A0A087WRA2_MOUSE Loading...

Leucine rich repeat and fibronectin type III domain containing 1

AlphaFold DB , UniProt , Accession A0A087WRA2, Species MOUSE (Mus musculus, Mouse), Gene Lrfn1, Length 209 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	37.5	Very low	33.2	Very low	242 Å²	242	135.8 Å²	135.8	100%	1.192	83%	0.827	S	S	*	*				0	113.1	0	-135.1	80.8	166.2	0	0	107.3
2	A	31.9	Very low	33.1	Very low	90 Å²	90	133.3 Å²	133.3	74%	0.744	82%	0.82	S	S	*	*			trans	-73.4	170.1	160.3	0	0	0	0	0	108.7
3	P	35.7	Very low	33.8	Very low	128 Å²	128	132.3 Å²	132.3	83%	0.831	82%	0.817	S	S	*	*				-143.6	167.9	62.4	32.3	-9.8	0	0	0	116.1
4	G	26.5	Very low	34.5	Very low	66 Å²	66	131.1 Å²	131.1	68%	0.68	81%	0.812	S	S	*	*			trans	-83.8	-146.6	160.2	0	0	0	0	0	111.4
5	P	45.8	Very low	35.3	Very low	112 Å²	112	130 Å²	130	73%	0.727	81%	0.807	S	S	*	*			cis	-146.1	-159	-4.3	35.5	-10	0	0	0	115.4
6	F	30.3	Very low	35.9	Very low	190 Å²	190	128.4 Å²	128.4	83%	0.833	81%	0.811	S	S	*	*			trans	98.4	102.6	167	-67.6	-78.2	0	0	0	117.7
7	S	32	Very low	36.2	Very low	108 Å²	108	127 Å²	127	76%	0.755	81%	0.814	S	S	*	*				82.1	129.4	76.1	-156.3	0	0	0	0	111.1
8	S	30.3	Very low	36.8	Very low	112 Å²	112	128.9 Å²	128.9	78%	0.783	82%	0.815	S	S	*	*			cis	-165.6	159.6	44	48	0	0	0	0	111.7
9	G	31.3	Very low	37.1	Very low	77 Å²	77	128.3 Å²	128.3	79%	0.794	81%	0.813	S	S	*	*			trans	166	77.8	168.5	0	0	0	0	0	113.4
10	L	32.7	Very low	37.6	Very low	160 Å²	160	131.8 Å²	131.8	84%	0.838	82%	0.816	S	S	*	*			trans	-62.5	142.7	172.8	-77.4	88.1	0	0	0	112.1
11	F	30.8	Very low	38.1	Very low	209 Å²	209	132.2 Å²	132.2	92%	0.917	81%	0.812	S	S	*	*				-174.4	128	119.2	-113.6	-86.8	0	0	0	111.2
12	S	32.8	Very low	38.7	Very low	106 Å²	106	127.8 Å²	127.8	74%	0.741	79%	0.792	S	S	*	*			trans	-150.2	149.3	163	44.6	0	0	0	0	105.6
13	P	41.9	Very low	39.7	Very low	120 Å²	120	129.5 Å²	129.5	78%	0.779	79%	0.788	S	S	*	*				-148.9	-147.1	57	41.6	-16.3	0	0	0	113.7
14	P	43.7	Very low	40.3	Very low	116 Å²	116	131.1 Å²	131.1	75%	0.753	79%	0.789	S	S	*	*				-124.8	-143.7	-114.7	39.3	-15.3	0	0	0	112.5
15	P	46.4	Very low	41.2	Very low	114 Å²	114	139.1 Å²	139.1	74%	0.74	80%	0.799	S	S	*	*				-117.6	171	-60	25.6	-5.4	0	0	0	113.4
16	A	45.3	Very low	41.4	Very low	104 Å²	104	138.1 Å²	138.1	86%	0.86	80%	0.8	S	S	*	*			trans	31.8	112.4	149.8	0	0	0	0	0	120.3
17	A	40.3	Very low	42.2	Very low	105 Å²	105	132.2 Å²	132.2	87%	0.868	79%	0.793	S	S	*	*			trans	-137.2	120.9	152.3	0	0	0	0	0	110.4
18	L	47.5	Very low	42.9	Very low	161 Å²	161	131.3 Å²	131.3	84%	0.843	79%	0.792	S	S	*	*			trans	-58	154.4	177.6	-75.4	142.7	0	0	0	112.5	F20	L18-F20 PolarHBondContact O-N 3.08Å
19	P	42.6	Very low	43.8	Very low	118 Å²	118	131 Å²	131	77%	0.766	79%	0.789	S	S	*	*			trans	-68.1	126.7	173.1	30.2	-30.6	0	0	0	108.7	L21	P19-L21 VanDerWaalsContact C-N 3.3Å; P19-L21 PolarHBondContact O-N 2.84Å
20	F	46.6	Very low	44.6	Very low	198 Å²	198	139 Å²	139	87%	0.868	80%	0.796	S	S	*	*			trans	-65.5	89.8	174.5	-123.9	-97.7	0	0	0	108.5	L18 L22	L18-F20 PolarHBondContact O-N 3.08Å; F20-L22 PolarHBondContact O-N 3.22Å; F20-L22 VanDerWaalsContact O-N 3.07Å
21	L	48.9	Very low	45.5	Very low	141 Å²	141	134.2 Å²	134.2	74%	0.738	79%	0.785	S	S	*	*			trans	-66.1	103.9	163.4	-153.3	86.9	0	0	0	105.8	P19 L23	P19-L21 VanDerWaalsContact C-N 3.3Å; P19-L21 PolarHBondContact O-N 2.84Å; L21-L23 HydrophobicContact CD2-CG 4.31Å; L21-L23 PolarHBondContact O-N 2.91Å
22	L	50.1	Low	46.9	Very low	149 Å²	149	127.6 Å²	127.6	78%	0.78	76%	0.757	S	S	*	*			trans	-63	82.8	168	-83.9	156.9	0	0	0	108.1	F20 L24	F20-L22 PolarHBondContact O-N 3.22Å; F20-L22 VanDerWaalsContact O-N 3.07Å; L22-L24 PolarHBondContact O-N 2.93Å
23	L	52.5	Low	48.6	Very low	126 Å²	126	128.1 Å²	128.1	66%	0.66	76%	0.758	S	S	*	*			trans	-66.3	93.9	158.2	-79.5	156.9	0	0	0	105.5	L21 W25	L21-L23 HydrophobicContact CD2-CG 4.31Å; L21-L23 PolarHBondContact O-N 2.91Å; L23-W25 PolarHBondContact O-N 3.09Å
24	L	48.3	Very low	50	Low	161 Å²	161	124.3 Å²	124.3	84%	0.843	73%	0.734	S	S	*	*			trans	-55.1	94.8	155.9	-73.2	164.7	0	0	0	105.8	L22 A26	L22-L24 PolarHBondContact O-N 2.93Å; L24-A26 PolarHBondContact O-N 3.26Å
25	W	45.6	Very low	51.5	Low	234 Å²	234	119.8 Å²	119.8	89%	0.886	70%	0.704	S	S	*	*			trans	-63.2	86.4	157.2	-83	53.3	0	0	0	104.8	L23 G27	L23-W25 PolarHBondContact O-N 3.09Å; W25-G27 PolarHBondContact O-N 2.94Å
26	A	49.9	Very low	52.6	Low	92 Å²	92	118.6 Å²	118.6	76%	0.76	71%	0.712	S	S	*	*			trans	-57.1	96.4	152	0	0	0	0	0	103.7	L24 A28	L24-A26 PolarHBondContact O-N 3.26Å; A26-A28 PolarHBondContact O-N 3.34Å
27	G	46.5	Very low	54	Low	65 Å²	65	122.2 Å²	122.2	67%	0.67	70%	0.704	S	S	*	*			trans	-56.3	93.4	163.9	0	0	0	0	0	105.3	W25 S29	W25-G27 PolarHBondContact O-N 2.94Å; G27-S29 PolarHBondContact O-N 3.21Å
28	A	47.4	Very low	56	Low	90 Å²	90	117.9 Å²	117.9	74%	0.744	67%	0.667	S	S	*	*			trans	-62.2	90.6	158.3	0	0	0	0	0	103.5	A26 R30	A26-A28 PolarHBondContact O-N 3.34Å; A28-R30 PolarHBondContact O-N 3.45Å
29	S	49.6	Very low	57.8	Low	104 Å²	104	115.2 Å²	115.2	73%	0.727	65%	0.653	S	S	*	*			trans	-47.1	118.1	156.3	49.7	0	0	0	0	103.9	G27 G31	G27-S29 PolarHBondContact O-N 3.21Å; S29-G31 PolarHBondContact O-N 2.91Å
30	R	47.6	Very low	59.6	Low	247 Å²	247	111.7 Å²	111.7	93%	0.932	63%	0.63	S	S	*	*			trans	-64.6	77	167.7	-76.7	177.9	173.5	175.5	-1.7	105.4	A28 Q32	A28-R30 PolarHBondContact O-N 3.45Å; R30-Q32 PolarHBondContact O-N 3.26Å; R30-Q32 VanDerWaalsContact O-N 3.16Å
31	G	51.4	Low	61.2	Low	59 Å²	59	106.6 Å²	106.6	61%	0.608	61%	0.609	S	S	*	*			trans	-58.5	119	174	0	0	0	0	0	105.7	S29	S29-G31 PolarHBondContact O-N 2.91Å
32	Q	61.2	Low	62.2	Low	69 Å²	69	105.1 Å²	105.1	32%	0.322	60%	0.602	S	S	.	*			trans	-44.8	136.1	172.6	-74.9	157.3	-73.1	0	0	108.4	R30 C34 N42 D64	R30-Q32 PolarHBondContact O-N 3.26Å; R30-Q32 VanDerWaalsContact O-N 3.16Å; Q32-C34 VanDerWaalsContact C-N 3.25Å; Q32-C34 PolarHBondContact O-N 3.03Å; Q32-N42 PolarHBondContact OE1-ND2 3.47Å; Q32-D64 PolarHBondContact NE2-OD2 3.35Å
33	P	67.4	Low	62.8	Low	117 Å²	117	102.1 Å²	102.1	76%	0.76	59%	0.59	S	S	*	*			trans	-67.5	91.5	-178.7	27.6	-31.8	0	0	0	108
34	C	71.3	Confident	62.8	Low	41 Å²	41	100.8 Å²	100.8	28%	0.277	60%	0.597	S	S	.	*			trans	-64.8	132.4	167.8	-159.6	0	0	0	0	106.9	Q32 G36 C38 C40	Q32-C34 VanDerWaalsContact C-N 3.25Å; Q32-C34 PolarHBondContact O-N 3.03Å; C34-G36 PolarHBondContact O-N 3.36Å; C34-C38 VanDerWaalsContact SG-C 3.59Å; C34-C38 PolarHBondContact SG-O 3.46Å; C34-C40 VanDerWaalsContact CA-SG 3.53Å; C34-C40 HydrophobicContact CB-CB 3.81Å; C34-C40 WeakPolarHBondContact CB-SG 3.45Å; C34-C40 WeakPolarHBondContact SG-CB 3.42Å; C34-C40 PolarHBondContact SG-N 3.34Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 3.16Å
35	P	76.3	Confident	63.4	Low	20 Å²	20	99.4 Å²	99.4	13%	0.13	60%	0.598	C	S	.	*			trans	-53.5	136.9	174.6	-21.2	29.7	0	0	0	109.2	R37 C38 M49	P35-R37 PolarHBondContact O-N 3.24Å; P35-C38 HydrophobicContact CB-CB 4.22Å; P35-C38 HydrophobicContact CG-CB 4.34Å; P35-C38 WeakPolarHBondContact O-CB 3.22Å; P35-C38 PolarHBondContact O-N 2.99Å; P35-M49 HydrophobicContact CG-CE 4.46Å; P35-M49 HydrophobicContact CG-SD 4.25Å
36	G	67.6	Low	64.7	Low	89 Å²	89	90.9 Å²	90.9	92%	0.918	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.3	-16.3	-163.3	0	0	0	0	0	116.8	C34	C34-G36 PolarHBondContact O-N 3.36Å
37	R	75.6	Confident	66.3	Low	180 Å²	180	87.3 Å²	87.3	68%	0.679	54%	0.539	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104	-2.3	175.3	-59.9	-170.2	175.6	-171.6	-1.9	114.1	P35 T54	P35-R37 PolarHBondContact O-N 3.24Å; R37-T54 HydrophobicContact CB-CG2 3.75Å; R37-T54 WeakPolarHBondContact CD-O 3.09Å; R37-T54 PolarHBondContact NH1-O 3.33Å; R37-T54 WeakPolarHBondContact O-CG2 3.35Å
38	C	82.9	Confident	68.4	Low	14 Å²	14	84.7 Å²	84.7	10%	0.095	51%	0.511	C	S	.	.			trans	-99.9	154.1	-179.4	-59.6	0	0	0	0	110.9	C34 P35 M49 L50 C51	C34-C38 VanDerWaalsContact SG-C 3.59Å; C34-C38 PolarHBondContact SG-O 3.46Å; P35-C38 HydrophobicContact CB-CB 4.22Å; P35-C38 HydrophobicContact CG-CB 4.34Å; P35-C38 WeakPolarHBondContact O-CB 3.22Å; P35-C38 PolarHBondContact O-N 2.99Å; C38-M49 HydrophobicContact CB-CG 4.2Å; C38-L50 CarbonylContact C-O 3.25Å; C38-L50 VanDerWaalsContact CA-O 3.25Å; C38-L50 WeakPolarHBondContact CA-O 3.39Å; C38-C51 HydrophobicContact CB-CB 4.07Å; C38-C51 WeakPolarHBondContact CB-SG 3.39Å; C38-C51 WeakPolarHBondContact SG-CB 3.35Å; C38-C51 CovalentContact SG-SG 2.03Å; C38-C51 PolarHBondContact SG-SG 3.14Å
39	I	84	Confident	70.4	Confident	106 Å²	106	80.6 Å²	80.6	54%	0.544	48%	0.476	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	119	172.4	-55.3	171.8	0	0	0	107.1	Q41 L50	I39-Q41 HydrophobicContact CG2-CG 4.07Å; I39-L50 HydrophobicContact CB-CB 4.33Å; I39-L50 PolarHBondContact N-O 2.96Å; I39-L50 PolarHBondContact O-N 3.03Å
40	C	82.2	Confident	72.4	Confident	44 Å²	44	77.5 Å²	77.5	30%	0.297	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	111	177.5	-62.7	0	0	0	0	108.4	C34 T48 M49	C34-C40 VanDerWaalsContact CA-SG 3.53Å; C34-C40 HydrophobicContact CB-CB 3.81Å; C34-C40 WeakPolarHBondContact CB-SG 3.45Å; C34-C40 WeakPolarHBondContact SG-CB 3.42Å; C34-C40 PolarHBondContact SG-N 3.34Å; C34-C40 CovalentContact SG-SG 2.04Å; C34-C40 PolarHBondContact SG-SG 3.16Å; C40-T48 WeakPolarHBondContact CA-O 3.5Å; C40-M49 VanDerWaalsContact SG-CE 3.59Å
41	Q	78.4	Confident	74.4	Confident	90 Å²	90	65.7 Å²	65.7	42%	0.421	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114	177.4	-64.7	-178.2	-20.4	0	0	108.5	I39 V43 T48	I39-Q41 HydrophobicContact CG2-CG 4.07Å; Q41-V43 HydrophobicContact CB-CG2 4.06Å; Q41-V43 PolarHBondContact O-N 3.4Å; Q41-T48 PolarHBondContact N-O 3.1Å; Q41-T48 PolarHBondContact O-N 2.83Å
42	N	70.9	Confident	76.2	Confident	111 Å²	111	65.4 Å²	65.4	59%	0.594	40%	0.399	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-87.5	81.6	165.8	-91.9	-38.6	0	0	0	107.8	Q32 A44 L47	Q32-N42 PolarHBondContact OE1-ND2 3.47Å; N42-A44 PolarHBondContact O-N 3.45Å; N42-L47 WeakPolarHBondContact OD1-CD1 3.31Å
43	V	62.4	Low	77.7	Confident	85 Å²	85	69.8 Å²	69.8	52%	0.515	42%	0.417	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	92.5	170.6	-173.1	0	0	0	0	105.5	Q41 P45 T46	Q41-V43 HydrophobicContact CB-CG2 4.06Å; Q41-V43 PolarHBondContact O-N 3.4Å; V43-P45 CarbonylContact O-C 3.59Å; V43-P45 VanDerWaalsContact O-N 3.08Å; V43-T46 PolarHBondContact N-O 3.22Å; V43-T46 PolarHBondContact O-N 2.88Å; V43-T46 VanDerWaalsContact O-O 3.05Å; V43-T46 PolarHBondContact O-OG1 3.37Å
44	A	52.3	Low	78.8	Confident	99 Å²	99	65.1 Å²	65.1	82%	0.818	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.7	122.7	179.6	0	0	0	0	0	109.5	N42	N42-A44 PolarHBondContact O-N 3.45Å
45	P	61.5	Low	79.8	Confident	131 Å²	131	64.6 Å²	64.6	85%	0.851	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	cis	-101.1	6	18.7	38.1	-33.8	0	0	0	117	V43	V43-P45 CarbonylContact O-C 3.59Å; V43-P45 VanDerWaalsContact O-N 3.08Å
46	T	72.1	Confident	80.7	Confident	55 Å²	55	65 Å²	65	34%	0.337	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	128.1	-173.2	55.3	0	0	0	0	113.5	V43 T48 V68	V43-T46 PolarHBondContact N-O 3.22Å; V43-T46 PolarHBondContact O-N 2.88Å; V43-T46 VanDerWaalsContact O-O 3.05Å; V43-T46 PolarHBondContact O-OG1 3.37Å; T46-T48 PolarHBondContact O-N 3.06Å; T46-V68 HydrophobicContact CG2-CG1 4.16Å
47	L	83.9	Confident	82	Confident	17 Å²	17	66.3 Å²	66.3	9%	0.089	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	108.6	169.1	176	64.4	0	0	0	108.5	N42 D64 R66 V67 V68 E69	N42-L47 WeakPolarHBondContact OD1-CD1 3.31Å; L47-D64 HydrophobicContact CD2-CB 4.31Å; L47-R66 HydrophobicContact CD2-CB 4.24Å; L47-V67 HydrophobicContact CD2-CG2 3.83Å; L47-V67 HydrophobicContact CG-CG2 3.93Å; L47-V68 PolarHBondContact O-N 2.89Å; L47-E69 PolarHBondContact O-N 3.09Å
48	T	89.7	Confident	82.9	Confident	11 Å²	11	63 Å²	63	7%	0.067	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.4	-178.2	-57.2	0	0	0	0	110.5	C40 Q41 T46 L50 E69	C40-T48 WeakPolarHBondContact CA-O 3.5Å; Q41-T48 PolarHBondContact N-O 3.1Å; Q41-T48 PolarHBondContact O-N 2.83Å; T46-T48 PolarHBondContact O-N 3.06Å; T48-L50 HydrophobicContact CG2-CD2 3.72Å; T48-L50 HydrophobicContact CG2-CG 4.13Å; T48-E69 WeakPolarHBondContact CA-O 3.41Å; T48-E69 HydrophobicContact CG2-CB 4.03Å; T48-E69 HydrophobicContact CG2-CG 4Å
49	M	90.4	Very high	83.5	Confident	3 Å²	3	62.5 Å²	62.5	2%	0.015	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	119	177.4	-173.1	177.4	-72.3	0	0	110.7	P35 C38 C40 I63 D64 V67 E69 L70 R71	P35-M49 HydrophobicContact CG-CE 4.46Å; P35-M49 HydrophobicContact CG-SD 4.25Å; C38-M49 HydrophobicContact CB-CG 4.2Å; C40-M49 VanDerWaalsContact SG-CE 3.59Å; M49-I63 HydrophobicContact CE-CG2 4.23Å; M49-I63 HydrophobicContact SD-CB 4.24Å; M49-I63 HydrophobicContact SD-CG1 3.89Å; M49-I63 HydrophobicContact SD-CG2 3.85Å; M49-D64 HydrophobicContact CE-CB 4.44Å; M49-V67 HydrophobicContact CB-CG1 4.03Å; M49-V67 HydrophobicContact CB-CG2 4.06Å; M49-V67 HydrophobicContact CE-CG2 3.98Å; M49-E69 PolarHBondContact N-O 3.03Å; M49-L70 HydrophobicContact CB-CD1 3.93Å; M49-L70 HydrophobicContact CG-CD1 4.03Å; M49-L70 HydrophobicContact SD-CD1 4.02Å; M49-R71 PolarHBondContact O-N 3.08Å
50	L	90.7	Very high	83.8	Confident	39 Å²	39	58.1 Å²	58.1	20%	0.204	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	116.5	-176.6	-52	177.1	0	0	0	110	C38 I39 T48 R71	C38-L50 CarbonylContact C-O 3.25Å; C38-L50 VanDerWaalsContact CA-O 3.25Å; C38-L50 WeakPolarHBondContact CA-O 3.39Å; I39-L50 HydrophobicContact CB-CB 4.33Å; I39-L50 PolarHBondContact N-O 2.96Å; I39-L50 PolarHBondContact O-N 3.03Å; T48-L50 HydrophobicContact CG2-CD2 3.72Å; T48-L50 HydrophobicContact CG2-CG 4.13Å; L50-R71 HydrophobicContact CD2-CB 3.8Å; L50-R71 VanDerWaalsContact CD2-CD 3.45Å; L50-R71 HydrophobicContact CD2-CG 3.7Å
51	C	90.7	Very high	84.1	Confident	0 Å²	0	61 Å²	61	0%	0	36%	0.358	C	S	.	.			trans	-126.4	40.3	178.6	-44.9	0	0	0	0	111.9	C38 T54 L56 R71 L72 N75	C38-C51 HydrophobicContact CB-CB 4.07Å; C38-C51 WeakPolarHBondContact CB-SG 3.39Å; C38-C51 WeakPolarHBondContact SG-CB 3.35Å; C38-C51 CovalentContact SG-SG 2.03Å; C38-C51 PolarHBondContact SG-SG 3.14Å; C51-T54 HydrophobicContact CB-CG2 4.42Å; C51-T54 WeakPolarHBondContact O-CG2 3.23Å; C51-T54 PolarHBondContact O-OG1 3.04Å; C51-L56 HydrophobicContact CB-CD1 3.91Å; C51-R71 PolarHBondContact N-O 2.88Å; C51-L72 HydrophobicContact CB-CD2 3.66Å; C51-N75 PolarHBondContact O-ND2 3.37Å
52	A	89.5	Confident	84.4	Confident	53 Å²	53	60 Å²	60	44%	0.438	36%	0.364	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	139.4	-175.7	0	0	0	0	0	113	T54 T73	A52-T54 VanDerWaalsContact C-N 3.28Å; A52-T54 WeakPolarHBondContact O-CG2 3.27Å; A52-T54 PolarHBondContact O-N 3.35Å; A52-T73 WeakPolarHBondContact CA-O 3.31Å
53	K	91.3	Very high	85.3	Confident	161 Å²	161	54.9 Å²	54.9	70%	0.7	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.5	34	176.7	-60	179.6	-179.7	179.6	0	114.3	T73 D74	K53-T73 PolarHBondContact N-O 2.6Å; K53-D74 WeakPolarHBondContact CA-O 3.32Å; K53-D74 HydrophobicContact CB-CB 4.48Å; K53-D74 HydrophobicContact CD-CB 4.37Å; K53-D74 VanDerWaalsContact CE-OD2 3.32Å; K53-D74 WeakPolarHBondContact CE-OD2 3.1Å; K53-D74 HydrophobicContact CG-CB 3.4Å; K53-D74 VanDerWaalsContact CG-CB 3.4Å; K53-D74 PolarHBondContact N-O 3.28Å
54	T	91.3	Very high	86.5	Confident	18 Å²	18	52.5 Å²	52.5	11%	0.11	32%	0.322	C	S	.	.	S	Bend	trans	-98.5	-3.3	-175.1	56.5	0	0	0	0	113.2	R37 C51 A52 L56 N75	R37-T54 HydrophobicContact CB-CG2 3.75Å; R37-T54 WeakPolarHBondContact CD-O 3.09Å; R37-T54 PolarHBondContact NH1-O 3.33Å; R37-T54 WeakPolarHBondContact O-CG2 3.35Å; C51-T54 HydrophobicContact CB-CG2 4.42Å; C51-T54 WeakPolarHBondContact O-CG2 3.23Å; C51-T54 PolarHBondContact O-OG1 3.04Å; A52-T54 VanDerWaalsContact C-N 3.28Å; A52-T54 WeakPolarHBondContact O-CG2 3.27Å; A52-T54 PolarHBondContact O-N 3.35Å; T54-L56 WeakPolarHBondContact OG1-CD1 3.28Å; T54-L56 VanDerWaalsContact OG1-CG 3.25Å; T54-L56 WeakPolarHBondContact OG1-CG 3.41Å; T54-N75 PolarHBondContact N-OD1 3.29Å; T54-N75 PolarHBondContact OG1-OD1 3.44Å
55	G	92.8	Very high	88.4	Confident	31 Å²	31	51.4 Å²	51.4	32%	0.32	30%	0.296	S	S	.	.			trans	73.8	28.4	179.4	0	0	0	0	0	113.1	L57 N75	G55-L57 PolarHBondContact O-N 3.22Å; G55-N75 PolarHBondContact N-OD1 2.92Å
56	L	93.8	Very high	89.8	Confident	27 Å²	27	52.5 Å²	52.5	14%	0.141	28%	0.283	C	S	.	.			trans	-67.5	129.7	179.9	-68.6	168.4	0	0	0	110.9	C51 T54 P60 L72 N75 F76 I77	C51-L56 HydrophobicContact CB-CD1 3.91Å; T54-L56 WeakPolarHBondContact OG1-CD1 3.28Å; T54-L56 VanDerWaalsContact OG1-CG 3.25Å; T54-L56 WeakPolarHBondContact OG1-CG 3.41Å; L56-P60 HydrophobicContact CD1-CG 3.95Å; L56-P60 HydrophobicContact CD2-CG 3.69Å; L56-P60 HydrophobicContact CG-CG 4.45Å; L56-L72 HydrophobicContact CD1-CD2 4.01Å; L56-N75 HydrophobicContact CB-CB 4.03Å; L56-N75 PolarHBondContact N-OD1 2.82Å; L56-F76 CarbonylContact O-C 3.24Å; L56-F76 WeakPolarHBondContact O-CA 3.07Å; L56-F76 PolarHBondContact O-N 3.34Å; L56-I77 HydrophobicContact CB-CG1 4.24Å; L56-I77 PolarHBondContact O-N 2.91Å; L56-I77 VanDerWaalsContact O-N 3.17Å
57	L	95.2	Very high	90.7	Very high	117 Å²	117	49.9 Å²	49.9	61%	0.613	27%	0.267	S	S	*	.	S	Bend	trans	-91.4	-18.4	173.4	-57.8	-180	0	0	0	112.4	G55 F76 I77	G55-L57 PolarHBondContact O-N 3.22Å; L57-F76 HydrophobicContact CD2-CB 3.88Å; L57-I77 WeakPolarHBondContact O-CA 3.21Å
58	F	95.1	Very high	91.2	Very high	112 Å²	112	50.7 Å²	50.7	49%	0.491	27%	0.273	S	S	.	.	S	Bend	trans	-152.1	160.6	-178.7	53.4	-93.9	0	0	0	109.8	P60	F58-P60 VanDerWaalsContact O-CD 3.31Å; F58-P60 WeakPolarHBondContact O-CD 3.17Å
59	V	94.6	Very high	91.4	Very high	3 Å²	3	53 Å²	53	2%	0.018	28%	0.283	C	S	.	.			trans	-65.3	121.1	174	-178.4	0	0	0	0	109.4	I63 L72 I77 D84 F85	V59-I63 HydrophobicContact CG1-CD1 3.49Å; V59-I63 VanDerWaalsContact CG1-CD1 3.49Å; V59-L72 HydrophobicContact CG1-CD1 4.16Å; V59-L72 HydrophobicContact CG2-CD1 4.09Å; V59-I77 HydrophobicContact CG2-CD1 4.22Å; V59-I77 HydrophobicContact CG2-CG2 4.47Å; V59-D84 HydrophobicContact CB-CB 3.76Å; V59-D84 HydrophobicContact CG1-CB 3.97Å; V59-D84 HydrophobicContact CG2-CB 3.98Å; V59-F85 HydrophobicContact CG1-CE1 3.92Å; V59-F85 HydrophobicContact CG1-CZ 4.25Å; V59-F85 HydrophobicContact CG2-CE1 4.36Å; V59-F85 HydrophobicContact CG2-CE2 4.46Å; V59-F85 HydrophobicContact CG2-CZ 3.84Å
60	P	90.9	Very high	91.6	Very high	13 Å²	13	52.8 Å²	52.8	8%	0.084	28%	0.282	C	S	.	.			trans	-58.9	132.8	-179.3	-26.5	33.7	0	0	0	112.7	L56 F58 A62 I63	L56-P60 HydrophobicContact CD1-CG 3.95Å; L56-P60 HydrophobicContact CD2-CG 3.69Å; L56-P60 HydrophobicContact CG-CG 4.45Å; F58-P60 VanDerWaalsContact O-CD 3.31Å; F58-P60 WeakPolarHBondContact O-CD 3.17Å; P60-A62 PolarHBondContact O-N 3.44Å; P60-I63 HydrophobicContact CB-CD1 4.47Å; P60-I63 HydrophobicContact CB-CG1 4.24Å; P60-I63 VanDerWaalsContact O-CD1 3.31Å; P60-I63 WeakPolarHBondContact O-CD1 3.49Å; P60-I63 VanDerWaalsContact O-CG1 3.27Å; P60-I63 WeakPolarHBondContact O-CG1 3.28Å
61	P	87.7	Confident	91.8	Very high	105 Å²	105	56.2 Å²	56.2	68%	0.682	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-20.4	-179.5	27.4	-34.6	0	0	0	113.4	I63 R65	P61-I63 VanDerWaalsContact C-N 3.28Å; P61-I63 PolarHBondContact O-N 3.21Å; P61-R65 PolarHBondContact O-NH2 3.44Å
62	A	86.1	Confident	92.1	Very high	68 Å²	68	56.2 Å²	56.2	56%	0.562	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	19	-176.7	0	0	0	0	0	114	P60	P60-A62 PolarHBondContact O-N 3.44Å
63	I	88.3	Confident	92.4	Very high	5 Å²	5	54.4 Å²	54.4	3%	0.026	28%	0.275	C	S	.	.			trans	-69.5	134.2	174.6	-67.2	166.8	0	0	0	109.6	M49 V59 P60 P61 R65 L70 M88	M49-I63 HydrophobicContact CE-CG2 4.23Å; M49-I63 HydrophobicContact SD-CB 4.24Å; M49-I63 HydrophobicContact SD-CG1 3.89Å; M49-I63 HydrophobicContact SD-CG2 3.85Å; V59-I63 HydrophobicContact CG1-CD1 3.49Å; V59-I63 VanDerWaalsContact CG1-CD1 3.49Å; P60-I63 HydrophobicContact CB-CD1 4.47Å; P60-I63 HydrophobicContact CB-CG1 4.24Å; P60-I63 VanDerWaalsContact O-CD1 3.31Å; P60-I63 WeakPolarHBondContact O-CD1 3.49Å; P60-I63 VanDerWaalsContact O-CG1 3.27Å; P60-I63 WeakPolarHBondContact O-CG1 3.28Å; P61-I63 VanDerWaalsContact C-N 3.28Å; P61-I63 PolarHBondContact O-N 3.21Å; I63-R65 PolarHBondContact O-N 3.48Å; I63-L70 HydrophobicContact CD1-CD1 4.35Å; I63-L70 HydrophobicContact CD1-CD2 3.98Å; I63-L70 HydrophobicContact CG2-CD2 4.37Å; I63-M88 HydrophobicContact CG2-CE 3.72Å; I63-M88 HydrophobicContact CG2-SD 4.34Å
64	D	89	Confident	92.7	Very high	35 Å²	35	49.4 Å²	49.4	19%	0.187	26%	0.257	C	S	.	.			trans	-65.9	126.3	173.2	-169.6	-37.4	0	0	0	109.9	Q32 L47 M49 R66 V67	Q32-D64 PolarHBondContact NE2-OD2 3.35Å; L47-D64 HydrophobicContact CD2-CB 4.31Å; M49-D64 HydrophobicContact CE-CB 4.44Å; D64-R66 PolarHBondContact O-N 3.45Å; D64-R66 WeakPolarHBondContact OD1-CB 3.35Å; D64-R66 PolarHBondContact OD1-N 2.98Å; D64-R66 IonicContact OD1-NE 3.65Å; D64-R66 PolarHBondContact OD1-NE 3.24Å; D64-R66 IonicContact OD1-NH2 2.88Å; D64-R66 IonicContact OD2-CZ 2.74Å; D64-R66 IonicContact OD2-NE 3.16Å; D64-R66 IonicContact OD2-NH2 3Å; D64-R66 PolarHBondContact OD2-NH2 3.41Å; D64-V67 HydrophobicContact CB-CG2 4.07Å; D64-V67 WeakPolarHBondContact O-CB 3.44Å; D64-V67 WeakPolarHBondContact O-CG2 3.47Å; D64-V67 PolarHBondContact O-N 3.39Å
65	R	91.8	Very high	93	Very high	76 Å²	76	48.8 Å²	48.8	29%	0.287	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-9.2	-175.1	-54.8	-60.2	176.5	176.9	-4.5	113.7	P61 I63 D84 A86 M88	P61-R65 PolarHBondContact O-NH2 3.44Å; I63-R65 PolarHBondContact O-N 3.48Å; R65-D84 PolarHBondContact NH1-O 3.22Å; R65-A86 PolarHBondContact NH1-O 3.36Å; R65-M88 HydrophobicContact CB-CG 4.37Å
66	R	90.1	Very high	93.2	Very high	153 Å²	153	53.3 Å²	53.3	58%	0.577	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.4	-0.2	176.9	-60.2	173.1	-67.6	174.8	-0.6	113.4	L47 D64 V68	L47-R66 HydrophobicContact CD2-CB 4.24Å; D64-R66 PolarHBondContact O-N 3.45Å; D64-R66 WeakPolarHBondContact OD1-CB 3.35Å; D64-R66 PolarHBondContact OD1-N 2.98Å; D64-R66 IonicContact OD1-NE 3.65Å; D64-R66 PolarHBondContact OD1-NE 3.24Å; D64-R66 IonicContact OD1-NH2 2.88Å; D64-R66 IonicContact OD2-CZ 2.74Å; D64-R66 IonicContact OD2-NE 3.16Å; D64-R66 IonicContact OD2-NH2 3Å; D64-R66 PolarHBondContact OD2-NH2 3.41Å; R66-V68 PolarHBondContact O-N 3.37Å
67	V	90.9	Very high	93.4	Very high	0 Å²	0	52 Å²	52	0%	0	26%	0.257	C	S	.	.			trans	-58.4	134.4	177.7	171	0	0	0	0	109.4	L47 M49 D64 E69 L70 M88 L91	L47-V67 HydrophobicContact CD2-CG2 3.83Å; L47-V67 HydrophobicContact CG-CG2 3.93Å; M49-V67 HydrophobicContact CB-CG1 4.03Å; M49-V67 HydrophobicContact CB-CG2 4.06Å; M49-V67 HydrophobicContact CE-CG2 3.98Å; D64-V67 HydrophobicContact CB-CG2 4.07Å; D64-V67 WeakPolarHBondContact O-CB 3.44Å; D64-V67 WeakPolarHBondContact O-CG2 3.47Å; D64-V67 PolarHBondContact O-N 3.39Å; V67-E69 VanDerWaalsContact CG1-C 3.42Å; V67-E69 WeakPolarHBondContact CG1-O 3.45Å; V67-L70 HydrophobicContact CG1-CB 4.08Å; V67-M88 HydrophobicContact CB-CE 4.38Å; V67-L91 HydrophobicContact CG1-CD1 4.02Å; V67-L91 WeakPolarHBondContact O-CA 3.2Å; V67-L91 WeakPolarHBondContact O-CD1 3.39Å
68	V	94.5	Very high	93.5	Very high	34 Å²	34	49 Å²	49	21%	0.206	25%	0.248	C	C	.	.	S	Bend	trans	-94.3	-33.3	178.5	177.6	0	0	0	0	110.7	T46 L47 R66 V92 H93	T46-V68 HydrophobicContact CG2-CG1 4.16Å; L47-V68 PolarHBondContact O-N 2.89Å; R66-V68 PolarHBondContact O-N 3.37Å; V68-V92 HydrophobicContact CG1-CB 4.01Å; V68-V92 HydrophobicContact CG1-CG2 3.82Å; V68-V92 PolarHBondContact O-N 2.93Å; V68-H93 PolarHBondContact O-N 2.96Å; V68-H93 VanDerWaalsContact O-N 3.11Å
69	E	94.6	Very high	93.6	Very high	59 Å²	59	45 Å²	45	28%	0.276	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	121.3	177.7	177.2	175.5	160.9	0	0	110.5	L47 T48 M49 V67 R71 H93	L47-E69 PolarHBondContact O-N 3.09Å; T48-E69 WeakPolarHBondContact CA-O 3.41Å; T48-E69 HydrophobicContact CG2-CB 4.03Å; T48-E69 HydrophobicContact CG2-CG 4Å; M49-E69 PolarHBondContact N-O 3.03Å; V67-E69 VanDerWaalsContact CG1-C 3.42Å; V67-E69 WeakPolarHBondContact CG1-O 3.45Å; E69-R71 HydrophobicContact CG-CG 4.09Å; E69-R71 WeakPolarHBondContact OE1-CD 3.45Å; E69-H93 WeakPolarHBondContact CA-O 3.24Å; E69-H93 HydrophobicContact CB-CB 4.26Å; E69-H93 HydrophobicContact CG-CB 3.99Å
70	L	95.1	Very high	93.8	Very high	0 Å²	0	45 Å²	45	0%	0	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.8	179.6	178	60.7	0	0	0	110.2	M49 I63 V67 L72 F85 M88 L91 H93 L94 T95	M49-L70 HydrophobicContact CB-CD1 3.93Å; M49-L70 HydrophobicContact CG-CD1 4.03Å; M49-L70 HydrophobicContact SD-CD1 4.02Å; I63-L70 HydrophobicContact CD1-CD1 4.35Å; I63-L70 HydrophobicContact CD1-CD2 3.98Å; I63-L70 HydrophobicContact CG2-CD2 4.37Å; V67-L70 HydrophobicContact CG1-CB 4.08Å; L70-L72 HydrophobicContact CD1-CD2 4.06Å; L70-L72 HydrophobicContact CD1-CG 4.14Å; L70-L72 HydrophobicContact CD2-CD1 4.13Å; L70-L72 HydrophobicContact CD2-CG 4.41Å; L70-L72 HydrophobicContact CG-CD1 4.32Å; L70-L72 HydrophobicContact CG-CG 4.06Å; L70-F85 HydrophobicContact CD2-CD1 4.34Å; L70-F85 HydrophobicContact CD2-CE1 3.76Å; L70-M88 HydrophobicContact CD2-CE 4.18Å; L70-L91 HydrophobicContact CB-CD1 3.71Å; L70-H93 PolarHBondContact N-O 3.45Å; L70-L94 HydrophobicContact CB-CD1 4.11Å; L70-L94 HydrophobicContact CD2-CD1 3.95Å; L70-L94 HydrophobicContact CG-CD1 4.07Å; L70-T95 PolarHBondContact O-N 3.28Å
71	R	95.6	Very high	94.1	Very high	111 Å²	111	49.9 Å²	49.9	42%	0.419	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	109.4	-179.9	-54	-168.3	45.1	-176.9	6.9	111.4	M49 L50 C51 E69 T95	M49-R71 PolarHBondContact O-N 3.08Å; L50-R71 HydrophobicContact CD2-CB 3.8Å; L50-R71 VanDerWaalsContact CD2-CD 3.45Å; L50-R71 HydrophobicContact CD2-CG 3.7Å; C51-R71 PolarHBondContact N-O 2.88Å; E69-R71 HydrophobicContact CG-CG 4.09Å; E69-R71 WeakPolarHBondContact OE1-CD 3.45Å; R71-T95 HydrophobicContact CB-CG2 3.62Å; R71-T95 HydrophobicContact CG-CG2 3.57Å
72	L	95.9	Very high	94.5	Very high	0 Å²	0	52 Å²	52	0%	0	25%	0.248	C	C	.	.			trans	-113.6	25.9	179.2	-62.5	177.1	0	0	0	111.7	C51 L56 V59 L70 N75 I77 F85 T95 L96 N99	C51-L72 HydrophobicContact CB-CD2 3.66Å; L56-L72 HydrophobicContact CD1-CD2 4.01Å; V59-L72 HydrophobicContact CG1-CD1 4.16Å; V59-L72 HydrophobicContact CG2-CD1 4.09Å; L70-L72 HydrophobicContact CD1-CD2 4.06Å; L70-L72 HydrophobicContact CD1-CG 4.14Å; L70-L72 HydrophobicContact CD2-CD1 4.13Å; L70-L72 HydrophobicContact CD2-CG 4.41Å; L70-L72 HydrophobicContact CG-CD1 4.32Å; L70-L72 HydrophobicContact CG-CG 4.06Å; L72-N75 PolarHBondContact O-ND2 2.6Å; L72-I77 HydrophobicContact CB-CD1 4.14Å; L72-I77 HydrophobicContact CD1-CD1 4.05Å; L72-F85 HydrophobicContact CD1-CZ 4.49Å; L72-T95 PolarHBondContact N-O 3.13Å; L72-L96 HydrophobicContact CB-CD2 3.99Å; L72-L96 HydrophobicContact CD1-CD2 3.73Å; L72-L96 HydrophobicContact CG-CD2 4.46Å; L72-N99 PolarHBondContact O-ND2 3.31Å
73	T	96.4	Very high	94.9	Very high	14 Å²	14	56.7 Å²	56.7	9%	0.086	25%	0.251	C	S	.	.			trans	-60.9	150.9	-176.1	-43.8	0	0	0	0	112.9	A52 K53 N75 T95 S97	A52-T73 WeakPolarHBondContact CA-O 3.31Å; K53-T73 PolarHBondContact N-O 2.6Å; T73-N75 PolarHBondContact O-N 3.43Å; T73-N75 PolarHBondContact O-ND2 2.88Å; T73-T95 WeakPolarHBondContact OG1-CG2 3.47Å; T73-T95 PolarHBondContact OG1-OG1 3.47Å; T73-S97 VanDerWaalsContact CA-O 3.29Å; T73-S97 WeakPolarHBondContact CA-O 3.43Å
74	D	97.2	Very high	95.3	Very high	57 Å²	57	57 Å²	57	31%	0.305	25%	0.253	S	S	.	.	S	Bend	trans	56.6	52	175.3	-65.4	-67.2	0	0	0	112.9	K53 S97 R98	K53-D74 WeakPolarHBondContact CA-O 3.32Å; K53-D74 HydrophobicContact CB-CB 4.48Å; K53-D74 HydrophobicContact CD-CB 4.37Å; K53-D74 VanDerWaalsContact CE-OD2 3.32Å; K53-D74 WeakPolarHBondContact CE-OD2 3.1Å; K53-D74 HydrophobicContact CG-CB 3.4Å; K53-D74 VanDerWaalsContact CG-CB 3.4Å; K53-D74 PolarHBondContact N-O 3.28Å; D74-S97 PolarHBondContact N-O 3.16Å; D74-S97 VanDerWaalsContact N-O 3.17Å; D74-R98 VanDerWaalsContact CA-O 3.25Å; D74-R98 WeakPolarHBondContact CA-O 3.14Å; D74-R98 PolarHBondContact N-O 3.25Å; D74-R98 VanDerWaalsContact OD1-CD 3.31Å; D74-R98 WeakPolarHBondContact OD1-CD 3.27Å
75	N	96.9	Very high	95.7	Very high	4 Å²	4	55.4 Å²	55.4	2%	0.021	24%	0.244	C	C	.	.	S	Bend	trans	-124.6	-169.3	173.9	-75.3	-65	0	0	0	110.1	C51 T54 G55 L56 L72 T73 I77 R98 N99	C51-N75 PolarHBondContact O-ND2 3.37Å; T54-N75 PolarHBondContact N-OD1 3.29Å; T54-N75 PolarHBondContact OG1-OD1 3.44Å; G55-N75 PolarHBondContact N-OD1 2.92Å; L56-N75 HydrophobicContact CB-CB 4.03Å; L56-N75 PolarHBondContact N-OD1 2.82Å; L72-N75 PolarHBondContact O-ND2 2.6Å; T73-N75 PolarHBondContact O-N 3.43Å; T73-N75 PolarHBondContact O-ND2 2.88Å; N75-I77 HydrophobicContact CB-CG1 4.28Å; N75-R98 PolarHBondContact N-O 3.06Å; N75-N99 VanDerWaalsContact CA-OD1 3.31Å; N75-N99 WeakPolarHBondContact CA-OD1 3.15Å; N75-N99 WeakPolarHBondContact CB-OD1 3.32Å; N75-N99 WeakPolarHBondContact O-CA 3.26Å; N75-N99 PolarHBondContact O-OD1 2.93Å
76	F	97.6	Very high	95.8	Very high	126 Å²	126	53 Å²	53	55%	0.553	24%	0.24	S	C	*	.			trans	-119.8	33.8	-179.4	-56.7	-73.3	0	0	0	110.8	L56 L57 A78 N99 T100	L56-F76 CarbonylContact O-C 3.24Å; L56-F76 WeakPolarHBondContact O-CA 3.07Å; L56-F76 PolarHBondContact O-N 3.34Å; L57-F76 HydrophobicContact CD2-CB 3.88Å; F76-A78 PolarHBondContact O-N 3.11Å; F76-N99 PolarHBondContact N-OD1 2.9Å; F76-T100 PolarHBondContact O-OG1 3.46Å
77	I	98	Very high	96.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	24%	0.243	C	C	.	.			trans	-66	122.9	178.5	-59.6	172.7	0	0	0	107.6	L56 L57 V59 L72 N75 L96 N99 T100 I101	L56-I77 HydrophobicContact CB-CG1 4.24Å; L56-I77 PolarHBondContact O-N 2.91Å; L56-I77 VanDerWaalsContact O-N 3.17Å; L57-I77 WeakPolarHBondContact O-CA 3.21Å; V59-I77 HydrophobicContact CG2-CD1 4.22Å; V59-I77 HydrophobicContact CG2-CG2 4.47Å; L72-I77 HydrophobicContact CB-CD1 4.14Å; L72-I77 HydrophobicContact CD1-CD1 4.05Å; N75-I77 HydrophobicContact CB-CG1 4.28Å; I77-L96 HydrophobicContact CD1-CD2 4.07Å; I77-N99 HydrophobicContact CB-CB 4.36Å; I77-N99 WeakPolarHBondContact CB-OD1 3.28Å; I77-N99 WeakPolarHBondContact CG1-OD1 3.49Å; I77-N99 PolarHBondContact N-OD1 3.12Å; I77-T100 CarbonylContact O-C 3.56Å; I77-T100 WeakPolarHBondContact O-CA 3.26Å; I77-T100 PolarHBondContact O-N 2.95Å; I77-T100 PolarHBondContact O-OG1 3.33Å; I77-I101 HydrophobicContact CB-CG1 4.32Å; I77-I101 HydrophobicContact CG2-CD1 4.41Å; I77-I101 HydrophobicContact CG2-CG1 4.11Å; I77-I101 VanDerWaalsContact O-CG1 3.26Å; I77-I101 WeakPolarHBondContact O-CG1 3.33Å; I77-I101 PolarHBondContact O-N 2.95Å
78	A	97.8	Very high	96.3	Very high	53 Å²	53	51.3 Å²	51.3	44%	0.438	24%	0.243	S	C	.	.			trans	-97.9	-25.1	-175.9	0	0	0	0	0	113.5	F76 I101 G102	F76-A78 PolarHBondContact O-N 3.11Å; A78-I101 WeakPolarHBondContact O-CA 3.39Å; A78-G102 PolarHBondContact O-N 3.23Å
79	A	97.8	Very high	96.3	Very high	30 Å²	30	53.2 Å²	53.2	25%	0.248	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	147.7	-178.4	0	0	0	0	0	111.9	Q103	A79-Q103 CarbonylContact C-O 3.14Å; A79-Q103 VanDerWaalsContact CA-O 3.24Å; A79-Q103 WeakPolarHBondContact CA-O 3.14Å; A79-Q103 HydrophobicContact CB-CB 4.22Å
80	V	97.9	Very high	96.4	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.006	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	122.9	172.3	-178.4	0	0	0	0	109.2	F85 L96 I101 Q103 V104 A105 A108 F109	V80-F85 HydrophobicContact CG1-CD2 3.77Å; V80-F85 HydrophobicContact CG1-CE2 3.42Å; V80-F85 VanDerWaalsContact CG1-CE2 3.42Å; V80-L96 HydrophobicContact CG2-CD1 3.94Å; V80-I101 HydrophobicContact CG2-CD1 3.96Å; V80-I101 HydrophobicContact CG2-CG1 4.49Å; V80-I101 HydrophobicContact CG2-CG2 4.15Å; V80-Q103 PolarHBondContact N-O 2.97Å; V80-V104 HydrophobicContact CB-CG2 4.47Å; V80-A105 WeakPolarHBondContact O-CB 3.45Å; V80-A105 PolarHBondContact O-N 3.08Å; V80-A108 HydrophobicContact CG1-CB 3.86Å; V80-F109 HydrophobicContact CG1-CE1 4.07Å; V80-F109 HydrophobicContact CG1-CZ 4.24Å
81	R	97.2	Very high	96.4	Very high	117 Å²	117	53.1 Å²	53.1	44%	0.442	26%	0.26	S	S	.	.			trans	-104.6	155.9	-179.1	-58.5	171.3	176.8	149.9	-6.7	110.6	R83 D84	R81-R83 HydrophobicContact CB-CG 4.23Å; R81-R83 PolarHBondContact O-N 3.24Å; R81-R83 VanDerWaalsContact O-N 3.11Å; R81-D84 PolarHBondContact N-OD2 2.85Å; R81-D84 VanDerWaalsContact O-CB 3.3Å; R81-D84 WeakPolarHBondContact O-CB 3.35Å; R81-D84 PolarHBondContact O-N 2.95Å
82	R	95.4	Very high	96.5	Very high	150 Å²	150	49.1 Å²	49.1	57%	0.566	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-49.9	-38.2	174.8	-174.6	172.8	-178.9	132.6	1.6	114.6	D84	R82-D84 VanDerWaalsContact C-N 3.31Å; R82-D84 PolarHBondContact O-N 2.96Å
83	R	95.8	Very high	96.6	Very high	165 Å²	165	53 Å²	53	62%	0.623	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-17.3	-178.9	66.8	-178	175.6	-148.2	0.8	114.4	R81 F85	R81-R83 HydrophobicContact CB-CG 4.23Å; R81-R83 PolarHBondContact O-N 3.24Å; R81-R83 VanDerWaalsContact O-N 3.11Å; R83-F85 VanDerWaalsContact C-N 3.35Å; R83-F85 PolarHBondContact O-N 3.25Å
84	D	96.1	Very high	96.7	Very high	13 Å²	13	52.5 Å²	52.5	7%	0.07	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	-42.2	-171.2	-66	-10.9	0	0	0	110.1	V59 R65 R81 R82	V59-D84 HydrophobicContact CB-CB 3.76Å; V59-D84 HydrophobicContact CG1-CB 3.97Å; V59-D84 HydrophobicContact CG2-CB 3.98Å; R65-D84 PolarHBondContact NH1-O 3.22Å; R81-D84 PolarHBondContact N-OD2 2.85Å; R81-D84 VanDerWaalsContact O-CB 3.3Å; R81-D84 WeakPolarHBondContact O-CB 3.35Å; R81-D84 PolarHBondContact O-N 2.95Å; R82-D84 VanDerWaalsContact C-N 3.31Å; R82-D84 PolarHBondContact O-N 2.96Å
85	F	96.6	Very high	96.7	Very high	1 Å²	1	50.6 Å²	50.6	0%	0.004	25%	0.253	C	S	.	.	S	Bend	trans	-112.8	14.3	-179.9	-55.4	-57.7	0	0	0	114.4	V59 L70 L72 V80 R83 N87 M88 L94 L96 F109 L112	V59-F85 HydrophobicContact CG1-CE1 3.92Å; V59-F85 HydrophobicContact CG1-CZ 4.25Å; V59-F85 HydrophobicContact CG2-CE1 4.36Å; V59-F85 HydrophobicContact CG2-CE2 4.46Å; V59-F85 HydrophobicContact CG2-CZ 3.84Å; L70-F85 HydrophobicContact CD2-CD1 4.34Å; L70-F85 HydrophobicContact CD2-CE1 3.76Å; L72-F85 HydrophobicContact CD1-CZ 4.49Å; V80-F85 HydrophobicContact CG1-CD2 3.77Å; V80-F85 HydrophobicContact CG1-CE2 3.42Å; V80-F85 VanDerWaalsContact CG1-CE2 3.42Å; R83-F85 VanDerWaalsContact C-N 3.35Å; R83-F85 PolarHBondContact O-N 3.25Å; F85-N87 PolarHBondContact O-N 2.98Å; F85-M88 HydrophobicContact CB-SD 4.37Å; F85-M88 HydrophobicContact CD1-SD 3.89Å; F85-M88 WeakPolarHBondContact O-CB 3.16Å; F85-M88 PolarHBondContact O-N 3.26Å; F85-L94 HydrophobicContact CD1-CD2 4.34Å; F85-L94 HydrophobicContact CD2-CD2 4.21Å; F85-L94 HydrophobicContact CE1-CD1 3.95Å; F85-L94 HydrophobicContact CE1-CD2 4.05Å; F85-L94 HydrophobicContact CE2-CD2 3.89Å; F85-L94 HydrophobicContact CG-CD2 4.43Å; F85-L94 HydrophobicContact CZ-CD1 4.03Å; F85-L94 HydrophobicContact CZ-CD2 3.82Å; F85-L96 HydrophobicContact CE2-CD1 4.02Å; F85-L96 HydrophobicContact CZ-CD1 4Å; F85-L96 HydrophobicContact CZ-CD2 4.26Å; F85-L96 HydrophobicContact CZ-CG 4.48Å; F85-F109 AromaticContact CD2-CD1 3.88Å; F85-F109 HydrophobicContact CD2-CD1 3.88Å; F85-F109 AromaticContact CD2-CE1 3.75Å; F85-F109 HydrophobicContact CD2-CE1 3.75Å; F85-F109 HydrophobicContact CE2-CD1 4.35Å; F85-F109 AromaticContact CE2-CE1 3.76Å; F85-F109 HydrophobicContact CE2-CE1 3.76Å; F85-L112 HydrophobicContact CB-CD1 4.2Å; F85-L112 HydrophobicContact CB-CD2 4.02Å; F85-L112 HydrophobicContact CB-CG 4.26Å; F85-L112 HydrophobicContact CG-CD1 4.46Å
86	A	95.3	Very high	96.8	Very high	25 Å²	25	50.4 Å²	50.4	21%	0.207	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.3	140	178	0	0	0	0	0	111.4	R65 M88 D111	R65-A86 PolarHBondContact NH1-O 3.36Å; A86-M88 PolarHBondContact O-N 3.17Å; A86-M88 VanDerWaalsContact O-N 3.17Å; A86-D111 WeakPolarHBondContact CA-OD2 3.06Å
87	N	95.4	Very high	96.8	Very high	118 Å²	118	44.6 Å²	44.6	63%	0.631	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	20.3	-179.4	-61.4	-25.2	0	0	0	116	F85 T89 D111	F85-N87 PolarHBondContact O-N 2.98Å; N87-T89 VanDerWaalsContact C-N 3.27Å; N87-T89 PolarHBondContact O-N 2.96Å; N87-D111 PolarHBondContact N-OD2 2.92Å
88	M	95.6	Very high	96.8	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	25%	0.252	C	S	.	.			trans	-90	56.8	176.2	-63.2	-172.2	69.6	0	0	111.8	I63 R65 V67 L70 F85 A86 S90 L91 L112	I63-M88 HydrophobicContact CG2-CE 3.72Å; I63-M88 HydrophobicContact CG2-SD 4.34Å; R65-M88 HydrophobicContact CB-CG 4.37Å; V67-M88 HydrophobicContact CB-CE 4.38Å; L70-M88 HydrophobicContact CD2-CE 4.18Å; F85-M88 HydrophobicContact CB-SD 4.37Å; F85-M88 HydrophobicContact CD1-SD 3.89Å; F85-M88 WeakPolarHBondContact O-CB 3.16Å; F85-M88 PolarHBondContact O-N 3.26Å; A86-M88 PolarHBondContact O-N 3.17Å; A86-M88 VanDerWaalsContact O-N 3.17Å; M88-S90 PolarHBondContact O-N 3.37Å; M88-L91 HydrophobicContact CB-CB 4.28Å; M88-L91 HydrophobicContact CE-CD1 4.21Å; M88-L91 HydrophobicContact CE-CD2 4.19Å; M88-L91 WeakPolarHBondContact O-CB 3.39Å; M88-L91 PolarHBondContact O-N 2.85Å; M88-L112 HydrophobicContact CB-CD2 3.67Å; M88-L112 WeakPolarHBondContact O-CD2 3.25Å
89	T	95.4	Very high	96.9	Very high	74 Å²	74	49 Å²	49	45%	0.454	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-18.4	-171.6	56.1	0	0	0	0	114.3	N87 A114	N87-T89 VanDerWaalsContact C-N 3.27Å; N87-T89 PolarHBondContact O-N 2.96Å; T89-A114 WeakPolarHBondContact O-CB 3.44Å
90	S	94.9	Very high	96.9	Very high	56 Å²	56	49.1 Å²	49.1	39%	0.392	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92	-4.1	179.4	-59.3	0	0	0	0	113.6	M88 V92	M88-S90 PolarHBondContact O-N 3.37Å; S90-V92 PolarHBondContact O-N 3.04Å
91	L	96.7	Very high	96.9	Very high	0 Å²	0	49.1 Å²	49.1	0%	0	23%	0.231	C	C	.	.			trans	-72.4	123.1	-177.6	-167.5	70.5	0	0	0	109.9	V67 L70 M88 L94 L112 A114 L115	V67-L91 HydrophobicContact CG1-CD1 4.02Å; V67-L91 WeakPolarHBondContact O-CA 3.2Å; V67-L91 WeakPolarHBondContact O-CD1 3.39Å; L70-L91 HydrophobicContact CB-CD1 3.71Å; M88-L91 HydrophobicContact CB-CB 4.28Å; M88-L91 HydrophobicContact CE-CD1 4.21Å; M88-L91 HydrophobicContact CE-CD2 4.19Å; M88-L91 WeakPolarHBondContact O-CB 3.39Å; M88-L91 PolarHBondContact O-N 2.85Å; L91-L94 HydrophobicContact CD2-CB 4Å; L91-L94 HydrophobicContact CD2-CD1 4.37Å; L91-L94 HydrophobicContact CD2-CD2 4.27Å; L91-L94 HydrophobicContact CD2-CG 4.44Å; L91-L112 HydrophobicContact CB-CD2 4.13Å; L91-L112 HydrophobicContact CD2-CD1 4.34Å; L91-L112 HydrophobicContact CD2-CD2 3.86Å; L91-A114 CarbonylContact O-C 3.49Å; L91-A114 VanDerWaalsContact O-C 3.27Å; L91-L115 HydrophobicContact CB-CD1 4.48Å; L91-L115 HydrophobicContact CD2-CD1 4.12Å; L91-L115 HydrophobicContact CG-CD1 4Å; L91-L115 VanDerWaalsContact O-CA 3.28Å; L91-L115 WeakPolarHBondContact O-CA 3.29Å; L91-L115 PolarHBondContact O-N 3.07Å; L91-L115 VanDerWaalsContact O-N 3.14Å
92	V	97.4	Very high	96.9	Very high	28 Å²	28	45.1 Å²	45.1	17%	0.17	23%	0.227	C	C	.	.			trans	-106.3	-36	-178.7	-177.8	0	0	0	0	111	V68 S90 A114 R116 A117	V68-V92 HydrophobicContact CG1-CB 4.01Å; V68-V92 HydrophobicContact CG1-CG2 3.82Å; V68-V92 PolarHBondContact O-N 2.93Å; S90-V92 PolarHBondContact O-N 3.04Å; V92-A114 HydrophobicContact CG2-CB 4.43Å; V92-R116 HydrophobicContact CG1-CB 4.01Å; V92-R116 HydrophobicContact CG1-CG 3.89Å; V92-R116 PolarHBondContact O-N 2.98Å; V92-A117 PolarHBondContact O-N 3.47Å
93	H	97.6	Very high	97	Very high	82 Å²	82	44.9 Å²	44.9	38%	0.38	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	124.8	-178.8	-59.8	84.5	0	0	0	110.7	V68 E69 L70	V68-H93 PolarHBondContact O-N 2.96Å; V68-H93 VanDerWaalsContact O-N 3.11Å; E69-H93 WeakPolarHBondContact CA-O 3.24Å; E69-H93 HydrophobicContact CB-CB 4.26Å; E69-H93 HydrophobicContact CG-CB 3.99Å; L70-H93 PolarHBondContact N-O 3.45Å
94	L	98	Very high	97.1	Very high	2 Å²	2	37.7 Å²	37.7	1%	0.01	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	119.8	175.8	177.1	56.4	0	0	0	109.8	L70 F85 L91 L96 F109 L112 L115 A117 L118 H119	L70-L94 HydrophobicContact CB-CD1 4.11Å; L70-L94 HydrophobicContact CD2-CD1 3.95Å; L70-L94 HydrophobicContact CG-CD1 4.07Å; F85-L94 HydrophobicContact CD1-CD2 4.34Å; F85-L94 HydrophobicContact CD2-CD2 4.21Å; F85-L94 HydrophobicContact CE1-CD1 3.95Å; F85-L94 HydrophobicContact CE1-CD2 4.05Å; F85-L94 HydrophobicContact CE2-CD2 3.89Å; F85-L94 HydrophobicContact CG-CD2 4.43Å; F85-L94 HydrophobicContact CZ-CD1 4.03Å; F85-L94 HydrophobicContact CZ-CD2 3.82Å; L91-L94 HydrophobicContact CD2-CB 4Å; L91-L94 HydrophobicContact CD2-CD1 4.37Å; L91-L94 HydrophobicContact CD2-CD2 4.27Å; L91-L94 HydrophobicContact CD2-CG 4.44Å; L94-L96 HydrophobicContact CD1-CG 4.28Å; L94-L96 HydrophobicContact CD2-CD1 4.29Å; L94-L96 HydrophobicContact CG-CD1 4.43Å; L94-L96 HydrophobicContact CG-CG 4.41Å; L94-F109 HydrophobicContact CD2-CD1 4.42Å; L94-F109 HydrophobicContact CD2-CE1 4.12Å; L94-L112 HydrophobicContact CD2-CD1 3.97Å; L94-L115 HydrophobicContact CB-CD1 3.79Å; L94-A117 PolarHBondContact N-O 3.43Å; L94-L118 HydrophobicContact CB-CD1 4.2Å; L94-L118 HydrophobicContact CD2-CD1 3.91Å; L94-L118 HydrophobicContact CG-CD1 4.02Å; L94-H119 PolarHBondContact O-N 3.45Å
95	T	98	Very high	97.2	Very high	17 Å²	17	39 Å²	39	10%	0.104	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.6	168.9	171.1	0	0	0	0	111.2	L70 R71 L72 T73 S97	L70-T95 PolarHBondContact O-N 3.28Å; R71-T95 HydrophobicContact CB-CG2 3.62Å; R71-T95 HydrophobicContact CG-CG2 3.57Å; L72-T95 PolarHBondContact N-O 3.13Å; T73-T95 WeakPolarHBondContact OG1-CG2 3.47Å; T73-T95 PolarHBondContact OG1-OG1 3.47Å; T95-S97 WeakPolarHBondContact OG1-CB 3.41Å; T95-S97 PolarHBondContact OG1-N 2.95Å; T95-S97 PolarHBondContact OG1-OG 3.39Å
96	L	98.1	Very high	97.1	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.238	C	C	.	.			trans	-115.7	19.5	172	-74.7	165.6	0	0	0	110.2	L72 I77 V80 F85 L94 N99 I101 H119 L120 N123	L72-L96 HydrophobicContact CB-CD2 3.99Å; L72-L96 HydrophobicContact CD1-CD2 3.73Å; L72-L96 HydrophobicContact CG-CD2 4.46Å; I77-L96 HydrophobicContact CD1-CD2 4.07Å; V80-L96 HydrophobicContact CG2-CD1 3.94Å; F85-L96 HydrophobicContact CE2-CD1 4.02Å; F85-L96 HydrophobicContact CZ-CD1 4Å; F85-L96 HydrophobicContact CZ-CD2 4.26Å; F85-L96 HydrophobicContact CZ-CG 4.48Å; L94-L96 HydrophobicContact CD1-CG 4.28Å; L94-L96 HydrophobicContact CD2-CD1 4.29Å; L94-L96 HydrophobicContact CG-CD1 4.43Å; L94-L96 HydrophobicContact CG-CG 4.41Å; L96-N99 PolarHBondContact O-ND2 3.19Å; L96-I101 HydrophobicContact CB-CD1 3.74Å; L96-I101 HydrophobicContact CD1-CD1 4.09Å; L96-I101 HydrophobicContact CD2-CD1 4.09Å; L96-I101 HydrophobicContact CG-CD1 4.21Å; L96-H119 PolarHBondContact N-O 2.9Å; L96-L120 HydrophobicContact CB-CD2 3.8Å; L96-L120 HydrophobicContact CD1-CD2 3.79Å; L96-L120 HydrophobicContact CG-CD2 4.47Å; L96-N123 PolarHBondContact O-ND2 3.02Å
97	S	98.3	Very high	97.1	Very high	5 Å²	5	40.4 Å²	40.4	4%	0.035	23%	0.231	C	C	.	.			trans	-59.8	150.2	-175.8	-49.1	0	0	0	0	112.1	T73 D74 T95 N99 H119 D121	T73-S97 VanDerWaalsContact CA-O 3.29Å; T73-S97 WeakPolarHBondContact CA-O 3.43Å; D74-S97 PolarHBondContact N-O 3.16Å; D74-S97 VanDerWaalsContact N-O 3.17Å; T95-S97 WeakPolarHBondContact OG1-CB 3.41Å; T95-S97 PolarHBondContact OG1-N 2.95Å; T95-S97 PolarHBondContact OG1-OG 3.39Å; S97-N99 PolarHBondContact O-N 3.5Å; S97-N99 PolarHBondContact O-ND2 3.2Å; S97-H119 WeakPolarHBondContact OG-CB 3.26Å; S97-D121 CarbonylContact C-O 3.44Å; S97-D121 VanDerWaalsContact CA-O 3.26Å; S97-D121 WeakPolarHBondContact CA-O 3.4Å; S97-D121 WeakPolarHBondContact CB-OD1 3.49Å; S97-D121 WeakPolarHBondContact CB-OD2 3.07Å; S97-D121 PolarHBondContact OG-OD1 3.04Å
98	R	98.3	Very high	97.2	Very high	136 Å²	136	34.9 Å²	34.9	51%	0.513	20%	0.202	S	C	.	.	S	Bend	trans	53.6	54.3	177.7	-55.3	-177.1	-133.8	-76.6	-2.4	112.1	D74 N75 D121 S122	D74-R98 VanDerWaalsContact CA-O 3.25Å; D74-R98 WeakPolarHBondContact CA-O 3.14Å; D74-R98 PolarHBondContact N-O 3.25Å; D74-R98 VanDerWaalsContact OD1-CD 3.31Å; D74-R98 WeakPolarHBondContact OD1-CD 3.27Å; N75-R98 PolarHBondContact N-O 3.06Å; R98-D121 PolarHBondContact N-O 3.4Å; R98-S122 VanDerWaalsContact CA-O 3.26Å; R98-S122 WeakPolarHBondContact CA-O 3.48Å; R98-S122 PolarHBondContact N-O 3Å
99	N	98.6	Very high	97.3	Very high	9 Å²	9	35 Å²	35	5%	0.048	20%	0.202	C	C	.	.	S	Bend	trans	-120.1	-167.3	171.7	-85.9	-86.9	0	0	0	109.3	L72 N75 F76 I77 L96 S97 I101 S122 N123	L72-N99 PolarHBondContact O-ND2 3.31Å; N75-N99 VanDerWaalsContact CA-OD1 3.31Å; N75-N99 WeakPolarHBondContact CA-OD1 3.15Å; N75-N99 WeakPolarHBondContact CB-OD1 3.32Å; N75-N99 WeakPolarHBondContact O-CA 3.26Å; N75-N99 PolarHBondContact O-OD1 2.93Å; F76-N99 PolarHBondContact N-OD1 2.9Å; I77-N99 HydrophobicContact CB-CB 4.36Å; I77-N99 WeakPolarHBondContact CB-OD1 3.28Å; I77-N99 WeakPolarHBondContact CG1-OD1 3.49Å; I77-N99 PolarHBondContact N-OD1 3.12Å; L96-N99 PolarHBondContact O-ND2 3.19Å; S97-N99 PolarHBondContact O-N 3.5Å; S97-N99 PolarHBondContact O-ND2 3.2Å; N99-I101 HydrophobicContact CB-CD1 4.11Å; N99-I101 HydrophobicContact CB-CG1 3.95Å; N99-S122 PolarHBondContact N-O 2.91Å; N99-N123 VanDerWaalsContact CA-OD1 3.29Å; N99-N123 WeakPolarHBondContact CA-OD1 3.32Å; N99-N123 WeakPolarHBondContact CB-OD1 3.31Å; N99-N123 PolarHBondContact N-OD1 2.9Å; N99-N123 PolarHBondContact O-OD1 2.88Å
100	T	98.1	Very high	97.4	Very high	33 Å²	33	32.6 Å²	32.6	20%	0.202	19%	0.191	C	C	.	.			trans	-114.8	30.4	176.3	54.8	0	0	0	0	111.5	F76 I77 G102 N123	F76-T100 PolarHBondContact O-OG1 3.46Å; I77-T100 CarbonylContact O-C 3.56Å; I77-T100 WeakPolarHBondContact O-CA 3.26Å; I77-T100 PolarHBondContact O-N 2.95Å; I77-T100 PolarHBondContact O-OG1 3.33Å; T100-G102 PolarHBondContact O-N 2.95Å; T100-G102 VanDerWaalsContact O-N 3.1Å; T100-N123 PolarHBondContact N-OD1 2.97Å
101	I	98.6	Very high	97.4	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	18%	0.182	C	C	.	.			trans	-68.5	112.2	-172.2	-58.9	167.1	0	0	0	108.7	I77 A78 V80 L96 N99 V104 L120 N123 R124 L125	I77-I101 HydrophobicContact CB-CG1 4.32Å; I77-I101 HydrophobicContact CG2-CD1 4.41Å; I77-I101 HydrophobicContact CG2-CG1 4.11Å; I77-I101 VanDerWaalsContact O-CG1 3.26Å; I77-I101 WeakPolarHBondContact O-CG1 3.33Å; I77-I101 PolarHBondContact O-N 2.95Å; A78-I101 WeakPolarHBondContact O-CA 3.39Å; V80-I101 HydrophobicContact CG2-CD1 3.96Å; V80-I101 HydrophobicContact CG2-CG1 4.49Å; V80-I101 HydrophobicContact CG2-CG2 4.15Å; L96-I101 HydrophobicContact CB-CD1 3.74Å; L96-I101 HydrophobicContact CD1-CD1 4.09Å; L96-I101 HydrophobicContact CD2-CD1 4.09Å; L96-I101 HydrophobicContact CG-CD1 4.21Å; N99-I101 HydrophobicContact CB-CD1 4.11Å; N99-I101 HydrophobicContact CB-CG1 3.95Å; I101-V104 HydrophobicContact CG2-CG2 4.13Å; I101-L120 HydrophobicContact CD1-CD2 3.98Å; I101-N123 HydrophobicContact CB-CB 4.25Å; I101-N123 VanDerWaalsContact CB-OD1 3.28Å; I101-N123 WeakPolarHBondContact CB-OD1 3.48Å; I101-N123 WeakPolarHBondContact CG1-OD1 3.28Å; I101-N123 PolarHBondContact N-OD1 3.17Å; I101-R124 CarbonylContact O-C 3.54Å; I101-R124 VanDerWaalsContact O-C 3.25Å; I101-R124 WeakPolarHBondContact O-CA 3.16Å; I101-R124 PolarHBondContact O-N 2.85Å; I101-L125 HydrophobicContact CG2-CD2 4.03Å; I101-L125 PolarHBondContact O-N 3Å
102	G	97.6	Very high	97.4	Very high	34 Å²	34	31.9 Å²	31.9	35%	0.351	18%	0.182	S	C	.	.			trans	-108	-14	172.5	0	0	0	0	0	113.3	A78 T100 R124	A78-G102 PolarHBondContact O-N 3.23Å; T100-G102 PolarHBondContact O-N 2.95Å; T100-G102 VanDerWaalsContact O-N 3.1Å; G102-R124 WeakPolarHBondContact CA-O 3.08Å
103	Q	96.7	Very high	97.3	Very high	145 Å²	145	38.7 Å²	38.7	68%	0.678	21%	0.205	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-136.4	127.3	-175.5	-64.7	-178.6	6.1	0	0	111.4	A79 V80	A79-Q103 CarbonylContact C-O 3.14Å; A79-Q103 VanDerWaalsContact CA-O 3.24Å; A79-Q103 WeakPolarHBondContact CA-O 3.14Å; A79-Q103 HydrophobicContact CB-CB 4.22Å; V80-Q103 PolarHBondContact N-O 2.97Å
104	V	97.9	Very high	97.3	Very high	14 Å²	14	36.3 Å²	36.3	9%	0.085	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	124.5	169.4	179.8	0	0	0	0	107.4	V80 I101 A108 F109 L125 Q132	V80-V104 HydrophobicContact CB-CG2 4.47Å; I101-V104 HydrophobicContact CG2-CG2 4.13Å; V104-A108 HydrophobicContact CG1-CB 3.54Å; V104-F109 HydrophobicContact CG1-CD2 4.41Å; V104-F109 HydrophobicContact CG1-CE2 3.68Å; V104-F109 HydrophobicContact CG1-CZ 4.13Å; V104-L125 HydrophobicContact CG2-CD2 3.92Å; V104-Q132 HydrophobicContact CB-CB 4.4Å; V104-Q132 HydrophobicContact CB-CG 4.18Å; V104-Q132 HydrophobicContact CG1-CB 3.99Å; V104-Q132 HydrophobicContact CG1-CG 4.19Å; V104-Q132 WeakPolarHBondContact O-CG 3.29Å; V104-Q132 PolarHBondContact O-NE2 2.91Å
105	A	97.4	Very high	97.3	Very high	40 Å²	40	36.3 Å²	36.3	33%	0.331	20%	0.199	S	C	.	.			trans	-71.4	151.3	178.3	0	0	0	0	0	111.5	V80 G107 A108	V80-A105 WeakPolarHBondContact O-CB 3.45Å; V80-A105 PolarHBondContact O-N 3.08Å; A105-G107 PolarHBondContact O-N 2.83Å; A105-A108 WeakPolarHBondContact O-CB 3.31Å; A105-A108 PolarHBondContact O-N 3.29Å
106	A	96.3	Very high	97.3	Very high	49 Å²	49	41.2 Å²	41.2	41%	0.405	22%	0.216	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.7	127.3	172.7	0	0	0	0	0	111.4	A108 D131	A106-A108 VanDerWaalsContact C-N 3.26Å; A106-A108 PolarHBondContact O-N 2.8Å; A106-D131 HydrophobicContact CB-CB 4.02Å; A106-D131 VanDerWaalsContact CB-OD2 3.3Å; A106-D131 WeakPolarHBondContact CB-OD2 3.4Å
107	G	95.5	Very high	97.3	Very high	7 Å²	7	41.3 Å²	41.3	7%	0.072	22%	0.217	C	C	.	.	T	Hydrogen-bonded Turn	trans	65.7	24.1	-177.2	0	0	0	0	0	114.2	A105 F109 A110 D131	A105-G107 PolarHBondContact O-N 2.83Å; G107-F109 PolarHBondContact O-N 3.28Å; G107-F109 VanDerWaalsContact O-N 3.17Å; G107-A110 WeakPolarHBondContact O-CB 3.47Å; G107-A110 PolarHBondContact O-N 3.08Å; G107-D131 PolarHBondContact N-O 3.2Å
108	A	97	Very high	97.4	Very high	2 Å²	2	41.1 Å²	41.1	2%	0.017	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.1	-35.3	173.2	0	0	0	0	0	113.3	V80 V104 A105 A106	V80-A108 HydrophobicContact CG1-CB 3.86Å; V104-A108 HydrophobicContact CG1-CB 3.54Å; A105-A108 WeakPolarHBondContact O-CB 3.31Å; A105-A108 PolarHBondContact O-N 3.29Å; A106-A108 VanDerWaalsContact C-N 3.26Å; A106-A108 PolarHBondContact O-N 2.8Å
109	F	97.4	Very high	97.4	Very high	1 Å²	1	37.7 Å²	37.7	0%	0.004	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-110.8	12.4	-175.8	-51.5	-59.2	0	0	0	113.5	V80 F85 L94 V104 G107 D111 L112 L118 L120 Q132 L133 R134 L136	V80-F109 HydrophobicContact CG1-CE1 4.07Å; V80-F109 HydrophobicContact CG1-CZ 4.24Å; F85-F109 AromaticContact CD2-CD1 3.88Å; F85-F109 HydrophobicContact CD2-CD1 3.88Å; F85-F109 AromaticContact CD2-CE1 3.75Å; F85-F109 HydrophobicContact CD2-CE1 3.75Å; F85-F109 HydrophobicContact CE2-CD1 4.35Å; F85-F109 AromaticContact CE2-CE1 3.76Å; F85-F109 HydrophobicContact CE2-CE1 3.76Å; L94-F109 HydrophobicContact CD2-CD1 4.42Å; L94-F109 HydrophobicContact CD2-CE1 4.12Å; V104-F109 HydrophobicContact CG1-CD2 4.41Å; V104-F109 HydrophobicContact CG1-CE2 3.68Å; V104-F109 HydrophobicContact CG1-CZ 4.13Å; G107-F109 PolarHBondContact O-N 3.28Å; G107-F109 VanDerWaalsContact O-N 3.17Å; F109-D111 PolarHBondContact O-N 2.53Å; F109-D111 VanDerWaalsContact O-N 3.11Å; F109-L112 HydrophobicContact CB-CD1 4Å; F109-L112 HydrophobicContact CB-CG 4.39Å; F109-L112 HydrophobicContact CD1-CD1 3.65Å; F109-L112 HydrophobicContact CG-CD1 4.26Å; F109-L112 WeakPolarHBondContact O-CB 3.17Å; F109-L112 PolarHBondContact O-N 2.84Å; F109-L118 HydrophobicContact CD2-CD2 4.3Å; F109-L118 HydrophobicContact CE1-CD1 4.45Å; F109-L118 HydrophobicContact CE2-CD2 4.11Å; F109-L118 HydrophobicContact CZ-CD2 4.32Å; F109-L120 HydrophobicContact CE2-CD1 4.46Å; F109-L120 HydrophobicContact CZ-CD1 4.33Å; F109-Q132 WeakPolarHBondContact CD2-O 3.15Å; F109-L133 HydrophobicContact CD2-CD2 3.97Å; F109-L133 HydrophobicContact CE2-CD2 4.02Å; F109-R134 CarbonylContact C-O 3.59Å; F109-L136 HydrophobicContact CB-CD1 4.3Å; F109-L136 HydrophobicContact CB-CD2 3.83Å; F109-L136 HydrophobicContact CB-CG 4.08Å; F109-L136 HydrophobicContact CD2-CD1 4.43Å
110	A	96.3	Very high	97.4	Very high	25 Å²	25	37.4 Å²	37.4	21%	0.207	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-30.6	-169.9	0	0	0	0	0	114.8	G107 R134	G107-A110 WeakPolarHBondContact O-CB 3.47Å; G107-A110 PolarHBondContact O-N 3.08Å; A110-R134 VanDerWaalsContact CA-O 3.27Å; A110-R134 WeakPolarHBondContact CA-O 3.49Å; A110-R134 PolarHBondContact N-O 3.23Å
111	D	96.4	Very high	97.4	Very high	41 Å²	41	37 Å²	37	22%	0.219	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-3.5	-177.7	-61.7	-24.5	0	0	0	113.1	A86 N87 F109 R113	A86-D111 WeakPolarHBondContact CA-OD2 3.06Å; N87-D111 PolarHBondContact N-OD2 2.92Å; F109-D111 PolarHBondContact O-N 2.53Å; F109-D111 VanDerWaalsContact O-N 3.11Å; D111-R113 PolarHBondContact O-N 3Å
112	L	97.1	Very high	97.4	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	21%	0.209	C	C	.	.			trans	-80.7	53.7	-176.5	-61.5	-170.7	0	0	0	112.4	F85 M88 L91 L94 F109 A114 L115 L136	F85-L112 HydrophobicContact CB-CD1 4.2Å; F85-L112 HydrophobicContact CB-CD2 4.02Å; F85-L112 HydrophobicContact CB-CG 4.26Å; F85-L112 HydrophobicContact CG-CD1 4.46Å; M88-L112 HydrophobicContact CB-CD2 3.67Å; M88-L112 WeakPolarHBondContact O-CD2 3.25Å; L91-L112 HydrophobicContact CB-CD2 4.13Å; L91-L112 HydrophobicContact CD2-CD1 4.34Å; L91-L112 HydrophobicContact CD2-CD2 3.86Å; L94-L112 HydrophobicContact CD2-CD1 3.97Å; F109-L112 HydrophobicContact CB-CD1 4Å; F109-L112 HydrophobicContact CB-CG 4.39Å; F109-L112 HydrophobicContact CD1-CD1 3.65Å; F109-L112 HydrophobicContact CG-CD1 4.26Å; F109-L112 WeakPolarHBondContact O-CB 3.17Å; F109-L112 PolarHBondContact O-N 2.84Å; L112-A114 VanDerWaalsContact C-N 3.27Å; L112-A114 PolarHBondContact O-N 3.46Å; L112-L115 HydrophobicContact CB-CB 3.96Å; L112-L115 HydrophobicContact CB-CD2 4.35Å; L112-L115 HydrophobicContact CD1-CD1 4.44Å; L112-L115 HydrophobicContact CD1-CD2 3.9Å; L112-L115 VanDerWaalsContact O-CB 3.26Å; L112-L115 WeakPolarHBondContact O-CB 3.09Å; L112-L115 PolarHBondContact O-N 2.78Å; L112-L115 VanDerWaalsContact O-N 3.1Å; L112-L136 HydrophobicContact CB-CD2 4.13Å
113	R	95.1	Very high	97.4	Very high	171 Å²	171	36.9 Å²	36.9	65%	0.645	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65	-25.3	-170.7	-61.5	-175.2	-177	-176.4	0.7	114.4	D111 N138	D111-R113 PolarHBondContact O-N 3Å; R113-N138 PolarHBondContact O-ND2 2.87Å
114	A	96.8	Very high	97.5	Very high	32 Å²	32	36.9 Å²	36.9	26%	0.264	19%	0.187	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	1.5	178.6	0	0	0	0	0	113.4	T89 L91 V92 L112 R116	T89-A114 WeakPolarHBondContact O-CB 3.44Å; L91-A114 CarbonylContact O-C 3.49Å; L91-A114 VanDerWaalsContact O-C 3.27Å; V92-A114 HydrophobicContact CG2-CB 4.43Å; L112-A114 VanDerWaalsContact C-N 3.27Å; L112-A114 PolarHBondContact O-N 3.46Å; A114-R116 PolarHBondContact O-N 3.03Å
115	L	98.3	Very high	97.5	Very high	1 Å²	1	36.5 Å²	36.5	1%	0.005	19%	0.185	C	C	.	.			trans	-68.8	127.6	-173	-161.9	78	0	0	0	110.6	L91 L94 L112 L118 L136 N138 L139	L91-L115 HydrophobicContact CB-CD1 4.48Å; L91-L115 HydrophobicContact CD2-CD1 4.12Å; L91-L115 HydrophobicContact CG-CD1 4Å; L91-L115 VanDerWaalsContact O-CA 3.28Å; L91-L115 WeakPolarHBondContact O-CA 3.29Å; L91-L115 PolarHBondContact O-N 3.07Å; L91-L115 VanDerWaalsContact O-N 3.14Å; L94-L115 HydrophobicContact CB-CD1 3.79Å; L112-L115 HydrophobicContact CB-CB 3.96Å; L112-L115 HydrophobicContact CB-CD2 4.35Å; L112-L115 HydrophobicContact CD1-CD1 4.44Å; L112-L115 HydrophobicContact CD1-CD2 3.9Å; L112-L115 VanDerWaalsContact O-CB 3.26Å; L112-L115 WeakPolarHBondContact O-CB 3.09Å; L112-L115 PolarHBondContact O-N 2.78Å; L112-L115 VanDerWaalsContact O-N 3.1Å; L115-L118 HydrophobicContact CD2-CB 3.96Å; L115-L118 HydrophobicContact CD2-CD1 4.39Å; L115-L136 HydrophobicContact CB-CD2 4.17Å; L115-L136 HydrophobicContact CD2-CD2 3.57Å; L115-L136 HydrophobicContact CG-CD2 4.49Å; L115-N138 CarbonylContact O-C 3.56Å; L115-L139 HydrophobicContact CD2-CD1 4.12Å; L115-L139 HydrophobicContact CG-CD1 4.35Å; L115-L139 WeakPolarHBondContact O-CA 3.39Å; L115-L139 PolarHBondContact O-N 3.16Å
116	R	98.3	Very high	97.5	Very high	120 Å²	120	37.2 Å²	37.2	45%	0.453	19%	0.191	S	C	.	.			trans	-110.3	-32.6	178.2	-65.8	-177.9	-177.3	-167.9	-0.5	112.2	V92 A114 R140 H141	V92-R116 HydrophobicContact CG1-CB 4.01Å; V92-R116 HydrophobicContact CG1-CG 3.89Å; V92-R116 PolarHBondContact O-N 2.98Å; A114-R116 PolarHBondContact O-N 3.03Å; R116-R140 WeakPolarHBondContact O-CA 3.45Å; R116-R140 PolarHBondContact O-N 2.74Å; R116-H141 PolarHBondContact O-N 3.09Å
117	A	98.5	Very high	97.6	Very high	3 Å²	3	38.7 Å²	38.7	3%	0.025	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	124.2	-179.2	0	0	0	0	0	110.9	V92 L94 H141	V92-A117 PolarHBondContact O-N 3.47Å; L94-A117 PolarHBondContact N-O 3.43Å; A117-H141 WeakPolarHBondContact CA-O 3.31Å; A117-H141 HydrophobicContact CB-CB 4.29Å
118	L	98.6	Very high	97.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	115	173.9	179	57.4	0	0	0	109.7	L94 F109 L115 L120 L133 L136 L139 H141 L142 I143	L94-L118 HydrophobicContact CB-CD1 4.2Å; L94-L118 HydrophobicContact CD2-CD1 3.91Å; L94-L118 HydrophobicContact CG-CD1 4.02Å; F109-L118 HydrophobicContact CD2-CD2 4.3Å; F109-L118 HydrophobicContact CE1-CD1 4.45Å; F109-L118 HydrophobicContact CE2-CD2 4.11Å; F109-L118 HydrophobicContact CZ-CD2 4.32Å; L115-L118 HydrophobicContact CD2-CB 3.96Å; L115-L118 HydrophobicContact CD2-CD1 4.39Å; L118-L120 HydrophobicContact CD1-CD1 4.29Å; L118-L120 HydrophobicContact CD1-CG 4.23Å; L118-L120 HydrophobicContact CD2-CD1 3.94Å; L118-L120 HydrophobicContact CG-CD1 4.04Å; L118-L120 HydrophobicContact CG-CG 4.28Å; L118-L133 HydrophobicContact CD2-CD2 4.4Å; L118-L136 HydrophobicContact CD2-CD1 3.88Å; L118-L139 HydrophobicContact CB-CD1 3.83Å; L118-H141 PolarHBondContact N-O 2.8Å; L118-L142 HydrophobicContact CB-CD1 4.18Å; L118-L142 HydrophobicContact CD2-CD1 4.07Å; L118-L142 HydrophobicContact CG-CD1 4.18Å; L118-I143 PolarHBondContact O-N 3.06Å
119	H	98.7	Very high	97.6	Very high	65 Å²	65	42.7 Å²	42.7	30%	0.301	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	116.8	177.5	-65	-134.6	0	0	0	109.8	L94 L96 S97	L94-H119 PolarHBondContact O-N 3.45Å; L96-H119 PolarHBondContact N-O 2.9Å; S97-H119 WeakPolarHBondContact OG-CB 3.26Å
120	L	98.4	Very high	97.2	Very high	2 Å²	2	42.9 Å²	42.9	1%	0.01	21%	0.205	C	C	.	.			trans	-124.8	17.5	177.5	-79.2	164.9	0	0	0	110.8	L96 I101 F109 L118 N123 L125 I143 L144 N147	L96-L120 HydrophobicContact CB-CD2 3.8Å; L96-L120 HydrophobicContact CD1-CD2 3.79Å; L96-L120 HydrophobicContact CG-CD2 4.47Å; I101-L120 HydrophobicContact CD1-CD2 3.98Å; F109-L120 HydrophobicContact CE2-CD1 4.46Å; F109-L120 HydrophobicContact CZ-CD1 4.33Å; L118-L120 HydrophobicContact CD1-CD1 4.29Å; L118-L120 HydrophobicContact CD1-CG 4.23Å; L118-L120 HydrophobicContact CD2-CD1 3.94Å; L118-L120 HydrophobicContact CG-CD1 4.04Å; L118-L120 HydrophobicContact CG-CG 4.28Å; L120-N123 WeakPolarHBondContact O-CB 3.35Å; L120-N123 PolarHBondContact O-ND2 2.83Å; L120-L125 HydrophobicContact CB-CD1 4.26Å; L120-L125 HydrophobicContact CD1-CD1 4.38Å; L120-I143 CarbonylContact C-O 3.48Å; L120-I143 PolarHBondContact N-O 2.75Å; L120-L144 HydrophobicContact CB-CD2 3.69Å; L120-L144 HydrophobicContact CD1-CD2 4.02Å; L120-N147 PolarHBondContact O-ND2 3.18Å
121	D	98.6	Very high	97.1	Very high	24 Å²	24	44.2 Å²	44.2	13%	0.128	21%	0.208	C	C	.	.			trans	-64	154.3	-179.5	64.2	-78.3	0	0	0	113.1	S97 R98 N123 I143 G145	S97-D121 CarbonylContact C-O 3.44Å; S97-D121 VanDerWaalsContact CA-O 3.26Å; S97-D121 WeakPolarHBondContact CA-O 3.4Å; S97-D121 WeakPolarHBondContact CB-OD1 3.49Å; S97-D121 WeakPolarHBondContact CB-OD2 3.07Å; S97-D121 PolarHBondContact OG-OD1 3.04Å; R98-D121 PolarHBondContact N-O 3.4Å; D121-N123 PolarHBondContact O-N 3.33Å; D121-N123 PolarHBondContact O-ND2 3.25Å; D121-I143 HydrophobicContact CB-CG2 4.02Å; D121-I143 PolarHBondContact N-O 2.94Å; D121-G145 CarbonylContact C-O 3.11Å; D121-G145 WeakPolarHBondContact CA-O 3.12Å; D121-G145 WeakPolarHBondContact CB-O 3.33Å
122	S	98.6	Very high	97.1	Very high	26 Å²	26	43.2 Å²	43.2	18%	0.182	20%	0.202	C	C	.	.	S	Bend	trans	56	50.6	-179.8	-52.4	0	0	0	0	112.3	R98 N99 G145 N146	R98-S122 VanDerWaalsContact CA-O 3.26Å; R98-S122 WeakPolarHBondContact CA-O 3.48Å; R98-S122 PolarHBondContact N-O 3Å; N99-S122 PolarHBondContact N-O 2.91Å; S122-G145 PolarHBondContact N-O 2.99Å; S122-N146 WeakPolarHBondContact CA-O 3.34Å; S122-N146 PolarHBondContact N-O 3.39Å; S122-N146 PolarHBondContact OG-ND2 3.47Å
123	N	98.7	Very high	97	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.037	20%	0.204	C	C	.	.	S	Bend	trans	-121.8	-158.4	175.5	-85.7	-74.7	0	0	0	110.1	L96 N99 T100 I101 L120 D121 N146 N147	L96-N123 PolarHBondContact O-ND2 3.02Å; N99-N123 VanDerWaalsContact CA-OD1 3.29Å; N99-N123 WeakPolarHBondContact CA-OD1 3.32Å; N99-N123 WeakPolarHBondContact CB-OD1 3.31Å; N99-N123 PolarHBondContact N-OD1 2.9Å; N99-N123 PolarHBondContact O-OD1 2.88Å; T100-N123 PolarHBondContact N-OD1 2.97Å; I101-N123 HydrophobicContact CB-CB 4.25Å; I101-N123 VanDerWaalsContact CB-OD1 3.28Å; I101-N123 WeakPolarHBondContact CB-OD1 3.48Å; I101-N123 WeakPolarHBondContact CG1-OD1 3.28Å; I101-N123 PolarHBondContact N-OD1 3.17Å; L120-N123 WeakPolarHBondContact O-CB 3.35Å; L120-N123 PolarHBondContact O-ND2 2.83Å; D121-N123 PolarHBondContact O-N 3.33Å; D121-N123 PolarHBondContact O-ND2 3.25Å; N123-N146 PolarHBondContact N-O 3.49Å; N123-N147 VanDerWaalsContact CA-OD1 3.27Å; N123-N147 WeakPolarHBondContact CA-OD1 3.17Å; N123-N147 WeakPolarHBondContact CB-OD1 3.4Å; N123-N147 PolarHBondContact N-OD1 3.03Å; N123-N147 PolarHBondContact O-OD1 3.37Å
124	R	98.3	Very high	96.9	Very high	144 Å²	144	43 Å²	43	54%	0.543	20%	0.202	S	C	.	.			trans	-128.5	31.8	-176.9	-57.8	-177.8	-178.1	-177.4	-0.2	111.7	I101 G102 A126 N147	I101-R124 CarbonylContact O-C 3.54Å; I101-R124 VanDerWaalsContact O-C 3.25Å; I101-R124 WeakPolarHBondContact O-CA 3.16Å; I101-R124 PolarHBondContact O-N 2.85Å; G102-R124 WeakPolarHBondContact CA-O 3.08Å; R124-A126 PolarHBondContact O-N 2.94Å; R124-N147 PolarHBondContact N-OD1 3.33Å
125	L	98.3	Very high	96.6	Very high	7 Å²	7	43 Å²	43	4%	0.037	21%	0.206	C	C	.	.			trans	-68.2	128.4	179.4	-63.4	173.9	0	0	0	109.7	I101 V104 L120 L144 N147 Q148 I149	I101-L125 HydrophobicContact CG2-CD2 4.03Å; I101-L125 PolarHBondContact O-N 3Å; V104-L125 HydrophobicContact CG2-CD2 3.92Å; L120-L125 HydrophobicContact CB-CD1 4.26Å; L120-L125 HydrophobicContact CD1-CD1 4.38Å; L125-L144 HydrophobicContact CD1-CD2 3.71Å; L125-N147 HydrophobicContact CB-CB 4.29Å; L125-N147 WeakPolarHBondContact CB-OD1 3.46Å; L125-N147 PolarHBondContact N-OD1 3.49Å; L125-Q148 CarbonylContact O-C 3.56Å; L125-Q148 VanDerWaalsContact O-CA 3.31Å; L125-Q148 WeakPolarHBondContact O-CA 3.22Å; L125-Q148 PolarHBondContact O-N 3.06Å; L125-I149 HydrophobicContact CB-CD1 4.48Å; L125-I149 HydrophobicContact CB-CG1 4.04Å; L125-I149 WeakPolarHBondContact O-CG1 3.37Å; L125-I149 PolarHBondContact O-N 2.84Å; L125-I149 VanDerWaalsContact O-N 3.09Å
126	A	97.6	Very high	96.5	Very high	55 Å²	55	43 Å²	43	46%	0.455	21%	0.206	S	C	.	.			trans	-98.9	-26.9	-179.8	0	0	0	0	0	113.2	R124 Q148 I149 R150	R124-A126 PolarHBondContact O-N 2.94Å; A126-Q148 WeakPolarHBondContact CA-O 3.49Å; A126-I149 WeakPolarHBondContact O-CA 3.5Å; A126-R150 PolarHBondContact O-N 2.93Å
127	E	97.1	Very high	96.3	Very high	80 Å²	80	39 Å²	39	37%	0.374	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	156.3	178.4	60.9	176.8	-155.6	0	0	110.3	R129 K151	E127-R129 HydrophobicContact CG-CG 4.24Å; E127-R129 VanDerWaalsContact OE1-CD 3.28Å; E127-R129 WeakPolarHBondContact OE1-CD 3.14Å; E127-R129 IonicContact OE1-CZ 3.32Å; E127-R129 IonicContact OE1-NE 3.43Å; E127-R129 IonicContact OE1-NH1 2.83Å; E127-R129 PolarHBondContact OE1-NH1 2.83Å; E127-R129 IonicContact OE2-NH1 3.86Å; E127-K151 WeakPolarHBondContact CA-O 3.45Å
128	V	96.9	Very high	96.3	Very high	5 Å²	5	43.1 Å²	43.1	3%	0.03	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	119.2	171.9	-175.7	0	0	0	0	108.7	L133 L144 I149 K151 V152 E153 A156	V128-L133 HydrophobicContact CG1-CD1 3.6Å; V128-L133 HydrophobicContact CG1-CG 4.15Å; V128-L144 HydrophobicContact CG2-CD1 4.22Å; V128-I149 HydrophobicContact CG2-CD1 3.81Å; V128-I149 HydrophobicContact CG2-CG1 4.28Å; V128-I149 HydrophobicContact CG2-CG2 4.1Å; V128-K151 PolarHBondContact N-O 3.36Å; V128-V152 HydrophobicContact CB-CG1 4.2Å; V128-V152 HydrophobicContact CB-CG2 4.21Å; V128-V152 HydrophobicContact CG2-CG2 4.37Å; V128-E153 PolarHBondContact O-N 3.01Å; V128-A156 HydrophobicContact CG1-CB 3.88Å
129	R	95.6	Very high	96.3	Very high	88 Å²	88	43.1 Å²	43.1	33%	0.332	22%	0.224	S	C	.	.			trans	-106.7	153.7	-174.7	-54	-179.8	73.8	87.3	14.9	112.4	E127 D131 Q132 E153	E127-R129 HydrophobicContact CG-CG 4.24Å; E127-R129 VanDerWaalsContact OE1-CD 3.28Å; E127-R129 WeakPolarHBondContact OE1-CD 3.14Å; E127-R129 IonicContact OE1-CZ 3.32Å; E127-R129 IonicContact OE1-NE 3.43Å; E127-R129 IonicContact OE1-NH1 2.83Å; E127-R129 PolarHBondContact OE1-NH1 2.83Å; E127-R129 IonicContact OE2-NH1 3.86Å; R129-D131 WeakPolarHBondContact CB-OD1 3.3Å; R129-D131 IonicContact NE-OD1 3.44Å; R129-D131 PolarHBondContact O-N 3.27Å; R129-Q132 HydrophobicContact CB-CG 4.08Å; R129-Q132 PolarHBondContact O-N 3.26Å; R129-E153 WeakPolarHBondContact CA-OE2 3.45Å; R129-E153 IonicContact CZ-OE1 3.78Å; R129-E153 IonicContact NE-OE1 3.08Å; R129-E153 IonicContact NH2-OE1 3.95Å; R129-E153 PolarHBondContact NH2-OE1 2.95Å; R129-E153 VanDerWaalsContact NH2-OE1 3.08Å
130	G	90	Very high	96.2	Very high	5 Å²	5	44.5 Å²	44.5	5%	0.052	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-29.1	-179.7	0	0	0	0	0	115.3	R134 E153 A155	G130-R134 VanDerWaalsContact O-CG 3.23Å; G130-R134 WeakPolarHBondContact O-CG 3.42Å; G130-E153 PolarHBondContact N-OE2 3.03Å; G130-A155 VanDerWaalsContact CA-C 3.43Å; G130-A155 WeakPolarHBondContact CA-O 3.34Å
131	D	93.8	Very high	96.2	Very high	52 Å²	52	47 Å²	47	28%	0.278	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	-21.5	-179.1	62	-15.8	0	0	0	113.7	A106 G107 R129	A106-D131 HydrophobicContact CB-CB 4.02Å; A106-D131 VanDerWaalsContact CB-OD2 3.3Å; A106-D131 WeakPolarHBondContact CB-OD2 3.4Å; G107-D131 PolarHBondContact N-O 3.2Å; R129-D131 WeakPolarHBondContact CB-OD1 3.3Å; R129-D131 IonicContact NE-OD1 3.44Å; R129-D131 PolarHBondContact O-N 3.27Å
132	Q	95.4	Very high	96.2	Very high	21 Å²	21	45.9 Å²	45.9	10%	0.098	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-41	-177.1	-69	171.4	-27	0	0	112.7	V104 F109 R129	V104-Q132 HydrophobicContact CB-CB 4.4Å; V104-Q132 HydrophobicContact CB-CG 4.18Å; V104-Q132 HydrophobicContact CG1-CB 3.99Å; V104-Q132 HydrophobicContact CG1-CG 4.19Å; V104-Q132 WeakPolarHBondContact O-CG 3.29Å; V104-Q132 PolarHBondContact O-NE2 2.91Å; F109-Q132 WeakPolarHBondContact CD2-O 3.15Å; R129-Q132 HydrophobicContact CB-CG 4.08Å; R129-Q132 PolarHBondContact O-N 3.26Å
133	L	94.9	Very high	96.2	Very high	7 Å²	7	46.2 Å²	46.2	4%	0.037	23%	0.231	C	C	.	.	S	Bend	trans	-96.8	12.2	-174.2	-58.2	-174.7	0	0	0	114.1	F109 L118 V128 L136 L142 F160	F109-L133 HydrophobicContact CD2-CD2 3.97Å; F109-L133 HydrophobicContact CE2-CD2 4.02Å; L118-L133 HydrophobicContact CD2-CD2 4.4Å; V128-L133 HydrophobicContact CG1-CD1 3.6Å; V128-L133 HydrophobicContact CG1-CG 4.15Å; L133-L136 HydrophobicContact CB-CD1 4.12Å; L133-L136 HydrophobicContact CD2-CD1 4.08Å; L133-L136 WeakPolarHBondContact O-CG 3.39Å; L133-L142 HydrophobicContact CD1-CD2 4.1Å; L133-F160 HydrophobicContact CB-CE1 4.03Å; L133-F160 HydrophobicContact CD1-CE1 3.84Å; L133-F160 HydrophobicContact CD1-CZ 3.95Å
134	R	93.3	Very high	96.2	Very high	158 Å²	158	46 Å²	46	60%	0.596	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.7	146.3	176.8	-67.3	-173.4	175.6	-177.4	-0.4	111.4	F109 A110 G130 L136	F109-R134 CarbonylContact C-O 3.59Å; A110-R134 VanDerWaalsContact CA-O 3.27Å; A110-R134 WeakPolarHBondContact CA-O 3.49Å; A110-R134 PolarHBondContact N-O 3.23Å; G130-R134 VanDerWaalsContact O-CG 3.23Å; G130-R134 WeakPolarHBondContact O-CG 3.42Å; R134-L136 VanDerWaalsContact C-N 3.34Å
135	G	91.2	Very high	96.2	Very high	34 Å²	34	39.4 Å²	39.4	35%	0.351	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	88.5	-6.5	175	0	0	0	0	0	115	G137	G135-G137 PolarHBondContact O-N 2.92Å
136	L	96	Very high	96.2	Very high	0 Å²	0	43.1 Å²	43.1	0%	0	23%	0.226	C	C	.	.			trans	-79.1	44.7	179.4	-64.9	-177.1	0	0	0	113.4	F109 L112 L115 L118 L133 R134 N138 L139 F160	F109-L136 HydrophobicContact CB-CD1 4.3Å; F109-L136 HydrophobicContact CB-CD2 3.83Å; F109-L136 HydrophobicContact CB-CG 4.08Å; F109-L136 HydrophobicContact CD2-CD1 4.43Å; L112-L136 HydrophobicContact CB-CD2 4.13Å; L115-L136 HydrophobicContact CB-CD2 4.17Å; L115-L136 HydrophobicContact CD2-CD2 3.57Å; L115-L136 HydrophobicContact CG-CD2 4.49Å; L118-L136 HydrophobicContact CD2-CD1 3.88Å; L133-L136 HydrophobicContact CB-CD1 4.12Å; L133-L136 HydrophobicContact CD2-CD1 4.08Å; L133-L136 WeakPolarHBondContact O-CG 3.39Å; R134-L136 VanDerWaalsContact C-N 3.34Å; L136-N138 PolarHBondContact O-N 3.36Å; L136-L139 HydrophobicContact CB-CB 4.1Å; L136-L139 HydrophobicContact CB-CD2 4.34Å; L136-L139 HydrophobicContact CD1-CD2 4.02Å; L136-L139 VanDerWaalsContact O-CB 3.32Å; L136-L139 WeakPolarHBondContact O-CB 3.18Å; L136-L139 PolarHBondContact O-N 2.88Å; L136-L139 VanDerWaalsContact O-N 3.17Å; L136-F160 HydrophobicContact CB-CD1 4.22Å
137	G	94.9	Very high	96.3	Very high	37 Å²	37	40.9 Å²	40.9	38%	0.381	21%	0.207	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-5.5	-171.8	0	0	0	0	0	117.2	G135 A159 T163	G135-G137 PolarHBondContact O-N 2.92Å; G137-A159 VanDerWaalsContact CA-O 3.31Å; G137-A159 WeakPolarHBondContact CA-O 3.41Å; G137-T163 WeakPolarHBondContact O-CG2 3.27Å
138	N	97.1	Very high	96.3	Very high	89 Å²	89	41.7 Å²	41.7	48%	0.476	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-125	15.4	178.5	-72.5	-63.5	0	0	0	112	R113 L115 L136	R113-N138 PolarHBondContact O-ND2 2.87Å; L115-N138 CarbonylContact O-C 3.56Å; L136-N138 PolarHBondContact O-N 3.36Å
139	L	98	Very high	96.4	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	21%	0.209	C	C	.	.			trans	-70.4	132.1	-176.2	-166.4	75.2	0	0	0	110.1	L115 L118 L136 L142 F160 T163 V164	L115-L139 HydrophobicContact CD2-CD1 4.12Å; L115-L139 HydrophobicContact CG-CD1 4.35Å; L115-L139 WeakPolarHBondContact O-CA 3.39Å; L115-L139 PolarHBondContact O-N 3.16Å; L118-L139 HydrophobicContact CB-CD1 3.83Å; L136-L139 HydrophobicContact CB-CB 4.1Å; L136-L139 HydrophobicContact CB-CD2 4.34Å; L136-L139 HydrophobicContact CD1-CD2 4.02Å; L136-L139 VanDerWaalsContact O-CB 3.32Å; L136-L139 WeakPolarHBondContact O-CB 3.18Å; L136-L139 PolarHBondContact O-N 2.88Å; L136-L139 VanDerWaalsContact O-N 3.17Å; L139-L142 HydrophobicContact CD2-CB 3.92Å; L139-L142 HydrophobicContact CD2-CD1 4.32Å; L139-L142 HydrophobicContact CD2-CD2 4.35Å; L139-L142 HydrophobicContact CD2-CG 4.42Å; L139-F160 HydrophobicContact CB-CB 3.99Å; L139-F160 HydrophobicContact CB-CG 4.41Å; L139-F160 HydrophobicContact CD2-CD1 3.98Å; L139-F160 HydrophobicContact CD2-CE1 4.25Å; L139-F160 HydrophobicContact CD2-CG 4.16Å; L139-T163 CarbonylContact O-C 3.13Å; L139-T163 WeakPolarHBondContact O-CB 3.36Å; L139-T163 VanDerWaalsContact O-O 3.11Å; L139-T163 PolarHBondContact O-OG1 2.81Å; L139-V164 WeakPolarHBondContact O-CA 3.23Å; L139-V164 PolarHBondContact O-N 2.78Å
140	R	98.3	Very high	96.5	Very high	94 Å²	94	45.7 Å²	45.7	36%	0.355	23%	0.225	S	C	.	.			trans	-114.2	-39.8	179.6	-65.4	-178.9	176.9	-145.2	-1.8	111.9	R116 E165 D166	R116-R140 WeakPolarHBondContact O-CA 3.45Å; R116-R140 PolarHBondContact O-N 2.74Å; R140-E165 HydrophobicContact CB-CB 4.44Å; R140-E165 HydrophobicContact CB-CG 4.32Å; R140-E165 VanDerWaalsContact CD-OE1 3.27Å; R140-E165 WeakPolarHBondContact CD-OE1 3.43Å; R140-E165 HydrophobicContact CG-CG 4.43Å; R140-E165 IonicContact CZ-OE1 3.95Å; R140-E165 VanDerWaalsContact CZ-OE1 3.32Å; R140-E165 IonicContact NE-OE1 3.82Å; R140-E165 PolarHBondContact NE-OE1 2.77Å; R140-E165 IonicContact NH1-OE1 3.55Å; R140-E165 PolarHBondContact NH1-OE1 3.46Å; R140-E165 PolarHBondContact O-N 3Å; R140-D166 PolarHBondContact O-N 2.82Å
141	H	98.5	Very high	96.8	Very high	55 Å²	55	51.7 Å²	51.7	26%	0.255	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	118.5	-178.1	-45.9	-73.1	0	0	0	109.6	R116 A117 L118 D166	R116-H141 PolarHBondContact O-N 3.09Å; A117-H141 WeakPolarHBondContact CA-O 3.31Å; A117-H141 HydrophobicContact CB-CB 4.29Å; L118-H141 PolarHBondContact N-O 2.8Å; H141-D166 WeakPolarHBondContact CA-O 3.35Å; H141-D166 IonicContact CE1-OD2 3.19Å; H141-D166 PolarHBondContact CE1-OD2 3.49Å; H141-D166 IonicContact ND1-OD2 3.9Å; H141-D166 PolarHBondContact ND1-OD2 3.17Å
142	L	98.4	Very high	97	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	108.7	174	179.4	56.3	0	0	0	109.4	L118 L133 L139 L144 F160 D166 L167 D168	L118-L142 HydrophobicContact CB-CD1 4.18Å; L118-L142 HydrophobicContact CD2-CD1 4.07Å; L118-L142 HydrophobicContact CG-CD1 4.18Å; L133-L142 HydrophobicContact CD1-CD2 4.1Å; L139-L142 HydrophobicContact CD2-CB 3.92Å; L139-L142 HydrophobicContact CD2-CD1 4.32Å; L139-L142 HydrophobicContact CD2-CD2 4.35Å; L139-L142 HydrophobicContact CD2-CG 4.42Å; L142-L144 HydrophobicContact CD1-CD1 4.06Å; L142-L144 HydrophobicContact CD1-CG 4.02Å; L142-L144 HydrophobicContact CD2-CD1 3.88Å; L142-L144 HydrophobicContact CG-CD1 3.86Å; L142-L144 HydrophobicContact CG-CG 4.12Å; L142-F160 HydrophobicContact CD2-CE1 4.33Å; L142-F160 HydrophobicContact CD2-CE2 4.03Å; L142-F160 HydrophobicContact CD2-CZ 3.58Å; L142-D166 PolarHBondContact N-O 3.31Å; L142-L167 HydrophobicContact CB-CD1 4.01Å; L142-L167 HydrophobicContact CD2-CD1 3.92Å; L142-L167 HydrophobicContact CG-CD1 4.01Å; L142-D168 PolarHBondContact O-N 3.31Å
143	I	98.6	Very high	97	Very high	32 Å²	32	51.4 Å²	51.4	16%	0.164	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	107.5	-176.8	-44.7	-57.5	0	0	0	109	L118 L120 D121 D168	L118-I143 PolarHBondContact O-N 3.06Å; L120-I143 CarbonylContact C-O 3.48Å; L120-I143 PolarHBondContact N-O 2.75Å; D121-I143 HydrophobicContact CB-CG2 4.02Å; D121-I143 PolarHBondContact N-O 2.94Å; I143-D168 HydrophobicContact CD1-CB 3.92Å; I143-D168 HydrophobicContact CG2-CB 4.1Å; I143-D168 WeakPolarHBondContact CG2-OD2 3.43Å
144	L	98.4	Very high	96.9	Very high	4 Å²	4	54.6 Å²	54.6	2%	0.021	27%	0.27	C	S	.	.			trans	-119.2	11.5	-178.7	-73.9	165.7	0	0	0	112.1	L120 L125 V128 L142 N147 I149 D168 L169 N172	L120-L144 HydrophobicContact CB-CD2 3.69Å; L120-L144 HydrophobicContact CD1-CD2 4.02Å; L125-L144 HydrophobicContact CD1-CD2 3.71Å; V128-L144 HydrophobicContact CG2-CD1 4.22Å; L142-L144 HydrophobicContact CD1-CD1 4.06Å; L142-L144 HydrophobicContact CD1-CG 4.02Å; L142-L144 HydrophobicContact CD2-CD1 3.88Å; L142-L144 HydrophobicContact CG-CD1 3.86Å; L142-L144 HydrophobicContact CG-CG 4.12Å; L144-N147 PolarHBondContact O-ND2 3.4Å; L144-I149 HydrophobicContact CB-CD1 4.01Å; L144-I149 HydrophobicContact CD1-CD1 4.44Å; L144-I149 HydrophobicContact CD2-CD1 4.34Å; L144-D168 CarbonylContact C-O 3.27Å; L144-D168 WeakPolarHBondContact CA-O 3.25Å; L144-D168 WeakPolarHBondContact CB-O 3.39Å; L144-D168 PolarHBondContact N-O 3.11Å; L144-L169 HydrophobicContact CB-CD2 3.81Å; L144-L169 HydrophobicContact CD1-CD2 3.82Å; L144-L169 HydrophobicContact CG-CD2 4.49Å; L144-N172 PolarHBondContact O-ND2 3.28Å; L144-N172 VanDerWaalsContact O-ND2 3.09Å
145	G	98.4	Very high	96.9	Very high	4 Å²	4	48.9 Å²	48.9	4%	0.041	26%	0.257	C	S	.	.			trans	-57.6	153.6	-178.8	0	0	0	0	0	113.6	D121 S122 N147 D168 S170	D121-G145 CarbonylContact C-O 3.11Å; D121-G145 WeakPolarHBondContact CA-O 3.12Å; D121-G145 WeakPolarHBondContact CB-O 3.33Å; S122-G145 PolarHBondContact N-O 2.99Å; G145-N147 PolarHBondContact O-ND2 3.17Å; G145-D168 PolarHBondContact N-O 2.79Å; G145-S170 CarbonylContact C-O 3.05Å; G145-S170 WeakPolarHBondContact CA-O 3.02Å
146	N	98.6	Very high	97.1	Very high	85 Å²	85	47.3 Å²	47.3	46%	0.455	24%	0.24	S	C	.	.	S	Bend	trans	55.7	54	178.8	-169.9	36.3	0	0	0	112.5	S122 N123 S170 Y171	S122-N146 WeakPolarHBondContact CA-O 3.34Å; S122-N146 PolarHBondContact N-O 3.39Å; S122-N146 PolarHBondContact OG-ND2 3.47Å; N123-N146 PolarHBondContact N-O 3.49Å; N146-S170 PolarHBondContact N-O 3.22Å; N146-Y171 VanDerWaalsContact CA-O 3.23Å; N146-Y171 WeakPolarHBondContact CA-O 3.04Å; N146-Y171 PolarHBondContact N-O 3.34Å
147	N	98.7	Very high	97	Very high	9 Å²	9	47.4 Å²	47.4	5%	0.048	24%	0.241	C	C	.	.	S	Bend	trans	-119.9	-160.1	171.1	-86.4	-82.6	0	0	0	109.1	L120 N123 R124 L125 L144 G145 I149 Y171 N172	L120-N147 PolarHBondContact O-ND2 3.18Å; N123-N147 VanDerWaalsContact CA-OD1 3.27Å; N123-N147 WeakPolarHBondContact CA-OD1 3.17Å; N123-N147 WeakPolarHBondContact CB-OD1 3.4Å; N123-N147 PolarHBondContact N-OD1 3.03Å; N123-N147 PolarHBondContact O-OD1 3.37Å; R124-N147 PolarHBondContact N-OD1 3.33Å; L125-N147 HydrophobicContact CB-CB 4.29Å; L125-N147 WeakPolarHBondContact CB-OD1 3.46Å; L125-N147 PolarHBondContact N-OD1 3.49Å; L144-N147 PolarHBondContact O-ND2 3.4Å; G145-N147 PolarHBondContact O-ND2 3.17Å; N147-I149 HydrophobicContact CB-CD1 4.03Å; N147-I149 HydrophobicContact CB-CG1 3.89Å; N147-Y171 PolarHBondContact N-O 3.21Å; N147-N172 VanDerWaalsContact CA-OD1 3.28Å; N147-N172 WeakPolarHBondContact CA-OD1 3.32Å; N147-N172 WeakPolarHBondContact CB-OD1 3.45Å; N147-N172 PolarHBondContact N-OD1 3.37Å; N147-N172 PolarHBondContact O-OD1 2.97Å
148	Q	98.2	Very high	96.9	Very high	96 Å²	96	50.4 Å²	50.4	45%	0.449	25%	0.248	S	C	.	.			trans	-123.4	29.8	177.8	-68.9	148.3	40.3	0	0	110.3	L125 A126 R150 N172	L125-Q148 CarbonylContact O-C 3.56Å; L125-Q148 VanDerWaalsContact O-CA 3.31Å; L125-Q148 WeakPolarHBondContact O-CA 3.22Å; L125-Q148 PolarHBondContact O-N 3.06Å; A126-Q148 WeakPolarHBondContact CA-O 3.49Å; Q148-R150 PolarHBondContact O-N 2.79Å; Q148-N172 PolarHBondContact N-OD1 3.17Å
149	I	98.4	Very high	96.7	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	24%	0.239	C	C	.	.			trans	-69.9	121.5	-170	-58	165.1	0	0	0	108.4	L125 A126 V128 L144 N147 V152 L169 N172 N173 L174	L125-I149 HydrophobicContact CB-CD1 4.48Å; L125-I149 HydrophobicContact CB-CG1 4.04Å; L125-I149 WeakPolarHBondContact O-CG1 3.37Å; L125-I149 PolarHBondContact O-N 2.84Å; L125-I149 VanDerWaalsContact O-N 3.09Å; A126-I149 WeakPolarHBondContact O-CA 3.5Å; V128-I149 HydrophobicContact CG2-CD1 3.81Å; V128-I149 HydrophobicContact CG2-CG1 4.28Å; V128-I149 HydrophobicContact CG2-CG2 4.1Å; L144-I149 HydrophobicContact CB-CD1 4.01Å; L144-I149 HydrophobicContact CD1-CD1 4.44Å; L144-I149 HydrophobicContact CD2-CD1 4.34Å; N147-I149 HydrophobicContact CB-CD1 4.03Å; N147-I149 HydrophobicContact CB-CG1 3.89Å; I149-V152 HydrophobicContact CG2-CG2 3.95Å; I149-L169 HydrophobicContact CD1-CD2 4.17Å; I149-N172 HydrophobicContact CB-CB 4.29Å; I149-N172 VanDerWaalsContact CB-OD1 3.32Å; I149-N172 WeakPolarHBondContact CB-OD1 3.38Å; I149-N172 VanDerWaalsContact CG1-OD1 3.31Å; I149-N172 WeakPolarHBondContact CG1-OD1 3.36Å; I149-N172 PolarHBondContact N-OD1 2.03Å; I149-N173 CarbonylContact O-C 3.54Å; I149-N173 WeakPolarHBondContact O-CA 3.45Å; I149-N173 PolarHBondContact O-N 2.79Å; I149-L174 HydrophobicContact CB-CD2 4.39Å; I149-L174 HydrophobicContact CG2-CD2 3.73Å; I149-L174 PolarHBondContact O-N 3.07Å
150	R	97.6	Very high	96.6	Very high	177 Å²	177	47.8 Å²	47.8	67%	0.668	24%	0.239	S	C	*	.			trans	-101.7	-27.5	175.7	-65.3	179.2	-175.7	179.2	-1	112.9	A126 Q148 N173	A126-R150 PolarHBondContact O-N 2.93Å; Q148-R150 PolarHBondContact O-N 2.79Å; R150-N173 WeakPolarHBondContact CA-O 3.11Å; R150-N173 HydrophobicContact CG-CB 3.78Å
151	K	96.5	Very high	96.3	Very high	131 Å²	131	44.6 Å²	44.6	57%	0.57	23%	0.229	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-143.2	137.7	-174.3	-173.2	176	179.3	-179.8	0	111.3	E127 V128	E127-K151 WeakPolarHBondContact CA-O 3.45Å; V128-K151 PolarHBondContact N-O 3.36Å
152	V	97.1	Very high	96.1	Very high	11 Å²	11	45.8 Å²	45.8	7%	0.067	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	125.1	168.5	-177.4	0	0	0	0	108.2	V128 I149 A156 F157 L174 L177	V128-V152 HydrophobicContact CB-CG1 4.2Å; V128-V152 HydrophobicContact CB-CG2 4.21Å; V128-V152 HydrophobicContact CG2-CG2 4.37Å; I149-V152 HydrophobicContact CG2-CG2 3.95Å; V152-A156 HydrophobicContact CG1-CB 3.97Å; V152-F157 HydrophobicContact CB-CZ 4.43Å; V152-F157 HydrophobicContact CG1-CE1 3.82Å; V152-F157 HydrophobicContact CG1-CE2 3.97Å; V152-F157 HydrophobicContact CG1-CZ 3.5Å; V152-F157 VanDerWaalsContact CG1-CZ 3.5Å; V152-L174 HydrophobicContact CG2-CD2 3.9Å; V152-L177 HydrophobicContact CB-CD2 4.11Å; V152-L177 HydrophobicContact CG2-CD2 3.92Å
153	E	95.8	Very high	96	Very high	56 Å²	56	47.1 Å²	47.1	26%	0.262	25%	0.251	S	S	.	.			trans	-71.4	142.7	172.6	-67.3	-178.3	167.9	0	0	110.1	V128 R129 G130 A155 A156	V128-E153 PolarHBondContact O-N 3.01Å; R129-E153 WeakPolarHBondContact CA-OE2 3.45Å; R129-E153 IonicContact CZ-OE1 3.78Å; R129-E153 IonicContact NE-OE1 3.08Å; R129-E153 IonicContact NH2-OE1 3.95Å; R129-E153 PolarHBondContact NH2-OE1 2.95Å; R129-E153 VanDerWaalsContact NH2-OE1 3.08Å; G130-E153 PolarHBondContact N-OE2 3.03Å; E153-A155 PolarHBondContact O-N 2.93Å; E153-A156 WeakPolarHBondContact O-CB 3.18Å; E153-A156 PolarHBondContact O-N 3.3Å
154	S	92.1	Very high	95.9	Very high	74 Å²	74	45.6 Å²	45.6	52%	0.517	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-54.5	-43.1	176.6	53.7	0	0	0	0	112.2	A156 F157	S154-A156 PolarHBondContact O-N 2.73Å; S154-F157 PolarHBondContact O-N 3.25Å; S154-F157 VanDerWaalsContact O-N 3.16Å
155	A	94.1	Very high	95.9	Very high	38 Å²	38	47.6 Å²	47.6	31%	0.314	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-63.7	-11.1	179.1	0	0	0	0	0	114.4	G130 E153 F157 D158	G130-A155 VanDerWaalsContact CA-C 3.43Å; G130-A155 WeakPolarHBondContact CA-O 3.34Å; E153-A155 PolarHBondContact O-N 2.93Å; A155-F157 PolarHBondContact O-N 3.48Å; A155-D158 WeakPolarHBondContact CA-OD2 3.45Å
156	A	94.5	Very high	95.9	Very high	1 Å²	1	49.6 Å²	49.6	1%	0.008	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-67.1	-28.3	175	0	0	0	0	0	112.5	V128 V152 E153 S154 F160	V128-A156 HydrophobicContact CG1-CB 3.88Å; V152-A156 HydrophobicContact CG1-CB 3.97Å; E153-A156 WeakPolarHBondContact O-CB 3.18Å; E153-A156 PolarHBondContact O-N 3.3Å; S154-A156 PolarHBondContact O-N 2.73Å; A156-F160 WeakPolarHBondContact O-CE1 3.17Å; A156-F160 WeakPolarHBondContact O-CZ 2.92Å
157	F	94.6	Very high	95.8	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.009	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.2	-23.9	-177.1	-60.9	-33.3	0	0	0	113.1	V152 S154 A155 A159 F160 L161 L167 L169 P178 A181 V182 M185	V152-F157 HydrophobicContact CB-CZ 4.43Å; V152-F157 HydrophobicContact CG1-CE1 3.82Å; V152-F157 HydrophobicContact CG1-CE2 3.97Å; V152-F157 HydrophobicContact CG1-CZ 3.5Å; V152-F157 VanDerWaalsContact CG1-CZ 3.5Å; S154-F157 PolarHBondContact O-N 3.25Å; S154-F157 VanDerWaalsContact O-N 3.16Å; A155-F157 PolarHBondContact O-N 3.48Å; F157-A159 PolarHBondContact O-N 3.05Å; F157-F160 HydrophobicContact CB-CE2 4.35Å; F157-F160 AromaticContact CD1-CE2 3.66Å; F157-F160 HydrophobicContact CD1-CE2 3.66Å; F157-F160 AromaticContact CD1-CZ 3.67Å; F157-F160 HydrophobicContact CD1-CZ 3.67Å; F157-F160 HydrophobicContact CE1-CE2 4.46Å; F157-F160 HydrophobicContact CE1-CZ 4.43Å; F157-F160 HydrophobicContact CG-CE2 4.42Å; F157-F160 CarbonylContact O-C 3.49Å; F157-F160 PolarHBondContact O-N 3.17Å; F157-L161 HydrophobicContact CB-CD2 3.77Å; F157-L161 HydrophobicContact CB-CG 4.47Å; F157-L161 WeakPolarHBondContact O-CG 3.44Å; F157-L161 PolarHBondContact O-N 2.72Å; F157-L167 HydrophobicContact CE1-CD2 4.17Å; F157-L167 HydrophobicContact CZ-CD2 4.14Å; F157-L169 HydrophobicContact CZ-CD1 4.48Å; F157-P178 HydrophobicContact CD2-CG 3.73Å; F157-P178 HydrophobicContact CE2-CG 3.49Å; F157-P178 VanDerWaalsContact CE2-CG 3.49Å; F157-A181 HydrophobicContact CB-CB 4.39Å; F157-A181 HydrophobicContact CD2-CB 3.98Å; F157-V182 HydrophobicContact CE2-CG2 4.05Å; F157-M185 HydrophobicContact CB-CE 3.61Å; F157-M185 HydrophobicContact CD1-CE 3.89Å; F157-M185 HydrophobicContact CD2-CE 3.55Å; F157-M185 HydrophobicContact CE1-CE 4.4Å; F157-M185 HydrophobicContact CE2-CE 4.09Å; F157-M185 HydrophobicContact CG-CE 3.42Å; F157-M185 VanDerWaalsContact CG-CE 3.42Å; F157-M185 HydrophobicContact CZ-CE 4.48Å
158	D	93.4	Very high	95.8	Very high	100 Å²	100	46.7 Å²	46.7	54%	0.535	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-45.7	-36.8	-176.2	-68	0	0	0	0	114.3	A155 F160	A155-D158 WeakPolarHBondContact CA-OD2 3.45Å; D158-F160 VanDerWaalsContact C-N 3.28Å; D158-F160 PolarHBondContact O-N 2.76Å
159	A	93.5	Very high	95.8	Very high	34 Å²	34	42.1 Å²	42.1	28%	0.281	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24.6	-177.3	0	0	0	0	0	113.7	G137 F157	G137-A159 VanDerWaalsContact CA-O 3.31Å; G137-A159 WeakPolarHBondContact CA-O 3.41Å; F157-A159 PolarHBondContact O-N 3.05Å
160	F	94.8	Very high	95.8	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-137.5	16.4	-172	50.5	-98.4	0	0	0	113.9	L133 L136 L139 L142 A156 F157 D158 S162 T163 V164	L133-F160 HydrophobicContact CB-CE1 4.03Å; L133-F160 HydrophobicContact CD1-CE1 3.84Å; L133-F160 HydrophobicContact CD1-CZ 3.95Å; L136-F160 HydrophobicContact CB-CD1 4.22Å; L139-F160 HydrophobicContact CB-CB 3.99Å; L139-F160 HydrophobicContact CB-CG 4.41Å; L139-F160 HydrophobicContact CD2-CD1 3.98Å; L139-F160 HydrophobicContact CD2-CE1 4.25Å; L139-F160 HydrophobicContact CD2-CG 4.16Å; L142-F160 HydrophobicContact CD2-CE1 4.33Å; L142-F160 HydrophobicContact CD2-CE2 4.03Å; L142-F160 HydrophobicContact CD2-CZ 3.58Å; A156-F160 WeakPolarHBondContact O-CE1 3.17Å; A156-F160 WeakPolarHBondContact O-CZ 2.92Å; F157-F160 HydrophobicContact CB-CE2 4.35Å; F157-F160 AromaticContact CD1-CE2 3.66Å; F157-F160 HydrophobicContact CD1-CE2 3.66Å; F157-F160 AromaticContact CD1-CZ 3.67Å; F157-F160 HydrophobicContact CD1-CZ 3.67Å; F157-F160 HydrophobicContact CE1-CE2 4.46Å; F157-F160 HydrophobicContact CE1-CZ 4.43Å; F157-F160 HydrophobicContact CG-CE2 4.42Å; F157-F160 CarbonylContact O-C 3.49Å; F157-F160 PolarHBondContact O-N 3.17Å; D158-F160 VanDerWaalsContact C-N 3.28Å; D158-F160 PolarHBondContact O-N 2.76Å; F160-S162 PolarHBondContact O-N 2.88Å; F160-S162 VanDerWaalsContact O-N 3.17Å; F160-T163 PolarHBondContact O-N 3.17Å; F160-T163 PolarHBondContact O-OG1 3.47Å; F160-V164 HydrophobicContact CD2-CB 3.93Å; F160-V164 HydrophobicContact CD2-CG1 4.19Å; F160-V164 HydrophobicContact CD2-CG2 4.36Å; F160-V164 PolarHBondContact O-N 3.24Å
161	L	93.3	Very high	95.9	Very high	27 Å²	27	39.8 Å²	39.8	14%	0.141	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-49.2	-42.9	177.1	-74	174.5	0	0	0	112.4	F157 A181 M185	F157-L161 HydrophobicContact CB-CD2 3.77Å; F157-L161 HydrophobicContact CB-CG 4.47Å; F157-L161 WeakPolarHBondContact O-CG 3.44Å; F157-L161 PolarHBondContact O-N 2.72Å; L161-A181 HydrophobicContact CD2-CB 4.21Å; L161-A181 VanDerWaalsContact CD2-O 3.22Å; L161-A181 WeakPolarHBondContact CD2-O 3.3Å; L161-M185 HydrophobicContact CD2-CE 4.12Å; L161-M185 HydrophobicContact CD2-CG 4.06Å; L161-M185 WeakPolarHBondContact O-CA 3.26Å
162	S	92.9	Very high	96	Very high	80 Å²	80	33.9 Å²	33.9	56%	0.559	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-0.2	-176.1	59.6	0	0	0	0	114.6	F160 N187	F160-S162 PolarHBondContact O-N 2.88Å; F160-S162 VanDerWaalsContact O-N 3.17Å; S162-N187 PolarHBondContact O-ND2 2.9Å
163	T	96.3	Very high	96	Very high	28 Å²	28	36.3 Å²	36.3	17%	0.172	21%	0.207	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-20.4	-173.3	62.3	0	0	0	0	114.7	G137 L139 F160 E165	G137-T163 WeakPolarHBondContact O-CG2 3.27Å; L139-T163 CarbonylContact O-C 3.13Å; L139-T163 WeakPolarHBondContact O-CB 3.36Å; L139-T163 VanDerWaalsContact O-O 3.11Å; L139-T163 PolarHBondContact O-OG1 2.81Å; F160-T163 PolarHBondContact O-N 3.17Å; F160-T163 PolarHBondContact O-OG1 3.47Å; T163-E165 PolarHBondContact O-N 3.28Å
164	V	97.3	Very high	96.1	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	20%	0.195	C	C	.	.			trans	-67.6	132.1	-177.9	68.5	0	0	0	0	110.8	L139 F160 L167 M185 N187 L188	L139-V164 WeakPolarHBondContact O-CA 3.23Å; L139-V164 PolarHBondContact O-N 2.78Å; F160-V164 HydrophobicContact CD2-CB 3.93Å; F160-V164 HydrophobicContact CD2-CG1 4.19Å; F160-V164 HydrophobicContact CD2-CG2 4.36Å; F160-V164 PolarHBondContact O-N 3.24Å; V164-L167 HydrophobicContact CG2-CB 4.44Å; V164-M185 HydrophobicContact CG1-CB 4.11Å; V164-M185 HydrophobicContact CG1-CE 4.48Å; V164-M185 HydrophobicContact CG1-CG 3.94Å; V164-M185 HydrophobicContact CG1-SD 3.72Å; V164-N187 CarbonylContact O-C 3.18Å; V164-N187 VanDerWaalsContact O-C 3.24Å; V164-L188 HydrophobicContact CG1-CD1 4.19Å; V164-L188 HydrophobicContact CG2-CD1 4.37Å; V164-L188 PolarHBondContact O-N 3.43Å
165	E	97.8	Very high	96.3	Very high	47 Å²	47	36.3 Å²	36.3	22%	0.22	20%	0.199	C	C	.	.			trans	-111.2	-40.3	-179.9	-66.4	172.2	-161	0	0	109.9	R140 T163 N187 N189 T190	R140-E165 HydrophobicContact CB-CB 4.44Å; R140-E165 HydrophobicContact CB-CG 4.32Å; R140-E165 VanDerWaalsContact CD-OE1 3.27Å; R140-E165 WeakPolarHBondContact CD-OE1 3.43Å; R140-E165 HydrophobicContact CG-CG 4.43Å; R140-E165 IonicContact CZ-OE1 3.95Å; R140-E165 VanDerWaalsContact CZ-OE1 3.32Å; R140-E165 IonicContact NE-OE1 3.82Å; R140-E165 PolarHBondContact NE-OE1 2.77Å; R140-E165 IonicContact NH1-OE1 3.55Å; R140-E165 PolarHBondContact NH1-OE1 3.46Å; R140-E165 PolarHBondContact O-N 3Å; T163-E165 PolarHBondContact O-N 3.28Å; E165-N187 WeakPolarHBondContact CA-O 3.34Å; E165-N189 PolarHBondContact O-N 3.38Å; E165-T190 PolarHBondContact O-N 3.49Å; E165-T190 VanDerWaalsContact O-N 3.09Å
166	D	98.2	Very high	96.3	Very high	46 Å²	46	36.9 Å²	36.9	25%	0.246	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	124.7	178.2	-58	-47.5	0	0	0	111.4	R140 H141 L142 T190	R140-D166 PolarHBondContact O-N 2.82Å; H141-D166 WeakPolarHBondContact CA-O 3.35Å; H141-D166 IonicContact CE1-OD2 3.19Å; H141-D166 PolarHBondContact CE1-OD2 3.49Å; H141-D166 IonicContact ND1-OD2 3.9Å; H141-D166 PolarHBondContact ND1-OD2 3.17Å; L142-D166 PolarHBondContact N-O 3.31Å; D166-T190 WeakPolarHBondContact CA-O 3.02Å; D166-T190 WeakPolarHBondContact OD1-CB 3.07Å; D166-T190 PolarHBondContact OD1-OG1 3.32Å
167	L	98	Very high	96.4	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	111.9	175.3	178.2	57.9	0	0	0	110	L142 F157 V164 L169 M185 L188 T190 L191 T192	L142-L167 HydrophobicContact CB-CD1 4.01Å; L142-L167 HydrophobicContact CD2-CD1 3.92Å; L142-L167 HydrophobicContact CG-CD1 4.01Å; F157-L167 HydrophobicContact CE1-CD2 4.17Å; F157-L167 HydrophobicContact CZ-CD2 4.14Å; V164-L167 HydrophobicContact CG2-CB 4.44Å; L167-L169 HydrophobicContact CD1-CD1 4.11Å; L167-L169 HydrophobicContact CD1-CG 4.09Å; L167-L169 HydrophobicContact CD2-CD1 3.98Å; L167-L169 HydrophobicContact CG-CD1 3.99Å; L167-L169 HydrophobicContact CG-CG 4.27Å; L167-M185 HydrophobicContact CD2-CE 4.34Å; L167-M185 HydrophobicContact CD2-SD 4.36Å; L167-L188 HydrophobicContact CB-CD1 3.99Å; L167-T190 PolarHBondContact N-O 3Å; L167-L191 HydrophobicContact CB-CD1 4.04Å; L167-L191 HydrophobicContact CD2-CD1 3.86Å; L167-L191 HydrophobicContact CG-CD1 3.95Å; L167-L191 WeakPolarHBondContact O-CA 3.43Å; L167-T192 PolarHBondContact O-N 3.32Å
168	D	98.5	Very high	96.3	Very high	31 Å²	31	38.5 Å²	38.5	17%	0.166	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	114.4	175.7	176.3	16.1	0	0	0	110.5	L142 I143 L144 G145 S170	L142-D168 PolarHBondContact O-N 3.31Å; I143-D168 HydrophobicContact CD1-CB 3.92Å; I143-D168 HydrophobicContact CG2-CB 4.1Å; I143-D168 WeakPolarHBondContact CG2-OD2 3.43Å; L144-D168 CarbonylContact C-O 3.27Å; L144-D168 WeakPolarHBondContact CA-O 3.25Å; L144-D168 WeakPolarHBondContact CB-O 3.39Å; L144-D168 PolarHBondContact N-O 3.11Å; G145-D168 PolarHBondContact N-O 2.79Å; D168-S170 WeakPolarHBondContact OD1-CB 3.31Å; D168-S170 PolarHBondContact OD1-N 2.89Å; D168-S170 PolarHBondContact OD1-OG 3.1Å
169	L	98.3	Very high	96.3	Very high	1 Å²	1	34.7 Å²	34.7	1%	0.005	19%	0.192	C	C	.	.			trans	-122.4	18.7	175.3	-74.8	163.3	0	0	0	111	L144 I149 F157 L167 N172 L174 L177 T192 L193 N196	L144-L169 HydrophobicContact CB-CD2 3.81Å; L144-L169 HydrophobicContact CD1-CD2 3.82Å; L144-L169 HydrophobicContact CG-CD2 4.49Å; I149-L169 HydrophobicContact CD1-CD2 4.17Å; F157-L169 HydrophobicContact CZ-CD1 4.48Å; L167-L169 HydrophobicContact CD1-CD1 4.11Å; L167-L169 HydrophobicContact CD1-CG 4.09Å; L167-L169 HydrophobicContact CD2-CD1 3.98Å; L167-L169 HydrophobicContact CG-CD1 3.99Å; L167-L169 HydrophobicContact CG-CG 4.27Å; L169-N172 PolarHBondContact O-ND2 2.8Å; L169-L174 HydrophobicContact CB-CD1 3.92Å; L169-L174 HydrophobicContact CD1-CD1 4.28Å; L169-L174 HydrophobicContact CD2-CD1 4.37Å; L169-L174 HydrophobicContact CG-CD1 4.43Å; L169-L177 HydrophobicContact CD1-CD1 4.14Å; L169-L177 HydrophobicContact CD1-CD2 4.04Å; L169-T192 CarbonylContact C-O 3.6Å; L169-T192 PolarHBondContact N-O 2.99Å; L169-L193 HydrophobicContact CB-CD2 3.83Å; L169-L193 HydrophobicContact CD1-CD2 4.22Å; L169-N196 PolarHBondContact O-ND2 3.11Å
170	S	98.5	Very high	96.2	Very high	11 Å²	11	40.2 Å²	40.2	8%	0.077	21%	0.212	C	C	.	.			trans	-59.7	157.3	179.6	63.6	0	0	0	0	112.8	G145 N146 D168 N172 T192 D194	G145-S170 CarbonylContact C-O 3.05Å; G145-S170 WeakPolarHBondContact CA-O 3.02Å; N146-S170 PolarHBondContact N-O 3.22Å; D168-S170 WeakPolarHBondContact OD1-CB 3.31Å; D168-S170 PolarHBondContact OD1-N 2.89Å; D168-S170 PolarHBondContact OD1-OG 3.1Å; S170-N172 PolarHBondContact O-N 2.95Å; S170-N172 PolarHBondContact O-ND2 3.14Å; S170-N172 VanDerWaalsContact O-ND2 3.08Å; S170-T192 PolarHBondContact N-O 2.95Å; S170-D194 CarbonylContact C-O 3.08Å; S170-D194 WeakPolarHBondContact CA-O 3.41Å; S170-D194 WeakPolarHBondContact CB-OD1 3.32Å
171	Y	98.5	Very high	96.1	Very high	116 Å²	116	40.6 Å²	40.6	46%	0.455	22%	0.215	S	C	.	.	S	Bend	trans	51.5	54.5	177.9	-60.4	-93.8	0	0	0	112.5	N146 N147 D194 H195	N146-Y171 VanDerWaalsContact CA-O 3.23Å; N146-Y171 WeakPolarHBondContact CA-O 3.04Å; N146-Y171 PolarHBondContact N-O 3.34Å; N147-Y171 PolarHBondContact N-O 3.21Å; Y171-D194 WeakPolarHBondContact CE2-OD2 3.41Å; Y171-D194 PolarHBondContact N-O 3.4Å; Y171-H195 VanDerWaalsContact CA-O 3.28Å; Y171-H195 WeakPolarHBondContact CA-O 3.48Å; Y171-H195 HydrophobicContact CD1-CB 3.63Å; Y171-H195 AromaticContact CD1-CG 3.76Å; Y171-H195 HydrophobicContact CD2-CB 4.37Å; Y171-H195 HydrophobicContact CE1-CB 3.88Å; Y171-H195 AromaticContact CE1-CD2 3.79Å; Y171-H195 AromaticContact CE1-CE1 3.83Å; Y171-H195 AromaticContact CE1-CG 3.45Å; Y171-H195 VanDerWaalsContact CE1-CG 3.45Å; Y171-H195 AromaticContact CE1-ND1 3.49Å; Y171-H195 WeakPolarHBondContact CE1-ND1 3.05Å; Y171-H195 AromaticContact CE2-ND1 3.75Å; Y171-H195 HydrophobicContact CG-CB 3.9Å; Y171-H195 AromaticContact CZ-CE1 3.59Å; Y171-H195 AromaticContact CZ-CG 3.75Å; Y171-H195 AromaticContact CZ-ND1 3.26Å; Y171-H195 VanDerWaalsContact CZ-ND1 3.26Å; Y171-H195 PolarHBondContact N-O 3.16Å; Y171-H195 PolarHBondContact OH-CE1 3.2Å; Y171-H195 PolarHBondContact OH-ND1 2.04Å
172	N	98.7	Very high	96.1	Very high	8 Å²	8	39.3 Å²	39.3	4%	0.043	21%	0.208	C	C	.	.	S	Bend	trans	-128.3	-168.8	174.8	-84.9	-73.5	0	0	0	109.4	L144 N147 Q148 I149 L169 S170 L174 H195 N196	L144-N172 PolarHBondContact O-ND2 3.28Å; L144-N172 VanDerWaalsContact O-ND2 3.09Å; N147-N172 VanDerWaalsContact CA-OD1 3.28Å; N147-N172 WeakPolarHBondContact CA-OD1 3.32Å; N147-N172 WeakPolarHBondContact CB-OD1 3.45Å; N147-N172 PolarHBondContact N-OD1 3.37Å; N147-N172 PolarHBondContact O-OD1 2.97Å; Q148-N172 PolarHBondContact N-OD1 3.17Å; I149-N172 HydrophobicContact CB-CB 4.29Å; I149-N172 VanDerWaalsContact CB-OD1 3.32Å; I149-N172 WeakPolarHBondContact CB-OD1 3.38Å; I149-N172 VanDerWaalsContact CG1-OD1 3.31Å; I149-N172 WeakPolarHBondContact CG1-OD1 3.36Å; I149-N172 PolarHBondContact N-OD1 2.03Å; L169-N172 PolarHBondContact O-ND2 2.8Å; S170-N172 PolarHBondContact O-N 2.95Å; S170-N172 PolarHBondContact O-ND2 3.14Å; S170-N172 VanDerWaalsContact O-ND2 3.08Å; N172-L174 HydrophobicContact CB-CD1 4.47Å; N172-L174 HydrophobicContact CB-CG 4.26Å; N172-H195 PolarHBondContact N-O 3.38Å; N172-H195 VanDerWaalsContact N-O 3.16Å; N172-H195 VanDerWaalsContact O-O 3.05Å; N172-N196 WeakPolarHBondContact CA-OD1 3.28Å; N172-N196 WeakPolarHBondContact CB-OD1 3.37Å; N172-N196 PolarHBondContact O-OD1 2.88Å
173	N	98.1	Very high	96	Very high	62 Å²	62	35.8 Å²	35.8	33%	0.332	19%	0.185	S	C	.	.			trans	-118.7	32.9	-178.3	-65.1	82.9	0	0	0	110.9	I149 R150 E175 N196 L197	I149-N173 CarbonylContact O-C 3.54Å; I149-N173 WeakPolarHBondContact O-CA 3.45Å; I149-N173 PolarHBondContact O-N 2.79Å; R150-N173 WeakPolarHBondContact CA-O 3.11Å; R150-N173 HydrophobicContact CG-CB 3.78Å; N173-E175 PolarHBondContact O-N 2.84Å; N173-N196 PolarHBondContact N-OD1 3.48Å; N173-L197 HydrophobicContact CB-CD1 4.45Å
174	L	97.8	Very high	95.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.199	C	C	.	.			trans	-72.6	125.4	-175.6	-65.1	167.3	0	0	0	110.6	I149 V152 L169 N172 L177 N196 L197 I198	I149-L174 HydrophobicContact CB-CD2 4.39Å; I149-L174 HydrophobicContact CG2-CD2 3.73Å; I149-L174 PolarHBondContact O-N 3.07Å; V152-L174 HydrophobicContact CG2-CD2 3.9Å; L169-L174 HydrophobicContact CB-CD1 3.92Å; L169-L174 HydrophobicContact CD1-CD1 4.28Å; L169-L174 HydrophobicContact CD2-CD1 4.37Å; L169-L174 HydrophobicContact CG-CD1 4.43Å; N172-L174 HydrophobicContact CB-CD1 4.47Å; N172-L174 HydrophobicContact CB-CG 4.26Å; L174-L177 HydrophobicContact CD1-CD2 3.98Å; L174-L177 HydrophobicContact CD1-CG 4.44Å; L174-L177 HydrophobicContact CD2-CD2 4.26Å; L174-N196 HydrophobicContact CB-CB 4.24Å; L174-N196 VanDerWaalsContact CB-OD1 3.27Å; L174-N196 WeakPolarHBondContact CB-OD1 3.44Å; L174-N196 WeakPolarHBondContact CG-OD1 3.45Å; L174-N196 PolarHBondContact N-OD1 2.74Å; L174-L197 CarbonylContact O-C 3.11Å; L174-L197 WeakPolarHBondContact O-CA 3.27Å; L174-L197 WeakPolarHBondContact O-CB 3.35Å; L174-L197 PolarHBondContact O-N 2.98Å; L174-I198 HydrophobicContact CB-CD1 4.48Å; L174-I198 HydrophobicContact CB-CG1 4.26Å; L174-I198 WeakPolarHBondContact O-CG1 3.45Å; L174-I198 PolarHBondContact O-N 2.72Å; L174-I198 VanDerWaalsContact O-N 3.08Å
175	E	95.8	Very high	95.7	Very high	129 Å²	129	39.4 Å²	39.4	60%	0.603	20%	0.199	S	C	*	.	S	Bend	trans	-87.7	-32.8	170.3	-66.6	174	-164.6	0	0	111.3	N173 L197 I198	N173-E175 PolarHBondContact O-N 2.84Å; E175-L197 HydrophobicContact CG-CB 4.27Å; E175-I198 WeakPolarHBondContact O-CA 3.12Å
176	A	94.3	Very high	95.3	Very high	51 Å²	51	41.3 Å²	41.3	42%	0.421	21%	0.214	S	C	.	.			trans	-154	163.3	176.5	0	0	0	0	0	110.9
177	L	95.2	Very high	95.2	Very high	11 Å²	11	43 Å²	43	6%	0.058	22%	0.223	C	C	.	.			trans	-117.2	160.5	168.4	-76.2	177.9	0	0	0	110.7	V152 L169 L174 W179 V182 L193	V152-L177 HydrophobicContact CB-CD2 4.11Å; V152-L177 HydrophobicContact CG2-CD2 3.92Å; L169-L177 HydrophobicContact CD1-CD1 4.14Å; L169-L177 HydrophobicContact CD1-CD2 4.04Å; L174-L177 HydrophobicContact CD1-CD2 3.98Å; L174-L177 HydrophobicContact CD1-CG 4.44Å; L174-L177 HydrophobicContact CD2-CD2 4.26Å; L177-W179 HydrophobicContact CB-CD2 4.17Å; L177-W179 HydrophobicContact CB-CE3 4.01Å; L177-W179 HydrophobicContact CB-CH2 4.04Å; L177-W179 HydrophobicContact CB-CZ2 4.18Å; L177-W179 HydrophobicContact CB-CZ3 3.95Å; L177-W179 HydrophobicContact CD1-CH2 4.2Å; L177-W179 HydrophobicContact CD1-CZ3 4.06Å; L177-W179 HydrophobicContact CG-CH2 4.42Å; L177-W179 PolarHBondContact O-N 2.87Å; L177-V182 HydrophobicContact CB-CG2 4.45Å; L177-L193 HydrophobicContact CD1-CD1 3.96Å; L177-L193 HydrophobicContact CD1-CD2 3.47Å; L177-L193 VanDerWaalsContact CD1-CD2 3.47Å; L177-L193 HydrophobicContact CD1-CG 4.38Å
178	P	94.2	Very high	95.1	Very high	26 Å²	26	43.8 Å²	43.8	17%	0.169	23%	0.227	C	C	.	.			trans	-70.4	80.5	168.3	31.3	-34.6	0	0	0	109.2	F157 E180 A181 V182	F157-P178 HydrophobicContact CD2-CG 3.73Å; F157-P178 HydrophobicContact CE2-CG 3.49Å; F157-P178 VanDerWaalsContact CE2-CG 3.49Å; P178-E180 PolarHBondContact O-N 2.87Å; P178-A181 HydrophobicContact CB-CB 4.28Å; P178-A181 HydrophobicContact CG-CB 4.4Å; P178-A181 WeakPolarHBondContact O-CB 3.4Å; P178-A181 PolarHBondContact O-N 2.77Å; P178-V182 PolarHBondContact O-N 2.84Å; P178-V182 VanDerWaalsContact O-N 3.13Å
179	W	93.3	Very high	94.9	Very high	20 Å²	20	48.3 Å²	48.3	8%	0.076	25%	0.251	C	S	.	.	H	α-helix	trans	-56	-35.9	-172.7	-62.8	124.8	0	0	0	113.7	L177 A181 V182 G183 L193 I198 H200 I201 A202 T205	L177-W179 HydrophobicContact CB-CD2 4.17Å; L177-W179 HydrophobicContact CB-CE3 4.01Å; L177-W179 HydrophobicContact CB-CH2 4.04Å; L177-W179 HydrophobicContact CB-CZ2 4.18Å; L177-W179 HydrophobicContact CB-CZ3 3.95Å; L177-W179 HydrophobicContact CD1-CH2 4.2Å; L177-W179 HydrophobicContact CD1-CZ3 4.06Å; L177-W179 HydrophobicContact CG-CH2 4.42Å; L177-W179 PolarHBondContact O-N 2.87Å; W179-A181 VanDerWaalsContact C-N 3.31Å; W179-A181 PolarHBondContact O-N 3.11Å; W179-V182 PolarHBondContact O-N 2.89Å; W179-G183 PolarHBondContact O-N 3.19Å; W179-L193 HydrophobicContact CH2-CD1 4.09Å; W179-L193 HydrophobicContact CZ3-CD1 4.19Å; W179-I198 HydrophobicContact CH2-CD1 4.1Å; W179-I198 HydrophobicContact CH2-CG2 4.12Å; W179-I198 HydrophobicContact CZ2-CD1 4.45Å; W179-I198 HydrophobicContact CZ2-CG2 3.73Å; W179-H200 PolarHBondContact NE1-O 2.78Å; W179-I201 HydrophobicContact CD2-CG2 4.05Å; W179-I201 HydrophobicContact CE3-CG2 4.1Å; W179-I201 HydrophobicContact CH2-CD1 4.34Å; W179-I201 HydrophobicContact CH2-CG1 3.86Å; W179-I201 HydrophobicContact CH2-CG2 4.35Å; W179-I201 HydrophobicContact CZ2-CB 4.27Å; W179-I201 HydrophobicContact CZ2-CG1 3.77Å; W179-I201 HydrophobicContact CZ2-CG2 4.31Å; W179-I201 HydrophobicContact CZ3-CG2 4.24Å; W179-A202 HydrophobicContact CB-CB 3.95Å; W179-A202 HydrophobicContact CG-CB 4.11Å; W179-T205 HydrophobicContact CB-CG2 4Å; W179-T205 WeakPolarHBondContact CB-OG1 3.12Å; W179-T205 HydrophobicContact CD2-CG2 4.37Å; W179-T205 HydrophobicContact CE3-CG2 3.82Å; W179-T205 HydrophobicContact CG-CG2 4.49Å
180	E	91.1	Very high	94.8	Very high	150 Å²	150	51.4 Å²	51.4	70%	0.701	27%	0.271	S	S	*	.	H	α-helix	trans	-57.5	-42.4	173.4	-65.4	-61.4	142.1	0	0	112.6	P178 Q184	P178-E180 PolarHBondContact O-N 2.87Å; E180-Q184 WeakPolarHBondContact O-CG 3.49Å; E180-Q184 PolarHBondContact O-N 3.46Å
181	A	91.9	Very high	94.7	Very high	8 Å²	8	53 Å²	53	7%	0.066	28%	0.278	C	S	.	.	H	α-helix	trans	-72.6	-37.2	178.1	0	0	0	0	0	111.3	F157 L161 P178 W179 Q184	F157-A181 HydrophobicContact CB-CB 4.39Å; F157-A181 HydrophobicContact CD2-CB 3.98Å; L161-A181 HydrophobicContact CD2-CB 4.21Å; L161-A181 VanDerWaalsContact CD2-O 3.22Å; L161-A181 WeakPolarHBondContact CD2-O 3.3Å; P178-A181 HydrophobicContact CB-CB 4.28Å; P178-A181 HydrophobicContact CG-CB 4.4Å; P178-A181 WeakPolarHBondContact O-CB 3.4Å; P178-A181 PolarHBondContact O-N 2.77Å; W179-A181 VanDerWaalsContact C-N 3.31Å; W179-A181 PolarHBondContact O-N 3.11Å; A181-Q184 PolarHBondContact O-N 3.43Å
182	V	93.2	Very high	94.7	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-63.5	-42.3	175.2	176.8	0	0	0	0	111	F157 L177 P178 W179 Q184 M185 L191 L209	F157-V182 HydrophobicContact CE2-CG2 4.05Å; L177-V182 HydrophobicContact CB-CG2 4.45Å; P178-V182 PolarHBondContact O-N 2.84Å; P178-V182 VanDerWaalsContact O-N 3.13Å; W179-V182 PolarHBondContact O-N 2.89Å; V182-Q184 PolarHBondContact O-N 3.25Å; V182-M185 WeakPolarHBondContact O-CB 3.47Å; V182-M185 WeakPolarHBondContact O-CG 3.27Å; V182-M185 PolarHBondContact O-N 3.38Å; V182-M185 VanDerWaalsContact O-N 3.08Å; V182-L191 HydrophobicContact CG1-CD2 3.73Å; V182-L209 HydrophobicContact CG1-CD1 4.5Å
183	G	91.8	Very high	94.6	Very high	6 Å²	6	51.1 Å²	51.1	6%	0.062	28%	0.277	C	S	.	.	H	α-helix	trans	-63.6	-23.1	177.6	0	0	0	0	0	114.1	W179 M185 T205 Q208	W179-G183 PolarHBondContact O-N 3.19Å; G183-M185 VanDerWaalsContact C-N 3.3Å; G183-M185 PolarHBondContact O-N 3.22Å; G183-T205 WeakPolarHBondContact CA-O 3.31Å; G183-Q208 WeakPolarHBondContact O-CB 3.37Å; G183-Q208 PolarHBondContact O-OE1 3.31Å
184	Q	92.1	Very high	94.5	Very high	103 Å²	103	51.2 Å²	51.2	48%	0.481	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.7	-4.4	175.9	-70.7	-178.4	-2	0	0	114.1	E180 A181 V182 V186	E180-Q184 WeakPolarHBondContact O-CG 3.49Å; E180-Q184 PolarHBondContact O-N 3.46Å; A181-Q184 PolarHBondContact O-N 3.43Å; V182-Q184 PolarHBondContact O-N 3.25Å; Q184-V186 VanDerWaalsContact C-N 3.28Å; Q184-V186 PolarHBondContact O-N 3.18Å
185	M	93.5	Very high	94.5	Very high	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.304	C	S	.	.			trans	-79.7	66.5	-176.1	-61.3	178	177.2	0	0	112.7	F157 L161 V164 L167 V182 G183 N187 L188 L209	F157-M185 HydrophobicContact CB-CE 3.61Å; F157-M185 HydrophobicContact CD1-CE 3.89Å; F157-M185 HydrophobicContact CD2-CE 3.55Å; F157-M185 HydrophobicContact CE1-CE 4.4Å; F157-M185 HydrophobicContact CE2-CE 4.09Å; F157-M185 HydrophobicContact CG-CE 3.42Å; F157-M185 VanDerWaalsContact CG-CE 3.42Å; F157-M185 HydrophobicContact CZ-CE 4.48Å; L161-M185 HydrophobicContact CD2-CE 4.12Å; L161-M185 HydrophobicContact CD2-CG 4.06Å; L161-M185 WeakPolarHBondContact O-CA 3.26Å; V164-M185 HydrophobicContact CG1-CB 4.11Å; V164-M185 HydrophobicContact CG1-CE 4.48Å; V164-M185 HydrophobicContact CG1-CG 3.94Å; V164-M185 HydrophobicContact CG1-SD 3.72Å; L167-M185 HydrophobicContact CD2-CE 4.34Å; L167-M185 HydrophobicContact CD2-SD 4.36Å; V182-M185 WeakPolarHBondContact O-CB 3.47Å; V182-M185 WeakPolarHBondContact O-CG 3.27Å; V182-M185 PolarHBondContact O-N 3.38Å; V182-M185 VanDerWaalsContact O-N 3.08Å; G183-M185 VanDerWaalsContact C-N 3.3Å; G183-M185 PolarHBondContact O-N 3.22Å; M185-N187 PolarHBondContact O-N 3.23Å; M185-L188 HydrophobicContact CB-CB 3.89Å; M185-L188 HydrophobicContact CB-CD2 4.24Å; M185-L188 WeakPolarHBondContact O-CB 3.48Å; M185-L188 PolarHBondContact O-N 2.87Å; M185-L188 HydrophobicContact SD-CD1 4.41Å; M185-L188 HydrophobicContact SD-CD2 4.12Å; M185-L209 VanDerWaalsContact C-CD2 3.43Å; M185-L209 HydrophobicContact CB-CD2 4.2Å; M185-L209 WeakPolarHBondContact O-CD2 3.25Å
186	V	91.1	Very high	94.7	Very high	87 Å²	87	52.1 Å²	52.1	53%	0.527	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.1	-14.9	-171.5	-62.1	0	0	0	0	117	Q184	Q184-V186 VanDerWaalsContact C-N 3.28Å; Q184-V186 PolarHBondContact O-N 3.18Å
187	N	94.6	Very high	94.8	Very high	81 Å²	81	54.4 Å²	54.4	43%	0.433	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	5.1	179.1	-72.1	-42.4	0	0	0	113.1	S162 V164 E165 M185 N189	S162-N187 PolarHBondContact O-ND2 2.9Å; V164-N187 CarbonylContact O-C 3.18Å; V164-N187 VanDerWaalsContact O-C 3.24Å; E165-N187 WeakPolarHBondContact CA-O 3.34Å; M185-N187 PolarHBondContact O-N 3.23Å; N187-N189 PolarHBondContact O-N 2.73Å
188	L	95.9	Very high	94.8	Very high	19 Å²	19	56 Å²	56	10%	0.099	30%	0.296	C	S	.	.			trans	-71.5	113.1	-176	-168.1	70.6	0	0	0	110.5	V164 L167 M185 L191 L209	V164-L188 HydrophobicContact CG1-CD1 4.19Å; V164-L188 HydrophobicContact CG2-CD1 4.37Å; V164-L188 PolarHBondContact O-N 3.43Å; L167-L188 HydrophobicContact CB-CD1 3.99Å; M185-L188 HydrophobicContact CB-CB 3.89Å; M185-L188 HydrophobicContact CB-CD2 4.24Å; M185-L188 WeakPolarHBondContact O-CB 3.48Å; M185-L188 PolarHBondContact O-N 2.87Å; M185-L188 HydrophobicContact SD-CD1 4.41Å; M185-L188 HydrophobicContact SD-CD2 4.12Å; L188-L191 HydrophobicContact CD2-CB 3.93Å; L188-L191 HydrophobicContact CD2-CD2 4.33Å; L188-L209 HydrophobicContact CB-CD2 4.16Å; L188-L209 HydrophobicContact CD2-CD1 4.49Å
189	N	95.2	Very high	94.8	Very high	125 Å²	125	61.9 Å²	61.9	67%	0.668	33%	0.325	S	S	*	.			trans	-90.1	-38.7	175	-63.1	-44.6	0	0	0	111.3	E165 N187	E165-N189 PolarHBondContact O-N 3.38Å; N187-N189 PolarHBondContact O-N 2.73Å
190	T	96.6	Very high	94.7	Very high	67 Å²	67	66.6 Å²	66.6	41%	0.411	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	122.2	-174.9	-42.1	0	0	0	0	111.1	E165 D166 L167	E165-T190 PolarHBondContact O-N 3.49Å; E165-T190 VanDerWaalsContact O-N 3.09Å; D166-T190 WeakPolarHBondContact CA-O 3.02Å; D166-T190 WeakPolarHBondContact OD1-CB 3.07Å; D166-T190 PolarHBondContact OD1-OG1 3.32Å; L167-T190 PolarHBondContact N-O 3Å
191	L	96.6	Very high	94.7	Very high	45 Å²	45	63 Å²	63	24%	0.236	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	114.4	168.6	-179.8	56.8	0	0	0	109.5	L167 V182 L188 L193 F206	L167-L191 HydrophobicContact CB-CD1 4.04Å; L167-L191 HydrophobicContact CD2-CD1 3.86Å; L167-L191 HydrophobicContact CG-CD1 3.95Å; L167-L191 WeakPolarHBondContact O-CA 3.43Å; V182-L191 HydrophobicContact CG1-CD2 3.73Å; L188-L191 HydrophobicContact CD2-CB 3.93Å; L188-L191 HydrophobicContact CD2-CD2 4.33Å; L191-L193 HydrophobicContact CD1-CD1 4.32Å; L191-L193 HydrophobicContact CD1-CD2 4.2Å; L191-L193 HydrophobicContact CD1-CG 4.11Å; L191-L193 HydrophobicContact CD2-CD1 3.88Å; L191-L193 HydrophobicContact CD2-CG 4.49Å; L191-L193 HydrophobicContact CG-CD1 3.91Å; L191-L193 HydrophobicContact CG-CG 3.98Å; L191-F206 HydrophobicContact CD2-CE1 4.24Å
192	T	97.6	Very high	94.5	Very high	46 Å²	46	63.9 Å²	63.9	28%	0.282	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	118.9	-178	-33.1	0	0	0	0	110.6	L167 L169 S170 D194	L167-T192 PolarHBondContact O-N 3.32Å; L169-T192 CarbonylContact C-O 3.6Å; L169-T192 PolarHBondContact N-O 2.99Å; S170-T192 PolarHBondContact N-O 2.95Å; T192-D194 WeakPolarHBondContact CG2-OD1 3.39Å
193	L	97	Very high	94.3	Very high	37 Å²	37	73.2 Å²	73.2	19%	0.194	38%	0.384	C	S	.	.			trans	-132.4	10.2	-173.2	-64.9	173.9	0	0	0	113.4	L169 L177 W179 L191 N196 I198	L169-L193 HydrophobicContact CB-CD2 3.83Å; L169-L193 HydrophobicContact CD1-CD2 4.22Å; L177-L193 HydrophobicContact CD1-CD1 3.96Å; L177-L193 HydrophobicContact CD1-CD2 3.47Å; L177-L193 VanDerWaalsContact CD1-CD2 3.47Å; L177-L193 HydrophobicContact CD1-CG 4.38Å; W179-L193 HydrophobicContact CH2-CD1 4.09Å; W179-L193 HydrophobicContact CZ3-CD1 4.19Å; L191-L193 HydrophobicContact CD1-CD1 4.32Å; L191-L193 HydrophobicContact CD1-CD2 4.2Å; L191-L193 HydrophobicContact CD1-CG 4.11Å; L191-L193 HydrophobicContact CD2-CD1 3.88Å; L191-L193 HydrophobicContact CD2-CG 4.49Å; L191-L193 HydrophobicContact CG-CD1 3.91Å; L191-L193 HydrophobicContact CG-CG 3.98Å; L193-N196 PolarHBondContact O-ND2 3.19Å; L193-I198 HydrophobicContact CB-CD1 4.19Å; L193-I198 HydrophobicContact CD1-CD1 4.03Å; L193-I198 HydrophobicContact CD2-CD1 4.18Å; L193-I198 HydrophobicContact CG-CD1 4.37Å
194	D	96.9	Very high	94	Very high	64 Å²	64	75.2 Å²	75.2	34%	0.342	40%	0.404	S	S	.	.			trans	-60.9	155.3	-179.2	66.2	-73.4	0	0	0	112	S170 Y171 T192 N196	S170-D194 CarbonylContact C-O 3.08Å; S170-D194 WeakPolarHBondContact CA-O 3.41Å; S170-D194 WeakPolarHBondContact CB-OD1 3.32Å; Y171-D194 WeakPolarHBondContact CE2-OD2 3.41Å; Y171-D194 PolarHBondContact N-O 3.4Å; T192-D194 WeakPolarHBondContact CG2-OD1 3.39Å; D194-N196 PolarHBondContact O-N 2.66Å; D194-N196 PolarHBondContact O-ND2 2.69Å
195	H	97.7	Very high	93.7	Very high	120 Å²	120	70.7 Å²	70.7	56%	0.556	38%	0.384	S	S	*	.	S	Bend	trans	53.6	50.1	-178.5	-58.3	87.4	0	0	0	113	Y171 N172	Y171-H195 VanDerWaalsContact CA-O 3.28Å; Y171-H195 WeakPolarHBondContact CA-O 3.48Å; Y171-H195 HydrophobicContact CD1-CB 3.63Å; Y171-H195 AromaticContact CD1-CG 3.76Å; Y171-H195 HydrophobicContact CD2-CB 4.37Å; Y171-H195 HydrophobicContact CE1-CB 3.88Å; Y171-H195 AromaticContact CE1-CD2 3.79Å; Y171-H195 AromaticContact CE1-CE1 3.83Å; Y171-H195 AromaticContact CE1-CG 3.45Å; Y171-H195 VanDerWaalsContact CE1-CG 3.45Å; Y171-H195 AromaticContact CE1-ND1 3.49Å; Y171-H195 WeakPolarHBondContact CE1-ND1 3.05Å; Y171-H195 AromaticContact CE2-ND1 3.75Å; Y171-H195 HydrophobicContact CG-CB 3.9Å; Y171-H195 AromaticContact CZ-CE1 3.59Å; Y171-H195 AromaticContact CZ-CG 3.75Å; Y171-H195 AromaticContact CZ-ND1 3.26Å; Y171-H195 VanDerWaalsContact CZ-ND1 3.26Å; Y171-H195 PolarHBondContact N-O 3.16Å; Y171-H195 PolarHBondContact OH-CE1 3.2Å; Y171-H195 PolarHBondContact OH-ND1 2.04Å; N172-H195 PolarHBondContact N-O 3.38Å; N172-H195 VanDerWaalsContact N-O 3.16Å; N172-H195 VanDerWaalsContact O-O 3.05Å
196	N	98.2	Very high	93.2	Very high	28 Å²	28	75.7 Å²	75.7	15%	0.15	41%	0.406	C	S	.	.	S	Bend	trans	-120.6	-172.8	167.4	-82.1	-77.7	0	0	0	110.4	L169 N172 N173 L174 L193 D194 I198	L169-N196 PolarHBondContact O-ND2 3.11Å; N172-N196 WeakPolarHBondContact CA-OD1 3.28Å; N172-N196 WeakPolarHBondContact CB-OD1 3.37Å; N172-N196 PolarHBondContact O-OD1 2.88Å; N173-N196 PolarHBondContact N-OD1 3.48Å; L174-N196 HydrophobicContact CB-CB 4.24Å; L174-N196 VanDerWaalsContact CB-OD1 3.27Å; L174-N196 WeakPolarHBondContact CB-OD1 3.44Å; L174-N196 WeakPolarHBondContact CG-OD1 3.45Å; L174-N196 PolarHBondContact N-OD1 2.74Å; L193-N196 PolarHBondContact O-ND2 3.19Å; D194-N196 PolarHBondContact O-N 2.66Å; D194-N196 PolarHBondContact O-ND2 2.69Å; N196-I198 HydrophobicContact CB-CD1 4.32Å; N196-I198 HydrophobicContact CB-CG1 4.11Å
197	L	97.4	Very high	92.9	Very high	100 Å²	100	77.3 Å²	77.3	52%	0.524	42%	0.415	S	S	.	.			trans	-109.9	22.8	178.6	-59.1	173	0	0	0	111.9	N173 L174 E175 D199	N173-L197 HydrophobicContact CB-CD1 4.45Å; L174-L197 CarbonylContact O-C 3.11Å; L174-L197 WeakPolarHBondContact O-CA 3.27Å; L174-L197 WeakPolarHBondContact O-CB 3.35Å; L174-L197 PolarHBondContact O-N 2.98Å; E175-L197 HydrophobicContact CG-CB 4.27Å; L197-D199 PolarHBondContact O-N 2.78Å
198	I	95.4	Very high	91.9	Very high	45 Å²	45	79.6 Å²	79.6	23%	0.231	42%	0.424	C	S	.	.			trans	-69.8	116.2	-177.1	-60.3	174	0	0	0	108.9	L174 E175 W179 L193 N196 I201	L174-I198 HydrophobicContact CB-CD1 4.48Å; L174-I198 HydrophobicContact CB-CG1 4.26Å; L174-I198 WeakPolarHBondContact O-CG1 3.45Å; L174-I198 PolarHBondContact O-N 2.72Å; L174-I198 VanDerWaalsContact O-N 3.08Å; E175-I198 WeakPolarHBondContact O-CA 3.12Å; W179-I198 HydrophobicContact CH2-CD1 4.1Å; W179-I198 HydrophobicContact CH2-CG2 4.12Å; W179-I198 HydrophobicContact CZ2-CD1 4.45Å; W179-I198 HydrophobicContact CZ2-CG2 3.73Å; L193-I198 HydrophobicContact CB-CD1 4.19Å; L193-I198 HydrophobicContact CD1-CD1 4.03Å; L193-I198 HydrophobicContact CD2-CD1 4.18Å; L193-I198 HydrophobicContact CG-CD1 4.37Å; N196-I198 HydrophobicContact CB-CD1 4.32Å; N196-I198 HydrophobicContact CB-CG1 4.11Å; I198-I201 HydrophobicContact CG2-CG1 4.28Å
199	D	93.2	Very high	90.6	Very high	148 Å²	148	83 Å²	83	79%	0.791	44%	0.442	S	S	*	.			trans	-103.5	-22.2	-180	65.5	-7.7	0	0	0	113	L197	L197-D199 PolarHBondContact O-N 2.78Å
200	H	92.4	Very high	90.4	Very high	119 Å²	119	81 Å²	81	55%	0.551	43%	0.43	S	S	*	.			trans	-143.5	137.9	-175.9	-179.1	-87.5	0	0	0	112.7	W179	W179-H200 PolarHBondContact NE1-O 2.78Å
201	I	91.2	Very high	90.1	Very high	75 Å²	75	81.7 Å²	81.7	39%	0.385	43%	0.431	S	S	.	.			trans	-118	131.6	171.7	-55.2	178	0	0	0	107.9	W179 I198 T205 F206	W179-I201 HydrophobicContact CD2-CG2 4.05Å; W179-I201 HydrophobicContact CE3-CG2 4.1Å; W179-I201 HydrophobicContact CH2-CD1 4.34Å; W179-I201 HydrophobicContact CH2-CG1 3.86Å; W179-I201 HydrophobicContact CH2-CG2 4.35Å; W179-I201 HydrophobicContact CZ2-CB 4.27Å; W179-I201 HydrophobicContact CZ2-CG1 3.77Å; W179-I201 HydrophobicContact CZ2-CG2 4.31Å; W179-I201 HydrophobicContact CZ3-CG2 4.24Å; I198-I201 HydrophobicContact CG2-CG1 4.28Å; I201-T205 HydrophobicContact CG2-CG2 4.27Å; I201-F206 HydrophobicContact CD1-CE2 4.29Å; I201-F206 HydrophobicContact CD1-CZ 4.49Å; I201-F206 HydrophobicContact CG2-CE2 3.8Å; I201-F206 HydrophobicContact CG2-CZ 4.24Å
202	A	87.9	Confident	89.7	Confident	27 Å²	27	83.7 Å²	83.7	22%	0.223	44%	0.442	C	S	.	.			trans	-61.8	138.3	180	0	0	0	0	0	111.5	W179 G204 T205	W179-A202 HydrophobicContact CB-CB 3.95Å; W179-A202 HydrophobicContact CG-CB 4.11Å; A202-G204 PolarHBondContact O-N 2.8Å; A202-T205 WeakPolarHBondContact O-CB 3.01Å; A202-T205 PolarHBondContact O-N 2.95Å; A202-T205 PolarHBondContact O-OG1 2.85Å
203	E	88.1	Confident	89.3	Confident	196 Å²	196	85.9 Å²	85.9	92%	0.916	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	138.7	173.5	-171.3	178.5	179.3	0	0	109.8	T205	E203-T205 VanDerWaalsContact C-N 3.31Å; E203-T205 PolarHBondContact O-N 2.75Å
204	G	85	Confident	88.8	Confident	47 Å²	47	89 Å²	89	49%	0.485	47%	0.468	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-6.5	-180	0	0	0	0	0	115.6	A202 F206 V207	A202-G204 PolarHBondContact O-N 2.8Å; G204-F206 PolarHBondContact O-N 3.07Å; G204-F206 VanDerWaalsContact O-N 3.12Å; G204-V207 WeakPolarHBondContact O-CB 3.15Å; G204-V207 WeakPolarHBondContact O-CG2 3.4Å; G204-V207 PolarHBondContact O-N 2.8Å; G204-V207 VanDerWaalsContact O-N 3.11Å
205	T	85.7	Confident	88.2	Confident	9 Å²	9	90.7 Å²	90.7	6%	0.055	48%	0.476	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.4	-40.7	-178.7	-61	0	0	0	0	113.4	W179 G183 I201 A202 E203	W179-T205 HydrophobicContact CB-CG2 4Å; W179-T205 WeakPolarHBondContact CB-OG1 3.12Å; W179-T205 HydrophobicContact CD2-CG2 4.37Å; W179-T205 HydrophobicContact CE3-CG2 3.82Å; W179-T205 HydrophobicContact CG-CG2 4.49Å; G183-T205 WeakPolarHBondContact CA-O 3.31Å; I201-T205 HydrophobicContact CG2-CG2 4.27Å; A202-T205 WeakPolarHBondContact O-CB 3.01Å; A202-T205 PolarHBondContact O-N 2.95Å; A202-T205 PolarHBondContact O-OG1 2.85Å; E203-T205 VanDerWaalsContact C-N 3.31Å; E203-T205 PolarHBondContact O-N 2.75Å
206	F	84.4	Confident	87.6	Confident	105 Å²	105	88.6 Å²	88.6	46%	0.461	47%	0.47	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	16.4	-174.4	-53.9	-71.8	0	0	0	113.8	L191 I201 G204 Q208 L209	L191-F206 HydrophobicContact CD2-CE1 4.24Å; I201-F206 HydrophobicContact CD1-CE2 4.29Å; I201-F206 HydrophobicContact CD1-CZ 4.49Å; I201-F206 HydrophobicContact CG2-CE2 3.8Å; I201-F206 HydrophobicContact CG2-CZ 4.24Å; G204-F206 PolarHBondContact O-N 3.07Å; G204-F206 VanDerWaalsContact O-N 3.12Å; F206-Q208 VanDerWaalsContact C-N 3.3Å; F206-Q208 PolarHBondContact O-N 3.32Å; F206-L209 HydrophobicContact CD1-CD1 3.57Å; F206-L209 HydrophobicContact CE1-CD1 4.21Å
207	V	83.3	Confident	86.7	Confident	121 Å²	121	93.2 Å²	93.2	73%	0.733	50%	0.495	S	S	*	.	S	Bend	trans	-73.6	-24.7	-176.6	172.8	0	0	0	0	112.6	G204	G204-V207 WeakPolarHBondContact O-CB 3.15Å; G204-V207 WeakPolarHBondContact O-CG2 3.4Å; G204-V207 PolarHBondContact O-N 2.8Å; G204-V207 VanDerWaalsContact O-N 3.11Å
208	Q	74.4	Confident	85.8	Confident	129 Å²	129	92.7 Å²	92.7	60%	0.603	49%	0.492	S	S	*	.			trans	-103.3	-3.8	-176.6	-66.6	173.2	2	0	0	113.3	G183 F206	G183-Q208 WeakPolarHBondContact O-CB 3.37Å; G183-Q208 PolarHBondContact O-OE1 3.31Å; F206-Q208 VanDerWaalsContact C-N 3.3Å; F206-Q208 PolarHBondContact O-N 3.32Å
209	L	69.2	Low	85	Confident	91 Å²	91	97 Å²	97	48%	0.476	52%	0.516	S	S	.	.			trans	-94.3	0	-178.8	-66.2	174.7	0	0	0	111.1	V182 M185 L188 F206	V182-L209 HydrophobicContact CG1-CD1 4.5Å; M185-L209 VanDerWaalsContact C-CD2 3.43Å; M185-L209 HydrophobicContact CB-CD2 4.2Å; M185-L209 WeakPolarHBondContact O-CD2 3.25Å; L188-L209 HydrophobicContact CB-CD2 4.16Å; L188-L209 HydrophobicContact CD2-CD1 4.49Å; F206-L209 HydrophobicContact CD1-CD1 3.57Å; F206-L209 HydrophobicContact CE1-CD1 4.21Å

Retrieved 209 of 209 residues in 404.2 ms (Link to these results)

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