O 2.97Å; D291-R325 HydrophobicContact CB-CG 3.99Å; D291-R325 PolarHBondContact N-O 3.15Å; D291-R325 WeakPolarHBondContact OD1-CD 3.24Å; D291-R325 IonicContact OD1-NE 2.73Å; Y323-R325 HydrophobicContact CD1-CB 4.5Å; Y323-R325 HydrophobicContact CE1-CB 3.63Å; R325-D327 WeakPolarHBondContact CD-OD1 3.46Å; R325-D327 WeakPolarHBondContact CG-OD1 3.43Å; R325-D327 IonicContact CZ-OD1 3.26Å; R325-D327 IonicContact CZ-OD2 3.73Å; R325-D327 IonicContact NE-OD1 3.84Å; R325-D327 PolarHBondContact NE-OD1 2.81Å; R325-D327 IonicContact NE-OD2 3.76Å; R325-D327 PolarHBondContact NE-OD2 3.23Å; R325-D327 IonicContact NH2-OD1 3.75Å; R325-D327 IonicContact NH2-OD2 3.08Å; R325-D327 PolarHBondContact NH2-OD2 2.79Å; R325-I350 HydrophobicContact CG-CB 4.09Å; R325-I350 HydrophobicContact CG-CD1 4.3Å; R325-I350 HydrophobicContact CG-CG2 4.35Å
326	L	94.1	Very high	86.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	32%	0.315	C	S	.	.			trans	-132.1	3.5	-173.4	-71.8	177.4	0	0	0	113.9	F278 L290 I295 V298 L324 N329 I331 F349 I350 I351	F278-L326 HydrophobicContact CD2-CD2 4.47Å; F278-L326 HydrophobicContact CE2-CD2 4.49Å; L290-L326 HydrophobicContact CB-CD2 3.68Å; L290-L326 HydrophobicContact CD1-CD2 4.03Å; I295-L326 HydrophobicContact CD1-CD2 4.24Å; V298-L326 HydrophobicContact CG2-CD1 4.22Å; L324-L326 HydrophobicContact CD1-CD2 4.42Å; L324-L326 HydrophobicContact CD1-CG 4.15Å; L324-L326 HydrophobicContact CD2-CD1 4.18Å; L324-L326 HydrophobicContact CG-CD1 4.34Å; L324-L326 HydrophobicContact CG-CG 4.18Å; L326-N329 WeakPolarHBondContact O-CB 3.29Å; L326-N329 PolarHBondContact O-ND2 3.39Å; L326-I331 HydrophobicContact CB-CD1 4Å; L326-I331 HydrophobicContact CD1-CD1 3.94Å; L326-I331 HydrophobicContact CD2-CD1 4.4Å; L326-I331 HydrophobicContact CG-CD1 4.36Å; L326-F349 HydrophobicContact CD1-CE2 3.75Å; L326-F349 HydrophobicContact CD1-CZ 4.22Å; L326-F349 HydrophobicContact CG-CE2 4.47Å; L326-I350 WeakPolarHBondContact CA-O 3.12Å; L326-I350 PolarHBondContact N-O 3.16Å; L326-I351 HydrophobicContact CB-CB 4.44Å; L326-I351 HydrophobicContact CB-CG1 4.09Å
327	D	94.2	Very high	87	Confident	31 Å²	31	59.8 Å²	59.8	17%	0.166	32%	0.32	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	151.9	179.5	53	-55.8	0	0	0	113	D291 H292 R325 N329 I350 I351	D291-D327 CarbonylContact C-O 3.6Å; D291-D327 WeakPolarHBondContact CA-O 3.3Å; D291-D327 WeakPolarHBondContact CB-O 3.45Å; D291-D327 WeakPolarHBondContact CB-OD1 3.39Å; H292-D327 PolarHBondContact N-O 2.79Å; R325-D327 WeakPolarHBondContact CD-OD1 3.46Å; R325-D327 WeakPolarHBondContact CG-OD1 3.43Å; R325-D327 IonicContact CZ-OD1 3.26Å; R325-D327 IonicContact CZ-OD2 3.73Å; R325-D327 IonicContact NE-OD1 3.84Å; R325-D327 PolarHBondContact NE-OD1 2.81Å; R325-D327 IonicContact NE-OD2 3.76Å; R325-D327 PolarHBondContact NE-OD2 3.23Å; R325-D327 IonicContact NH2-OD1 3.75Å; R325-D327 IonicContact NH2-OD2 3.08Å; R325-D327 PolarHBondContact NH2-OD2 2.79Å; D327-N329 VanDerWaalsContact C-N 3.26Å; D327-N329 PolarHBondContact O-N 3.22Å; D327-I350 HydrophobicContact CB-CG2 4.02Å; D327-I350 WeakPolarHBondContact OD1-CG2 3.42Å; D327-I351 WeakPolarHBondContact CA-OXT 3.2Å
328	G	95.4	Very high	87.4	Confident	46 Å²	46	57.2 Å²	57.2	47%	0.474	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	72.1	15.6	-179.2	0	0	0	0	0	114.8	H292	H292-G328 WeakPolarHBondContact CA-O 3.5Å
329	N	95.9	Very high	87.5	Confident	25 Å²	25	57 Å²	57	13%	0.134	31%	0.308	C	S	.	.	S	Bend	trans	-92	178.4	167.5	-80.2	-80.8	0	0	0	112.1	L290 N293 K294 I295 L326 D327 I331	L290-N329 PolarHBondContact O-ND2 3.24Å; N293-N329 VanDerWaalsContact CA-OD1 3.29Å; N293-N329 WeakPolarHBondContact CA-OD1 3.37Å; N293-N329 WeakPolarHBondContact CB-OD1 3.19Å; N293-N329 PolarHBondContact N-OD1 3.28Å; N293-N329 PolarHBondContact O-OD1 3.43Å; K294-N329 PolarHBondContact N-OD1 3.32Å; I295-N329 HydrophobicContact CB-CB 4.23Å; I295-N329 VanDerWaalsContact CB-OD1 3.26Å; I295-N329 WeakPolarHBondContact CB-OD1 3.21Å; I295-N329 WeakPolarHBondContact CG1-OD1 3.43Å; I295-N329 PolarHBondContact N-OD1 3.1Å; L326-N329 WeakPolarHBondContact O-CB 3.29Å; L326-N329 PolarHBondContact O-ND2 3.39Å; D327-N329 VanDerWaalsContact C-N 3.26Å; D327-N329 PolarHBondContact O-N 3.22Å; N329-I331 VanDerWaalsContact C-N 3.29Å; N329-I331 HydrophobicContact CB-CD1 3.93Å; N329-I331 HydrophobicContact CB-CG1 3.9Å; N329-I331 PolarHBondContact O-N 2.78Å
330	E	94.6	Very high	86.9	Confident	97 Å²	97	60.7 Å²	60.7	45%	0.453	33%	0.33	S	S	.	.			trans	-93.8	26.3	178.5	-63.3	179.3	-151.8	0	0	112.5	I295 K296 K332	I295-E330 CarbonylContact O-C 3.29Å; I295-E330 VanDerWaalsContact O-C 3.27Å; I295-E330 WeakPolarHBondContact O-CA 3.45Å; I295-E330 PolarHBondContact O-N 2.75Å; K296-E330 WeakPolarHBondContact CE-OE2 3.41Å; K296-E330 HydrophobicContact CG-CB 3.95Å; K296-E330 IonicContact NZ-OE2 2.83Å; E330-K332 PolarHBondContact O-N 3.11Å
331	I	90.1	Very high	86.3	Confident	29 Å²	29	61 Å²	61	15%	0.149	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-73.9	124.6	-174.6	-56.7	165.7	0	0	0	109.4	I295 V298 L326 N329 I351	I295-I331 HydrophobicContact CG2-CD1 4.41Å; I295-I331 HydrophobicContact CG2-CG1 4.31Å; I295-I331 WeakPolarHBondContact O-CG1 3.44Å; I295-I331 PolarHBondContact O-N 3.2Å; V298-I331 HydrophobicContact CG2-CD1 3.66Å; V298-I331 HydrophobicContact CG2-CG1 4.11Å; V298-I331 HydrophobicContact CG2-CG2 4.17Å; L326-I331 HydrophobicContact CB-CD1 4Å; L326-I331 HydrophobicContact CD1-CD1 3.94Å; L326-I331 HydrophobicContact CD2-CD1 4.4Å; L326-I331 HydrophobicContact CG-CD1 4.36Å; N329-I331 VanDerWaalsContact C-N 3.29Å; N329-I331 HydrophobicContact CB-CD1 3.93Å; N329-I331 HydrophobicContact CB-CG1 3.9Å; N329-I331 PolarHBondContact O-N 2.78Å; I331-I351 HydrophobicContact CB-CD1 4.13Å; I331-I351 HydrophobicContact CD1-CD1 3.84Å; I331-I351 HydrophobicContact CD1-CG1 4.16Å; I331-I351 HydrophobicContact CG2-CD1 3.81Å
332	K	84.9	Confident	85.9	Confident	174 Å²	174	61.3 Å²	61.3	76%	0.757	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-97.3	138.9	176	-66.1	-174	-179.8	-177.9	0	110.7	E330	E330-K332 PolarHBondContact O-N 3.11Å
333	P	79.6	Confident	85.6	Confident	116 Å²	116	60.3 Å²	60.3	75%	0.753	33%	0.332	S	S	*	.	S	Bend	trans	-59	153.2	170	-23.8	33.8	0	0	0	112.5
334	P	78.4	Confident	85.1	Confident	121 Å²	121	61.7 Å²	61.7	79%	0.786	34%	0.339	S	S	*	.	P	Polyproline II helix	cis	-81.1	145.2	0.5	32.9	-34.2	0	0	0	112.5
335	I	74.7	Confident	84.8	Confident	53 Å²	53	64.5 Å²	64.5	27%	0.272	35%	0.353	S	S	.	.	P	Polyproline II helix	trans	-74.7	134.6	171	-54.5	166.2	0	0	0	108.1	I337 I339 F349 I351	I335-I337 PolarHBondContact O-N 3.06Å; I335-I337 VanDerWaalsContact O-N 3.1Å; I335-I339 HydrophobicContact CG2-CD1 3.9Å; I335-F349 HydrophobicContact CD1-CE1 4.06Å; I335-F349 HydrophobicContact CD1-CZ 4.49Å; I335-F349 HydrophobicContact CG2-CE1 3.82Å; I335-F349 HydrophobicContact CG2-CZ 3.82Å; I335-I351 HydrophobicContact CD1-CB 4.16Å; I335-I351 HydrophobicContact CD1-CD1 3.33Å; I335-I351 HydrophobicContact CD1-CG1 4.18Å; I335-I351 HydrophobicContact CD1-CG2 3.32Å; I335-I351 HydrophobicContact CG1-CD1 3.57Å; I335-I351 HydrophobicContact CG2-CD1 4.34Å
336	P	74.8	Confident	84.5	Confident	44 Å²	44	62.4 Å²	62.4	29%	0.286	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-59.7	116.5	178.6	-24.3	34.7	0	0	0	111.7	V298 D338 I339	V298-P336 WeakPolarHBondContact O-CG 3.45Å; P336-D338 PolarHBondContact O-N 2.92Å; P336-D338 VanDerWaalsContact O-N 3.15Å; P336-I339 HydrophobicContact CB-CD1 4.41Å; P336-I339 HydrophobicContact CB-CG1 4.38Å; P336-I339 WeakPolarHBondContact O-CG1 3.08Å; P336-I339 PolarHBondContact O-N 2.04Å
337	I	72.5	Confident	84.3	Confident	140 Å²	140	71 Å²	71	72%	0.718	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-29.2	175.8	-68.8	168.2	0	0	0	110.8	I335 I339 V340	I335-I337 PolarHBondContact O-N 3.06Å; I335-I337 VanDerWaalsContact O-N 3.1Å; I337-I339 PolarHBondContact O-N 3.06Å; I337-I339 VanDerWaalsContact O-N 3.08Å; I337-V340 PolarHBondContact O-N 3.1Å
338	D	75.3	Confident	83.9	Confident	90 Å²	90	71 Å²	71	48%	0.481	39%	0.393	S	S	.	.	H	α-helix	trans	-61.4	-18	-179	-56.6	-32.5	0	0	0	114.2	I300 P336 V340 T341 C342	I300-D338 HydrophobicContact CB-CB 4.42Å; I300-D338 HydrophobicContact CD1-CB 4.32Å; I300-D338 HydrophobicContact CG1-CB 3.88Å; P336-D338 PolarHBondContact O-N 2.92Å; P336-D338 VanDerWaalsContact O-N 3.15Å; D338-V340 VanDerWaalsContact C-N 3.29Å; D338-V340 PolarHBondContact O-N 3.14Å; D338-T341 WeakPolarHBondContact O-CB 3.42Å; D338-T341 PolarHBondContact O-N 3.18Å; D338-C342 PolarHBondContact O-N 2.96Å
339	I	78.8	Confident	83.5	Confident	2 Å²	2	72 Å²	72	1%	0.01	38%	0.384	C	S	.	.	H	α-helix	trans	-59.7	-44.3	172.6	-67.9	168.7	0	0	0	110.3	V298 I300 L324 I335 P336 I337 T341 C342 F343 L346 F349	V298-I339 HydrophobicContact CB-CD1 4.24Å; V298-I339 HydrophobicContact CG1-CD1 3.36Å; V298-I339 HydrophobicContact CG1-CG1 4.23Å; I300-I339 HydrophobicContact CD1-CG1 4.08Å; L324-I339 HydrophobicContact CD2-CG2 4.47Å; I335-I339 HydrophobicContact CG2-CD1 3.9Å; P336-I339 HydrophobicContact CB-CD1 4.41Å; P336-I339 HydrophobicContact CB-CG1 4.38Å; P336-I339 WeakPolarHBondContact O-CG1 3.08Å; P336-I339 PolarHBondContact O-N 2.04Å; I337-I339 PolarHBondContact O-N 3.06Å; I337-I339 VanDerWaalsContact O-N 3.08Å; I339-T341 VanDerWaalsContact C-N 3.27Å; I339-T341 PolarHBondContact O-N 3.31Å; I339-C342 PolarHBondContact O-N 3.46Å; I339-F343 HydrophobicContact CG2-CD2 4.04Å; I339-F343 WeakPolarHBondContact O-CD2 3.43Å; I339-F343 PolarHBondContact O-N 3.19Å; I339-L346 HydrophobicContact CG2-CD2 4.35Å; I339-F349 HydrophobicContact CD1-CZ 4.44Å
340	V	77.5	Confident	83	Confident	87 Å²	87	73.8 Å²	73.8	53%	0.527	39%	0.393	S	S	.	.	H	α-helix	trans	-69.9	-30.9	179.3	-175.9	0	0	0	0	110.6	I337 D338	I337-V340 PolarHBondContact O-N 3.1Å; D338-V340 VanDerWaalsContact C-N 3.29Å; D338-V340 PolarHBondContact O-N 3.14Å
341	T	79.8	Confident	82.4	Confident	69 Å²	69	73.4 Å²	73.4	42%	0.423	39%	0.393	S	S	.	.	H	α-helix	trans	-69.6	-39.2	174.6	-50.4	0	0	0	0	112.2	D338 I339	D338-T341 WeakPolarHBondContact O-CB 3.42Å; D338-T341 PolarHBondContact O-N 3.18Å; I339-T341 VanDerWaalsContact C-N 3.27Å; I339-T341 PolarHBondContact O-N 3.31Å
342	C	84.4	Confident	82	Confident	8 Å²	8	75.7 Å²	75.7	5%	0.054	41%	0.405	C	S	.	.	H	α-helix	trans	-72.5	-47.9	177.5	177.3	0	0	0	0	111.9	I300 C304 D338 I339 K344	I300-C342 HydrophobicContact CD1-CB 3.95Å; C304-C342 WeakPolarHBondContact CA-SG 3.24Å; C304-C342 HydrophobicContact CB-CB 4Å; C304-C342 WeakPolarHBondContact CB-SG 3.34Å; C304-C342 WeakPolarHBondContact SG-CB 3.29Å; C304-C342 CovalentContact SG-SG 2.04Å; C304-C342 PolarHBondContact SG-SG 2.91Å; D338-C342 PolarHBondContact O-N 2.96Å; I339-C342 PolarHBondContact O-N 3.46Å; C342-K344 PolarHBondContact O-N 2.79Å
343	F	86.8	Confident	81.9	Confident	2 Å²	2	70.5 Å²	70.5	1%	0.009	39%	0.387	C	S	.	.			trans	-100.5	76	-178	-57.1	-69.9	0	0	0	111.2	I281 I303 P319 L321 I339 L345 L346	I281-F343 HydrophobicContact CD1-CE1 4.38Å; I281-F343 HydrophobicContact CD1-CZ 4.19Å; I303-F343 HydrophobicContact CG2-CE2 3.43Å; I303-F343 VanDerWaalsContact CG2-CE2 3.43Å; I303-F343 HydrophobicContact CG2-CZ 3.6Å; P319-F343 HydrophobicContact CB-CD1 3.59Å; P319-F343 HydrophobicContact CB-CE1 3.65Å; P319-F343 HydrophobicContact CG-CD1 4.4Å; P319-F343 HydrophobicContact CG-CE1 4.36Å; L321-F343 HydrophobicContact CB-CB 4.48Å; L321-F343 HydrophobicContact CB-CD1 3.42Å; L321-F343 VanDerWaalsContact CB-CD1 3.42Å; L321-F343 HydrophobicContact CB-CE1 3.79Å; L321-F343 HydrophobicContact CB-CG 4.05Å; L321-F343 HydrophobicContact CD2-CD1 3.96Å; L321-F343 HydrophobicContact CD2-CD2 4.17Å; L321-F343 HydrophobicContact CD2-CE1 3.91Å; L321-F343 HydrophobicContact CD2-CE2 4.1Å; L321-F343 HydrophobicContact CD2-CG 4.1Å; L321-F343 HydrophobicContact CD2-CZ 3.98Å; L321-F343 HydrophobicContact CG-CD1 4.34Å; I339-F343 HydrophobicContact CG2-CD2 4.04Å; I339-F343 WeakPolarHBondContact O-CD2 3.43Å; I339-F343 PolarHBondContact O-N 3.19Å; F343-L345 PolarHBondContact O-N 3.14Å; F343-L345 VanDerWaalsContact O-N 3.12Å; F343-L346 HydrophobicContact CB-CB 4.05Å; F343-L346 WeakPolarHBondContact O-CB 3.18Å; F343-L346 PolarHBondContact O-N 3.17Å
344	K	86.5	Confident	82	Confident	85 Å²	85	67.9 Å²	67.9	37%	0.37	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-19.3	-177.7	-61.7	-171.1	178.5	-172.6	0	114.4	A314 F315 C342	A314-K344 HydrophobicContact CB-CD 4.3Å; F315-K344 HydrophobicContact CD1-CB 4.2Å; F315-K344 HydrophobicContact CD1-CD 4.35Å; F315-K344 HydrophobicContact CD2-CD 4.13Å; F315-K344 HydrophobicContact CE1-CB 3.77Å; F315-K344 HydrophobicContact CE1-CD 3.99Å; F315-K344 HydrophobicContact CE1-CG 4.5Å; F315-K344 HydrophobicContact CE2-CD 3.75Å; F315-K344 HydrophobicContact CG-CD 4.42Å; F315-K344 HydrophobicContact CZ-CB 4.2Å; F315-K344 HydrophobicContact CZ-CD 3.68Å; F315-K344 HydrophobicContact CZ-CG 4.48Å; C342-K344 PolarHBondContact O-N 2.79Å
345	L	88.1	Confident	82.2	Confident	60 Å²	60	64.8 Å²	64.8	31%	0.314	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.2	0.5	178.2	-61.8	179.8	0	0	0	113.1	L321 S322 F343 Q347	L321-L345 CarbonylContact O-C 3.34Å; S322-L345 WeakPolarHBondContact CA-O 3.45Å; F343-L345 PolarHBondContact O-N 3.14Å; F343-L345 VanDerWaalsContact O-N 3.12Å; L345-Q347 PolarHBondContact O-N 2.88Å; L345-Q347 VanDerWaalsContact O-N 3.09Å
346	L	88.3	Confident	82.7	Confident	31 Å²	31	65.6 Å²	65.6	16%	0.162	35%	0.346	C	S	.	.			trans	-65.2	109.4	-177.4	-165.9	65.5	0	0	0	110.7	L321 L324 I339 F343 A348 F349	L321-L346 PolarHBondContact O-N 2.8Å; L324-L346 HydrophobicContact CB-CD1 3.81Å; I339-L346 HydrophobicContact CG2-CD2 4.35Å; F343-L346 HydrophobicContact CB-CB 4.05Å; F343-L346 WeakPolarHBondContact O-CB 3.18Å; F343-L346 PolarHBondContact O-N 3.17Å; L346-A348 WeakPolarHBondContact CD1-O 3Å; L346-F349 HydrophobicContact CD2-CB 3.84Å; L346-F349 HydrophobicContact CD2-CD2 4.34Å; L346-F349 HydrophobicContact CD2-CG 4.2Å; L346-F349 HydrophobicContact CG-CB 4.34Å
347	Q	89	Confident	83.2	Confident	180 Å²	180	67 Å²	67	84%	0.841	35%	0.35	S	S	*	.			trans	-92	-30.7	179	-64.8	177.8	0.5	0	0	111.8	S322 L345	S322-Q347 PolarHBondContact O-N 2.78Å; L345-Q347 PolarHBondContact O-N 2.88Å; L345-Q347 VanDerWaalsContact O-N 3.09Å
348	A	86.8	Confident	84	Confident	33 Å²	33	61.8 Å²	61.8	27%	0.273	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	129.3	179	0	0	0	0	0	110.6	S322 Y323 L324 L346	S322-A348 PolarHBondContact O-N 3.2Å; Y323-A348 HydrophobicContact CD2-CB 3.66Å; Y323-A348 HydrophobicContact CE2-CB 3.93Å; L324-A348 PolarHBondContact N-O 3.3Å; L346-A348 WeakPolarHBondContact CD1-O 3Å
349	F	86.1	Confident	84.6	Confident	65 Å²	65	59.6 Å²	59.6	29%	0.285	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	111.6	174.7	-179.7	-127.8	0	0	0	108.7	L324 L326 I335 I339 L346 I351	L324-F349 HydrophobicContact CB-CD2 4.1Å; L324-F349 HydrophobicContact CD2-CD2 3.88Å; L324-F349 HydrophobicContact CD2-CE2 3.71Å; L324-F349 HydrophobicContact CG-CD2 3.97Å; L324-F349 HydrophobicContact CG-CE2 4.06Å; L324-F349 WeakPolarHBondContact O-CA 3.4Å; L326-F349 HydrophobicContact CD1-CE2 3.75Å; L326-F349 HydrophobicContact CD1-CZ 4.22Å; L326-F349 HydrophobicContact CG-CE2 4.47Å; I335-F349 HydrophobicContact CD1-CE1 4.06Å; I335-F349 HydrophobicContact CD1-CZ 4.49Å; I335-F349 HydrophobicContact CG2-CE1 3.82Å; I335-F349 HydrophobicContact CG2-CZ 3.82Å; I339-F349 HydrophobicContact CD1-CZ 4.44Å; L346-F349 HydrophobicContact CD2-CB 3.84Å; L346-F349 HydrophobicContact CD2-CD2 4.34Å; L346-F349 HydrophobicContact CD2-CG 4.2Å; L346-F349 HydrophobicContact CG-CB 4.34Å; F349-I351 HydrophobicContact CE1-CB 4.49Å; F349-I351 HydrophobicContact CE1-CG2 4.36Å; F349-I351 HydrophobicContact CZ-CB 4.25Å; F349-I351 HydrophobicContact CZ-CD1 4.14Å
350	I	85.8	Confident	85.1	Confident	63 Å²	63	64.4 Å²	64.4	32%	0.323	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	129.1	-175.8	-55	173.5	0	0	0	107.6	Y323 L324 R325 L326 D327	Y323-I350 HydrophobicContact CE2-CD1 4.29Å; Y323-I350 WeakPolarHBondContact OH-CD1 3.38Å; L324-I350 PolarHBondContact O-N 2.71Å; R325-I350 HydrophobicContact CG-CB 4.09Å; R325-I350 HydrophobicContact CG-CD1 4.3Å; R325-I350 HydrophobicContact CG-CG2 4.35Å; L326-I350 WeakPolarHBondContact CA-O 3.12Å; L326-I350 PolarHBondContact N-O 3.16Å; D327-I350 HydrophobicContact CB-CG2 4.02Å; D327-I350 WeakPolarHBondContact OD1-CG2 3.42Å
351	I	82.6	Confident	85.8	Confident	90 Å²	90	62.4 Å²	62.4	46%	0.462	32%	0.32	S	S	.	.			trans	-146.3	0	-177	-164.4	173.6	0	0	0	112.6	L326 D327 I331 I335 F349	L326-I351 HydrophobicContact CB-CB 4.44Å; L326-I351 HydrophobicContact CB-CG1 4.09Å; D327-I351 WeakPolarHBondContact CA-OXT 3.2Å; I331-I351 HydrophobicContact CB-CD1 4.13Å; I331-I351 HydrophobicContact CD1-CD1 3.84Å; I331-I351 HydrophobicContact CD1-CG1 4.16Å; I331-I351 HydrophobicContact CG2-CD1 3.81Å; I335-I351 HydrophobicContact CD1-CB 4.16Å; I335-I351 HydrophobicContact CD1-CD1 3.33Å; I335-I351 HydrophobicContact CD1-CG1 4.18Å; I335-I351 HydrophobicContact CD1-CG2 3.32Å; I335-I351 HydrophobicContact CG1-CD1 3.57Å; I335-I351 HydrophobicContact CG2-CD1 4.34Å; F349-I351 HydrophobicContact CE1-CB 4.49Å; F349-I351 HydrophobicContact CE1-CG2 4.36Å; F349-I351 HydrophobicContact CZ-CB 4.25Å; F349-I351 HydrophobicContact CZ-CD1 4.14Å

Retrieved 351 of 351 residues in 111.3 ms (Link to these results)

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