A0A093HGD7_STRCA Loading...

Leucine-rich repeat-containing protein 17

Involved in bone homeostasis. Acts as a negative regulator of RANKL-induced osteoclast precursor differentiation from bone marrow precursors.

AlphaFold DB , UniProt , Accession A0A093HGD7, Species STRCA (Struthio camelus australis), Gene n/a, Length 438 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	33.7	Very low	32.4	Very low	237 Å²	237	145.7 Å²	145.7	100%	1.167	80%	0.8	S	S	*	*				0	122	0	-78.3	-165	-82.1	0	0	108.2
2	Q	30.8	Very low	32.2	Very low	183 Å²	183	146.7 Å²	146.7	86%	0.855	80%	0.802	S	S	*	*			trans	42.1	103.1	158.4	-65	173.4	-26.9	0	0	117.9
3	A	29.6	Very low	31.7	Very low	91 Å²	91	146 Å²	146	75%	0.752	81%	0.812	S	S	*	*				70.2	104.9	64.8	0	0	0	0	0	113.9
4	V	37.6	Very low	31.3	Very low	149 Å²	149	150.6 Å²	150.6	90%	0.903	82%	0.819	S	S	*	*			trans	-143.2	110.7	134.8	-177.7	0	0	0	0	108.8
5	T	35	Very low	31.2	Very low	117 Å²	117	147.5 Å²	147.5	72%	0.718	82%	0.821	S	S	*	*			trans	-92.5	137	168.6	30	0	0	0	0	110.8
6	V	35.2	Very low	31	Very low	128 Å²	128	145.7 Å²	145.7	78%	0.776	82%	0.822	S	S	*	*			trans	-156.6	98.2	142.9	-177.8	0	0	0	0	106.1
7	I	35.7	Very low	30.8	Very low	137 Å²	137	146.1 Å²	146.1	70%	0.703	82%	0.821	S	S	*	*				67.4	126.6	87.9	-65.7	173.6	0	0	0	112
8	I	31.9	Very low	30.5	Very low	131 Å²	131	147.4 Å²	147.4	67%	0.672	82%	0.818	S	S	*	*			cis	-176.9	149.8	-7.4	-125.3	166.1	0	0	0	108.8
9	L	28.6	Very low	30.3	Very low	131 Å²	131	150.2 Å²	150.2	69%	0.686	81%	0.814	S	S	*	*			trans	55.5	116.7	149.1	-60.7	153.7	0	0	0	120.2
10	L	30.2	Very low	30.2	Very low	152 Å²	152	152.9 Å²	152.9	80%	0.796	82%	0.818	S	S	*	*				50.1	126.7	69.1	-73.8	168.7	0	0	0	114.8
11	L	28.7	Very low	30	Very low	147 Å²	147	152.5 Å²	152.5	77%	0.77	82%	0.821	S	S	*	*			trans	174.4	105.7	132.8	-89.8	161.2	0	0	0	107.9
12	L	29.2	Very low	29.7	Very low	157 Å²	157	151 Å²	151	82%	0.822	80%	0.802	S	S	*	*				56.5	99.3	97.9	-67	-177.1	0	0	0	114.4
13	C	25.9	Very low	29.6	Very low	138 Å²	138	150.3 Å²	150.3	93%	0.932	81%	0.805	S	S	*	*			trans	-96.5	108.7	159	-76.6	0	0	0	0	109.6
14	K	26.4	Very low	29.4	Very low	211 Å²	211	155.9 Å²	155.9	92%	0.917	81%	0.806	S	S	*	*			trans	-108.4	149.6	149.5	-90.5	-168.7	177.4	178.7	0	108.7
15	A	29.7	Very low	29	Very low	103 Å²	103	153.2 Å²	153.2	85%	0.851	79%	0.794	S	S	*	*			trans	-52.7	153.7	-171.3	0	0	0	0	0	116.7
16	S	28.3	Very low	28.7	Very low	119 Å²	119	154.5 Å²	154.5	83%	0.832	80%	0.796	S	S	*	*			trans	-155.5	121.1	146	55.9	0	0	0	0	110.6
17	D	27.3	Very low	28.3	Very low	152 Å²	152	158.4 Å²	158.4	81%	0.813	80%	0.797	S	S	*	*			trans	-56.2	145.7	159.7	-75.1	-55.2	0	0	0	111.3
18	F	24.7	Very low	27.9	Very low	171 Å²	171	157.3 Å²	157.3	75%	0.75	79%	0.792	S	S	*	*				-178.6	143.3	121.9	-117.7	-77.5	0	0	0	114.3
19	R	26.7	Very low	27.6	Very low	199 Å²	199	157.6 Å²	157.6	75%	0.751	80%	0.795	S	S	*	*			trans	87.1	102.5	139.8	-107.1	154.6	-123	-155.3	3.5	120.3
20	K	27.9	Very low	27.5	Very low	205 Å²	205	159.7 Å²	159.7	89%	0.891	80%	0.801	S	S	*	*			trans	-27.5	130.7	137.3	-78.6	170	171.3	169.6	0	113.6
21	T	27.9	Very low	27.3	Very low	144 Å²	144	163.5 Å²	163.5	88%	0.883	81%	0.805	S	S	*	*			trans	-124.3	127.3	148.2	45.7	0	0	0	0	109.7
22	R	26.1	Very low	27.2	Very low	205 Å²	205	165.6 Å²	165.6	77%	0.774	81%	0.811	S	S	*	*			trans	-106.2	124.8	178.3	170.6	-175.6	168.8	-178.6	-3.6	106.2
23	N	28.1	Very low	27.2	Very low	169 Å²	169	165.1 Å²	165.1	90%	0.904	81%	0.81	S	S	*	*			trans	-135.2	119.5	158.9	-99.5	-8.9	0	0	0	109.8
24	R	27.1	Very low	27.3	Very low	208 Å²	208	165.3 Å²	165.3	79%	0.785	81%	0.806	S	S	*	*			trans	-85.4	154.4	158.5	-89.5	178.9	168.2	176.8	-5.6	105.9
25	S	27.4	Very low	27.7	Very low	94 Å²	94	162.5 Å²	162.5	66%	0.657	80%	0.801	S	S	*	*			cis	-175.2	155.5	16	48.9	0	0	0	0	106.7
26	L	29.2	Very low	27.7	Very low	143 Å²	143	169.4 Å²	169.4	75%	0.749	81%	0.805	S	S	*	*				170.7	138.8	87.3	-99.6	149.7	0	0	0	109.8
27	R	27.3	Very low	28	Very low	210 Å²	210	173.4 Å²	173.4	79%	0.792	81%	0.807	S	S	*	*			trans	43.2	143.7	144.4	-76.1	-179	131.7	171.2	-1.9	120.4
28	N	26.6	Very low	28.3	Very low	114 Å²	114	170.5 Å²	170.5	61%	0.61	80%	0.804	S	S	*	*			cis	-170.4	154.7	21.8	-113.3	-3.2	0	0	0	108.4
29	N	25.8	Very low	28.6	Very low	137 Å²	137	167 Å²	167	73%	0.733	80%	0.801	S	S	*	*			trans	59.8	143.5	159	-63.8	-1.6	0	0	0	117.3
30	E	25.8	Very low	29	Very low	175 Å²	175	163.6 Å²	163.6	82%	0.818	81%	0.808	S	S	*	*			cis	-162.3	178	27.3	-132.4	159.4	-150.8	0	0	109.3
31	R	26.8	Very low	29.3	Very low	232 Å²	232	159 Å²	159	88%	0.875	80%	0.797	S	S	*	*			trans	-54.5	146.3	-171.8	-63.4	160.5	167.2	169.7	-5.1	116.4
32	E	27.2	Very low	30	Very low	191 Å²	191	157.6 Å²	157.6	89%	0.893	79%	0.788	S	S	*	*				172.7	151.5	108.1	-100.5	-172.1	151.7	0	0	114.5
33	N	27.8	Very low	30.8	Very low	148 Å²	148	155.5 Å²	155.5	79%	0.791	79%	0.785	S	S	*	*			trans	-56.8	147.3	-179.4	-72.8	-51.1	0	0	0	114.6
34	T	29.5	Very low	31.3	Very low	141 Å²	141	157.9 Å²	157.9	87%	0.865	78%	0.781	S	S	*	*				-174.2	130.8	115.5	23	0	0	0	0	112.7
35	L	33.3	Very low	32.2	Very low	153 Å²	153	155 Å²	155	80%	0.801	78%	0.781	S	S	*	*			trans	-58.2	130.9	168.9	-75.4	112.7	0	0	0	111.8
36	R	30.3	Very low	32.5	Very low	248 Å²	248	153.2 Å²	153.2	94%	0.936	77%	0.772	S	S	*	*			trans	-127.6	93.5	148.6	-80.7	-174.3	168.9	-177.8	-3.1	108.9	A38	R36-A38 PolarHBondContact O-N 3.14Å
37	K	35.6	Very low	33.1	Very low	202 Å²	202	151.7 Å²	151.7	88%	0.878	77%	0.77	S	S	*	*			trans	-70.8	106.9	159.2	-88.8	-179.9	174.5	176.7	0	107.1
38	A	32.9	Very low	34.4	Very low	91 Å²	91	145.2 Å²	145.2	75%	0.752	77%	0.769	S	S	*	*			trans	-142.7	140.5	161.8	0	0	0	0	0	109.1	R36	R36-A38 PolarHBondContact O-N 3.14Å
39	S	31.8	Very low	36.2	Very low	97 Å²	97	144 Å²	144	68%	0.678	76%	0.762	S	S	*	*			trans	85.6	88.2	172.4	-155.8	0	0	0	0	116.3	T41	S39-T41 PolarHBondContact O-N 3.02Å; S39-T41 PolarHBondContact O-OG1 3.43Å; S39-T41 PolarHBondContact OG-OG1 3.13Å
40	S	33.5	Very low	38.8	Very low	128 Å²	128	142.4 Å²	142.4	90%	0.895	76%	0.759	S	S	*	*			trans	-64.4	79.7	151.4	46.4	0	0	0	0	108.6	V42	S40-V42 PolarHBondContact O-N 3.05Å
41	T	35.8	Very low	41.9	Very low	109 Å²	109	135.3 Å²	135.3	67%	0.669	73%	0.729	S	S	*	*			trans	-65.4	124.5	172.5	-51.7	0	0	0	0	107.6	S39 K43	S39-T41 PolarHBondContact O-N 3.02Å; S39-T41 PolarHBondContact O-OG1 3.43Å; S39-T41 PolarHBondContact OG-OG1 3.13Å; T41-K43 PolarHBondContact O-N 3.48Å; T41-K43 VanDerWaalsContact O-N 3.15Å
42	V	42.6	Very low	45	Very low	114 Å²	114	126.9 Å²	126.9	69%	0.691	70%	0.701	S	S	*	*			trans	-25.6	113	166.7	177.7	0	0	0	0	111.1	S40 R44	S40-V42 PolarHBondContact O-N 3.05Å; V42-R44 VanDerWaalsContact C-N 3.25Å; V42-R44 HydrophobicContact CG1-CG 4.32Å; V42-R44 PolarHBondContact O-N 2.89Å
43	K	41.6	Very low	48.2	Very low	162 Å²	162	121.8 Å²	121.8	70%	0.704	68%	0.679	S	S	*	*			trans	-61.3	91.5	168.5	-78.7	-174.4	178	-179.4	0	107.3	T41 D52	T41-K43 PolarHBondContact O-N 3.48Å; T41-K43 VanDerWaalsContact O-N 3.15Å; K43-D52 IonicContact NZ-OD2 3.24Å; K43-D52 PolarHBondContact NZ-OD2 3.42Å
44	R	39.1	Very low	51.3	Low	218 Å²	218	118.5 Å²	118.5	82%	0.823	66%	0.656	S	S	*	*			trans	-70.6	128.8	171.5	-78.5	-177.8	173.4	176.5	-1.6	108.2	V42 A46	V42-R44 VanDerWaalsContact C-N 3.25Å; V42-R44 HydrophobicContact CG1-CG 4.32Å; V42-R44 PolarHBondContact O-N 2.89Å; R44-A46 PolarHBondContact O-N 2.92Å
45	N	45.3	Very low	54.3	Low	149 Å²	149	116.4 Å²	116.4	80%	0.797	64%	0.643	S	S	*	*			trans	-50.4	104	176.7	-71.4	-22.6	0	0	0	112
46	A	34.6	Very low	56.9	Low	56 Å²	56	113.7 Å²	113.7	46%	0.463	62%	0.623	S	S	.	*			trans	-113.8	128.4	165.8	0	0	0	0	0	108.8	R44 G48 L49	R44-A46 PolarHBondContact O-N 2.92Å; A46-G48 PolarHBondContact O-N 3.44Å; A46-L49 HydrophobicContact CB-CD1 4.13Å
47	P	41.5	Very low	59.7	Low	110 Å²	110	107.9 Å²	107.9	71%	0.714	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	131.6	172	-11.6	25.3	0	0	0	109.9
48	G	55.1	Low	62.2	Low	74 Å²	74	107.1 Å²	107.1	76%	0.763	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	99.5	9.9	171.8	0	0	0	0	0	116.7	A46	A46-G48 PolarHBondContact O-N 3.44Å
49	L	63.8	Low	65.1	Low	90 Å²	90	105 Å²	105	47%	0.471	58%	0.583	S	S	.	*	P	Polyproline II helix	trans	-62.6	135.8	168.8	-80.2	146.6	0	0	0	109.9	A46 R67	A46-L49 HydrophobicContact CB-CD1 4.13Å; L49-R67 PolarHBondContact O-NH1 3.19Å
50	P	81.8	Confident	68.2	Low	102 Å²	102	102.8 Å²	102.8	66%	0.662	56%	0.562	S	S	*	*	P	Polyproline II helix	trans	-66.1	148.6	175.1	28.9	-34.2	0	0	0	110.3	R67	P50-R67 VanDerWaalsContact C-NH1 3.33Å; P50-R67 PolarHBondContact O-NH1 2.9Å
51	C	89.7	Confident	71.2	Confident	27 Å²	27	96.9 Å²	96.9	18%	0.182	52%	0.52	C	S	.	.	P	Polyproline II helix	trans	-58.9	144.6	176.8	-59	0	0	0	0	111.5	L62 D63 C64	C51-L62 HydrophobicContact CB-CD1 3.61Å; C51-L62 HydrophobicContact CB-CG 4.34Å; C51-D63 WeakPolarHBondContact CA-O 3.37Å; C51-C64 HydrophobicContact CB-CB 3.98Å; C51-C64 WeakPolarHBondContact CB-SG 3.45Å; C51-C64 VanDerWaalsContact SG-CA 3.57Å; C51-C64 WeakPolarHBondContact SG-CB 3.17Å; C51-C64 CovalentContact SG-SG 2.01Å; C51-C64 PolarHBondContact SG-SG 3.01Å
52	D	92.2	Very high	74	Confident	55 Å²	55	91.7 Å²	91.7	29%	0.294	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.5	131.3	179.7	-66.7	-38.2	0	0	0	109	K43 D63 R67	K43-D52 IonicContact NZ-OD2 3.24Å; K43-D52 PolarHBondContact NZ-OD2 3.42Å; D52-D63 HydrophobicContact CB-CB 4.4Å; D52-D63 PolarHBondContact N-O 3.16Å; D52-D63 PolarHBondContact O-N 2.75Å; D52-R67 IonicContact OD2-NH2 3.85Å; D52-R67 PolarHBondContact OD2-NH2 3.43Å
53	I	93.8	Very high	76.4	Confident	84 Å²	84	88 Å²	88	43%	0.431	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	126.5	175.2	-61.1	170.8	0	0	0	108.2	K60 Y61 L62 P77	I53-K60 HydrophobicContact CG2-CD 4.49Å; I53-K60 HydrophobicContact CG2-CG 4.13Å; I53-Y61 WeakPolarHBondContact CA-O 3.4Å; I53-L62 HydrophobicContact CD1-CD1 4.11Å; I53-L62 HydrophobicContact CG1-CD1 3.61Å; I53-P77 HydrophobicContact CD1-CG 3.93Å
54	Y	92.9	Very high	78.9	Confident	78 Å²	78	80.3 Å²	80.3	31%	0.306	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	167.4	179.3	65.4	-91.5	0	0	0	111.7	Y61 D63	Y54-Y61 HydrophobicContact CD2-CD2 4.32Å; Y54-Y61 HydrophobicContact CD2-CG 4.26Å; Y54-Y61 HydrophobicContact CE2-CD1 4.14Å; Y54-Y61 AromaticContact CE2-CD2 3.87Å; Y54-Y61 HydrophobicContact CE2-CD2 3.87Å; Y54-Y61 AromaticContact CE2-CG 3.57Å; Y54-Y61 HydrophobicContact CE2-CG 3.57Å; Y54-Y61 VanDerWaalsContact CZ-CB 3.43Å; Y54-Y61 AromaticContact CZ-CG 3.73Å; Y54-Y61 PolarHBondContact N-O 3.31Å; Y54-Y61 VanDerWaalsContact N-O 3.1Å; Y54-Y61 PolarHBondContact O-N 2.78Å; Y54-D63 HydrophobicContact CE1-CB 3.88Å
55	T	92.7	Very high	81.4	Confident	97 Å²	97	70.7 Å²	70.7	60%	0.595	40%	0.395	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.3	177.4	-54.7	0	0	0	0	109.4	E59	T55-E59 CarbonylContact C-O 3.39Å; T55-E59 VanDerWaalsContact CA-O 3.27Å; T55-E59 WeakPolarHBondContact CA-O 3.37Å; T55-E59 WeakPolarHBondContact CG2-O 3.25Å
56	Y	87.6	Confident	83.4	Confident	96 Å²	96	68.2 Å²	68.2	38%	0.376	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	128.6	172.8	179.2	-97.1	0	0	0	108.8	H58 E59 P243	Y56-H58 PolarHBondContact O-N 2.98Å; Y56-E59 PolarHBondContact N-O 3.23Å; Y56-E59 PolarHBondContact O-N 2.89Å; Y56-P243 HydrophobicContact CD1-CB 3.33Å; Y56-P243 HydrophobicContact CD1-CG 4.09Å; Y56-P243 HydrophobicContact CE1-CB 3.34Å; Y56-P243 HydrophobicContact CE1-CG 4.05Å; Y56-P243 HydrophobicContact CG-CB 4.03Å; Y56-P243 HydrophobicContact CG-CG 4.36Å
57	L	88.9	Confident	86.1	Confident	127 Å²	127	68 Å²	68	67%	0.665	37%	0.366	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.4	45.4	-174.6	-64.3	176.6	0	0	0	113.4	E59	L57-E59 PolarHBondContact O-N 3.46Å
58	H	90.1	Very high	88.4	Confident	185 Å²	185	69.5 Å²	69.5	86%	0.856	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	11.1	-178.2	-49.6	-75.4	0	0	0	115.9	Y56	Y56-H58 PolarHBondContact O-N 2.98Å
59	E	93.8	Very high	90.1	Very high	46 Å²	46	68 Å²	68	22%	0.215	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	141.4	174.3	-61	-169.4	129.4	0	0	110.9	T55 Y56 L57 Y61 K81 H82 K105	T55-E59 CarbonylContact C-O 3.39Å; T55-E59 VanDerWaalsContact CA-O 3.27Å; T55-E59 WeakPolarHBondContact CA-O 3.37Å; T55-E59 WeakPolarHBondContact CG2-O 3.25Å; Y56-E59 PolarHBondContact N-O 3.23Å; Y56-E59 PolarHBondContact O-N 2.89Å; L57-E59 PolarHBondContact O-N 3.46Å; E59-Y61 HydrophobicContact CB-CE2 3.93Å; E59-Y61 WeakPolarHBondContact O-CD2 3.34Å; E59-Y61 WeakPolarHBondContact O-CE2 3.07Å; E59-K81 HydrophobicContact CB-CB 4.07Å; E59-K81 HydrophobicContact CB-CG 4.14Å; E59-K81 HydrophobicContact CG-CG 4.45Å; E59-H82 IonicContact OE1-NE2 2.72Å; E59-H82 IonicContact OE2-CE1 3.16Å; E59-H82 IonicContact OE2-NE2 3.04Å; E59-H82 PolarHBondContact OE2-NE2 3.43Å; E59-K105 WeakPolarHBondContact OE1-CD 3.49Å; E59-K105 WeakPolarHBondContact OE1-CE 3.42Å; E59-K105 IonicContact OE1-NZ 3.89Å; E59-K105 PolarHBondContact OE1-NZ 2.86Å
60	K	95.2	Very high	91.4	Very high	51 Å²	51	69.2 Å²	69.2	22%	0.222	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.8	-175	-159.5	179.9	-169.8	175.3	0	111	I53 D79 L80 K81 H82	I53-K60 HydrophobicContact CG2-CD 4.49Å; I53-K60 HydrophobicContact CG2-CG 4.13Å; K60-D79 VanDerWaalsContact CD-OD1 3.32Å; K60-D79 WeakPolarHBondContact CD-OD1 3.27Å; K60-D79 VanDerWaalsContact CD-OD2 3.32Å; K60-D79 WeakPolarHBondContact CD-OD2 3.23Å; K60-D79 IonicContact NZ-OD1 3.45Å; K60-D79 PolarHBondContact NZ-OD1 3.26Å; K60-D79 IonicContact NZ-OD2 2.74Å; K60-D79 PolarHBondContact NZ-OD2 3.24Å; K60-L80 HydrophobicContact CB-CD2 4.49Å; K60-L80 HydrophobicContact CD-CD2 4.1Å; K60-L80 HydrophobicContact CG-CD2 3.99Å; K60-K81 PolarHBondContact O-N 3.19Å; K60-H82 PolarHBondContact O-N 2.74Å; K60-H82 VanDerWaalsContact O-N 3.08Å
61	Y	96.4	Very high	91.8	Very high	5 Å²	5	70 Å²	70	2%	0.02	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	137.1	-177.6	-70.8	-104.6	0	0	0	110	I53 Y54 E59 H82 L84 F242	I53-Y61 WeakPolarHBondContact CA-O 3.4Å; Y54-Y61 HydrophobicContact CD2-CD2 4.32Å; Y54-Y61 HydrophobicContact CD2-CG 4.26Å; Y54-Y61 HydrophobicContact CE2-CD1 4.14Å; Y54-Y61 AromaticContact CE2-CD2 3.87Å; Y54-Y61 HydrophobicContact CE2-CD2 3.87Å; Y54-Y61 AromaticContact CE2-CG 3.57Å; Y54-Y61 HydrophobicContact CE2-CG 3.57Å; Y54-Y61 VanDerWaalsContact CZ-CB 3.43Å; Y54-Y61 AromaticContact CZ-CG 3.73Å; Y54-Y61 PolarHBondContact N-O 3.31Å; Y54-Y61 VanDerWaalsContact N-O 3.1Å; Y54-Y61 PolarHBondContact O-N 2.78Å; E59-Y61 HydrophobicContact CB-CE2 3.93Å; E59-Y61 WeakPolarHBondContact O-CD2 3.34Å; E59-Y61 WeakPolarHBondContact O-CE2 3.07Å; Y61-H82 WeakPolarHBondContact CA-O 3.3Å; Y61-H82 HydrophobicContact CD1-CB 3.37Å; Y61-H82 AromaticContact CD1-CG 3.79Å; Y61-H82 AromaticContact CD2-CD2 4Å; Y61-H82 HydrophobicContact CE1-CB 3.41Å; Y61-H82 VanDerWaalsContact CE1-CB 3.41Å; Y61-H82 AromaticContact CE1-CD2 3.55Å; Y61-H82 AromaticContact CE1-CG 3.3Å; Y61-H82 AromaticContact CE1-ND1 3.88Å; Y61-H82 AromaticContact CE2-CD2 3.47Å; Y61-H82 VanDerWaalsContact CE2-CD2 3.47Å; Y61-H82 WeakPolarHBondContact CE2-CD2 3.38Å; Y61-H82 HydrophobicContact CG-CB 3.98Å; Y61-H82 AromaticContact CZ-CD2 3.21Å; Y61-H82 AromaticContact CZ-CG 3.48Å; Y61-H82 VanDerWaalsContact CZ-CG 3.48Å; Y61-H82 AromaticContact CZ-ND1 3.96Å; Y61-H82 AromaticContact CZ-NE2 3.69Å; Y61-H82 PolarHBondContact OH-CD2 3.3Å; Y61-H82 PolarHBondContact OH-NE2 3.1Å; Y61-L84 HydrophobicContact CD1-CD1 4.49Å; Y61-F242 HydrophobicContact CE1-CB 3.93Å
62	L	95.7	Very high	91.8	Very high	0 Å²	0	69.5 Å²	69.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	110.7	164.8	176.8	75.2	0	0	0	108.2	C51 I53 C64 W76 L80 H82 M83 L84	C51-L62 HydrophobicContact CB-CD1 3.61Å; C51-L62 HydrophobicContact CB-CG 4.34Å; I53-L62 HydrophobicContact CD1-CD1 4.11Å; I53-L62 HydrophobicContact CG1-CD1 3.61Å; L62-C64 VanDerWaalsContact CG-SG 3.58Å; L62-W76 HydrophobicContact CD1-CG 4.43Å; L62-W76 HydrophobicContact CD2-CB 4.23Å; L62-W76 HydrophobicContact CD2-CD2 3.43Å; L62-W76 VanDerWaalsContact CD2-CD2 3.43Å; L62-W76 HydrophobicContact CD2-CE3 3.41Å; L62-W76 VanDerWaalsContact CD2-CE3 3.41Å; L62-W76 HydrophobicContact CD2-CG 3.83Å; L62-W76 HydrophobicContact CD2-CH2 4.29Å; L62-W76 HydrophobicContact CD2-CZ2 4.36Å; L62-W76 HydrophobicContact CD2-CZ3 3.82Å; L62-L80 HydrophobicContact CB-CD1 3.72Å; L62-L80 HydrophobicContact CB-CD2 3.76Å; L62-L80 HydrophobicContact CB-CG 4.37Å; L62-L80 HydrophobicContact CD2-CD1 3.82Å; L62-L80 HydrophobicContact CG-CD1 4.27Å; L62-H82 PolarHBondContact N-O 2.89Å; L62-M83 HydrophobicContact CB-CG 4.35Å; L62-M83 HydrophobicContact CD2-CE 3.74Å; L62-M83 HydrophobicContact CD2-CG 4.23Å; L62-L84 PolarHBondContact O-N 3.41Å
63	D	93.8	Very high	91.6	Very high	36 Å²	36	67.9 Å²	67.9	19%	0.193	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	101.4	175.4	-173	2.9	0	0	0	111.2	C51 D52 Y54 Q65 L84	C51-D63 WeakPolarHBondContact CA-O 3.37Å; D52-D63 HydrophobicContact CB-CB 4.4Å; D52-D63 PolarHBondContact N-O 3.16Å; D52-D63 PolarHBondContact O-N 2.75Å; Y54-D63 HydrophobicContact CE1-CB 3.88Å; D63-Q65 WeakPolarHBondContact OD1-CB 3.37Å; D63-Q65 WeakPolarHBondContact OD1-CG 3.42Å; D63-Q65 PolarHBondContact OD1-N 3.09Å; D63-Q65 VanDerWaalsContact OD1-N 3.11Å; D63-Q65 PolarHBondContact OD1-NE2 2.74Å; D63-L84 HydrophobicContact CB-CD1 4.25Å
64	C	93.6	Very high	91.2	Very high	0 Å²	0	68 Å²	68	0%	0	33%	0.33	C	S	.	.			trans	-113.7	24.5	179	-73.4	0	0	0	0	111.2	C51 L62 R67 L69 W76 L84 L85 N88	C51-C64 HydrophobicContact CB-CB 3.98Å; C51-C64 WeakPolarHBondContact CB-SG 3.45Å; C51-C64 VanDerWaalsContact SG-CA 3.57Å; C51-C64 WeakPolarHBondContact SG-CB 3.17Å; C51-C64 CovalentContact SG-SG 2.01Å; C51-C64 PolarHBondContact SG-SG 3.01Å; L62-C64 VanDerWaalsContact CG-SG 3.58Å; C64-R67 WeakPolarHBondContact O-CG 3.17Å; C64-L69 HydrophobicContact CB-CD1 3.7Å; C64-W76 VanDerWaalsContact SG-CZ2 3.51Å; C64-L84 CarbonylContact C-O 3.14Å; C64-L84 WeakPolarHBondContact CA-O 3.45Å; C64-L84 PolarHBondContact N-O 3.12Å; C64-L85 HydrophobicContact CB-CD2 3.58Å; C64-N88 PolarHBondContact O-ND2 2.74Å
65	Q	90.4	Very high	91	Very high	16 Å²	16	71 Å²	71	8%	0.075	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.5	146.1	-175.7	-64.5	176.3	84.8	0	0	112.3	D63 R67 L84 A86 H238 Y240	D63-Q65 WeakPolarHBondContact OD1-CB 3.37Å; D63-Q65 WeakPolarHBondContact OD1-CG 3.42Å; D63-Q65 PolarHBondContact OD1-N 3.09Å; D63-Q65 VanDerWaalsContact OD1-N 3.11Å; D63-Q65 PolarHBondContact OD1-NE2 2.74Å; Q65-R67 WeakPolarHBondContact O-CD 3.21Å; Q65-R67 WeakPolarHBondContact O-CG 3.2Å; Q65-R67 PolarHBondContact O-N 3.14Å; Q65-R67 PolarHBondContact O-NE 3.22Å; Q65-L84 HydrophobicContact CG-CB 3.88Å; Q65-L84 PolarHBondContact N-O 3.36Å; Q65-A86 VanDerWaalsContact CA-O 3.3Å; Q65-A86 WeakPolarHBondContact CA-O 3.43Å; Q65-A86 HydrophobicContact CG-CB 4.07Å; Q65-H238 PolarHBondContact OE1-NE2 2.9Å; Q65-Y240 VanDerWaalsContact OE1-CE1 3.22Å
66	E	89	Confident	91	Very high	98 Å²	98	67.7 Å²	67.7	46%	0.458	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	27.2	176.6	-57.8	-175.7	-176.6	0	0	114.5	A86 R87	E66-A86 PolarHBondContact N-O 3.48Å; E66-R87 WeakPolarHBondContact CA-O 3.44Å; E66-R87 HydrophobicContact CG-CB 3.66Å; E66-R87 HydrophobicContact CG-CG 4.33Å; E66-R87 VanDerWaalsContact OE1-CD 3.29Å; E66-R87 WeakPolarHBondContact OE1-CD 3.46Å; E66-R87 IonicContact OE1-CZ 3.81Å; E66-R87 IonicContact OE1-NE 2.79Å; E66-R87 PolarHBondContact OE1-NE 2.97Å; E66-R87 VanDerWaalsContact OE1-NE 3.16Å; E66-R87 IonicContact OE1-NH1 3.91Å; E66-R87 PolarHBondContact OE1-NH1 3.11Å; E66-R87 IonicContact OE1-NH2 2.91Å
67	R	89.6	Confident	91.3	Very high	50 Å²	50	64.8 Å²	64.8	19%	0.189	32%	0.321	C	S	.	.	S	Bend	trans	-97.7	6.2	-176.6	-57.6	-50.6	176.1	102	2.5	114.6	L49 P50 D52 C64 Q65 L69 N88	L49-R67 PolarHBondContact O-NH1 3.19Å; P50-R67 VanDerWaalsContact C-NH1 3.33Å; P50-R67 PolarHBondContact O-NH1 2.9Å; D52-R67 IonicContact OD2-NH2 3.85Å; D52-R67 PolarHBondContact OD2-NH2 3.43Å; C64-R67 WeakPolarHBondContact O-CG 3.17Å; Q65-R67 WeakPolarHBondContact O-CD 3.21Å; Q65-R67 WeakPolarHBondContact O-CG 3.2Å; Q65-R67 PolarHBondContact O-N 3.14Å; Q65-R67 PolarHBondContact O-NE 3.22Å; R67-L69 HydrophobicContact CB-CD1 4.39Å; R67-L69 HydrophobicContact CB-CD2 4.34Å; R67-L69 HydrophobicContact CB-CG 3.93Å; R67-L69 PolarHBondContact O-N 3.4Å; R67-N88 VanDerWaalsContact C-OD1 3.32Å; R67-N88 WeakPolarHBondContact CA-OD1 3.36Å; R67-N88 PolarHBondContact N-OD1 2.89Å
68	K	90.6	Very high	91.5	Very high	142 Å²	142	63.5 Å²	63.5	62%	0.617	31%	0.314	S	S	*	.			trans	56.8	29.1	-177.5	-53.1	178.7	-179.7	-179.9	0	113.2	N88 K89	K68-N88 PolarHBondContact N-OD1 3.29Å; K68-K89 HydrophobicContact CB-CG 4.5Å
69	L	91.1	Very high	91.7	Very high	42 Å²	42	58.2 Å²	58.2	22%	0.22	29%	0.293	C	S	.	.			trans	-65.1	138	-179.2	-62	174.8	0	0	0	111	C64 R67 W76 L85 N88 K89 I90	C64-L69 HydrophobicContact CB-CD1 3.7Å; R67-L69 HydrophobicContact CB-CD1 4.39Å; R67-L69 HydrophobicContact CB-CD2 4.34Å; R67-L69 HydrophobicContact CB-CG 3.93Å; R67-L69 PolarHBondContact O-N 3.4Å; L69-W76 HydrophobicContact CD1-CH2 4.07Å; L69-W76 HydrophobicContact CD1-CZ2 4.16Å; L69-L85 HydrophobicContact CD1-CD2 4Å; L69-N88 HydrophobicContact CB-CB 4.03Å; L69-N88 PolarHBondContact N-OD1 3.19Å; L69-K89 CarbonylContact O-C 3.56Å; L69-K89 VanDerWaalsContact O-CA 3.25Å; L69-K89 WeakPolarHBondContact O-CA 3.5Å; L69-K89 PolarHBondContact O-N 3.22Å; L69-I90 PolarHBondContact O-N 3.16Å; L69-I90 VanDerWaalsContact O-N 3.15Å
70	I	91.7	Very high	91.8	Very high	116 Å²	116	56 Å²	56	60%	0.595	28%	0.283	S	S	*	.	S	Bend	trans	-108	-14.9	175.5	51.3	155.3	0	0	0	112.4	K89	I70-K89 HydrophobicContact CG2-CB 3.86Å
71	F	88.8	Confident	91.9	Very high	120 Å²	120	56.3 Å²	56.3	53%	0.526	28%	0.284	S	S	.	.	S	Bend	trans	-145.6	164.2	177.6	67.9	-94.7	0	0	0	110.9
72	V	90.3	Very high	91.9	Very high	15 Å²	15	56.3 Å²	56.3	9%	0.091	28%	0.284	C	S	.	.			trans	-89	121.4	173.9	165	0	0	0	0	108.8	W76 M83 L85 M97 F98 Y101	V72-W76 HydrophobicContact CB-CZ3 4.14Å; V72-W76 HydrophobicContact CG1-CE3 4.03Å; V72-W76 HydrophobicContact CG1-CZ3 3.64Å; V72-W76 HydrophobicContact CG2-CZ3 4.36Å; V72-M83 HydrophobicContact CG1-CE 4.45Å; V72-L85 HydrophobicContact CG2-CD1 3.93Å; V72-M97 HydrophobicContact CB-CG 3.94Å; V72-M97 HydrophobicContact CB-SD 4.26Å; V72-M97 HydrophobicContact CG1-CG 4.44Å; V72-M97 HydrophobicContact CG2-CG 4.12Å; V72-M97 HydrophobicContact CG2-SD 3.97Å; V72-F98 HydrophobicContact CB-CE1 4.44Å; V72-F98 HydrophobicContact CG1-CD1 4.34Å; V72-F98 HydrophobicContact CG1-CE1 4.24Å; V72-F98 HydrophobicContact CG2-CD1 4.41Å; V72-F98 HydrophobicContact CG2-CE1 3.54Å; V72-F98 HydrophobicContact CG2-CZ 3.83Å; V72-Y101 HydrophobicContact CG1-CE2 3.88Å
73	S	88.8	Confident	91.9	Very high	22 Å²	22	56.3 Å²	56.3	15%	0.154	28%	0.284	C	S	.	.			trans	-70.7	139.2	-178.9	-178.3	0	0	0	0	110.9	D75 Y101	S73-D75 VanDerWaalsContact C-N 3.26Å; S73-D75 PolarHBondContact OG-N 3.12Å; S73-Y101 PolarHBondContact O-OH 2.04Å
74	P	85.2	Confident	92	Very high	86 Å²	86	54.8 Å²	54.8	56%	0.558	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-13.2	172.7	32.4	-35.5	0	0	0	113.1	W76 K100	P74-W76 VanDerWaalsContact C-N 3.3Å; P74-W76 PolarHBondContact O-N 3.44Å; P74-K100 PolarHBondContact O-NZ 3.22Å
75	D	87.4	Confident	92.1	Very high	140 Å²	140	54.8 Å²	54.8	75%	0.749	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-7	-173.5	-59.9	-37.2	0	0	0	113.5	S73	S73-D75 VanDerWaalsContact C-N 3.26Å; S73-D75 PolarHBondContact OG-N 3.12Å
76	W	92.6	Very high	92.1	Very high	29 Å²	29	54 Å²	54	11%	0.11	27%	0.272	C	S	.	.	S	Bend	trans	-70.4	154.3	179.5	-56.1	-34.9	0	0	0	111.8	L62 C64 L69 V72 P74 L80 M83 L85 K100 Y101	L62-W76 HydrophobicContact CD1-CG 4.43Å; L62-W76 HydrophobicContact CD2-CB 4.23Å; L62-W76 HydrophobicContact CD2-CD2 3.43Å; L62-W76 VanDerWaalsContact CD2-CD2 3.43Å; L62-W76 HydrophobicContact CD2-CE3 3.41Å; L62-W76 VanDerWaalsContact CD2-CE3 3.41Å; L62-W76 HydrophobicContact CD2-CG 3.83Å; L62-W76 HydrophobicContact CD2-CH2 4.29Å; L62-W76 HydrophobicContact CD2-CZ2 4.36Å; L62-W76 HydrophobicContact CD2-CZ3 3.82Å; C64-W76 VanDerWaalsContact SG-CZ2 3.51Å; L69-W76 HydrophobicContact CD1-CH2 4.07Å; L69-W76 HydrophobicContact CD1-CZ2 4.16Å; V72-W76 HydrophobicContact CB-CZ3 4.14Å; V72-W76 HydrophobicContact CG1-CE3 4.03Å; V72-W76 HydrophobicContact CG1-CZ3 3.64Å; V72-W76 HydrophobicContact CG2-CZ3 4.36Å; P74-W76 VanDerWaalsContact C-N 3.3Å; P74-W76 PolarHBondContact O-N 3.44Å; W76-L80 HydrophobicContact CB-CD1 4.15Å; W76-M83 HydrophobicContact CD2-CE 4.48Å; W76-M83 HydrophobicContact CE3-CE 3.29Å; W76-M83 HydrophobicContact CZ3-CE 3.41Å; W76-M83 VanDerWaalsContact CZ3-CE 3.41Å; W76-L85 HydrophobicContact CH2-CD2 3.62Å; W76-L85 HydrophobicContact CZ3-CD2 3.92Å; W76-K100 PolarHBondContact O-NZ 3.13Å; W76-Y101 HydrophobicContact CB-CE1 4.03Å; W76-Y101 WeakPolarHBondContact CB-OH 3.16Å
77	P	93.5	Very high	92.2	Very high	35 Å²	35	51.8 Å²	51.8	23%	0.227	26%	0.259	C	S	.	.			trans	-59	143.5	179.1	-22.9	33.9	0	0	0	112.2	I53 D79 L80 Y101	I53-P77 HydrophobicContact CD1-CG 3.93Å; P77-D79 WeakPolarHBondContact CB-OD1 3.47Å; P77-L80 HydrophobicContact CB-CG 4.3Å; P77-L80 VanDerWaalsContact O-CD1 3.25Å; P77-L80 WeakPolarHBondContact O-CD1 3.01Å; P77-L80 VanDerWaalsContact O-CG 3.23Å; P77-L80 WeakPolarHBondContact O-CG 3.31Å; P77-Y101 WeakPolarHBondContact O-CD1 2.9Å; P77-Y101 VanDerWaalsContact O-CE1 3.28Å; P77-Y101 WeakPolarHBondContact O-CE1 3.19Å
78	D	93.3	Very high	92.4	Very high	99 Å²	99	49.4 Å²	49.4	53%	0.529	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-18	180	56.4	-7.1	0	0	0	113.8	L80 K100	D78-L80 PolarHBondContact O-N 2.96Å; D78-K100 HydrophobicContact CB-CG 4.15Å
79	D	95.1	Very high	92.6	Very high	75 Å²	75	47.4 Å²	47.4	40%	0.401	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.3	5.1	177.9	70.2	-27.3	0	0	0	114.5	K60 P77	K60-D79 VanDerWaalsContact CD-OD1 3.32Å; K60-D79 WeakPolarHBondContact CD-OD1 3.27Å; K60-D79 VanDerWaalsContact CD-OD2 3.32Å; K60-D79 WeakPolarHBondContact CD-OD2 3.23Å; K60-D79 IonicContact NZ-OD1 3.45Å; K60-D79 PolarHBondContact NZ-OD1 3.26Å; K60-D79 IonicContact NZ-OD2 2.74Å; K60-D79 PolarHBondContact NZ-OD2 3.24Å; P77-D79 WeakPolarHBondContact CB-OD1 3.47Å
80	L	96.3	Very high	92.8	Very high	0 Å²	0	45.4 Å²	45.4	0%	0	23%	0.231	C	C	.	.			trans	-59.5	135.9	178.3	-69	172.7	0	0	0	112	K60 L62 W76 P77 D78 M83 Y101 A103 L104	K60-L80 HydrophobicContact CB-CD2 4.49Å; K60-L80 HydrophobicContact CD-CD2 4.1Å; K60-L80 HydrophobicContact CG-CD2 3.99Å; L62-L80 HydrophobicContact CB-CD1 3.72Å; L62-L80 HydrophobicContact CB-CD2 3.76Å; L62-L80 HydrophobicContact CB-CG 4.37Å; L62-L80 HydrophobicContact CD2-CD1 3.82Å; L62-L80 HydrophobicContact CG-CD1 4.27Å; W76-L80 HydrophobicContact CB-CD1 4.15Å; P77-L80 HydrophobicContact CB-CG 4.3Å; P77-L80 VanDerWaalsContact O-CD1 3.25Å; P77-L80 WeakPolarHBondContact O-CD1 3.01Å; P77-L80 VanDerWaalsContact O-CG 3.23Å; P77-L80 WeakPolarHBondContact O-CG 3.31Å; D78-L80 PolarHBondContact O-N 2.96Å; L80-M83 HydrophobicContact CB-CG 4.46Å; L80-M83 HydrophobicContact CD1-CE 4.49Å; L80-M83 HydrophobicContact CD1-CG 4.1Å; L80-M83 HydrophobicContact CD1-SD 4.41Å; L80-Y101 HydrophobicContact CD1-CD1 4.32Å; L80-Y101 HydrophobicContact CD1-CE1 4.26Å; L80-A103 CarbonylContact O-C 3.34Å; L80-L104 HydrophobicContact CB-CD1 4.47Å; L80-L104 PolarHBondContact O-N 3.15Å
81	K	96.8	Very high	93	Very high	56 Å²	56	47.6 Å²	47.6	24%	0.243	23%	0.232	C	C	.	.	S	Bend	trans	-101.4	-33	175.2	-60.8	-57.5	-177.9	-178.9	0	112	E59 K60 A103 K105 S106	E59-K81 HydrophobicContact CB-CB 4.07Å; E59-K81 HydrophobicContact CB-CG 4.14Å; E59-K81 HydrophobicContact CG-CG 4.45Å; K60-K81 PolarHBondContact O-N 3.19Å; K81-A103 HydrophobicContact CD-CB 4.35Å; K81-A103 VanDerWaalsContact CD-O 3.25Å; K81-A103 WeakPolarHBondContact CD-O 3.25Å; K81-K105 WeakPolarHBondContact O-CA 3.2Å; K81-K105 PolarHBondContact O-N 3.18Å; K81-S106 PolarHBondContact O-N 2.98Å
82	H	96.5	Very high	93.4	Very high	5 Å²	5	47.5 Å²	47.5	2%	0.023	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	129.1	-178.3	-51.7	-94.2	0	0	0	110	E59 K60 Y61 L62 S106 F242	E59-H82 IonicContact OE1-NE2 2.72Å; E59-H82 IonicContact OE2-CE1 3.16Å; E59-H82 IonicContact OE2-NE2 3.04Å; E59-H82 PolarHBondContact OE2-NE2 3.43Å; K60-H82 PolarHBondContact O-N 2.74Å; K60-H82 VanDerWaalsContact O-N 3.08Å; Y61-H82 WeakPolarHBondContact CA-O 3.3Å; Y61-H82 HydrophobicContact CD1-CB 3.37Å; Y61-H82 AromaticContact CD1-CG 3.79Å; Y61-H82 AromaticContact CD2-CD2 4Å; Y61-H82 HydrophobicContact CE1-CB 3.41Å; Y61-H82 VanDerWaalsContact CE1-CB 3.41Å; Y61-H82 AromaticContact CE1-CD2 3.55Å; Y61-H82 AromaticContact CE1-CG 3.3Å; Y61-H82 AromaticContact CE1-ND1 3.88Å; Y61-H82 AromaticContact CE2-CD2 3.47Å; Y61-H82 VanDerWaalsContact CE2-CD2 3.47Å; Y61-H82 WeakPolarHBondContact CE2-CD2 3.38Å; Y61-H82 HydrophobicContact CG-CB 3.98Å; Y61-H82 AromaticContact CZ-CD2 3.21Å; Y61-H82 AromaticContact CZ-CG 3.48Å; Y61-H82 VanDerWaalsContact CZ-CG 3.48Å; Y61-H82 AromaticContact CZ-ND1 3.96Å; Y61-H82 AromaticContact CZ-NE2 3.69Å; Y61-H82 PolarHBondContact OH-CD2 3.3Å; Y61-H82 PolarHBondContact OH-NE2 3.1Å; L62-H82 PolarHBondContact N-O 2.89Å; H82-S106 WeakPolarHBondContact CA-O 3.49Å; H82-S106 WeakPolarHBondContact CA-OG 3.46Å; H82-S106 VanDerWaalsContact CB-OG 3.23Å; H82-S106 WeakPolarHBondContact CB-OG 3.28Å; H82-S106 VanDerWaalsContact CG-OG 3.25Å; H82-S106 PolarHBondContact ND1-OG 2.96Å; H82-F242 AromaticContact ND1-CD1 3.65Å; H82-F242 AromaticContact ND1-CE1 3.86Å
83	M	96.2	Very high	93.7	Very high	0 Å²	0	46.8 Å²	46.8	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	113.5	176.2	-74.4	176	87.2	0	0	109.6	L62 V72 W76 L80 L85 Y101 L104 S106 L107 D108	L62-M83 HydrophobicContact CB-CG 4.35Å; L62-M83 HydrophobicContact CD2-CE 3.74Å; L62-M83 HydrophobicContact CD2-CG 4.23Å; V72-M83 HydrophobicContact CG1-CE 4.45Å; W76-M83 HydrophobicContact CD2-CE 4.48Å; W76-M83 HydrophobicContact CE3-CE 3.29Å; W76-M83 HydrophobicContact CZ3-CE 3.41Å; W76-M83 VanDerWaalsContact CZ3-CE 3.41Å; L80-M83 HydrophobicContact CB-CG 4.46Å; L80-M83 HydrophobicContact CD1-CE 4.49Å; L80-M83 HydrophobicContact CD1-CG 4.1Å; L80-M83 HydrophobicContact CD1-SD 4.41Å; M83-L85 HydrophobicContact CE-CD1 4.38Å; M83-Y101 HydrophobicContact CE-CD2 4.07Å; M83-Y101 HydrophobicContact CE-CE1 4.47Å; M83-Y101 HydrophobicContact CE-CE2 3.88Å; M83-Y101 HydrophobicContact CE-CG 4.45Å; M83-Y101 HydrophobicContact SD-CD1 4.25Å; M83-Y101 HydrophobicContact SD-CD2 3.83Å; M83-Y101 HydrophobicContact SD-CE2 4.27Å; M83-Y101 HydrophobicContact SD-CG 3.84Å; M83-L104 HydrophobicContact CB-CD1 3.99Å; M83-L104 HydrophobicContact CB-CD2 4.48Å; M83-L104 HydrophobicContact CG-CD1 3.47Å; M83-L104 VanDerWaalsContact CG-CD1 3.47Å; M83-L104 HydrophobicContact CG-CD2 4.37Å; M83-L104 HydrophobicContact SD-CD1 3.76Å; M83-L104 HydrophobicContact SD-CD2 3.86Å; M83-L104 HydrophobicContact SD-CG 4.49Å; M83-S106 PolarHBondContact N-O 2Å; M83-L107 HydrophobicContact CB-CD1 4Å; M83-D108 PolarHBondContact O-N 3.42Å
84	L	95.4	Very high	94	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.026	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	96.6	179.3	-46.1	178.2	0	0	0	109.4	Y61 L62 D63 C64 Q65 D108 F242	Y61-L84 HydrophobicContact CD1-CD1 4.49Å; L62-L84 PolarHBondContact O-N 3.41Å; D63-L84 HydrophobicContact CB-CD1 4.25Å; C64-L84 CarbonylContact C-O 3.14Å; C64-L84 WeakPolarHBondContact CA-O 3.45Å; C64-L84 PolarHBondContact N-O 3.12Å; Q65-L84 HydrophobicContact CG-CB 3.88Å; Q65-L84 PolarHBondContact N-O 3.36Å; L84-D108 HydrophobicContact CD2-CB 4.18Å; L84-F242 HydrophobicContact CD2-CB 4.36Å
85	L	94.9	Very high	94.5	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.235	C	C	.	.			trans	-112.7	18.2	-177.1	-62.6	167.7	0	0	0	112.4	C64 L69 V72 W76 M83 N88 I90 F98 L107 D108 L109 N112	C64-L85 HydrophobicContact CB-CD2 3.58Å; L69-L85 HydrophobicContact CD1-CD2 4Å; V72-L85 HydrophobicContact CG2-CD1 3.93Å; W76-L85 HydrophobicContact CH2-CD2 3.62Å; W76-L85 HydrophobicContact CZ3-CD2 3.92Å; M83-L85 HydrophobicContact CE-CD1 4.38Å; L85-N88 VanDerWaalsContact C-ND2 3.34Å; L85-N88 PolarHBondContact O-ND2 3.1Å; L85-I90 HydrophobicContact CB-CD1 4.47Å; L85-F98 HydrophobicContact CD1-CE1 4.15Å; L85-L107 HydrophobicContact CD1-CD1 4.02Å; L85-D108 CarbonylContact C-O 3.48Å; L85-D108 VanDerWaalsContact CA-O 3.25Å; L85-D108 WeakPolarHBondContact CA-O 3.14Å; L85-D108 VanDerWaalsContact CB-O 3.27Å; L85-D108 WeakPolarHBondContact CB-O 3.36Å; L85-D108 PolarHBondContact N-O 3.03Å; L85-L109 HydrophobicContact CB-CD2 3.99Å; L85-L109 HydrophobicContact CD1-CD2 3.93Å; L85-N112 PolarHBondContact O-ND2 2.72Å
86	A	91.8	Very high	94.8	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	22%	0.217	C	C	.	.			trans	-61.9	153.8	179.2	0	0	0	0	0	113.6	Q65 E66 N88 D108 Q110	Q65-A86 VanDerWaalsContact CA-O 3.3Å; Q65-A86 WeakPolarHBondContact CA-O 3.43Å; Q65-A86 HydrophobicContact CG-CB 4.07Å; E66-A86 PolarHBondContact N-O 3.48Å; A86-N88 VanDerWaalsContact C-N 3.32Å; A86-N88 PolarHBondContact O-N 3.44Å; A86-N88 PolarHBondContact O-ND2 3.12Å; A86-D108 PolarHBondContact N-O 3.12Å; A86-Q110 VanDerWaalsContact CA-O 3.25Å; A86-Q110 WeakPolarHBondContact CA-O 3.42Å; A86-Q110 HydrophobicContact CB-CG 3.63Å
87	R	89.8	Confident	94.9	Very high	50 Å²	50	47.8 Å²	47.8	19%	0.189	22%	0.221	C	C	.	.	S	Bend	trans	58.2	41.1	175.5	-63.8	168.4	-71.3	-157.6	-12.3	113.6	E66 Q110 Q111 H238 Y240	E66-R87 WeakPolarHBondContact CA-O 3.44Å; E66-R87 HydrophobicContact CG-CB 3.66Å; E66-R87 HydrophobicContact CG-CG 4.33Å; E66-R87 VanDerWaalsContact OE1-CD 3.29Å; E66-R87 WeakPolarHBondContact OE1-CD 3.46Å; E66-R87 IonicContact OE1-CZ 3.81Å; E66-R87 IonicContact OE1-NE 2.79Å; E66-R87 PolarHBondContact OE1-NE 2.97Å; E66-R87 VanDerWaalsContact OE1-NE 3.16Å; E66-R87 IonicContact OE1-NH1 3.91Å; E66-R87 PolarHBondContact OE1-NH1 3.11Å; E66-R87 IonicContact OE1-NH2 2.91Å; R87-Q110 PolarHBondContact N-O 3.47Å; R87-Q111 WeakPolarHBondContact CA-O 3.48Å; R87-Q111 HydrophobicContact CG-CB 3.83Å; R87-Q111 PolarHBondContact N-O 2.74Å; R87-H238 VanDerWaalsContact CZ-CG 3.43Å; R87-H238 VanDerWaalsContact CZ-ND1 3.28Å; R87-H238 PolarHBondContact NE-ND1 3.09Å; R87-H238 VanDerWaalsContact NH1-CG 3.29Å; R87-H238 PolarHBondContact NH2-CD2 2.81Å; R87-H238 PolarHBondContact NH2-CE1 3.46Å; R87-H238 VanDerWaalsContact NH2-CE1 3.33Å; R87-H238 PolarHBondContact NH2-NE2 2.83Å; R87-H238 VanDerWaalsContact NH2-NE2 3.12Å; R87-Y240 PolarHBondContact NH1-OH 3.03Å; R87-Y240 VanDerWaalsContact NH2-CZ 3.35Å; R87-Y240 PolarHBondContact NH2-OH 3.18Å
88	N	93.6	Very high	95	Very high	1 Å²	1	46.1 Å²	46.1	1%	0.005	21%	0.211	C	C	.	.	S	Bend	trans	-108.2	-162.5	173.7	-78.9	-61	0	0	0	110.2	C64 R67 K68 L69 L85 A86 I90 N112	C64-N88 PolarHBondContact O-ND2 2.74Å; R67-N88 VanDerWaalsContact C-OD1 3.32Å; R67-N88 WeakPolarHBondContact CA-OD1 3.36Å; R67-N88 PolarHBondContact N-OD1 2.89Å; K68-N88 PolarHBondContact N-OD1 3.29Å; L69-N88 HydrophobicContact CB-CB 4.03Å; L69-N88 PolarHBondContact N-OD1 3.19Å; L85-N88 VanDerWaalsContact C-ND2 3.34Å; L85-N88 PolarHBondContact O-ND2 3.1Å; A86-N88 VanDerWaalsContact C-N 3.32Å; A86-N88 PolarHBondContact O-N 3.44Å; A86-N88 PolarHBondContact O-ND2 3.12Å; N88-I90 HydrophobicContact CB-CG1 4.38Å; N88-N112 VanDerWaalsContact CA-OD1 3.23Å; N88-N112 WeakPolarHBondContact CA-OD1 3.16Å; N88-N112 WeakPolarHBondContact CB-OD1 3.37Å; N88-N112 PolarHBondContact N-OD1 2.82Å; N88-N112 PolarHBondContact O-OD1 3.11Å
89	K	95.1	Very high	95.1	Very high	99 Å²	99	43.4 Å²	43.4	43%	0.43	20%	0.199	S	C	.	.			trans	-124.7	29	-176.6	-63.6	-63.3	172.4	-162.2	0	111.6	K68 L69 I70 R91 N112 D113	K68-K89 HydrophobicContact CB-CG 4.5Å; L69-K89 CarbonylContact O-C 3.56Å; L69-K89 VanDerWaalsContact O-CA 3.25Å; L69-K89 WeakPolarHBondContact O-CA 3.5Å; L69-K89 PolarHBondContact O-N 3.22Å; I70-K89 HydrophobicContact CG2-CB 3.86Å; K89-R91 PolarHBondContact O-N 3.01Å; K89-N112 PolarHBondContact N-OD1 3.14Å; K89-D113 WeakPolarHBondContact CD-OD2 3.05Å; K89-D113 IonicContact NZ-OD1 3.64Å; K89-D113 IonicContact NZ-OD2 2.85Å
90	I	95.9	Very high	95	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	20%	0.2	C	C	.	.			trans	-70.6	127.1	177.7	-56.6	173.7	0	0	0	107.9	L69 L85 N88 L93 L109 N112 D113 I114	L69-I90 PolarHBondContact O-N 3.16Å; L69-I90 VanDerWaalsContact O-N 3.15Å; L85-I90 HydrophobicContact CB-CD1 4.47Å; N88-I90 HydrophobicContact CB-CG1 4.38Å; I90-L93 HydrophobicContact CG2-CD2 3.86Å; I90-L109 HydrophobicContact CD1-CD2 3.97Å; I90-N112 HydrophobicContact CB-CB 4.41Å; I90-N112 WeakPolarHBondContact CB-OD1 3.44Å; I90-N112 PolarHBondContact N-OD1 3.04Å; I90-N112 VanDerWaalsContact N-OD1 3.1Å; I90-D113 CarbonylContact O-C 3.41Å; I90-D113 WeakPolarHBondContact O-CA 3.33Å; I90-D113 PolarHBondContact O-N 3.06Å; I90-I114 HydrophobicContact CB-CG1 4.36Å; I90-I114 HydrophobicContact CG2-CG1 4.18Å; I90-I114 WeakPolarHBondContact O-CG1 3.2Å; I90-I114 PolarHBondContact O-N 3.31Å; I90-I114 VanDerWaalsContact O-N 3.12Å
91	R	95.9	Very high	95	Very high	163 Å²	163	44.5 Å²	44.5	62%	0.615	20%	0.2	S	C	*	.			trans	-108.5	-30.5	-175.9	-69.6	-179.6	179.5	-141.7	-1.5	114.6	K89 D113 I114 S115	K89-R91 PolarHBondContact O-N 3.01Å; R91-D113 WeakPolarHBondContact CA-O 3.33Å; R91-D113 HydrophobicContact CG-CB 3.84Å; R91-I114 WeakPolarHBondContact O-CA 3.29Å; R91-S115 PolarHBondContact O-N 3.22Å
92	K	96.3	Very high	94.9	Very high	118 Å²	118	48.2 Å²	48.2	51%	0.513	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	132.3	-175.8	-61.8	-175.6	-179.8	178.1	0	109.4	K116	K92-K116 WeakPolarHBondContact CA-O 3.34Å; K92-K116 HydrophobicContact CG-CB 4.37Å
93	L	96.9	Very high	94.9	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	112.4	169.4	-54.8	-175.9	0	0	0	108.1	I90 M97 F98 L109 I114 K116 I117 E118 A121 F122 L133	I90-L93 HydrophobicContact CG2-CD2 3.86Å; L93-M97 HydrophobicContact CD2-SD 3.98Å; L93-F98 HydrophobicContact CD2-CE2 4.2Å; L93-F98 HydrophobicContact CD2-CZ 4.29Å; L93-L109 HydrophobicContact CD1-CD1 3.75Å; L93-L109 HydrophobicContact CD2-CD1 4.18Å; L93-I114 HydrophobicContact CD1-CD1 4.32Å; L93-I114 HydrophobicContact CD2-CD1 4.05Å; L93-I114 HydrophobicContact CG-CD1 4.25Å; L93-I114 HydrophobicContact CG-CG2 4.17Å; L93-K116 PolarHBondContact N-O 2.85Å; L93-I117 HydrophobicContact CB-CG1 4.38Å; L93-I117 HydrophobicContact CB-CG2 4.25Å; L93-I117 HydrophobicContact CD1-CD1 4.03Å; L93-I117 HydrophobicContact CD1-CG1 3.93Å; L93-I117 HydrophobicContact CD1-CG2 4.28Å; L93-I117 HydrophobicContact CG-CG1 4.24Å; L93-E118 PolarHBondContact O-N 2.87Å; L93-A121 HydrophobicContact CB-CB 3.85Å; L93-F122 HydrophobicContact CD1-CE1 3.9Å; L93-F122 HydrophobicContact CD1-CZ 3.68Å; L93-L133 HydrophobicContact CD1-CD2 4.48Å
94	K	95.5	Very high	95	Very high	128 Å²	128	48.9 Å²	48.9	56%	0.557	22%	0.223	S	C	*	.			trans	-87.2	157.1	-178.3	-63.6	-175.3	178.6	-177.9	0	111.4	N96 M97 E118 A121	K94-N96 PolarHBondContact O-N 3.15Å; K94-M97 HydrophobicContact CB-CE 4.13Å; K94-M97 HydrophobicContact CG-CE 4.28Å; K94-M97 WeakPolarHBondContact O-CB 3.07Å; K94-M97 PolarHBondContact O-N 3.27Å; K94-E118 VanDerWaalsContact CA-OE2 3.25Å; K94-E118 WeakPolarHBondContact CA-OE2 3.36Å; K94-A121 WeakPolarHBondContact O-CA 3.3Å
95	N	95.9	Very high	95	Very high	61 Å²	61	52.3 Å²	52.3	33%	0.326	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.7	135.5	172.9	-72.9	-17.5	0	0	0	111.7	M97 E118 Q120	N95-M97 PolarHBondContact O-N 3.37Å; N95-M97 VanDerWaalsContact O-N 3.11Å; N95-E118 PolarHBondContact N-OE2 3.07Å; N95-E118 WeakPolarHBondContact OD1-CB 3.06Å; N95-Q120 HydrophobicContact CB-CB 4.03Å; N95-Q120 WeakPolarHBondContact OD1-CA 3.21Å; N95-Q120 WeakPolarHBondContact OD1-CB 3.29Å; N95-Q120 PolarHBondContact OD1-N 3.42Å
96	N	94.2	Very high	95.1	Very high	66 Å²	66	52.3 Å²	52.3	35%	0.353	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.5	13.2	177.7	-52.1	-55.3	0	0	0	115.5	K94 F98 S99 Q120 F123	K94-N96 PolarHBondContact O-N 3.15Å; N96-F98 PolarHBondContact O-N 2.86Å; N96-F98 VanDerWaalsContact O-N 3.12Å; N96-S99 WeakPolarHBondContact O-CB 3.28Å; N96-S99 PolarHBondContact O-N 3.28Å; N96-S99 VanDerWaalsContact O-N 3.1Å; N96-S99 PolarHBondContact O-OG 3.48Å; N96-Q120 PolarHBondContact N-O 3.32Å; N96-F123 VanDerWaalsContact OD1-CB 3.29Å; N96-F123 WeakPolarHBondContact OD1-CB 3.24Å; N96-F123 WeakPolarHBondContact OD1-CD1 3.39Å; N96-F123 WeakPolarHBondContact OD1-CG 3.4Å
97	M	94.7	Very high	95.3	Very high	43 Å²	43	52.3 Å²	52.3	21%	0.212	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-32.8	-177.5	176.8	172.9	-78.6	0	0	113.3	V72 L93 K94 N95	V72-M97 HydrophobicContact CB-CG 3.94Å; V72-M97 HydrophobicContact CB-SD 4.26Å; V72-M97 HydrophobicContact CG1-CG 4.44Å; V72-M97 HydrophobicContact CG2-CG 4.12Å; V72-M97 HydrophobicContact CG2-SD 3.97Å; L93-M97 HydrophobicContact CD2-SD 3.98Å; K94-M97 HydrophobicContact CB-CE 4.13Å; K94-M97 HydrophobicContact CG-CE 4.28Å; K94-M97 WeakPolarHBondContact O-CB 3.07Å; K94-M97 PolarHBondContact O-N 3.27Å; N95-M97 PolarHBondContact O-N 3.37Å; N95-M97 VanDerWaalsContact O-N 3.11Å
98	F	95.7	Very high	95.6	Very high	0 Å²	0	50 Å²	50	0%	0	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-109.3	8.4	-178.9	-57	-83.5	0	0	0	114	V72 L85 L93 N96 K100 Y101 L107 L109 F122 L125	V72-F98 HydrophobicContact CB-CE1 4.44Å; V72-F98 HydrophobicContact CG1-CD1 4.34Å; V72-F98 HydrophobicContact CG1-CE1 4.24Å; V72-F98 HydrophobicContact CG2-CD1 4.41Å; V72-F98 HydrophobicContact CG2-CE1 3.54Å; V72-F98 HydrophobicContact CG2-CZ 3.83Å; L85-F98 HydrophobicContact CD1-CE1 4.15Å; L93-F98 HydrophobicContact CD2-CE2 4.2Å; L93-F98 HydrophobicContact CD2-CZ 4.29Å; N96-F98 PolarHBondContact O-N 2.86Å; N96-F98 VanDerWaalsContact O-N 3.12Å; F98-K100 PolarHBondContact O-N 3Å; F98-Y101 HydrophobicContact CB-CD2 4.38Å; F98-Y101 HydrophobicContact CD1-CD2 4.38Å; F98-Y101 PolarHBondContact O-N 2.82Å; F98-L107 HydrophobicContact CD1-CD1 4.29Å; F98-L107 HydrophobicContact CD1-CD2 4.07Å; F98-L107 HydrophobicContact CD2-CD2 4.21Å; F98-L107 HydrophobicContact CE1-CD1 3.76Å; F98-L107 HydrophobicContact CE1-CD2 3.88Å; F98-L107 HydrophobicContact CE1-CG 4.48Å; F98-L107 HydrophobicContact CE2-CD2 4.04Å; F98-L107 HydrophobicContact CG-CD2 4.23Å; F98-L107 HydrophobicContact CZ-CD1 4.26Å; F98-L107 HydrophobicContact CZ-CD2 3.88Å; F98-L109 HydrophobicContact CE2-CD1 4.43Å; F98-L109 HydrophobicContact CZ-CD1 4.02Å; F98-L109 HydrophobicContact CZ-CD2 4.29Å; F98-F122 HydrophobicContact CD2-CD1 4.23Å; F98-F122 HydrophobicContact CE2-CD1 4.46Å; F98-F122 HydrophobicContact CE2-CE1 4.3Å; F98-L125 HydrophobicContact CB-CD1 3.76Å; F98-L125 HydrophobicContact CB-CD2 3.87Å; F98-L125 HydrophobicContact CB-CG 4Å; F98-L125 HydrophobicContact CG-CD1 4.23Å
99	S	94.1	Very high	95.7	Very high	42 Å²	42	50 Å²	50	29%	0.294	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-22.2	-170.5	59.5	0	0	0	0	115.2	N96 K102 F123	N96-S99 WeakPolarHBondContact O-CB 3.28Å; N96-S99 PolarHBondContact O-N 3.28Å; N96-S99 VanDerWaalsContact O-N 3.1Å; N96-S99 PolarHBondContact O-OG 3.48Å; S99-K102 WeakPolarHBondContact O-CG 3.47Å; S99-F123 VanDerWaalsContact CA-O 3.29Å; S99-F123 WeakPolarHBondContact CA-O 3.18Å
100	K	94.6	Very high	95.6	Very high	94 Å²	94	45.2 Å²	45.2	41%	0.409	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-35.3	173	-169.5	-173.4	-177.5	-166.4	0	112.1	P74 W76 D78 F98 K102	P74-K100 PolarHBondContact O-NZ 3.22Å; W76-K100 PolarHBondContact O-NZ 3.13Å; D78-K100 HydrophobicContact CB-CG 4.15Å; F98-K100 PolarHBondContact O-N 3Å; K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 3.24Å
101	Y	95.4	Very high	95.4	Very high	3 Å²	3	47.2 Å²	47.2	1%	0.012	22%	0.218	C	C	.	.			trans	-89.2	55.2	-169.4	-50.2	-66.7	0	0	0	112.1	V72 S73 W76 P77 L80 M83 F98 A103 L104 L125	V72-Y101 HydrophobicContact CG1-CE2 3.88Å; S73-Y101 PolarHBondContact O-OH 2.04Å; W76-Y101 HydrophobicContact CB-CE1 4.03Å; W76-Y101 WeakPolarHBondContact CB-OH 3.16Å; P77-Y101 WeakPolarHBondContact O-CD1 2.9Å; P77-Y101 VanDerWaalsContact O-CE1 3.28Å; P77-Y101 WeakPolarHBondContact O-CE1 3.19Å; L80-Y101 HydrophobicContact CD1-CD1 4.32Å; L80-Y101 HydrophobicContact CD1-CE1 4.26Å; M83-Y101 HydrophobicContact CE-CD2 4.07Å; M83-Y101 HydrophobicContact CE-CE1 4.47Å; M83-Y101 HydrophobicContact CE-CE2 3.88Å; M83-Y101 HydrophobicContact CE-CG 4.45Å; M83-Y101 HydrophobicContact SD-CD1 4.25Å; M83-Y101 HydrophobicContact SD-CD2 3.83Å; M83-Y101 HydrophobicContact SD-CE2 4.27Å; M83-Y101 HydrophobicContact SD-CG 3.84Å; F98-Y101 HydrophobicContact CB-CD2 4.38Å; F98-Y101 HydrophobicContact CD1-CD2 4.38Å; F98-Y101 PolarHBondContact O-N 2.82Å; Y101-A103 PolarHBondContact O-N 3.12Å; Y101-A103 VanDerWaalsContact O-N 3.13Å; Y101-L104 WeakPolarHBondContact O-CB 3.5Å; Y101-L104 PolarHBondContact O-N 3.12Å; Y101-L104 VanDerWaalsContact O-N 3.08Å; Y101-L125 WeakPolarHBondContact O-CD2 3.23Å
102	K	95.1	Very high	95.4	Very high	134 Å²	134	39.7 Å²	39.7	58%	0.583	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.4	-176.4	-58	-179.5	-177.5	177.9	0	113.8	S99 K100 L104	S99-K102 WeakPolarHBondContact O-CG 3.47Å; K100-K102 VanDerWaalsContact C-N 3.29Å; K100-K102 PolarHBondContact O-N 3.24Å; K102-L104 VanDerWaalsContact C-N 3.29Å
103	A	95.9	Very high	95.4	Very high	19 Å²	19	36.3 Å²	36.3	16%	0.157	18%	0.177	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-7.7	178.5	0	0	0	0	0	113.5	L80 K81 Y101 K105	L80-A103 CarbonylContact O-C 3.34Å; K81-A103 HydrophobicContact CD-CB 4.35Å; K81-A103 VanDerWaalsContact CD-O 3.25Å; K81-A103 WeakPolarHBondContact CD-O 3.25Å; Y101-A103 PolarHBondContact O-N 3.12Å; Y101-A103 VanDerWaalsContact O-N 3.13Å; A103-K105 PolarHBondContact O-N 3.07Å
104	L	97.3	Very high	95.4	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	18%	0.177	C	C	.	.			trans	-67.8	125.9	-169	-161.3	71.3	0	0	0	111.6	L80 M83 Y101 K102 S106 L107 L125 K127 L128	L80-L104 HydrophobicContact CB-CD1 4.47Å; L80-L104 PolarHBondContact O-N 3.15Å; M83-L104 HydrophobicContact CB-CD1 3.99Å; M83-L104 HydrophobicContact CB-CD2 4.48Å; M83-L104 HydrophobicContact CG-CD1 3.47Å; M83-L104 VanDerWaalsContact CG-CD1 3.47Å; M83-L104 HydrophobicContact CG-CD2 4.37Å; M83-L104 HydrophobicContact SD-CD1 3.76Å; M83-L104 HydrophobicContact SD-CD2 3.86Å; M83-L104 HydrophobicContact SD-CG 4.49Å; Y101-L104 WeakPolarHBondContact O-CB 3.5Å; Y101-L104 PolarHBondContact O-N 3.12Å; Y101-L104 VanDerWaalsContact O-N 3.08Å; K102-L104 VanDerWaalsContact C-N 3.29Å; L104-S106 WeakPolarHBondContact CD1-O 3.5Å; L104-S106 WeakPolarHBondContact CG-O 3.31Å; L104-L107 HydrophobicContact CD2-CB 3.96Å; L104-L107 HydrophobicContact CD2-CD1 4.27Å; L104-L107 HydrophobicContact CD2-CD2 4.48Å; L104-L107 HydrophobicContact CD2-CG 4.47Å; L104-L125 HydrophobicContact CB-CD2 4.17Å; L104-L125 HydrophobicContact CD2-CD2 4.21Å; L104-K127 CarbonylContact O-C 3.37Å; L104-L128 HydrophobicContact CB-CD1 4.46Å; L104-L128 HydrophobicContact CD2-CD1 3.99Å; L104-L128 HydrophobicContact CG-CD1 4.03Å; L104-L128 WeakPolarHBondContact O-CA 3.4Å; L104-L128 PolarHBondContact O-N 3.43Å
105	K	96.2	Very high	95.5	Very high	77 Å²	77	33.2 Å²	33.2	34%	0.335	17%	0.172	S	C	.	.	S	Bend	trans	-98.8	-32.5	174.7	-65.9	-176.4	175.9	-177	0	111.9	E59 K81 A103 T129 T130	E59-K105 WeakPolarHBondContact OE1-CD 3.49Å; E59-K105 WeakPolarHBondContact OE1-CE 3.42Å; E59-K105 IonicContact OE1-NZ 3.89Å; E59-K105 PolarHBondContact OE1-NZ 2.86Å; K81-K105 WeakPolarHBondContact O-CA 3.2Å; K81-K105 PolarHBondContact O-N 3.18Å; A103-K105 PolarHBondContact O-N 3.07Å; K105-T129 PolarHBondContact O-N 3.5Å; K105-T129 PolarHBondContact O-OG1 2.86Å; K105-T129 VanDerWaalsContact O-OG1 3.09Å; K105-T130 PolarHBondContact O-N 2.95Å; K105-T130 VanDerWaalsContact O-N 3.15Å
106	S	96.2	Very high	95.5	Very high	0 Å²	0	36.1 Å²	36.1	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	143.3	177.5	75.7	0	0	0	0	114.3	K81 H82 M83 L104 T130 F242	K81-S106 PolarHBondContact O-N 2.98Å; H82-S106 WeakPolarHBondContact CA-O 3.49Å; H82-S106 WeakPolarHBondContact CA-OG 3.46Å; H82-S106 VanDerWaalsContact CB-OG 3.23Å; H82-S106 WeakPolarHBondContact CB-OG 3.28Å; H82-S106 VanDerWaalsContact CG-OG 3.25Å; H82-S106 PolarHBondContact ND1-OG 2.96Å; M83-S106 PolarHBondContact N-O 2Å; L104-S106 WeakPolarHBondContact CD1-O 3.5Å; L104-S106 WeakPolarHBondContact CG-O 3.31Å; S106-T130 WeakPolarHBondContact CA-O 2.98Å; S106-F242 WeakPolarHBondContact OG-CE2 3.24Å
107	L	97.3	Very high	95.6	Very high	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	112.6	178.9	179.9	55.5	0	0	0	109.4	M83 L85 F98 L104 L109 F122 L125 L128 T130 L131 L132	M83-L107 HydrophobicContact CB-CD1 4Å; L85-L107 HydrophobicContact CD1-CD1 4.02Å; F98-L107 HydrophobicContact CD1-CD1 4.29Å; F98-L107 HydrophobicContact CD1-CD2 4.07Å; F98-L107 HydrophobicContact CD2-CD2 4.21Å; F98-L107 HydrophobicContact CE1-CD1 3.76Å; F98-L107 HydrophobicContact CE1-CD2 3.88Å; F98-L107 HydrophobicContact CE1-CG 4.48Å; F98-L107 HydrophobicContact CE2-CD2 4.04Å; F98-L107 HydrophobicContact CG-CD2 4.23Å; F98-L107 HydrophobicContact CZ-CD1 4.26Å; F98-L107 HydrophobicContact CZ-CD2 3.88Å; L104-L107 HydrophobicContact CD2-CB 3.96Å; L104-L107 HydrophobicContact CD2-CD1 4.27Å; L104-L107 HydrophobicContact CD2-CD2 4.48Å; L104-L107 HydrophobicContact CD2-CG 4.47Å; L107-L109 HydrophobicContact CD1-CD1 4.27Å; L107-L109 HydrophobicContact CD1-CD2 4.48Å; L107-L109 HydrophobicContact CD1-CG 4.05Å; L107-L109 HydrophobicContact CD2-CD1 3.8Å; L107-L109 HydrophobicContact CD2-CG 4.45Å; L107-L109 HydrophobicContact CG-CD1 3.84Å; L107-L109 HydrophobicContact CG-CG 3.96Å; L107-F122 HydrophobicContact CD2-CD1 4.26Å; L107-F122 HydrophobicContact CD2-CE1 4.03Å; L107-L125 HydrophobicContact CD2-CD1 4.11Å; L107-L128 HydrophobicContact CB-CD1 3.79Å; L107-L128 HydrophobicContact CB-CD2 4.43Å; L107-T130 PolarHBondContact N-O 3.24Å; L107-L131 HydrophobicContact CB-CD1 4.05Å; L107-L131 HydrophobicContact CD2-CD1 4.03Å; L107-L131 HydrophobicContact CG-CD1 4.03Å; L107-L131 WeakPolarHBondContact O-CA 3.34Å; L107-L132 PolarHBondContact O-N 3.07Å
108	D	95.8	Very high	95.7	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.011	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	109.7	176.3	-178	4.3	0	0	0	110.6	M83 L84 L85 A86 Q110 L132	M83-D108 PolarHBondContact O-N 3.42Å; L84-D108 HydrophobicContact CD2-CB 4.18Å; L85-D108 CarbonylContact C-O 3.48Å; L85-D108 VanDerWaalsContact CA-O 3.25Å; L85-D108 WeakPolarHBondContact CA-O 3.14Å; L85-D108 VanDerWaalsContact CB-O 3.27Å; L85-D108 WeakPolarHBondContact CB-O 3.36Å; L85-D108 PolarHBondContact N-O 3.03Å; A86-D108 PolarHBondContact N-O 3.12Å; D108-Q110 VanDerWaalsContact CG-NE2 3.3Å; D108-Q110 WeakPolarHBondContact OD1-CB 3.08Å; D108-Q110 WeakPolarHBondContact OD1-CG 3.38Å; D108-Q110 PolarHBondContact OD1-N 3.16Å; D108-Q110 VanDerWaalsContact OD1-N 3.07Å; D108-Q110 PolarHBondContact OD1-NE2 3.06Å; D108-Q110 PolarHBondContact OD2-NE2 3.38Å; D108-L132 HydrophobicContact CB-CD1 3.85Å
109	L	96.1	Very high	95.6	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.192	C	C	.	.			trans	-118.7	15.5	178.7	-72.6	166.8	0	0	0	112.1	L85 I90 L93 F98 L107 N112 I114 F122 L131 L132 L133 N136	L85-L109 HydrophobicContact CB-CD2 3.99Å; L85-L109 HydrophobicContact CD1-CD2 3.93Å; I90-L109 HydrophobicContact CD1-CD2 3.97Å; L93-L109 HydrophobicContact CD1-CD1 3.75Å; L93-L109 HydrophobicContact CD2-CD1 4.18Å; F98-L109 HydrophobicContact CE2-CD1 4.43Å; F98-L109 HydrophobicContact CZ-CD1 4.02Å; F98-L109 HydrophobicContact CZ-CD2 4.29Å; L107-L109 HydrophobicContact CD1-CD1 4.27Å; L107-L109 HydrophobicContact CD1-CD2 4.48Å; L107-L109 HydrophobicContact CD1-CG 4.05Å; L107-L109 HydrophobicContact CD2-CD1 3.8Å; L107-L109 HydrophobicContact CD2-CG 4.45Å; L107-L109 HydrophobicContact CG-CD1 3.84Å; L107-L109 HydrophobicContact CG-CG 3.96Å; L109-N112 PolarHBondContact O-ND2 2.66Å; L109-N112 VanDerWaalsContact O-ND2 3.11Å; L109-I114 HydrophobicContact CB-CD1 3.91Å; L109-I114 HydrophobicContact CD1-CD1 4.43Å; L109-I114 HydrophobicContact CD2-CD1 4.35Å; L109-I114 HydrophobicContact CG-CD1 4.47Å; L109-F122 HydrophobicContact CD1-CE1 4.43Å; L109-L131 HydrophobicContact CD1-CD1 4.41Å; L109-L132 CarbonylContact C-O 3.55Å; L109-L132 WeakPolarHBondContact CA-O 3.38Å; L109-L132 WeakPolarHBondContact CB-O 2.98Å; L109-L132 PolarHBondContact N-O 3.29Å; L109-L133 HydrophobicContact CB-CD2 3.97Å; L109-L133 HydrophobicContact CD1-CD2 4.14Å; L109-N136 PolarHBondContact O-ND2 3.27Å
110	Q	93.3	Very high	95.7	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	19%	0.193	C	C	.	.			trans	-64.9	160.2	-177.3	78.8	-170.4	-65.5	0	0	112.4	A86 R87 D108 N112 L132 Q134 M239	A86-Q110 VanDerWaalsContact CA-O 3.25Å; A86-Q110 WeakPolarHBondContact CA-O 3.42Å; A86-Q110 HydrophobicContact CB-CG 3.63Å; R87-Q110 PolarHBondContact N-O 3.47Å; D108-Q110 VanDerWaalsContact CG-NE2 3.3Å; D108-Q110 WeakPolarHBondContact OD1-CB 3.08Å; D108-Q110 WeakPolarHBondContact OD1-CG 3.38Å; D108-Q110 PolarHBondContact OD1-N 3.16Å; D108-Q110 VanDerWaalsContact OD1-N 3.07Å; D108-Q110 PolarHBondContact OD1-NE2 3.06Å; D108-Q110 PolarHBondContact OD2-NE2 3.38Å; Q110-N112 PolarHBondContact O-N 3.05Å; Q110-N112 PolarHBondContact O-ND2 3.28Å; Q110-L132 PolarHBondContact N-O 3Å; Q110-Q134 VanDerWaalsContact CA-O 3.23Å; Q110-Q134 WeakPolarHBondContact CA-O 3.32Å; Q110-Q134 HydrophobicContact CB-CG 3.91Å; Q110-Q134 WeakPolarHBondContact CB-O 3.04Å; Q110-Q134 VanDerWaalsContact CD-NE2 3.26Å; Q110-M239 PolarHBondContact NE2-O 3.34Å; Q110-M239 PolarHBondContact OE1-O 3.02Å
111	Q	91.4	Very high	95.8	Very high	42 Å²	42	34.3 Å²	34.3	20%	0.196	17%	0.174	C	C	.	.	S	Bend	trans	54.3	39.1	174.6	-63.9	-178.8	-21.7	0	0	112.6	R87 Q134 H135 H238	R87-Q111 WeakPolarHBondContact CA-O 3.48Å; R87-Q111 HydrophobicContact CG-CB 3.83Å; R87-Q111 PolarHBondContact N-O 2.74Å; Q111-Q134 PolarHBondContact N-O 2.54Å; Q111-Q134 VanDerWaalsContact N-O 3.11Å; Q111-H135 WeakPolarHBondContact CA-O 3.28Å; Q111-H135 HydrophobicContact CB-CB 4.47Å; Q111-H135 HydrophobicContact CG-CB 3.63Å; Q111-H135 PolarHBondContact N-O 2.82Å; Q111-H238 PolarHBondContact OE1-ND1 2.01Å
112	N	95.3	Very high	95.9	Very high	4 Å²	4	34.2 Å²	34.2	2%	0.021	17%	0.173	C	C	.	.	S	Bend	trans	-106.4	-171.1	169.7	-86	-87	0	0	0	109.5	L85 N88 K89 I90 L109 Q110 I114 N136	L85-N112 PolarHBondContact O-ND2 2.72Å; N88-N112 VanDerWaalsContact CA-OD1 3.23Å; N88-N112 WeakPolarHBondContact CA-OD1 3.16Å; N88-N112 WeakPolarHBondContact CB-OD1 3.37Å; N88-N112 PolarHBondContact N-OD1 2.82Å; N88-N112 PolarHBondContact O-OD1 3.11Å; K89-N112 PolarHBondContact N-OD1 3.14Å; I90-N112 HydrophobicContact CB-CB 4.41Å; I90-N112 WeakPolarHBondContact CB-OD1 3.44Å; I90-N112 PolarHBondContact N-OD1 3.04Å; I90-N112 VanDerWaalsContact N-OD1 3.1Å; L109-N112 PolarHBondContact O-ND2 2.66Å; L109-N112 VanDerWaalsContact O-ND2 3.11Å; Q110-N112 PolarHBondContact O-N 3.05Å; Q110-N112 PolarHBondContact O-ND2 3.28Å; N112-I114 HydrophobicContact CB-CD1 4.08Å; N112-I114 HydrophobicContact CB-CG1 3.88Å; N112-N136 VanDerWaalsContact CA-OD1 3.3Å; N112-N136 WeakPolarHBondContact CA-OD1 3.38Å; N112-N136 WeakPolarHBondContact CB-OD1 3.34Å; N112-N136 PolarHBondContact N-OD1 2.88Å; N112-N136 PolarHBondContact O-OD1 3.43Å
113	D	95.8	Very high	95.9	Very high	47 Å²	47	32.1 Å²	32.1	25%	0.251	16%	0.164	S	C	.	.			trans	-105.4	29.3	176.9	-61.6	-33.5	0	0	0	110.7	K89 I90 R91 S115	K89-D113 WeakPolarHBondContact CD-OD2 3.05Å; K89-D113 IonicContact NZ-OD1 3.64Å; K89-D113 IonicContact NZ-OD2 2.85Å; I90-D113 CarbonylContact O-C 3.41Å; I90-D113 WeakPolarHBondContact O-CA 3.33Å; I90-D113 PolarHBondContact O-N 3.06Å; R91-D113 WeakPolarHBondContact CA-O 3.33Å; R91-D113 HydrophobicContact CG-CB 3.84Å; D113-S115 PolarHBondContact O-N 3.2Å
114	I	97.9	Very high	95.8	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.165	C	C	.	.			trans	-69.2	116.1	-169.9	-60	167.8	0	0	0	109.7	I90 R91 L93 L109 N112 I117 L133 N136 Q137 I138	I90-I114 HydrophobicContact CB-CG1 4.36Å; I90-I114 HydrophobicContact CG2-CG1 4.18Å; I90-I114 WeakPolarHBondContact O-CG1 3.2Å; I90-I114 PolarHBondContact O-N 3.31Å; I90-I114 VanDerWaalsContact O-N 3.12Å; R91-I114 WeakPolarHBondContact O-CA 3.29Å; L93-I114 HydrophobicContact CD1-CD1 4.32Å; L93-I114 HydrophobicContact CD2-CD1 4.05Å; L93-I114 HydrophobicContact CG-CD1 4.25Å; L93-I114 HydrophobicContact CG-CG2 4.17Å; L109-I114 HydrophobicContact CB-CD1 3.91Å; L109-I114 HydrophobicContact CD1-CD1 4.43Å; L109-I114 HydrophobicContact CD2-CD1 4.35Å; L109-I114 HydrophobicContact CG-CD1 4.47Å; N112-I114 HydrophobicContact CB-CD1 4.08Å; N112-I114 HydrophobicContact CB-CG1 3.88Å; I114-I117 HydrophobicContact CG2-CD1 4.43Å; I114-I117 HydrophobicContact CG2-CG1 3.94Å; I114-L133 HydrophobicContact CD1-CD2 4.29Å; I114-N136 HydrophobicContact CB-CB 4.2Å; I114-N136 VanDerWaalsContact CB-OD1 3.3Å; I114-N136 WeakPolarHBondContact CB-OD1 3.21Å; I114-N136 WeakPolarHBondContact CG1-OD1 3.48Å; I114-N136 PolarHBondContact N-OD1 3.12Å; I114-Q137 CarbonylContact O-C 3.17Å; I114-Q137 VanDerWaalsContact O-CA 3.28Å; I114-Q137 WeakPolarHBondContact O-CA 3.45Å; I114-Q137 PolarHBondContact O-N 3.25Å; I114-I138 HydrophobicContact CG2-CG1 4.33Å; I114-I138 WeakPolarHBondContact O-CG1 3.45Å; I114-I138 PolarHBondContact O-N 3.09Å
115	S	96.6	Very high	95.8	Very high	64 Å²	64	32 Å²	32	45%	0.448	17%	0.165	S	C	.	.			trans	-113.6	-16.3	179.7	76.4	0	0	0	0	113.8	R91 D113 Q137	R91-S115 PolarHBondContact O-N 3.22Å; D113-S115 PolarHBondContact O-N 3.2Å; S115-Q137 WeakPolarHBondContact CA-O 3.2Å
116	K	96	Very high	95.7	Very high	121 Å²	121	32.6 Å²	32.6	53%	0.526	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	133.6	-179.9	-173.3	172.8	-178.6	176	0	110.8	K92 L93	K92-K116 WeakPolarHBondContact CA-O 3.34Å; K92-K116 HydrophobicContact CG-CB 4.37Å; L93-K116 PolarHBondContact N-O 2.85Å
117	I	97.6	Very high	95.8	Very high	19 Å²	19	38.1 Å²	38.1	10%	0.097	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.9	173.2	-56.7	-178.9	0	0	0	106.6	L93 I114 A121 F122 L133 I138 L141 V145	L93-I117 HydrophobicContact CB-CG1 4.38Å; L93-I117 HydrophobicContact CB-CG2 4.25Å; L93-I117 HydrophobicContact CD1-CD1 4.03Å; L93-I117 HydrophobicContact CD1-CG1 3.93Å; L93-I117 HydrophobicContact CD1-CG2 4.28Å; L93-I117 HydrophobicContact CG-CG1 4.24Å; I114-I117 HydrophobicContact CG2-CD1 4.43Å; I114-I117 HydrophobicContact CG2-CG1 3.94Å; I117-A121 HydrophobicContact CG2-CB 3.75Å; I117-F122 HydrophobicContact CD1-CZ 4.49Å; I117-F122 HydrophobicContact CG2-CE2 3.87Å; I117-F122 HydrophobicContact CG2-CZ 4.25Å; I117-L133 HydrophobicContact CD1-CD1 3.97Å; I117-L133 HydrophobicContact CD1-CD2 4.21Å; I117-I138 HydrophobicContact CD1-CD1 3.82Å; I117-L141 HydrophobicContact CB-CD1 3.94Å; I117-L141 HydrophobicContact CD1-CD1 4.04Å; I117-L141 HydrophobicContact CG1-CD1 4.41Å; I117-L141 HydrophobicContact CG2-CD1 4.35Å; I117-V145 HydrophobicContact CG2-CG1 4.15Å
118	E	96.4	Very high	95.8	Very high	62 Å²	62	38.1 Å²	38.1	29%	0.29	20%	0.196	S	C	.	.			trans	-78	155.6	176	-61.9	179.1	172	0	0	111.1	L93 K94 N95 Q120 A121	L93-E118 PolarHBondContact O-N 2.87Å; K94-E118 VanDerWaalsContact CA-OE2 3.25Å; K94-E118 WeakPolarHBondContact CA-OE2 3.36Å; N95-E118 PolarHBondContact N-OE2 3.07Å; N95-E118 WeakPolarHBondContact OD1-CB 3.06Å; E118-Q120 PolarHBondContact O-N 3.32Å; E118-Q120 VanDerWaalsContact O-N 3.13Å; E118-A121 WeakPolarHBondContact O-CB 3.27Å; E118-A121 PolarHBondContact O-N 3.19Å
119	S	93.7	Very high	95.7	Very high	57 Å²	57	40.2 Å²	40.2	40%	0.399	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-31.1	-170	52.4	0	0	0	0	114.1	Y148	S119-Y148 WeakPolarHBondContact O-CE2 3.19Å
120	Q	96.1	Very high	95.6	Very high	70 Å²	70	40.9 Å²	40.9	33%	0.327	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-107.3	21.1	179.8	-52.7	-175.9	-37	0	0	112.5	N95 N96 E118 F122 F123 Y148	N95-Q120 HydrophobicContact CB-CB 4.03Å; N95-Q120 WeakPolarHBondContact OD1-CA 3.21Å; N95-Q120 WeakPolarHBondContact OD1-CB 3.29Å; N95-Q120 PolarHBondContact OD1-N 3.42Å; N96-Q120 PolarHBondContact N-O 3.32Å; E118-Q120 PolarHBondContact O-N 3.32Å; E118-Q120 VanDerWaalsContact O-N 3.13Å; Q120-F122 PolarHBondContact O-N 2.8Å; Q120-F123 HydrophobicContact CB-CB 4.23Å; Q120-F123 VanDerWaalsContact O-CB 3.29Å; Q120-F123 WeakPolarHBondContact O-CB 3.25Å; Q120-F123 PolarHBondContact O-N 3.36Å; Q120-F123 VanDerWaalsContact O-N 3.15Å; Q120-Y148 HydrophobicContact CB-CE2 4.19Å; Q120-Y148 HydrophobicContact CG-CE2 4Å; Q120-Y148 PolarHBondContact NE2-OH 3.18Å
121	A	96.8	Very high	95.7	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-37.9	-177.8	0	0	0	0	0	112.9	L93 K94 I117 E118	L93-A121 HydrophobicContact CB-CB 3.85Å; K94-A121 WeakPolarHBondContact O-CA 3.3Å; I117-A121 HydrophobicContact CG2-CB 3.75Å; E118-A121 WeakPolarHBondContact O-CB 3.27Å; E118-A121 PolarHBondContact O-N 3.19Å
122	F	97.1	Very high	95.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.8	15.4	-179.6	-54	-61.1	0	0	0	113.7	L93 F98 L107 L109 I117 Q120 G124 L125 L131 V145 Y148 T149	L93-F122 HydrophobicContact CD1-CE1 3.9Å; L93-F122 HydrophobicContact CD1-CZ 3.68Å; F98-F122 HydrophobicContact CD2-CD1 4.23Å; F98-F122 HydrophobicContact CE2-CD1 4.46Å; F98-F122 HydrophobicContact CE2-CE1 4.3Å; L107-F122 HydrophobicContact CD2-CD1 4.26Å; L107-F122 HydrophobicContact CD2-CE1 4.03Å; L109-F122 HydrophobicContact CD1-CE1 4.43Å; I117-F122 HydrophobicContact CD1-CZ 4.49Å; I117-F122 HydrophobicContact CG2-CE2 3.87Å; I117-F122 HydrophobicContact CG2-CZ 4.25Å; Q120-F122 PolarHBondContact O-N 2.8Å; F122-G124 PolarHBondContact O-N 3.39Å; F122-L125 HydrophobicContact CB-CD1 4.11Å; F122-L125 HydrophobicContact CD1-CD1 3.94Å; F122-L125 HydrophobicContact CG-CD1 4.5Å; F122-L125 WeakPolarHBondContact O-CB 3.25Å; F122-L125 WeakPolarHBondContact O-CG 3.29Å; F122-L125 PolarHBondContact O-N 3.2Å; F122-L125 VanDerWaalsContact O-N 3.12Å; F122-L131 HydrophobicContact CE1-CD1 4.13Å; F122-L131 HydrophobicContact CE1-CD2 4.15Å; F122-L131 HydrophobicContact CE2-CD2 4.01Å; F122-L131 HydrophobicContact CZ-CD1 4.3Å; F122-L131 HydrophobicContact CZ-CD2 3.78Å; F122-V145 HydrophobicContact CD2-CB 4.29Å; F122-V145 HydrophobicContact CE2-CB 4.44Å; F122-V145 HydrophobicContact CE2-CG2 4.42Å; F122-Y148 WeakPolarHBondContact O-CB 3.47Å; F122-T149 HydrophobicContact CB-CG2 4Å
123	F	96.2	Very high	95.8	Very high	90 Å²	90	38.7 Å²	38.7	40%	0.395	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.7	130	177.8	-178.8	-92.7	0	0	0	111.5	N96 S99 Q120 Y148	N96-F123 VanDerWaalsContact OD1-CB 3.29Å; N96-F123 WeakPolarHBondContact OD1-CB 3.24Å; N96-F123 WeakPolarHBondContact OD1-CD1 3.39Å; N96-F123 WeakPolarHBondContact OD1-CG 3.4Å; S99-F123 VanDerWaalsContact CA-O 3.29Å; S99-F123 WeakPolarHBondContact CA-O 3.18Å; Q120-F123 HydrophobicContact CB-CB 4.23Å; Q120-F123 VanDerWaalsContact O-CB 3.29Å; Q120-F123 WeakPolarHBondContact O-CB 3.25Å; Q120-F123 PolarHBondContact O-N 3.36Å; Q120-F123 VanDerWaalsContact O-N 3.15Å; F123-Y148 HydrophobicContact CB-CG 4.42Å; F123-Y148 AromaticContact CD2-CD1 3.65Å; F123-Y148 HydrophobicContact CD2-CD1 3.65Å; F123-Y148 AromaticContact CD2-CE1 3.49Å; F123-Y148 HydrophobicContact CD2-CE1 3.49Å; F123-Y148 VanDerWaalsContact CD2-CE1 3.49Å; F123-Y148 HydrophobicContact CD2-CG 4.32Å; F123-Y148 HydrophobicContact CE2-CD1 4.31Å; F123-Y148 HydrophobicContact CE2-CE1 4.01Å
124	G	93.5	Very high	95.6	Very high	16 Å²	16	36.4 Å²	36.4	17%	0.165	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	87.9	-2.6	179.8	0	0	0	0	0	115.6	F122 N126	F122-G124 PolarHBondContact O-N 3.39Å; G124-N126 PolarHBondContact O-N 2.94Å; G124-N126 VanDerWaalsContact O-N 3.12Å; G124-N126 PolarHBondContact O-OD1 3.11Å
125	L	96.8	Very high	95.3	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	20%	0.197	C	C	.	.			trans	-86.9	48.8	178.9	-62.5	-170.2	0	0	0	113.3	F98 Y101 L104 L107 F122 K127 L128 Y148 T149	F98-L125 HydrophobicContact CB-CD1 3.76Å; F98-L125 HydrophobicContact CB-CD2 3.87Å; F98-L125 HydrophobicContact CB-CG 4Å; F98-L125 HydrophobicContact CG-CD1 4.23Å; Y101-L125 WeakPolarHBondContact O-CD2 3.23Å; L104-L125 HydrophobicContact CB-CD2 4.17Å; L104-L125 HydrophobicContact CD2-CD2 4.21Å; L107-L125 HydrophobicContact CD2-CD1 4.11Å; F122-L125 HydrophobicContact CB-CD1 4.11Å; F122-L125 HydrophobicContact CD1-CD1 3.94Å; F122-L125 HydrophobicContact CG-CD1 4.5Å; F122-L125 WeakPolarHBondContact O-CB 3.25Å; F122-L125 WeakPolarHBondContact O-CG 3.29Å; F122-L125 PolarHBondContact O-N 3.2Å; F122-L125 VanDerWaalsContact O-N 3.12Å; L125-K127 PolarHBondContact O-N 3.25Å; L125-K127 VanDerWaalsContact O-N 3.15Å; L125-L128 HydrophobicContact CB-CB 4.04Å; L125-L128 HydrophobicContact CB-CD2 4.46Å; L125-L128 HydrophobicContact CD1-CD2 4.05Å; L125-L128 VanDerWaalsContact O-CB 3.27Å; L125-L128 WeakPolarHBondContact O-CB 3.44Å; L125-L128 PolarHBondContact O-N 3.11Å; L125-L128 VanDerWaalsContact O-N 3.12Å; L125-Y148 CarbonylContact C-O 3.15Å; L125-T149 HydrophobicContact CB-CG2 3.97Å
126	N	94.8	Very high	95.3	Very high	90 Å²	90	34.8 Å²	34.8	48%	0.481	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-9.5	-174.4	50.3	0.4	0	0	0	115.4	G124 V151	G124-N126 PolarHBondContact O-N 2.94Å; G124-N126 VanDerWaalsContact O-N 3.12Å; G124-N126 PolarHBondContact O-OD1 3.11Å; N126-V151 WeakPolarHBondContact O-CG2 3.36Å
127	K	96.7	Very high	95.3	Very high	116 Å²	116	34 Å²	34	50%	0.504	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.2	2	174.4	-64.2	-172.1	179	-176.9	0	113.6	L104 L125 T129	L104-K127 CarbonylContact O-C 3.37Å; L125-K127 PolarHBondContact O-N 3.25Å; L125-K127 VanDerWaalsContact O-N 3.15Å; K127-T129 PolarHBondContact O-N 3.36Å
128	L	97.4	Very high	95.3	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	17%	0.17	C	C	.	.			trans	-72.9	113.4	-173.9	-166	79.3	0	0	0	110.5	L104 L107 L125 L131 T149 V151 L152	L104-L128 HydrophobicContact CB-CD1 4.46Å; L104-L128 HydrophobicContact CD2-CD1 3.99Å; L104-L128 HydrophobicContact CG-CD1 4.03Å; L104-L128 WeakPolarHBondContact O-CA 3.4Å; L104-L128 PolarHBondContact O-N 3.43Å; L107-L128 HydrophobicContact CB-CD1 3.79Å; L107-L128 HydrophobicContact CB-CD2 4.43Å; L125-L128 HydrophobicContact CB-CB 4.04Å; L125-L128 HydrophobicContact CB-CD2 4.46Å; L125-L128 HydrophobicContact CD1-CD2 4.05Å; L125-L128 VanDerWaalsContact O-CB 3.27Å; L125-L128 WeakPolarHBondContact O-CB 3.44Å; L125-L128 PolarHBondContact O-N 3.11Å; L125-L128 VanDerWaalsContact O-N 3.12Å; L128-L131 HydrophobicContact CD2-CB 4.16Å; L128-T149 HydrophobicContact CB-CG2 4.09Å; L128-T149 HydrophobicContact CD2-CG2 3.78Å; L128-V151 CarbonylContact O-C 3.37Å; L128-L152 WeakPolarHBondContact O-CA 3.34Å; L128-L152 PolarHBondContact O-N 2.87Å
129	T	94	Very high	95.3	Very high	47 Å²	47	35.8 Å²	35.8	29%	0.288	18%	0.18	S	C	.	.			trans	-97.3	-23	177.8	58.3	0	0	0	0	112.4	K105 K127 V151 N153 Y154	K105-T129 PolarHBondContact O-N 3.5Å; K105-T129 PolarHBondContact O-OG1 2.86Å; K105-T129 VanDerWaalsContact O-OG1 3.09Å; K127-T129 PolarHBondContact O-N 3.36Å; T129-V151 WeakPolarHBondContact CA-O 3.37Å; T129-V151 HydrophobicContact CG2-CG2 4.27Å; T129-N153 PolarHBondContact O-N 2.95Å; T129-Y154 PolarHBondContact O-N 3.11Å
130	T	93.4	Very high	95.4	Very high	13 Å²	13	34.9 Å²	34.9	8%	0.08	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	125.2	-172.9	-55.4	0	0	0	0	112.4	K105 S106 L107 L132 Y154 V241 F242	K105-T130 PolarHBondContact O-N 2.95Å; K105-T130 VanDerWaalsContact O-N 3.15Å; S106-T130 WeakPolarHBondContact CA-O 2.98Å; L107-T130 PolarHBondContact N-O 3.24Å; T130-L132 HydrophobicContact CG2-CD2 3.93Å; T130-L132 HydrophobicContact CG2-CG 4.33Å; T130-Y154 WeakPolarHBondContact CA-O 3.48Å; T130-Y154 HydrophobicContact CG2-CD1 3.69Å; T130-Y154 HydrophobicContact CG2-CE1 4.46Å; T130-Y154 HydrophobicContact CG2-CG 4.3Å; T130-V241 HydrophobicContact CG2-CG1 4.21Å; T130-F242 HydrophobicContact CG2-CE2 3.44Å; T130-F242 VanDerWaalsContact CG2-CE2 3.44Å; T130-F242 HydrophobicContact CG2-CZ 3.52Å
131	L	95.9	Very high	95.4	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	124.9	178.2	178.7	57.8	0	0	0	110.7	L107 L109 F122 L128 L133 F146 L152 Y154 L155 R156	L107-L131 HydrophobicContact CB-CD1 4.05Å; L107-L131 HydrophobicContact CD2-CD1 4.03Å; L107-L131 HydrophobicContact CG-CD1 4.03Å; L107-L131 WeakPolarHBondContact O-CA 3.34Å; L109-L131 HydrophobicContact CD1-CD1 4.41Å; F122-L131 HydrophobicContact CE1-CD1 4.13Å; F122-L131 HydrophobicContact CE1-CD2 4.15Å; F122-L131 HydrophobicContact CE2-CD2 4.01Å; F122-L131 HydrophobicContact CZ-CD1 4.3Å; F122-L131 HydrophobicContact CZ-CD2 3.78Å; L128-L131 HydrophobicContact CD2-CB 4.16Å; L131-L133 HydrophobicContact CD1-CG 4.23Å; L131-L133 HydrophobicContact CD2-CD1 3.99Å; L131-L133 HydrophobicContact CG-CD1 4.08Å; L131-L133 HydrophobicContact CG-CG 4.11Å; L131-F146 HydrophobicContact CD2-CD1 4.44Å; L131-F146 HydrophobicContact CD2-CE1 3.85Å; L131-L152 HydrophobicContact CB-CD1 3.76Å; L131-Y154 PolarHBondContact N-O 3.29Å; L131-L155 HydrophobicContact CB-CD1 4.03Å; L131-L155 HydrophobicContact CD2-CD1 4.07Å; L131-L155 HydrophobicContact CG-CD1 4Å; L131-L155 WeakPolarHBondContact O-CA 2.89Å; L131-R156 PolarHBondContact O-N 2.98Å; L131-R156 VanDerWaalsContact O-N 3.12Å
132	L	93.9	Very high	95.2	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	114.9	-177.4	-47.5	178.2	0	0	0	109.6	L107 D108 L109 Q110 T130 Y154 R156 V241	L107-L132 PolarHBondContact O-N 3.07Å; D108-L132 HydrophobicContact CB-CD1 3.85Å; L109-L132 CarbonylContact C-O 3.55Å; L109-L132 WeakPolarHBondContact CA-O 3.38Å; L109-L132 WeakPolarHBondContact CB-O 2.98Å; L109-L132 PolarHBondContact N-O 3.29Å; Q110-L132 PolarHBondContact N-O 3Å; T130-L132 HydrophobicContact CG2-CD2 3.93Å; T130-L132 HydrophobicContact CG2-CG 4.33Å; L132-Y154 HydrophobicContact CD2-CD1 4.01Å; L132-Y154 HydrophobicContact CD2-CE1 3.84Å; L132-R156 HydrophobicContact CD2-CB 4.17Å; L132-R156 HydrophobicContact CD2-CG 4.22Å; L132-V241 HydrophobicContact CD1-CB 3.62Å; L132-V241 HydrophobicContact CD1-CG2 3.29Å; L132-V241 HydrophobicContact CD2-CB 4.35Å; L132-V241 HydrophobicContact CD2-CG2 3.69Å; L132-V241 HydrophobicContact CG-CG2 4.14Å
133	L	95.5	Very high	95.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	19%	0.19	C	C	.	.			trans	-125.8	5.6	-178.1	-72.5	169.2	0	0	0	112.2	L93 L109 I114 I117 L131 N136 I138 L155 R156 L157 N160	L93-L133 HydrophobicContact CD1-CD2 4.48Å; L109-L133 HydrophobicContact CB-CD2 3.97Å; L109-L133 HydrophobicContact CD1-CD2 4.14Å; I114-L133 HydrophobicContact CD1-CD2 4.29Å; I117-L133 HydrophobicContact CD1-CD1 3.97Å; I117-L133 HydrophobicContact CD1-CD2 4.21Å; L131-L133 HydrophobicContact CD1-CG 4.23Å; L131-L133 HydrophobicContact CD2-CD1 3.99Å; L131-L133 HydrophobicContact CG-CD1 4.08Å; L131-L133 HydrophobicContact CG-CG 4.11Å; L133-N136 WeakPolarHBondContact O-CB 3.13Å; L133-N136 PolarHBondContact O-ND2 3.46Å; L133-I138 HydrophobicContact CB-CD1 4.17Å; L133-I138 HydrophobicContact CD1-CD1 4.41Å; L133-I138 HydrophobicContact CD2-CD1 4.37Å; L133-L155 HydrophobicContact CD1-CD1 4.41Å; L133-R156 CarbonylContact C-O 3.58Å; L133-R156 WeakPolarHBondContact CA-O 3.4Å; L133-R156 PolarHBondContact N-O 2.79Å; L133-L157 HydrophobicContact CB-CD2 4.11Å; L133-L157 HydrophobicContact CD1-CD2 4.14Å; L133-N160 PolarHBondContact O-ND2 2.81Å
134	Q	91.6	Very high	94.9	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.197	C	C	.	.			trans	-60.3	156.2	178.9	69.6	-84.1	12.9	0	0	112.7	Q110 Q111 N136 R156 Y158	Q110-Q134 VanDerWaalsContact CA-O 3.23Å; Q110-Q134 WeakPolarHBondContact CA-O 3.32Å; Q110-Q134 HydrophobicContact CB-CG 3.91Å; Q110-Q134 WeakPolarHBondContact CB-O 3.04Å; Q110-Q134 VanDerWaalsContact CD-NE2 3.26Å; Q111-Q134 PolarHBondContact N-O 2.54Å; Q111-Q134 VanDerWaalsContact N-O 3.11Å; Q134-N136 PolarHBondContact O-N 3.09Å; Q134-N136 PolarHBondContact O-ND2 2.98Å; Q134-R156 HydrophobicContact CB-CB 4.46Å; Q134-R156 PolarHBondContact N-O 3.12Å; Q134-Y158 WeakPolarHBondContact CA-O 3.47Å; Q134-Y158 HydrophobicContact CB-CD1 3.97Å; Q134-Y158 HydrophobicContact CB-CD2 4.08Å; Q134-Y158 HydrophobicContact CB-CE1 3.8Å; Q134-Y158 HydrophobicContact CB-CE2 3.91Å; Q134-Y158 HydrophobicContact CB-CG 4.1Å; Q134-Y158 WeakPolarHBondContact CB-O 3.23Å; Q134-Y158 HydrophobicContact CG-CE1 3.97Å; Q134-Y158 HydrophobicContact CG-CE2 4.05Å
135	H	90.6	Very high	95	Very high	28 Å²	28	38.1 Å²	38.1	13%	0.13	19%	0.19	C	C	.	.	S	Bend	trans	55.8	49.3	-179.1	-51.5	-73.4	0	0	0	112.8	Q111 Y158 D159	Q111-H135 WeakPolarHBondContact CA-O 3.28Å; Q111-H135 HydrophobicContact CB-CB 4.47Å; Q111-H135 HydrophobicContact CG-CB 3.63Å; Q111-H135 PolarHBondContact N-O 2.82Å; H135-Y158 AromaticContact CE1-CE2 3.88Å; H135-Y158 PolarHBondContact N-O 2.77Å; H135-Y158 VanDerWaalsContact N-O 3.17Å; H135-Y158 AromaticContact NE2-CE2 3.52Å; H135-D159 WeakPolarHBondContact CA-O 3.38Å; H135-D159 IonicContact CE1-OD2 2.77Å; H135-D159 PolarHBondContact CE1-OD2 2.91Å; H135-D159 PolarHBondContact N-O 3.45Å; H135-D159 VanDerWaalsContact ND1-CB 3.28Å; H135-D159 WeakPolarHBondContact ND1-CB 3.28Å; H135-D159 IonicContact ND1-OD2 2.69Å; H135-D159 PolarHBondContact ND1-OD2 2.95Å; H135-D159 IonicContact NE2-OD2 3.74Å
136	N	96.6	Very high	94.9	Very high	2 Å²	2	38.9 Å²	38.9	1%	0.011	19%	0.194	C	C	.	.	S	Bend	trans	-121.3	-163.3	173.4	-85.8	-76.5	0	0	0	109.7	L109 N112 I114 L133 Q134 I138 D159 N160	L109-N136 PolarHBondContact O-ND2 3.27Å; N112-N136 VanDerWaalsContact CA-OD1 3.3Å; N112-N136 WeakPolarHBondContact CA-OD1 3.38Å; N112-N136 WeakPolarHBondContact CB-OD1 3.34Å; N112-N136 PolarHBondContact N-OD1 2.88Å; N112-N136 PolarHBondContact O-OD1 3.43Å; I114-N136 HydrophobicContact CB-CB 4.2Å; I114-N136 VanDerWaalsContact CB-OD1 3.3Å; I114-N136 WeakPolarHBondContact CB-OD1 3.21Å; I114-N136 WeakPolarHBondContact CG1-OD1 3.48Å; I114-N136 PolarHBondContact N-OD1 3.12Å; L133-N136 WeakPolarHBondContact O-CB 3.13Å; L133-N136 PolarHBondContact O-ND2 3.46Å; Q134-N136 PolarHBondContact O-N 3.09Å; Q134-N136 PolarHBondContact O-ND2 2.98Å; N136-I138 HydrophobicContact CB-CD1 4.39Å; N136-I138 HydrophobicContact CB-CG1 4.23Å; N136-D159 PolarHBondContact N-O 3.24Å; N136-N160 VanDerWaalsContact CA-OD1 3.24Å; N136-N160 WeakPolarHBondContact CA-OD1 3.16Å; N136-N160 WeakPolarHBondContact CB-OD1 3.25Å; N136-N160 PolarHBondContact N-OD1 3.25Å; N136-N160 PolarHBondContact O-OD1 3.17Å
137	Q	96.9	Very high	94.8	Very high	104 Å²	104	39.7 Å²	39.7	49%	0.486	20%	0.197	S	C	.	.			trans	-117.8	28.7	-177.1	-60.1	-61.2	-38.4	0	0	111.9	I114 S115 K139 N160	I114-Q137 CarbonylContact O-C 3.17Å; I114-Q137 VanDerWaalsContact O-CA 3.28Å; I114-Q137 WeakPolarHBondContact O-CA 3.45Å; I114-Q137 PolarHBondContact O-N 3.25Å; S115-Q137 WeakPolarHBondContact CA-O 3.2Å; Q137-K139 PolarHBondContact O-N 3.21Å; Q137-N160 PolarHBondContact N-OD1 2.89Å
138	I	97.6	Very high	94.6	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.01	18%	0.183	C	C	.	.			trans	-75.7	123.8	-176.5	-53.5	168.7	0	0	0	109.1	I114 I117 L133 N136 L141 N160 P161 W162	I114-I138 HydrophobicContact CG2-CG1 4.33Å; I114-I138 WeakPolarHBondContact O-CG1 3.45Å; I114-I138 PolarHBondContact O-N 3.09Å; I117-I138 HydrophobicContact CD1-CD1 3.82Å; L133-I138 HydrophobicContact CB-CD1 4.17Å; L133-I138 HydrophobicContact CD1-CD1 4.41Å; L133-I138 HydrophobicContact CD2-CD1 4.37Å; N136-I138 HydrophobicContact CB-CD1 4.39Å; N136-I138 HydrophobicContact CB-CG1 4.23Å; I138-L141 HydrophobicContact CG2-CB 4.31Å; I138-N160 HydrophobicContact CB-CB 4.29Å; I138-N160 WeakPolarHBondContact CB-OD1 3.14Å; I138-N160 WeakPolarHBondContact CG1-OD1 3.45Å; I138-N160 PolarHBondContact N-OD1 3.04Å; I138-P161 CarbonylContact O-C 3.5Å; I138-P161 VanDerWaalsContact O-CD 3.31Å; I138-P161 WeakPolarHBondContact O-CD 3.21Å; I138-W162 HydrophobicContact CB-CH2 4Å; I138-W162 HydrophobicContact CB-CZ2 4.47Å; I138-W162 HydrophobicContact CB-CZ3 4.27Å; I138-W162 HydrophobicContact CG2-CE3 4.42Å; I138-W162 HydrophobicContact CG2-CH2 3.53Å; I138-W162 HydrophobicContact CG2-CZ2 4.45Å; I138-W162 HydrophobicContact CG2-CZ3 3.53Å
139	K	96.1	Very high	94.5	Very high	116 Å²	116	37 Å²	37	50%	0.504	18%	0.184	S	C	.	.			trans	-93.8	-43.4	178.9	-64.2	-176.4	178.6	-172.3	0	112.8	Q137 P161 W162 H163	Q137-K139 PolarHBondContact O-N 3.21Å; K139-P161 WeakPolarHBondContact CA-O 3.29Å; K139-P161 HydrophobicContact CG-CG 4.22Å; K139-W162 CarbonylContact O-C 3.16Å; K139-W162 WeakPolarHBondContact O-CA 3.49Å; K139-H163 PolarHBondContact O-N 3.35Å
140	S	95.2	Very high	94.5	Very high	39 Å²	39	39.4 Å²	39.4	27%	0.273	20%	0.201	S	C	.	.			trans	-147.2	155.5	176.1	-176.8	0	0	0	0	109.6	D167	S140-D167 WeakPolarHBondContact OG-CB 3.28Å; S140-D167 PolarHBondContact OG-O 3.44Å
141	L	95.8	Very high	94.5	Very high	8 Å²	8	41.7 Å²	41.7	4%	0.042	22%	0.215	C	C	.	.			trans	-154.9	131.7	-177.8	-172.4	69	0	0	0	108.6	I117 I138 V145 F146 W162 L171	I117-L141 HydrophobicContact CB-CD1 3.94Å; I117-L141 HydrophobicContact CD1-CD1 4.04Å; I117-L141 HydrophobicContact CG1-CD1 4.41Å; I117-L141 HydrophobicContact CG2-CD1 4.35Å; I138-L141 HydrophobicContact CG2-CB 4.31Å; L141-V145 HydrophobicContact CD1-CB 4.45Å; L141-V145 HydrophobicContact CD1-CG1 3.83Å; L141-V145 HydrophobicContact CD1-CG2 3.86Å; L141-V145 HydrophobicContact CD2-CG2 4.14Å; L141-V145 HydrophobicContact CG-CG2 3.98Å; L141-F146 HydrophobicContact CD2-CE2 3.74Å; L141-F146 HydrophobicContact CD2-CZ 3.52Å; L141-F146 HydrophobicContact CG-CE2 4.33Å; L141-W162 HydrophobicContact CB-CH2 4.14Å; L141-W162 HydrophobicContact CB-CZ3 3.84Å; L141-W162 HydrophobicContact CD2-CH2 4.41Å; L141-L171 HydrophobicContact CB-CD2 4.03Å; L141-L171 HydrophobicContact CD2-CD2 4.46Å; L141-L171 WeakPolarHBondContact O-CB 3.5Å; L141-L171 WeakPolarHBondContact O-CD2 3.47Å
142	S	94.4	Very high	94.4	Very high	36 Å²	36	42.3 Å²	42.3	25%	0.252	22%	0.218	S	C	.	.			trans	-91	155.5	175.2	172.8	0	0	0	0	110.8	E144 V145 T170	S142-E144 PolarHBondContact O-N 3.13Å; S142-E144 PolarHBondContact OG-N 2.81Å; S142-V145 WeakPolarHBondContact O-CG2 3.43Å; S142-T170 PolarHBondContact OG-OG1 3.43Å; S142-T170 VanDerWaalsContact OG-OG1 3.12Å
143	E	94.1	Very high	94.1	Very high	80 Å²	80	47.5 Å²	47.5	37%	0.374	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-59.8	-23.6	174.7	78.2	179.3	176.2	0	0	113.6	V145 F146 T170 M174	E143-V145 PolarHBondContact O-N 3.14Å; E143-F146 WeakPolarHBondContact O-CB 3.22Å; E143-F146 PolarHBondContact O-N 2.91Å; E143-T170 PolarHBondContact N-OG1 2.85Å; E143-T170 VanDerWaalsContact N-OG1 3.12Å; E143-M174 HydrophobicContact CB-CB 4.19Å
144	E	92.9	Very high	93.7	Very high	113 Å²	113	49.3 Å²	49.3	53%	0.528	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-54	-32	-177.2	-71.3	-179.3	-172.1	0	0	113.3	S142 F146 I147	S142-E144 PolarHBondContact O-N 3.13Å; S142-E144 PolarHBondContact OG-N 2.81Å; E144-F146 PolarHBondContact O-N 3.49Å; E144-I147 WeakPolarHBondContact O-CD1 3.27Å; E144-I147 WeakPolarHBondContact O-CG1 3.3Å; E144-I147 WeakPolarHBondContact O-CG2 3.17Å; E144-I147 PolarHBondContact O-N 3.31Å
145	V	94.4	Very high	93.7	Very high	6 Å²	6	49.3 Å²	49.3	4%	0.036	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-64.7	-24	179	-55.2	0	0	0	0	112.4	I117 F122 L141 S142 E143	I117-V145 HydrophobicContact CG2-CG1 4.15Å; F122-V145 HydrophobicContact CD2-CB 4.29Å; F122-V145 HydrophobicContact CE2-CB 4.44Å; F122-V145 HydrophobicContact CE2-CG2 4.42Å; L141-V145 HydrophobicContact CD1-CB 4.45Å; L141-V145 HydrophobicContact CD1-CG1 3.83Å; L141-V145 HydrophobicContact CD1-CG2 3.86Å; L141-V145 HydrophobicContact CD2-CG2 4.14Å; L141-V145 HydrophobicContact CG-CG2 3.98Å; S142-V145 WeakPolarHBondContact O-CG2 3.43Å; E143-V145 PolarHBondContact O-N 3.14Å
146	F	94.7	Very high	93.6	Very high	17 Å²	17	48.5 Å²	48.5	8%	0.075	25%	0.249	C	C	.	.	G	3₁₀ helix	trans	-94.3	-5.1	-175.2	-56.7	-68	0	0	0	113.5	L131 L141 E143 E144 Y148 T149 L152 L155 L171 M174	L131-F146 HydrophobicContact CD2-CD1 4.44Å; L131-F146 HydrophobicContact CD2-CE1 3.85Å; L141-F146 HydrophobicContact CD2-CE2 3.74Å; L141-F146 HydrophobicContact CD2-CZ 3.52Å; L141-F146 HydrophobicContact CG-CE2 4.33Å; E143-F146 WeakPolarHBondContact O-CB 3.22Å; E143-F146 PolarHBondContact O-N 2.91Å; E144-F146 PolarHBondContact O-N 3.49Å; F146-Y148 PolarHBondContact O-N 3.03Å; F146-Y148 VanDerWaalsContact O-N 3.09Å; F146-T149 CarbonylContact O-C 3.43Å; F146-T149 PolarHBondContact O-N 3.5Å; F146-T149 PolarHBondContact O-OG1 3.3Å; F146-L152 HydrophobicContact CD1-CD2 3.74Å; F146-L152 HydrophobicContact CE1-CD2 4.15Å; F146-L155 HydrophobicContact CE1-CD1 4.03Å; F146-L155 HydrophobicContact CE1-CD2 3.81Å; F146-L155 HydrophobicContact CE2-CD2 4.23Å; F146-L155 HydrophobicContact CZ-CD1 4.28Å; F146-L155 HydrophobicContact CZ-CD2 3.62Å; F146-L171 HydrophobicContact CD2-CD1 4.44Å; F146-L171 HydrophobicContact CE2-CD1 3.76Å; F146-M174 HydrophobicContact CB-CE 4.46Å; F146-M174 HydrophobicContact CD2-CE 3.47Å; F146-M174 VanDerWaalsContact CD2-CE 3.47Å; F146-M174 HydrophobicContact CE2-CE 3.89Å; F146-M174 HydrophobicContact CG-CE 4.07Å
147	I	92.8	Very high	93.4	Very high	106 Å²	106	48.4 Å²	48.4	54%	0.544	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-25	176.3	73.2	-171.8	0	0	0	112.2	E144 T149	E144-I147 WeakPolarHBondContact O-CD1 3.27Å; E144-I147 WeakPolarHBondContact O-CG1 3.3Å; E144-I147 WeakPolarHBondContact O-CG2 3.17Å; E144-I147 PolarHBondContact O-N 3.31Å; I147-T149 VanDerWaalsContact C-N 3.34Å
148	Y	93.3	Very high	93	Very high	56 Å²	56	44.7 Å²	44.7	22%	0.22	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.8	-3.1	178.8	-56.5	-63.9	0	0	0	113.7	S119 Q120 F122 F123 L125 F146 P150	S119-Y148 WeakPolarHBondContact O-CE2 3.19Å; Q120-Y148 HydrophobicContact CB-CE2 4.19Å; Q120-Y148 HydrophobicContact CG-CE2 4Å; Q120-Y148 PolarHBondContact NE2-OH 3.18Å; F122-Y148 WeakPolarHBondContact O-CB 3.47Å; F123-Y148 HydrophobicContact CB-CG 4.42Å; F123-Y148 AromaticContact CD2-CD1 3.65Å; F123-Y148 HydrophobicContact CD2-CD1 3.65Å; F123-Y148 AromaticContact CD2-CE1 3.49Å; F123-Y148 HydrophobicContact CD2-CE1 3.49Å; F123-Y148 VanDerWaalsContact CD2-CE1 3.49Å; F123-Y148 HydrophobicContact CD2-CG 4.32Å; F123-Y148 HydrophobicContact CE2-CD1 4.31Å; F123-Y148 HydrophobicContact CE2-CE1 4.01Å; L125-Y148 CarbonylContact C-O 3.15Å; F146-Y148 PolarHBondContact O-N 3.03Å; F146-Y148 VanDerWaalsContact O-N 3.09Å; Y148-P150 VanDerWaalsContact C-CD 3.46Å; Y148-P150 WeakPolarHBondContact O-CD 3.41Å
149	T	95.1	Very high	92.6	Very high	3 Å²	3	48 Å²	48	2%	0.018	25%	0.248	C	C	.	.			trans	-125.6	64.1	179.6	57.6	0	0	0	0	110.8	F122 L125 L128 F146 I147 V151 L152	F122-T149 HydrophobicContact CB-CG2 4Å; L125-T149 HydrophobicContact CB-CG2 3.97Å; L128-T149 HydrophobicContact CB-CG2 4.09Å; L128-T149 HydrophobicContact CD2-CG2 3.78Å; F146-T149 CarbonylContact O-C 3.43Å; F146-T149 PolarHBondContact O-N 3.5Å; F146-T149 PolarHBondContact O-OG1 3.3Å; I147-T149 VanDerWaalsContact C-N 3.34Å; T149-V151 PolarHBondContact O-N 3.34Å; T149-L152 VanDerWaalsContact O-CB 3.28Å; T149-L152 WeakPolarHBondContact O-CB 3.33Å; T149-L152 PolarHBondContact O-N 3Å
150	P	92.7	Very high	92.6	Very high	99 Å²	99	42.8 Å²	42.8	64%	0.643	23%	0.225	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.8	-14.7	-169.8	28.9	-37.4	0	0	0	114.9	Y148	Y148-P150 VanDerWaalsContact C-CD 3.46Å; Y148-P150 WeakPolarHBondContact O-CD 3.41Å
151	V	94.1	Very high	92.6	Very high	61 Å²	61	42.3 Å²	42.3	37%	0.37	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	17	179.1	-60.7	0	0	0	0	112.6	N126 L128 T129 T149 N153	N126-V151 WeakPolarHBondContact O-CG2 3.36Å; L128-V151 CarbonylContact O-C 3.37Å; T129-V151 WeakPolarHBondContact CA-O 3.37Å; T129-V151 HydrophobicContact CG2-CG2 4.27Å; T149-V151 PolarHBondContact O-N 3.34Å; V151-N153 PolarHBondContact O-N 3.13Å; V151-N153 VanDerWaalsContact O-N 3.11Å; V151-N153 PolarHBondContact O-OD1 3.15Å
152	L	93.7	Very high	92.7	Very high	13 Å²	13	42 Å²	42	7%	0.068	22%	0.219	C	C	.	.			trans	-67.7	109.4	-178.9	-173	69.9	0	0	0	110	L128 L131 F146 T149 L155 L183	L128-L152 WeakPolarHBondContact O-CA 3.34Å; L128-L152 PolarHBondContact O-N 2.87Å; L131-L152 HydrophobicContact CB-CD1 3.76Å; F146-L152 HydrophobicContact CD1-CD2 3.74Å; F146-L152 HydrophobicContact CE1-CD2 4.15Å; T149-L152 VanDerWaalsContact O-CB 3.28Å; T149-L152 WeakPolarHBondContact O-CB 3.33Å; T149-L152 PolarHBondContact O-N 3Å; L152-L155 HydrophobicContact CD2-CB 4.13Å; L152-L155 HydrophobicContact CD2-CD1 4.46Å; L152-L155 HydrophobicContact CD2-CD2 4.25Å; L152-L183 HydrophobicContact CG-CD2 4.43Å
153	N	87.8	Confident	92.8	Very high	108 Å²	108	43 Å²	43	58%	0.578	22%	0.22	S	C	*	.			trans	-106.3	-12.2	-177.2	-68.2	-23.8	0	0	0	112.5	T129 V151 N182	T129-N153 PolarHBondContact O-N 2.95Å; V151-N153 PolarHBondContact O-N 3.13Å; V151-N153 VanDerWaalsContact O-N 3.11Å; V151-N153 PolarHBondContact O-OD1 3.15Å; N153-N182 VanDerWaalsContact O-CB 3.22Å; N153-N182 WeakPolarHBondContact O-CB 3.48Å
154	Y	87.5	Confident	92.8	Very high	38 Å²	38	39.3 Å²	39.3	15%	0.149	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	114.9	-176.5	-165.2	-88.7	0	0	0	111.4	T129 T130 L131 L132 R156 N182 V241 D264	T129-Y154 PolarHBondContact O-N 3.11Å; T130-Y154 WeakPolarHBondContact CA-O 3.48Å; T130-Y154 HydrophobicContact CG2-CD1 3.69Å; T130-Y154 HydrophobicContact CG2-CE1 4.46Å; T130-Y154 HydrophobicContact CG2-CG 4.3Å; L131-Y154 PolarHBondContact N-O 3.29Å; L132-Y154 HydrophobicContact CD2-CD1 4.01Å; L132-Y154 HydrophobicContact CD2-CE1 3.84Å; Y154-R156 HydrophobicContact CD1-CG 4.41Å; Y154-R156 HydrophobicContact CE1-CG 3.76Å; Y154-R156 PolarHBondContact OH-NE 2.69Å; Y154-R156 PolarHBondContact OH-NH2 3.21Å; Y154-N182 HydrophobicContact CD2-CB 4.31Å; Y154-V241 HydrophobicContact CE1-CG1 4.16Å; Y154-V241 HydrophobicContact CE1-CG2 4.44Å; Y154-D264 WeakPolarHBondContact CE2-OD2 2.86Å; Y154-D264 PolarHBondContact OH-OD2 3.24Å
155	L	91.9	Very high	92.8	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	122.4	-177.4	174.1	62	0	0	0	109.5	L131 L133 F146 L152 L157 L183 G184	L131-L155 HydrophobicContact CB-CD1 4.03Å; L131-L155 HydrophobicContact CD2-CD1 4.07Å; L131-L155 HydrophobicContact CG-CD1 4Å; L131-L155 WeakPolarHBondContact O-CA 2.89Å; L133-L155 HydrophobicContact CD1-CD1 4.41Å; F146-L155 HydrophobicContact CE1-CD1 4.03Å; F146-L155 HydrophobicContact CE1-CD2 3.81Å; F146-L155 HydrophobicContact CE2-CD2 4.23Å; F146-L155 HydrophobicContact CZ-CD1 4.28Å; F146-L155 HydrophobicContact CZ-CD2 3.62Å; L152-L155 HydrophobicContact CD2-CB 4.13Å; L152-L155 HydrophobicContact CD2-CD1 4.46Å; L152-L155 HydrophobicContact CD2-CD2 4.25Å; L155-L157 HydrophobicContact CD1-CD2 3.97Å; L155-L157 HydrophobicContact CD1-CG 4.2Å; L155-L157 HydrophobicContact CD2-CD1 3.93Å; L155-L157 HydrophobicContact CD2-CD2 4.45Å; L155-L157 HydrophobicContact CD2-CG 4.18Å; L155-L157 HydrophobicContact CG-CD1 4.19Å; L155-L157 HydrophobicContact CG-CD2 4.2Å; L155-L157 HydrophobicContact CG-CG 3.9Å; L155-L183 HydrophobicContact CB-CB 4.02Å; L155-L183 HydrophobicContact CB-CD2 3.62Å; L155-L183 HydrophobicContact CB-CG 4.31Å; L155-L183 HydrophobicContact CD2-CB 4.47Å; L155-L183 CarbonylContact O-C 3.48Å; L155-G184 PolarHBondContact O-N 3.31Å
156	R	88.4	Confident	92.7	Very high	12 Å²	12	39.5 Å²	39.5	5%	0.045	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.2	175.7	-76.1	-176.6	174.6	-129.4	10.2	111	L131 L132 L133 Q134 Y154 Y158 M239 D264	L131-R156 PolarHBondContact O-N 2.98Å; L131-R156 VanDerWaalsContact O-N 3.12Å; L132-R156 HydrophobicContact CD2-CB 4.17Å; L132-R156 HydrophobicContact CD2-CG 4.22Å; L133-R156 CarbonylContact C-O 3.58Å; L133-R156 WeakPolarHBondContact CA-O 3.4Å; L133-R156 PolarHBondContact N-O 2.79Å; Q134-R156 HydrophobicContact CB-CB 4.46Å; Q134-R156 PolarHBondContact N-O 3.12Å; Y154-R156 HydrophobicContact CD1-CG 4.41Å; Y154-R156 HydrophobicContact CE1-CG 3.76Å; Y154-R156 PolarHBondContact OH-NE 2.69Å; Y154-R156 PolarHBondContact OH-NH2 3.21Å; R156-Y158 HydrophobicContact CB-CD1 4.41Å; R156-Y158 HydrophobicContact CB-CE1 4.17Å; R156-Y158 HydrophobicContact CG-CE1 4.17Å; R156-Y158 PolarHBondContact NH1-OH 3.11Å; R156-M239 VanDerWaalsContact NE-CE 3.31Å; R156-M239 PolarHBondContact NH1-SD 3.1Å; R156-M239 PolarHBondContact NH2-SD 2.74Å; R156-D264 IonicContact NH2-OD1 3.82Å; R156-D264 PolarHBondContact NH2-OD1 3.35Å; R156-D264 IonicContact NH2-OD2 3.21Å; R156-D264 PolarHBondContact NH2-OD2 2.88Å; R156-D264 VanDerWaalsContact NH2-OD2 3.1Å
157	L	93.1	Very high	92.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	24%	0.235	C	C	.	.			trans	-127.5	-6.3	-172.9	-69.3	177.8	0	0	0	113.8	L133 L155 N160 W162 L171 L175 A187	L133-L157 HydrophobicContact CB-CD2 4.11Å; L133-L157 HydrophobicContact CD1-CD2 4.14Å; L155-L157 HydrophobicContact CD1-CD2 3.97Å; L155-L157 HydrophobicContact CD1-CG 4.2Å; L155-L157 HydrophobicContact CD2-CD1 3.93Å; L155-L157 HydrophobicContact CD2-CD2 4.45Å; L155-L157 HydrophobicContact CD2-CG 4.18Å; L155-L157 HydrophobicContact CG-CD1 4.19Å; L155-L157 HydrophobicContact CG-CD2 4.2Å; L155-L157 HydrophobicContact CG-CG 3.9Å; L157-N160 PolarHBondContact O-ND2 2.92Å; L157-N160 VanDerWaalsContact O-ND2 3.12Å; L157-W162 HydrophobicContact CB-CZ2 3.7Å; L157-W162 HydrophobicContact CD1-CZ2 4.33Å; L157-W162 HydrophobicContact CD2-CH2 4.04Å; L157-W162 HydrophobicContact CD2-CZ2 3.82Å; L157-W162 HydrophobicContact CG-CZ2 4.14Å; L157-W162 WeakPolarHBondContact O-CZ2 3.37Å; L157-W162 PolarHBondContact O-NE1 2.8Å; L157-L171 HydrophobicContact CD1-CD1 4.42Å; L157-L171 HydrophobicContact CD1-CD2 4.15Å; L157-L175 HydrophobicContact CD1-CD1 4.31Å; L157-A187 HydrophobicContact CB-CB 3.94Å
158	Y	88.3	Confident	92.7	Very high	25 Å²	25	38.6 Å²	38.6	10%	0.098	21%	0.209	C	C	.	.			trans	-63.1	163.6	-176.1	67.1	-91.4	0	0	0	112.8	Q134 H135 R156 N160	Q134-Y158 WeakPolarHBondContact CA-O 3.47Å; Q134-Y158 HydrophobicContact CB-CD1 3.97Å; Q134-Y158 HydrophobicContact CB-CD2 4.08Å; Q134-Y158 HydrophobicContact CB-CE1 3.8Å; Q134-Y158 HydrophobicContact CB-CE2 3.91Å; Q134-Y158 HydrophobicContact CB-CG 4.1Å; Q134-Y158 WeakPolarHBondContact CB-O 3.23Å; Q134-Y158 HydrophobicContact CG-CE1 3.97Å; Q134-Y158 HydrophobicContact CG-CE2 4.05Å; H135-Y158 AromaticContact CE1-CE2 3.88Å; H135-Y158 PolarHBondContact N-O 2.77Å; H135-Y158 VanDerWaalsContact N-O 3.17Å; H135-Y158 AromaticContact NE2-CE2 3.52Å; R156-Y158 HydrophobicContact CB-CD1 4.41Å; R156-Y158 HydrophobicContact CB-CE1 4.17Å; R156-Y158 HydrophobicContact CG-CE1 4.17Å; R156-Y158 PolarHBondContact NH1-OH 3.11Å; Y158-N160 PolarHBondContact O-N 2.72Å; Y158-N160 PolarHBondContact O-ND2 3.16Å
159	D	89.1	Confident	92.7	Very high	72 Å²	72	39.6 Å²	39.6	39%	0.385	22%	0.216	S	C	.	.	S	Bend	trans	52.4	43.4	-176.7	-60.8	-14	0	0	0	113.4	H135 N136	H135-D159 WeakPolarHBondContact CA-O 3.38Å; H135-D159 IonicContact CE1-OD2 2.77Å; H135-D159 PolarHBondContact CE1-OD2 2.91Å; H135-D159 PolarHBondContact N-O 3.45Å; H135-D159 VanDerWaalsContact ND1-CB 3.28Å; H135-D159 WeakPolarHBondContact ND1-CB 3.28Å; H135-D159 IonicContact ND1-OD2 2.69Å; H135-D159 PolarHBondContact ND1-OD2 2.95Å; H135-D159 IonicContact NE2-OD2 3.74Å; N136-D159 PolarHBondContact N-O 3.24Å
160	N	95.5	Very high	92.6	Very high	6 Å²	6	41.6 Å²	41.6	3%	0.032	23%	0.228	C	C	.	.	S	Bend	trans	-115.2	150.4	161	-82	-85.4	0	0	0	108.3	L133 N136 Q137 I138 L157 Y158 W162	L133-N160 PolarHBondContact O-ND2 2.81Å; N136-N160 VanDerWaalsContact CA-OD1 3.24Å; N136-N160 WeakPolarHBondContact CA-OD1 3.16Å; N136-N160 WeakPolarHBondContact CB-OD1 3.25Å; N136-N160 PolarHBondContact N-OD1 3.25Å; N136-N160 PolarHBondContact O-OD1 3.17Å; Q137-N160 PolarHBondContact N-OD1 2.89Å; I138-N160 HydrophobicContact CB-CB 4.29Å; I138-N160 WeakPolarHBondContact CB-OD1 3.14Å; I138-N160 WeakPolarHBondContact CG1-OD1 3.45Å; I138-N160 PolarHBondContact N-OD1 3.04Å; L157-N160 PolarHBondContact O-ND2 2.92Å; L157-N160 VanDerWaalsContact O-ND2 3.12Å; Y158-N160 PolarHBondContact O-N 2.72Å; Y158-N160 PolarHBondContact O-ND2 3.16Å; N160-W162 HydrophobicContact CB-CD2 4.23Å; N160-W162 HydrophobicContact CB-CG 4.44Å; N160-W162 HydrophobicContact CB-CZ2 3.81Å; N160-W162 VanDerWaalsContact O-CD1 3.3Å; N160-W162 PolarHBondContact O-N 2.85Å
161	P	96.1	Very high	92.8	Very high	30 Å²	30	36.9 Å²	36.9	20%	0.195	20%	0.197	C	C	.	.			trans	-75.2	64.7	179.3	33.4	-37.5	0	0	0	111.5	I138 K139 H163	I138-P161 CarbonylContact O-C 3.5Å; I138-P161 VanDerWaalsContact O-CD 3.31Å; I138-P161 WeakPolarHBondContact O-CD 3.21Å; K139-P161 WeakPolarHBondContact CA-O 3.29Å; K139-P161 HydrophobicContact CG-CG 4.22Å; P161-H163 PolarHBondContact O-CD2 3.48Å; P161-H163 PolarHBondContact O-N 2.7Å
162	W	96.9	Very high	92.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	124	-176.3	-64.1	109.3	0	0	0	111.9	I138 K139 L141 L157 N160 L168 L171 V190 H191 L200	I138-W162 HydrophobicContact CB-CH2 4Å; I138-W162 HydrophobicContact CB-CZ2 4.47Å; I138-W162 HydrophobicContact CB-CZ3 4.27Å; I138-W162 HydrophobicContact CG2-CE3 4.42Å; I138-W162 HydrophobicContact CG2-CH2 3.53Å; I138-W162 HydrophobicContact CG2-CZ2 4.45Å; I138-W162 HydrophobicContact CG2-CZ3 3.53Å; K139-W162 CarbonylContact O-C 3.16Å; K139-W162 WeakPolarHBondContact O-CA 3.49Å; L141-W162 HydrophobicContact CB-CH2 4.14Å; L141-W162 HydrophobicContact CB-CZ3 3.84Å; L141-W162 HydrophobicContact CD2-CH2 4.41Å; L157-W162 HydrophobicContact CB-CZ2 3.7Å; L157-W162 HydrophobicContact CD1-CZ2 4.33Å; L157-W162 HydrophobicContact CD2-CH2 4.04Å; L157-W162 HydrophobicContact CD2-CZ2 3.82Å; L157-W162 HydrophobicContact CG-CZ2 4.14Å; L157-W162 WeakPolarHBondContact O-CZ2 3.37Å; L157-W162 PolarHBondContact O-NE1 2.8Å; N160-W162 HydrophobicContact CB-CD2 4.23Å; N160-W162 HydrophobicContact CB-CG 4.44Å; N160-W162 HydrophobicContact CB-CZ2 3.81Å; N160-W162 VanDerWaalsContact O-CD1 3.3Å; N160-W162 PolarHBondContact O-N 2.85Å; W162-L168 HydrophobicContact CE3-CD1 3.73Å; W162-L168 HydrophobicContact CZ3-CD1 3.96Å; W162-L171 HydrophobicContact CH2-CD2 4.46Å; W162-L171 HydrophobicContact CZ3-CD2 4.28Å; W162-V190 PolarHBondContact O-N 3.21Å; W162-H191 PolarHBondContact O-N 3.44Å; W162-H191 VanDerWaalsContact O-N 3.16Å; W162-L200 HydrophobicContact CB-CD2 4.38Å; W162-L200 HydrophobicContact CD2-CD1 4.1Å; W162-L200 HydrophobicContact CG-CD1 4.08Å
163	H	96	Very high	92.8	Very high	58 Å²	58	35.8 Å²	35.8	27%	0.269	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	103.6	170.1	-73.6	-148.2	0	0	0	107.4	K139 P161 N165 H191	K139-H163 PolarHBondContact O-N 3.35Å; P161-H163 PolarHBondContact O-CD2 3.48Å; P161-H163 PolarHBondContact O-N 2.7Å; H163-N165 VanDerWaalsContact C-N 3.33Å; H163-N165 PolarHBondContact O-N 3.39Å; H163-N165 VanDerWaalsContact O-N 3.09Å; H163-N165 PolarHBondContact O-OD1 3.42Å; H163-H191 CarbonylContact C-O 3.53Å; H163-H191 WeakPolarHBondContact CA-O 3.3Å; H163-H191 AromaticContact NE2-CD2 3.66Å
164	C	95.3	Very high	93	Very high	3 Å²	3	31.5 Å²	31.5	2%	0.02	17%	0.168	C	C	.	.			trans	-86.2	77.2	-176.4	-64.2	0	0	0	0	110.1	L168 C189 H191 P192 L195 L200 L208	C164-L168 HydrophobicContact CB-CD2 4.28Å; C164-L168 VanDerWaalsContact SG-CD2 3.58Å; C164-C189 HydrophobicContact CB-CB 3.85Å; C164-C189 WeakPolarHBondContact CB-SG 3.13Å; C164-C189 VanDerWaalsContact SG-CA 3.58Å; C164-C189 WeakPolarHBondContact SG-CB 3.44Å; C164-C189 CovalentContact SG-SG 2Å; C164-C189 PolarHBondContact SG-SG 3.12Å; C164-H191 WeakPolarHBondContact CB-O 3.33Å; C164-H191 PolarHBondContact N-O 3.24Å; C164-P192 WeakPolarHBondContact O-CD 3.32Å; C164-L195 HydrophobicContact CB-CD1 3.97Å; C164-L200 WeakPolarHBondContact SG-CD2 3.31Å; C164-L208 HydrophobicContact CB-CD2 3.61Å
165	N	93.2	Very high	93.3	Very high	60 Å²	60	29.8 Å²	29.8	32%	0.321	16%	0.162	S	C	.	.	S	Bend	trans	-119.3	-171.4	173.1	67.2	-3.6	0	0	0	109.4	H163 D167 L168 L208	H163-N165 VanDerWaalsContact C-N 3.33Å; H163-N165 PolarHBondContact O-N 3.39Å; H163-N165 VanDerWaalsContact O-N 3.09Å; H163-N165 PolarHBondContact O-OD1 3.42Å; N165-D167 PolarHBondContact ND2-OD2 3.43Å; N165-D167 PolarHBondContact O-N 2.92Å; N165-D167 VanDerWaalsContact O-N 3.14Å; N165-D167 WeakPolarHBondContact OD1-CB 3.39Å; N165-D167 PolarHBondContact OD1-N 2.88Å; N165-D167 VanDerWaalsContact OD1-N 3.11Å; N165-D167 PolarHBondContact OD1-OD2 2.85Å; N165-L168 WeakPolarHBondContact O-CB 3.41Å; N165-L168 PolarHBondContact O-N 2.9Å; N165-L208 CarbonylContact C-O 3.56Å
166	C	92.1	Very high	93.3	Very high	63 Å²	63	33.7 Å²	33.7	43%	0.426	18%	0.18	S	C	.	.	G	3₁₀ helix	trans	-54.3	-30.8	177.4	-76.7	0	0	0	0	115.8	L168 E169 L208 C209	C166-L168 PolarHBondContact O-N 3.12Å; C166-L168 VanDerWaalsContact O-N 3.12Å; C166-E169 VanDerWaalsContact O-CB 3.27Å; C166-E169 WeakPolarHBondContact O-CB 3.3Å; C166-E169 PolarHBondContact O-N 3.44Å; C166-E169 VanDerWaalsContact O-N 3.12Å; C166-L208 PolarHBondContact N-O 2.71Å; C166-L208 VanDerWaalsContact N-O 3.16Å; C166-C209 WeakPolarHBondContact CA-SG 3.38Å; C166-C209 HydrophobicContact CB-CB 4.42Å; C166-C209 WeakPolarHBondContact CB-SG 3.03Å; C166-C209 WeakPolarHBondContact SG-CA 3.29Å; C166-C209 WeakPolarHBondContact SG-CB 3.47Å; C166-C209 CovalentContact SG-SG 2.04Å; C166-C209 PolarHBondContact SG-SG 3.33Å
167	D	92.6	Very high	93.4	Very high	104 Å²	104	37 Å²	37	56%	0.556	20%	0.198	S	C	*	.	G	3₁₀ helix	trans	-64.9	-20.3	-179.7	-56	-45.9	0	0	0	112.3	S140 N165	S140-D167 WeakPolarHBondContact OG-CB 3.28Å; S140-D167 PolarHBondContact OG-O 3.44Å; N165-D167 PolarHBondContact ND2-OD2 3.43Å; N165-D167 PolarHBondContact O-N 2.92Å; N165-D167 VanDerWaalsContact O-N 3.14Å; N165-D167 WeakPolarHBondContact OD1-CB 3.39Å; N165-D167 PolarHBondContact OD1-N 2.88Å; N165-D167 VanDerWaalsContact OD1-N 3.11Å; N165-D167 PolarHBondContact OD1-OD2 2.85Å
168	L	94.7	Very high	92.9	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	23%	0.228	C	C	.	.	G	3₁₀ helix	trans	-94.6	-5.1	-179.3	-153.6	69.8	0	0	0	113.1	W162 C164 N165 C166 T170 L171 V172 L200	W162-L168 HydrophobicContact CE3-CD1 3.73Å; W162-L168 HydrophobicContact CZ3-CD1 3.96Å; C164-L168 HydrophobicContact CB-CD2 4.28Å; C164-L168 VanDerWaalsContact SG-CD2 3.58Å; N165-L168 WeakPolarHBondContact O-CB 3.41Å; N165-L168 PolarHBondContact O-N 2.9Å; C166-L168 PolarHBondContact O-N 3.12Å; C166-L168 VanDerWaalsContact O-N 3.12Å; L168-T170 PolarHBondContact O-N 3.23Å; L168-L171 HydrophobicContact CD1-CB 4.42Å; L168-L171 HydrophobicContact CD1-CD2 3.79Å; L168-L171 PolarHBondContact O-N 3.08Å; L168-V172 HydrophobicContact CD2-CG2 4.19Å; L168-V172 HydrophobicContact CG-CG2 4.14Å; L168-V172 PolarHBondContact O-N 3.13Å; L168-L200 HydrophobicContact CD2-CD1 4.31Å; L168-L200 HydrophobicContact CD2-CD2 3.72Å
169	E	93.2	Very high	92.6	Very high	77 Å²	77	44.6 Å²	44.6	36%	0.36	26%	0.257	S	S	.	.	H	α-helix	trans	-54.4	-54.2	-172.9	-175.5	-171.9	179.9	0	0	111.8	C166 L171 V172 T173 A205	C166-E169 VanDerWaalsContact O-CB 3.27Å; C166-E169 WeakPolarHBondContact O-CB 3.3Å; C166-E169 PolarHBondContact O-N 3.44Å; C166-E169 VanDerWaalsContact O-N 3.12Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.12Å; E169-V172 PolarHBondContact O-N 3.28Å; E169-V172 VanDerWaalsContact O-N 3.14Å; E169-T173 WeakPolarHBondContact O-CG2 2.96Å; E169-T173 PolarHBondContact O-N 3.02Å; E169-T173 PolarHBondContact O-OG1 2.92Å; E169-A205 HydrophobicContact CG-CB 4.12Å
170	T	93.5	Very high	92.5	Very high	44 Å²	44	42.8 Å²	42.8	27%	0.27	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-35.3	-177	62	0	0	0	0	112.4	S142 E143 L168 T173 M174	S142-T170 PolarHBondContact OG-OG1 3.43Å; S142-T170 VanDerWaalsContact OG-OG1 3.12Å; E143-T170 PolarHBondContact N-OG1 2.85Å; E143-T170 VanDerWaalsContact N-OG1 3.12Å; L168-T170 PolarHBondContact O-N 3.23Å; T170-T173 WeakPolarHBondContact CA-OG1 3.39Å; T170-T173 PolarHBondContact O-OG1 3.07Å; T170-M174 VanDerWaalsContact O-CB 3.3Å; T170-M174 WeakPolarHBondContact O-CB 3.12Å; T170-M174 PolarHBondContact O-N 3.04Å
171	L	95.4	Very high	91.6	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-66.9	-45.8	174.4	177.7	61.4	0	0	0	111.2	L141 F146 L157 W162 L168 E169 T173 M174 L175	L141-L171 HydrophobicContact CB-CD2 4.03Å; L141-L171 HydrophobicContact CD2-CD2 4.46Å; L141-L171 WeakPolarHBondContact O-CB 3.5Å; L141-L171 WeakPolarHBondContact O-CD2 3.47Å; F146-L171 HydrophobicContact CD2-CD1 4.44Å; F146-L171 HydrophobicContact CE2-CD1 3.76Å; L157-L171 HydrophobicContact CD1-CD1 4.42Å; L157-L171 HydrophobicContact CD1-CD2 4.15Å; W162-L171 HydrophobicContact CH2-CD2 4.46Å; W162-L171 HydrophobicContact CZ3-CD2 4.28Å; L168-L171 HydrophobicContact CD1-CB 4.42Å; L168-L171 HydrophobicContact CD1-CD2 3.79Å; L168-L171 PolarHBondContact O-N 3.08Å; E169-L171 VanDerWaalsContact C-N 3.29Å; E169-L171 PolarHBondContact O-N 3.12Å; L171-T173 PolarHBondContact O-N 3.47Å; L171-M174 HydrophobicContact CD1-CE 3.71Å; L171-M174 PolarHBondContact O-N 3.03Å; L171-L175 HydrophobicContact CD1-CD1 4.31Å; L171-L175 HydrophobicContact CD1-CD2 4.43Å; L171-L175 HydrophobicContact CD1-CG 4.1Å; L171-L175 HydrophobicContact CG-CD1 4.12Å; L171-L175 HydrophobicContact CG-CG 4.32Å; L171-L175 VanDerWaalsContact O-CG 3.22Å; L171-L175 WeakPolarHBondContact O-CG 3.37Å; L171-L175 PolarHBondContact O-N 2.85Å
172	V	94.8	Very high	90.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-62.2	-44.6	-179	166.2	0	0	0	0	111.1	L168 E169 M174 L175 Q176 L200 I203 L208	L168-V172 HydrophobicContact CD2-CG2 4.19Å; L168-V172 HydrophobicContact CG-CG2 4.14Å; L168-V172 PolarHBondContact O-N 3.13Å; E169-V172 PolarHBondContact O-N 3.28Å; E169-V172 VanDerWaalsContact O-N 3.14Å; V172-M174 PolarHBondContact O-N 2.93Å; V172-L175 PolarHBondContact O-N 3.15Å; V172-Q176 WeakPolarHBondContact O-CG 3.27Å; V172-Q176 PolarHBondContact O-N 2.69Å; V172-Q176 VanDerWaalsContact O-N 3.11Å; V172-L200 WeakPolarHBondContact CG1-O 3.28Å; V172-L200 HydrophobicContact CG2-CB 4.35Å; V172-I203 WeakPolarHBondContact CG1-O 3.48Å; V172-L208 HydrophobicContact CB-CD1 3.8Å; V172-L208 HydrophobicContact CG1-CD1 4.07Å; V172-L208 HydrophobicContact CG2-CD1 3.78Å
173	T	92.6	Very high	90.3	Very high	52 Å²	52	54.7 Å²	54.7	32%	0.319	30%	0.295	S	S	.	.	H	α-helix	trans	-63.9	-41.4	177	56	0	0	0	0	111.5	E169 T170 L171 L175 Q176 I177 A205	E169-T173 WeakPolarHBondContact O-CG2 2.96Å; E169-T173 PolarHBondContact O-N 3.02Å; E169-T173 PolarHBondContact O-OG1 2.92Å; T170-T173 WeakPolarHBondContact CA-OG1 3.39Å; T170-T173 PolarHBondContact O-OG1 3.07Å; L171-T173 PolarHBondContact O-N 3.47Å; T173-L175 PolarHBondContact O-N 3.26Å; T173-Q176 PolarHBondContact O-N 3.05Å; T173-Q176 VanDerWaalsContact O-N 3.17Å; T173-I177 PolarHBondContact O-N 2.94Å; T173-A205 HydrophobicContact CG2-CB 3.99Å
174	M	93.9	Very high	89.7	Confident	18 Å²	18	52 Å²	52	9%	0.089	28%	0.283	C	S	.	.	H	α-helix	trans	-59	-43.8	172.8	-178.9	-86.8	-88.8	0	0	112.2	E143 F146 T170 L171 V172 Q176 I177 N180 L183	E143-M174 HydrophobicContact CB-CB 4.19Å; F146-M174 HydrophobicContact CB-CE 4.46Å; F146-M174 HydrophobicContact CD2-CE 3.47Å; F146-M174 VanDerWaalsContact CD2-CE 3.47Å; F146-M174 HydrophobicContact CE2-CE 3.89Å; F146-M174 HydrophobicContact CG-CE 4.07Å; T170-M174 VanDerWaalsContact O-CB 3.3Å; T170-M174 WeakPolarHBondContact O-CB 3.12Å; T170-M174 PolarHBondContact O-N 3.04Å; L171-M174 HydrophobicContact CD1-CE 3.71Å; L171-M174 PolarHBondContact O-N 3.03Å; V172-M174 PolarHBondContact O-N 2.93Å; M174-Q176 PolarHBondContact O-N 2.97Å; M174-I177 WeakPolarHBondContact O-CG1 3.5Å; M174-I177 PolarHBondContact O-N 3.12Å; M174-N180 PolarHBondContact O-ND2 3.19Å; M174-L183 HydrophobicContact CE-CD1 4.49Å; M174-L183 HydrophobicContact SD-CD1 3.74Å
175	L	92.8	Very high	89.1	Confident	2 Å²	2	54.3 Å²	54.3	1%	0.01	30%	0.295	C	S	.	.	H	α-helix	trans	-66	-24.9	178.8	-68.2	178.6	0	0	0	112.9	L157 L171 V172 T173 L183 L200 K201	L157-L175 HydrophobicContact CD1-CD1 4.31Å; L171-L175 HydrophobicContact CD1-CD1 4.31Å; L171-L175 HydrophobicContact CD1-CD2 4.43Å; L171-L175 HydrophobicContact CD1-CG 4.1Å; L171-L175 HydrophobicContact CG-CD1 4.12Å; L171-L175 HydrophobicContact CG-CG 4.32Å; L171-L175 VanDerWaalsContact O-CG 3.22Å; L171-L175 WeakPolarHBondContact O-CG 3.37Å; L171-L175 PolarHBondContact O-N 2.85Å; V172-L175 PolarHBondContact O-N 3.15Å; T173-L175 PolarHBondContact O-N 3.26Å; L175-L183 HydrophobicContact CD2-CB 3.56Å; L175-L200 HydrophobicContact CD1-CB 4.22Å; L175-L200 HydrophobicContact CD1-CD1 4.39Å; L175-K201 HydrophobicContact CB-CG 4.05Å; L175-K201 WeakPolarHBondContact O-CE 3.18Å
176	Q	92.4	Very high	88.8	Confident	81 Å²	81	56.6 Å²	56.6	38%	0.379	30%	0.3	S	S	.	.	H	α-helix	trans	-81.9	-14.2	-179.9	-75.4	172.6	-15.1	0	0	114.1	V172 T173 M174 K201 I203	V172-Q176 WeakPolarHBondContact O-CG 3.27Å; V172-Q176 PolarHBondContact O-N 2.69Å; V172-Q176 VanDerWaalsContact O-N 3.11Å; T173-Q176 PolarHBondContact O-N 3.05Å; T173-Q176 VanDerWaalsContact O-N 3.17Å; M174-Q176 PolarHBondContact O-N 2.97Å; Q176-K201 WeakPolarHBondContact CG-O 3.2Å; Q176-K201 PolarHBondContact NE2-O 3.46Å; Q176-I203 PolarHBondContact NE2-O 3.29Å
177	I	88.9	Confident	88.8	Confident	83 Å²	83	53.6 Å²	53.6	43%	0.426	28%	0.28	S	S	.	.	S	Bend	trans	-58.4	129.2	178.3	-62	173.3	0	0	0	109.4	T173 M174 A179 N180	T173-I177 PolarHBondContact O-N 2.94Å; M174-I177 WeakPolarHBondContact O-CG1 3.5Å; M174-I177 PolarHBondContact O-N 3.12Å; I177-A179 HydrophobicContact CG2-CB 4.13Å; I177-A179 PolarHBondContact O-N 3.12Å; I177-N180 HydrophobicContact CB-CB 4.39Å; I177-N180 WeakPolarHBondContact O-CA 3.5Å; I177-N180 WeakPolarHBondContact O-CB 3.49Å; I177-N180 PolarHBondContact O-N 3.02Å
178	P	84.6	Confident	88.9	Confident	97 Å²	97	52.8 Å²	52.8	63%	0.63	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-20.4	-176.7	-28.8	35.6	0	0	0	115.8	N180 R181	P178-N180 VanDerWaalsContact C-N 3.33Å; P178-R181 WeakPolarHBondContact O-CG 3.27Å; P178-R181 PolarHBondContact O-NE 3.1Å
179	A	81.1	Confident	88.9	Confident	87 Å²	87	52.8 Å²	52.8	72%	0.719	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.1	-24.7	172	0	0	0	0	0	112.7	I177 R181	I177-A179 HydrophobicContact CG2-CB 4.13Å; I177-A179 PolarHBondContact O-N 3.12Å; A179-R181 VanDerWaalsContact C-N 3.32Å; A179-R181 PolarHBondContact O-N 3.23Å
180	N	86.4	Confident	89	Confident	34 Å²	34	51.9 Å²	51.9	18%	0.182	27%	0.272	C	S	.	.			trans	-93.8	32.8	-173.9	-68.2	-14.5	0	0	0	113.1	M174 I177 P178 N182 L183 K201	M174-N180 PolarHBondContact O-ND2 3.19Å; I177-N180 HydrophobicContact CB-CB 4.39Å; I177-N180 WeakPolarHBondContact O-CA 3.5Å; I177-N180 WeakPolarHBondContact O-CB 3.49Å; I177-N180 PolarHBondContact O-N 3.02Å; P178-N180 VanDerWaalsContact C-N 3.33Å; N180-N182 PolarHBondContact O-N 3.1Å; N180-L183 HydrophobicContact CB-CB 4.27Å; N180-L183 HydrophobicContact CB-CD1 3.69Å; N180-L183 HydrophobicContact CB-CG 3.85Å; N180-L183 VanDerWaalsContact CG-CD1 3.49Å; N180-L183 PolarHBondContact O-N 3.09Å; N180-K201 PolarHBondContact O-NZ 3.4Å; N180-K201 VanDerWaalsContact O-NZ 3.13Å
181	R	77.8	Confident	88.9	Confident	188 Å²	188	53.8 Å²	53.8	71%	0.709	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-28.3	-174.7	-54.5	-168.8	178.2	-176.7	-5.1	113.6	P178 A179 N185 K201	P178-R181 WeakPolarHBondContact O-CG 3.27Å; P178-R181 PolarHBondContact O-NE 3.1Å; A179-R181 VanDerWaalsContact C-N 3.32Å; A179-R181 PolarHBondContact O-N 3.23Å; R181-N185 PolarHBondContact O-ND2 3.23Å; R181-N185 PolarHBondContact O-OD1 3.43Å; R181-K201 VanDerWaalsContact C-NZ 3.35Å; R181-K201 PolarHBondContact O-NZ 2.93Å
182	N	75.3	Confident	88.9	Confident	92 Å²	92	56.1 Å²	56.1	49%	0.492	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.7	1.2	-177	-64.7	-24.6	0	0	0	114	N153 Y154 N180	N153-N182 VanDerWaalsContact O-CB 3.22Å; N153-N182 WeakPolarHBondContact O-CB 3.48Å; Y154-N182 HydrophobicContact CD2-CB 4.31Å; N180-N182 PolarHBondContact O-N 3.1Å
183	L	89.3	Confident	88.6	Confident	5 Å²	5	62.1 Å²	62.1	3%	0.026	32%	0.323	C	S	.	.	B	Isolated β-bridge	trans	-91.4	139.8	179.3	-50.9	-168.3	0	0	0	111	L152 L155 M174 L175 N180 N185 K201	L152-L183 HydrophobicContact CG-CD2 4.43Å; L155-L183 HydrophobicContact CB-CB 4.02Å; L155-L183 HydrophobicContact CB-CD2 3.62Å; L155-L183 HydrophobicContact CB-CG 4.31Å; L155-L183 HydrophobicContact CD2-CB 4.47Å; L155-L183 CarbonylContact O-C 3.48Å; M174-L183 HydrophobicContact CE-CD1 4.49Å; M174-L183 HydrophobicContact SD-CD1 3.74Å; L175-L183 HydrophobicContact CD2-CB 3.56Å; N180-L183 HydrophobicContact CB-CB 4.27Å; N180-L183 HydrophobicContact CB-CD1 3.69Å; N180-L183 HydrophobicContact CB-CG 3.85Å; N180-L183 VanDerWaalsContact CG-CD1 3.49Å; N180-L183 PolarHBondContact O-N 3.09Å; L183-N185 PolarHBondContact O-N 3.5Å; L183-N185 VanDerWaalsContact O-N 3.09Å; L183-K201 WeakPolarHBondContact O-CE 3.5Å; L183-K201 PolarHBondContact O-NZ 2.75Å
184	G	84.4	Confident	88.5	Confident	1 Å²	1	66.6 Å²	66.6	1%	0.01	34%	0.34	C	S	.	.	S	Bend	trans	63.4	18.2	169.5	0	0	0	0	0	116	L155 Y186 A187	L155-G184 PolarHBondContact O-N 3.31Å; G184-Y186 PolarHBondContact O-N 3.32Å; G184-A187 WeakPolarHBondContact O-CB 3.36Å; G184-A187 PolarHBondContact O-N 3.31Å
185	N	83.2	Confident	88.5	Confident	52 Å²	52	66.5 Å²	66.5	28%	0.278	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.6	140	179.1	-71.3	-21.1	0	0	0	111	R181 L183 A187 K201	R181-N185 PolarHBondContact O-ND2 3.23Å; R181-N185 PolarHBondContact O-OD1 3.43Å; L183-N185 PolarHBondContact O-N 3.5Å; L183-N185 VanDerWaalsContact O-N 3.09Å; N185-A187 PolarHBondContact O-N 2.75Å; N185-A187 VanDerWaalsContact O-N 3.1Å; N185-K201 PolarHBondContact OD1-NZ 2.81Å
186	Y	86.9	Confident	88.5	Confident	108 Å²	108	70.4 Å²	70.4	42%	0.424	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.2	-0.5	-179.2	-46.6	-77.8	0	0	0	116.6	G184 K188 P263	G184-Y186 PolarHBondContact O-N 3.32Å; Y186-K188 PolarHBondContact O-N 2.71Å; Y186-P263 WeakPolarHBondContact OH-CD 3.25Å; Y186-P263 VanDerWaalsContact OH-CG 3.27Å; Y186-P263 WeakPolarHBondContact OH-CG 3.22Å
187	A	91.6	Very high	88.3	Confident	1 Å²	1	71.7 Å²	71.7	1%	0.008	37%	0.366	C	S	.	.			trans	-65.4	132.5	173.5	0	0	0	0	0	110.3	L157 G184 N185 K199 L200	L157-A187 HydrophobicContact CB-CB 3.94Å; G184-A187 WeakPolarHBondContact O-CB 3.36Å; G184-A187 PolarHBondContact O-N 3.31Å; N185-A187 PolarHBondContact O-N 2.75Å; N185-A187 VanDerWaalsContact O-N 3.1Å; A187-K199 CarbonylContact O-C 3.32Å; A187-K199 VanDerWaalsContact O-CA 3.27Å; A187-K199 WeakPolarHBondContact O-CA 3.28Å; A187-L200 HydrophobicContact CB-CB 4.39Å; A187-L200 HydrophobicContact CB-CD1 3.6Å; A187-L200 HydrophobicContact CB-CG 3.81Å; A187-L200 PolarHBondContact O-N 2.98Å
188	K	93.8	Very high	88.5	Confident	86 Å²	86	71.2 Å²	71.2	37%	0.374	36%	0.362	S	S	.	.	B	Isolated β-bridge	trans	-129.9	149.4	-176	-66.6	172	-175.6	176.2	0	110.9	Y186 Q198 K199	Y186-K188 PolarHBondContact O-N 2.71Å; K188-Q198 CarbonylContact C-O 3.46Å; K188-Q198 WeakPolarHBondContact CA-O 3.28Å; K188-K199 HydrophobicContact CG-CG 4.35Å
189	C	95.6	Very high	88.9	Confident	1 Å²	1	70.5 Å²	70.5	1%	0.007	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	144.7	172	-56.2	0	0	0	0	111.7	C164 L195 K196 N197 Q198 I203	C164-C189 HydrophobicContact CB-CB 3.85Å; C164-C189 WeakPolarHBondContact CB-SG 3.13Å; C164-C189 VanDerWaalsContact SG-CA 3.58Å; C164-C189 WeakPolarHBondContact SG-CB 3.44Å; C164-C189 CovalentContact SG-SG 2Å; C164-C189 PolarHBondContact SG-SG 3.12Å; C189-L195 HydrophobicContact CB-CB 4.18Å; C189-L195 VanDerWaalsContact CB-O 3.28Å; C189-L195 WeakPolarHBondContact CB-O 3.37Å; C189-K196 WeakPolarHBondContact O-CA 2.83Å; C189-N197 PolarHBondContact O-N 3.47Å; C189-Q198 PolarHBondContact N-O 3.17Å; C189-I203 WeakPolarHBondContact SG-CD1 3.5Å
190	V	95.2	Very high	89.5	Confident	58 Å²	58	66.3 Å²	66.3	35%	0.352	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	-39	167	176.7	0	0	0	0	110.5	W162	W162-V190 PolarHBondContact O-N 3.21Å
191	H	91.5	Very high	89.7	Confident	84 Å²	84	67 Å²	67	39%	0.389	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	154.8	174	-75.8	-68.8	0	0	0	110.5	W162 H163 C164	W162-H191 PolarHBondContact O-N 3.44Å; W162-H191 VanDerWaalsContact O-N 3.16Å; H163-H191 CarbonylContact C-O 3.53Å; H163-H191 WeakPolarHBondContact CA-O 3.3Å; H163-H191 AromaticContact NE2-CD2 3.66Å; C164-H191 WeakPolarHBondContact CB-O 3.33Å; C164-H191 PolarHBondContact N-O 3.24Å
192	P	93.9	Very high	90.4	Very high	48 Å²	48	64.4 Å²	64.4	31%	0.312	31%	0.312	S	S	.	.	S	Bend	cis	-71.4	172.1	-8.1	39.4	-41.2	0	0	0	110.5	C164 E194 L195 K196	C164-P192 WeakPolarHBondContact O-CD 3.32Å; P192-E194 WeakPolarHBondContact CB-OE2 3.33Å; P192-E194 WeakPolarHBondContact CG-OE2 3.32Å; P192-E194 PolarHBondContact O-N 3.15Å; P192-L195 HydrophobicContact CG-CD1 4.44Å; P192-L195 HydrophobicContact CG-CG 4.39Å; P192-L195 PolarHBondContact O-N 3.32Å; P192-K196 PolarHBondContact O-N 2.75Å
193	I	88.6	Confident	91.2	Very high	126 Å²	126	60 Å²	60	65%	0.646	29%	0.289	S	S	*	.	G	3₁₀ helix	trans	-64	-29.7	-167.6	-68.2	163.9	0	0	0	111.2	L195 K196	I193-L195 VanDerWaalsContact C-N 3.31Å; I193-L195 PolarHBondContact O-N 3.1Å; I193-K196 WeakPolarHBondContact O-CB 3.43Å; I193-K196 PolarHBondContact O-N 2.76Å
194	E	91.8	Very high	91.2	Very high	146 Å²	146	65.9 Å²	65.9	68%	0.682	31%	0.314	S	S	*	.	G	3₁₀ helix	trans	-64.9	-34.1	-179.8	-56.7	71.3	-152.1	0	0	112	P192 Q198	P192-E194 WeakPolarHBondContact CB-OE2 3.33Å; P192-E194 WeakPolarHBondContact CG-OE2 3.32Å; P192-E194 PolarHBondContact O-N 3.15Å; E194-Q198 PolarHBondContact O-NE2 2.92Å
195	L	93.6	Very high	91.3	Very high	16 Å²	16	67 Å²	67	8%	0.084	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-97.6	1.3	178.8	-60.9	-177.8	0	0	0	112.7	C164 C189 P192 I193 N197 Q198 I203 L208	C164-L195 HydrophobicContact CB-CD1 3.97Å; C189-L195 HydrophobicContact CB-CB 4.18Å; C189-L195 VanDerWaalsContact CB-O 3.28Å; C189-L195 WeakPolarHBondContact CB-O 3.37Å; P192-L195 HydrophobicContact CG-CD1 4.44Å; P192-L195 HydrophobicContact CG-CG 4.39Å; P192-L195 PolarHBondContact O-N 3.32Å; I193-L195 VanDerWaalsContact C-N 3.31Å; I193-L195 PolarHBondContact O-N 3.1Å; L195-N197 PolarHBondContact O-N 3.08Å; L195-Q198 VanDerWaalsContact O-CB 3.24Å; L195-Q198 WeakPolarHBondContact O-CB 3.42Å; L195-Q198 WeakPolarHBondContact O-CG 3.35Å; L195-Q198 PolarHBondContact O-N 2.68Å; L195-I203 HydrophobicContact CD1-CG2 4.38Å; L195-L208 HydrophobicContact CD1-CD2 4.27Å
196	K	92.2	Very high	91.4	Very high	85 Å²	85	69.7 Å²	69.7	37%	0.37	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.7	135.9	-176.8	-174.3	178	177.3	-178.2	0	111.5	C189 P192 I193 Q198 I228	C189-K196 WeakPolarHBondContact O-CA 2.83Å; P192-K196 PolarHBondContact O-N 2.75Å; I193-K196 WeakPolarHBondContact O-CB 3.43Å; I193-K196 PolarHBondContact O-N 2.76Å; K196-Q198 PolarHBondContact O-N 2.89Å; K196-Q198 VanDerWaalsContact O-N 3.16Å; K196-I228 VanDerWaalsContact NZ-CD1 3.3Å
197	N	89.4	Confident	91.4	Very high	108 Å²	108	69.1 Å²	69.1	58%	0.578	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	-2.2	-176.4	-60.3	-41.7	0	0	0	116.2	C189 L195	C189-N197 PolarHBondContact O-N 3.47Å; L195-N197 PolarHBondContact O-N 3.08Å
198	Q	92.1	Very high	91.2	Very high	73 Å²	73	69.6 Å²	69.6	34%	0.341	34%	0.341	S	S	.	.			trans	-70.4	138.1	171.8	-62	-167.7	23.2	0	0	110.4	K188 C189 E194 L195 K196 I203	K188-Q198 CarbonylContact C-O 3.46Å; K188-Q198 WeakPolarHBondContact CA-O 3.28Å; C189-Q198 PolarHBondContact N-O 3.17Å; E194-Q198 PolarHBondContact O-NE2 2.92Å; L195-Q198 VanDerWaalsContact O-CB 3.24Å; L195-Q198 WeakPolarHBondContact O-CB 3.42Å; L195-Q198 WeakPolarHBondContact O-CG 3.35Å; L195-Q198 PolarHBondContact O-N 2.68Å; K196-Q198 PolarHBondContact O-N 2.89Å; K196-Q198 VanDerWaalsContact O-N 3.16Å; Q198-I203 HydrophobicContact CB-CD1 4.07Å; Q198-I203 HydrophobicContact CB-CG1 4.09Å
199	K	92.4	Very high	90.7	Very high	81 Å²	81	67.2 Å²	67.2	35%	0.352	34%	0.335	S	S	.	.	B	Isolated β-bridge	trans	-72.4	133.7	179.8	-63.6	-178.7	-176.4	176.1	0	109.7	A187 K188 K201 Q202	A187-K199 CarbonylContact O-C 3.32Å; A187-K199 VanDerWaalsContact O-CA 3.27Å; A187-K199 WeakPolarHBondContact O-CA 3.28Å; K188-K199 HydrophobicContact CG-CG 4.35Å; K199-K201 PolarHBondContact O-N 3.44Å; K199-K201 VanDerWaalsContact O-N 3.13Å; K199-Q202 HydrophobicContact CB-CB 4.39Å; K199-Q202 HydrophobicContact CB-CG 4.14Å; K199-Q202 PolarHBondContact O-N 3.35Å
200	L	94.1	Very high	89.2	Confident	0 Å²	0	70 Å²	70	0%	0	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-51.6	-43.1	-178.9	-64.4	-169.6	0	0	0	112.5	W162 C164 L168 V172 L175 A187 Q202 I203	W162-L200 HydrophobicContact CB-CD2 4.38Å; W162-L200 HydrophobicContact CD2-CD1 4.1Å; W162-L200 HydrophobicContact CG-CD1 4.08Å; C164-L200 WeakPolarHBondContact SG-CD2 3.31Å; L168-L200 HydrophobicContact CD2-CD1 4.31Å; L168-L200 HydrophobicContact CD2-CD2 3.72Å; V172-L200 WeakPolarHBondContact CG1-O 3.28Å; V172-L200 HydrophobicContact CG2-CB 4.35Å; L175-L200 HydrophobicContact CD1-CB 4.22Å; L175-L200 HydrophobicContact CD1-CD1 4.39Å; A187-L200 HydrophobicContact CB-CB 4.39Å; A187-L200 HydrophobicContact CB-CD1 3.6Å; A187-L200 HydrophobicContact CB-CG 3.81Å; A187-L200 PolarHBondContact O-N 2.98Å; L200-Q202 PolarHBondContact O-N 3.4Å; L200-Q202 VanDerWaalsContact O-N 3.15Å; L200-I203 HydrophobicContact CD2-CD1 4.38Å; L200-I203 PolarHBondContact O-N 3.45Å
201	K	91.1	Very high	87.4	Confident	48 Å²	48	77 Å²	77	21%	0.209	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-61.4	-21.6	178.1	-77.2	-172.8	155	173.9	0	115.3	L175 Q176 N180 R181 L183 N185 K199	L175-K201 HydrophobicContact CB-CG 4.05Å; L175-K201 WeakPolarHBondContact O-CE 3.18Å; Q176-K201 WeakPolarHBondContact CG-O 3.2Å; Q176-K201 PolarHBondContact NE2-O 3.46Å; N180-K201 PolarHBondContact O-NZ 3.4Å; N180-K201 VanDerWaalsContact O-NZ 3.13Å; R181-K201 VanDerWaalsContact C-NZ 3.35Å; R181-K201 PolarHBondContact O-NZ 2.93Å; L183-K201 WeakPolarHBondContact O-CE 3.5Å; L183-K201 PolarHBondContact O-NZ 2.75Å; N185-K201 PolarHBondContact OD1-NZ 2.81Å; K199-K201 PolarHBondContact O-N 3.44Å; K199-K201 VanDerWaalsContact O-N 3.13Å
202	Q	91.6	Very high	85.5	Confident	133 Å²	133	81.3 Å²	81.3	62%	0.621	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-98.5	-8.3	-174.3	-65.8	177.8	-29.3	0	0	112.7	K199 L200	K199-Q202 HydrophobicContact CB-CB 4.39Å; K199-Q202 HydrophobicContact CB-CG 4.14Å; K199-Q202 PolarHBondContact O-N 3.35Å; L200-Q202 PolarHBondContact O-N 3.4Å; L200-Q202 VanDerWaalsContact O-N 3.15Å
203	I	92.4	Very high	83.2	Confident	0 Å²	0	86.7 Å²	86.7	0%	0	43%	0.434	C	S	.	.	S	Bend	trans	-85.1	133	-176.9	-63.2	168.4	0	0	0	109.2	V172 Q176 C189 L195 Q198 L200 Q207 L208	V172-I203 WeakPolarHBondContact CG1-O 3.48Å; Q176-I203 PolarHBondContact NE2-O 3.29Å; C189-I203 WeakPolarHBondContact SG-CD1 3.5Å; L195-I203 HydrophobicContact CD1-CG2 4.38Å; Q198-I203 HydrophobicContact CB-CD1 4.07Å; Q198-I203 HydrophobicContact CB-CG1 4.09Å; L200-I203 HydrophobicContact CD2-CD1 4.38Å; L200-I203 PolarHBondContact O-N 3.45Å; I203-Q207 HydrophobicContact CG2-CB 4.18Å; I203-L208 HydrophobicContact CG2-CD1 4.36Å; I203-L208 HydrophobicContact CG2-CD2 3.86Å; I203-L208 HydrophobicContact CG2-CG 3.87Å
204	K	90.3	Very high	81.2	Confident	128 Å²	128	92.9 Å²	92.9	56%	0.557	45%	0.45	S	S	*	.			trans	-81.7	149	176.9	-57.6	179.9	177.9	-179.3	0	110.6	D206 Q207	K204-D206 VanDerWaalsContact C-N 3.3Å; K204-D206 WeakPolarHBondContact CB-OD1 3.31Å; K204-D206 PolarHBondContact O-N 3.23Å; K204-Q207 HydrophobicContact CB-CG 4.19Å; K204-Q207 WeakPolarHBondContact O-CB 3.47Å; K204-Q207 PolarHBondContact O-N 3.31Å
205	A	86.5	Confident	78.8	Confident	26 Å²	26	94 Å²	94	22%	0.215	45%	0.454	C	S	.	.	H	α-helix	trans	-60.6	-36.9	-176.5	0	0	0	0	0	113.3	E169 T173 Q207 L208 C209	E169-A205 HydrophobicContact CG-CB 4.12Å; T173-A205 HydrophobicContact CG2-CB 3.99Å; A205-Q207 PolarHBondContact O-N 2.98Å; A205-L208 WeakPolarHBondContact O-CB 3.16Å; A205-L208 PolarHBondContact O-N 3.36Å; A205-C209 PolarHBondContact O-N 3.04Å
206	D	85.7	Confident	76	Confident	108 Å²	108	100.6 Å²	100.6	58%	0.578	49%	0.49	S	S	*	.	H	α-helix	trans	-62.3	-25.9	174.9	60.7	-34.1	0	0	0	113.4	K204 L208 C209	K204-D206 VanDerWaalsContact C-N 3.3Å; K204-D206 WeakPolarHBondContact CB-OD1 3.31Å; K204-D206 PolarHBondContact O-N 3.23Å; D206-L208 VanDerWaalsContact C-N 3.31Å; D206-C209 CarbonylContact O-C 3.41Å; D206-C209 VanDerWaalsContact O-C 3.32Å; D206-C209 VanDerWaalsContact O-O 3.1Å
207	Q	86.2	Confident	73.9	Confident	96 Å²	96	102.1 Å²	102.1	45%	0.449	51%	0.508	S	S	.	.	H	α-helix	trans	-78.1	-18.5	175.7	-61.6	176.7	-33.5	0	0	112.8	I203 K204 A205	I203-Q207 HydrophobicContact CG2-CB 4.18Å; K204-Q207 HydrophobicContact CB-CG 4.19Å; K204-Q207 WeakPolarHBondContact O-CB 3.47Å; K204-Q207 PolarHBondContact O-N 3.31Å; A205-Q207 PolarHBondContact O-N 2.98Å
208	L	87.9	Confident	72	Confident	11 Å²	11	105.5 Å²	105.5	6%	0.058	52%	0.521	C	S	.	.	H	α-helix	trans	-88	-33.8	176.4	-62.3	169.9	0	0	0	111.4	C164 N165 C166 V172 L195 I203 A205 D206	C164-L208 HydrophobicContact CB-CD2 3.61Å; N165-L208 CarbonylContact C-O 3.56Å; C166-L208 PolarHBondContact N-O 2.71Å; C166-L208 VanDerWaalsContact N-O 3.16Å; V172-L208 HydrophobicContact CB-CD1 3.8Å; V172-L208 HydrophobicContact CG1-CD1 4.07Å; V172-L208 HydrophobicContact CG2-CD1 3.78Å; L195-L208 HydrophobicContact CD1-CD2 4.27Å; I203-L208 HydrophobicContact CG2-CD1 4.36Å; I203-L208 HydrophobicContact CG2-CD2 3.86Å; I203-L208 HydrophobicContact CG2-CG 3.87Å; A205-L208 WeakPolarHBondContact O-CB 3.16Å; A205-L208 PolarHBondContact O-N 3.36Å; D206-L208 VanDerWaalsContact C-N 3.31Å
209	C	82.3	Confident	69.4	Low	35 Å²	35	109.7 Å²	109.7	24%	0.236	55%	0.546	C	S	.	.			trans	-125.1	93.5	177.1	-69.6	0	0	0	0	111.1	C166 A205 D206	C166-C209 WeakPolarHBondContact CA-SG 3.38Å; C166-C209 HydrophobicContact CB-CB 4.42Å; C166-C209 WeakPolarHBondContact CB-SG 3.03Å; C166-C209 WeakPolarHBondContact SG-CA 3.29Å; C166-C209 WeakPolarHBondContact SG-CB 3.47Å; C166-C209 CovalentContact SG-SG 2.04Å; C166-C209 PolarHBondContact SG-SG 3.33Å; A205-C209 PolarHBondContact O-N 3.04Å; D206-C209 CarbonylContact O-C 3.41Å; D206-C209 VanDerWaalsContact O-C 3.32Å; D206-C209 VanDerWaalsContact O-O 3.1Å
210	G	65.3	Low	67.1	Low	60 Å²	60	113.1 Å²	113.1	62%	0.619	57%	0.566	S	S	*	*			trans	-78.3	148.8	161.9	0	0	0	0	0	110.3	E212	G210-E212 PolarHBondContact O-N 3.05Å
211	E	56.1	Low	64.4	Low	206 Å²	206	121.7 Å²	121.7	96%	0.963	60%	0.603	S	S	*	*	S	Bend	trans	-67.9	12.7	178.5	-70.4	-166.1	152.4	0	0	114.8
212	E	52.8	Low	62.2	Low	174 Å²	174	130.4 Å²	130.4	81%	0.813	64%	0.635	S	S	*	*			trans	-123.4	98.6	-178.9	-65.8	-172.1	162.8	0	0	110.7	G210	G210-E212 PolarHBondContact O-N 3.05Å
213	E	45.1	Very low	59.8	Low	161 Å²	161	132.4 Å²	132.4	75%	0.752	64%	0.644	S	S	*	*				159.3	92.9	116.7	-84	-179.3	-179.9	0	0	112.2	Q215	E213-Q215 VanDerWaalsContact C-N 3.32Å; E213-Q215 PolarHBondContact O-N 2.78Å
214	R	47.1	Very low	57.1	Low	256 Å²	256	142 Å²	142	97%	0.966	69%	0.686	S	S	*	*			trans	-81.8	81.5	138.6	-73.2	-178.1	-175.6	172.2	2.8	107.5
215	Q	39.9	Very low	54.9	Low	168 Å²	168	141.8 Å²	141.8	79%	0.785	70%	0.698	S	S	*	*			trans	-139.8	148	165.1	-72.1	-166.7	4.7	0	0	112.6	E213	E213-Q215 VanDerWaalsContact C-N 3.32Å; E213-Q215 PolarHBondContact O-N 2.78Å
216	D	34.8	Very low	52.7	Low	156 Å²	156	149 Å²	149	83%	0.834	73%	0.727	S	S	*	*			trans	-60.2	160.9	-165.4	-107.2	-38.9	0	0	0	116.4	Q218	D216-Q218 PolarHBondContact O-N 3.44Å; D216-Q218 VanDerWaalsContact O-N 3.13Å
217	P	49.7	Very low	50.6	Low	116 Å²	116	148.8 Å²	148.8	75%	0.753	74%	0.74	S	S	*	*	S	Bend	trans	-87.5	79.7	-170.6	35.8	-33.2	0	0	0	112.8
218	Q	48	Very low	48.4	Very low	180 Å²	180	150 Å²	150	84%	0.841	75%	0.748	S	S	*	*			trans	-149	89.3	165.6	-68.4	-164.9	9.1	0	0	114	D216	D216-Q218 PolarHBondContact O-N 3.44Å; D216-Q218 VanDerWaalsContact O-N 3.13Å
219	N	37.7	Very low	45.9	Very low	161 Å²	161	158.5 Å²	158.5	86%	0.861	79%	0.785	S	S	*	*			trans	179.6	87.9	134.8	-107.4	-46.2	0	0	0	110.9	K221	N219-K221 PolarHBondContact O-N 3.22Å
220	I	43.9	Very low	43.8	Very low	152 Å²	152	162.1 Å²	162.1	78%	0.779	81%	0.808	S	S	*	*			trans	-93.2	92.2	168	-56.1	176.2	0	0	0	107.7	R222	I220-R222 HydrophobicContact CG2-CG 3.91Å; I220-R222 PolarHBondContact O-N 3.32Å; I220-R222 VanDerWaalsContact O-N 3.14Å
221	K	37.4	Very low	42.6	Very low	180 Å²	180	168.3 Å²	168.3	78%	0.783	82%	0.821	S	S	*	*			trans	-67.2	106	154	-81	-175.5	178.7	178	0	106.9	N219 E223	N219-K221 PolarHBondContact O-N 3.22Å; K221-E223 VanDerWaalsContact C-N 3.32Å; K221-E223 PolarHBondContact O-N 3.26Å
222	R	46.1	Very low	42	Very low	232 Å²	232	164.8 Å²	164.8	88%	0.875	80%	0.803	S	S	*	*			trans	-72.4	89	170.2	-70.3	-178.3	177.6	179.5	-0.3	108.3	I220	I220-R222 HydrophobicContact CG2-CG 3.91Å; I220-R222 PolarHBondContact O-N 3.32Å; I220-R222 VanDerWaalsContact O-N 3.14Å
223	E	39.9	Very low	41.7	Very low	174 Å²	174	160.5 Å²	160.5	81%	0.813	79%	0.785	S	S	*	*			trans	-78.3	132.3	160.7	-78.3	-177.9	176	0	0	109.7	K221	K221-E223 VanDerWaalsContact C-N 3.32Å; K221-E223 PolarHBondContact O-N 3.26Å
224	K	37.1	Very low	41.7	Very low	201 Å²	201	154.2 Å²	154.2	87%	0.874	76%	0.759	S	S	*	*			trans	-57.4	136.9	-179.8	-119.2	173.4	176.2	177.5	0	109.1	E226	K224-E226 PolarHBondContact O-N 3.24Å
225	P	44.1	Very low	42	Very low	124 Å²	124	143.8 Å²	143.8	81%	0.805	73%	0.725	S	S	*	*			trans	-68	112.3	170.4	23	-23.5	0	0	0	108.8	A227	P225-A227 PolarHBondContact O-N 2.79Å
226	E	39.1	Very low	43.1	Very low	179 Å²	179	140 Å²	140	84%	0.836	71%	0.71	S	S	*	*			trans	-60.6	128.3	159.8	-93.8	-177.9	159	0	0	108.5	K224 I228	K224-E226 PolarHBondContact O-N 3.24Å; E226-I228 VanDerWaalsContact C-N 3.34Å; E226-I228 PolarHBondContact O-N 3.43Å
227	A	41.9	Very low	45.3	Very low	102 Å²	102	133 Å²	133	84%	0.843	67%	0.673	S	S	*	*			trans	-68.2	92.5	176.7	0	0	0	0	0	109.2	P225 K229	P225-A227 PolarHBondContact O-N 2.79Å; A227-K229 PolarHBondContact O-N 3.49Å
228	I	40.7	Very low	46.7	Very low	122 Å²	122	127.7 Å²	127.7	63%	0.626	64%	0.638	S	S	*	*			trans	-66.8	114.8	165.9	-59.8	171.8	0	0	0	106.8	K196 E226 P230	K196-I228 VanDerWaalsContact NZ-CD1 3.3Å; E226-I228 VanDerWaalsContact C-N 3.34Å; E226-I228 PolarHBondContact O-N 3.43Å; I228-P230 WeakPolarHBondContact O-CD 3.47Å
229	K	35.7	Very low	48.3	Very low	190 Å²	190	119.2 Å²	119.2	83%	0.826	60%	0.599	S	S	*	*			trans	-62.5	121.9	164.6	-72	178.1	178.9	174.5	0	107.3	A227 E231	A227-K229 PolarHBondContact O-N 3.49Å; K229-E231 PolarHBondContact O-N 2.82Å; K229-E231 VanDerWaalsContact O-N 3.13Å
230	P	38.1	Very low	50.3	Low	110 Å²	110	114.2 Å²	114.2	71%	0.714	57%	0.568	S	S	*	*			trans	-69.1	114.6	177.9	25.2	-29.4	0	0	0	108.9	I228 F232	I228-P230 WeakPolarHBondContact O-CD 3.47Å; P230-F232 PolarHBondContact O-N 2.88Å
231	E	39.9	Very low	51.8	Low	191 Å²	191	107.5 Å²	107.5	89%	0.893	53%	0.534	S	S	*	.			trans	-80.1	112.8	171.2	-133.4	172.5	-169.9	0	0	108.4	K229	K229-E231 PolarHBondContact O-N 2.82Å; K229-E231 VanDerWaalsContact O-N 3.13Å
232	F	42.6	Very low	53.5	Low	132 Å²	132	100.4 Å²	100.4	58%	0.579	50%	0.503	S	S	*	.			trans	46	82.1	168.1	-107.7	-99.6	0	0	0	116.6	P230	P230-F232 PolarHBondContact O-N 2.88Å
233	D	46.1	Very low	55	Low	83 Å²	83	92 Å²	92	44%	0.444	48%	0.479	S	S	.	.			trans	-86.6	112.8	-179.7	-159.3	-7.8	0	0	0	111.2	S235	D233-S235 PolarHBondContact O-N 2.73Å; D233-S235 WeakPolarHBondContact OD1-CB 3.23Å; D233-S235 PolarHBondContact OD1-N 2.02Å; D233-S235 PolarHBondContact OD1-OG 2.78Å; D233-S235 VanDerWaalsContact OD1-OG 3.09Å; D233-S235 VanDerWaalsContact OD2-CB 3.32Å; D233-S235 WeakPolarHBondContact OD2-CB 3.41Å; D233-S235 PolarHBondContact OD2-OG 2.71Å
234	S	45.6	Very low	57.1	Low	29 Å²	29	86.1 Å²	86.1	20%	0.203	46%	0.455	C	S	.	.	G	3₁₀ helix	trans	-62.1	-3.4	167.1	-72.8	0	0	0	0	112.5	L236 N260	S234-L236 VanDerWaalsContact C-N 3.26Å; S234-L236 PolarHBondContact O-N 3.15Å; S234-N260 VanDerWaalsContact OG-CB 3.28Å; S234-N260 WeakPolarHBondContact OG-CB 3.49Å; S234-N260 PolarHBondContact OG-O 2.77Å; S234-N260 VanDerWaalsContact OG-O 3.1Å
235	S	53.8	Low	59.4	Low	37 Å²	37	78.1 Å²	78.1	26%	0.259	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	-69.1	-6.8	177	80.6	0	0	0	0	116.6	D233	D233-S235 PolarHBondContact O-N 2.73Å; D233-S235 WeakPolarHBondContact OD1-CB 3.23Å; D233-S235 PolarHBondContact OD1-N 2.02Å; D233-S235 PolarHBondContact OD1-OG 2.78Å; D233-S235 VanDerWaalsContact OD1-OG 3.09Å; D233-S235 VanDerWaalsContact OD2-CB 3.32Å; D233-S235 WeakPolarHBondContact OD2-CB 3.41Å; D233-S235 PolarHBondContact OD2-OG 2.71Å
236	L	63	Low	61.6	Low	90 Å²	90	73.2 Å²	73.2	47%	0.471	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-77.9	-25.5	178	-70.8	176.2	0	0	0	113.4	S234 K252	S234-L236 VanDerWaalsContact C-N 3.26Å; S234-L236 PolarHBondContact O-N 3.15Å; L236-K252 VanDerWaalsContact O-CD 3.3Å; L236-K252 WeakPolarHBondContact O-CD 3.22Å; L236-K252 WeakPolarHBondContact O-CE 3.42Å; L236-K252 PolarHBondContact O-NZ 3.02Å
237	C	80.1	Confident	64.1	Low	7 Å²	7	65.3 Å²	65.3	5%	0.047	35%	0.354	C	S	.	.	S	Bend	trans	-89.2	144.4	-179.5	-59	0	0	0	0	111.1	L247 N248 C249	C237-L247 HydrophobicContact CB-CD1 3.67Å; C237-L247 HydrophobicContact CB-CG 4.04Å; C237-N248 WeakPolarHBondContact CA-O 3.5Å; C237-C249 HydrophobicContact CB-CB 4.02Å; C237-C249 WeakPolarHBondContact CB-SG 3.34Å; C237-C249 VanDerWaalsContact SG-CA 3.56Å; C237-C249 WeakPolarHBondContact SG-CB 3.37Å; C237-C249 CovalentContact SG-SG 2.02Å; C237-C249 PolarHBondContact SG-SG 3.01Å
238	H	81	Confident	66.4	Low	6 Å²	6	62.4 Å²	62.4	3%	0.028	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	136.7	175	177.5	80.2	0	0	0	109.9	Q65 R87 Q111 Y240 N248	Q65-H238 PolarHBondContact OE1-NE2 2.9Å; R87-H238 VanDerWaalsContact CZ-CG 3.43Å; R87-H238 VanDerWaalsContact CZ-ND1 3.28Å; R87-H238 PolarHBondContact NE-ND1 3.09Å; R87-H238 VanDerWaalsContact NH1-CG 3.29Å; R87-H238 PolarHBondContact NH2-CD2 2.81Å; R87-H238 PolarHBondContact NH2-CE1 3.46Å; R87-H238 VanDerWaalsContact NH2-CE1 3.33Å; R87-H238 PolarHBondContact NH2-NE2 2.83Å; R87-H238 VanDerWaalsContact NH2-NE2 3.12Å; Q111-H238 PolarHBondContact OE1-ND1 2.01Å; H238-Y240 AromaticContact CD2-CD1 3.76Å; H238-Y240 AromaticContact CD2-CD2 3.6Å; H238-Y240 AromaticContact CD2-CE1 3.47Å; H238-Y240 VanDerWaalsContact CD2-CE1 3.47Å; H238-Y240 WeakPolarHBondContact CD2-CE1 3.5Å; H238-Y240 AromaticContact CD2-CE2 3.29Å; H238-Y240 WeakPolarHBondContact CD2-CE2 3.41Å; H238-Y240 AromaticContact CD2-CG 3.81Å; H238-Y240 AromaticContact CD2-CZ 3.19Å; H238-Y240 AromaticContact NE2-CD1 3.39Å; H238-Y240 WeakPolarHBondContact NE2-CD1 3.37Å; H238-Y240 AromaticContact NE2-CE1 3.28Å; H238-Y240 VanDerWaalsContact NE2-CE1 3.28Å; H238-Y240 WeakPolarHBondContact NE2-CE1 3.26Å; H238-Y240 AromaticContact NE2-CE2 3.99Å; H238-Y240 AromaticContact NE2-CG 3.79Å; H238-Y240 AromaticContact NE2-CZ 3.57Å; H238-N248 PolarHBondContact N-O 3.23Å; H238-N248 WeakPolarHBondContact O-CA 3.35Å; H238-N248 PolarHBondContact O-N 3.43Å
239	M	81.3	Confident	68.9	Low	2 Å²	2	56.6 Å²	56.6	1%	0.01	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116	-179.9	-170.2	-174.9	66.7	0	0	112.3	Q110 R156 V241 T246 L247 P262	Q110-M239 PolarHBondContact NE2-O 3.34Å; Q110-M239 PolarHBondContact OE1-O 3.02Å; R156-M239 VanDerWaalsContact NE-CE 3.31Å; R156-M239 PolarHBondContact NH1-SD 3.1Å; R156-M239 PolarHBondContact NH2-SD 2.74Å; M239-V241 HydrophobicContact CE-CG2 3.37Å; M239-V241 HydrophobicContact SD-CG2 4.39Å; M239-T246 CarbonylContact C-O 3.53Å; M239-T246 WeakPolarHBondContact CA-O 3Å; M239-L247 HydrophobicContact CB-CD1 3.99Å; M239-L247 HydrophobicContact CG-CD1 4.37Å; M239-P262 HydrophobicContact SD-CG 4.26Å
240	Y	79.6	Confident	71.6	Confident	55 Å²	55	51 Å²	51	22%	0.216	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	117.6	168.9	-54.3	-86.2	0	0	0	108.8	Q65 R87 H238 F242 P245 T246 N248	Q65-Y240 VanDerWaalsContact OE1-CE1 3.22Å; R87-Y240 PolarHBondContact NH1-OH 3.03Å; R87-Y240 VanDerWaalsContact NH2-CZ 3.35Å; R87-Y240 PolarHBondContact NH2-OH 3.18Å; H238-Y240 AromaticContact CD2-CD1 3.76Å; H238-Y240 AromaticContact CD2-CD2 3.6Å; H238-Y240 AromaticContact CD2-CE1 3.47Å; H238-Y240 VanDerWaalsContact CD2-CE1 3.47Å; H238-Y240 WeakPolarHBondContact CD2-CE1 3.5Å; H238-Y240 AromaticContact CD2-CE2 3.29Å; H238-Y240 WeakPolarHBondContact CD2-CE2 3.41Å; H238-Y240 AromaticContact CD2-CG 3.81Å; H238-Y240 AromaticContact CD2-CZ 3.19Å; H238-Y240 AromaticContact NE2-CD1 3.39Å; H238-Y240 WeakPolarHBondContact NE2-CD1 3.37Å; H238-Y240 AromaticContact NE2-CE1 3.28Å; H238-Y240 VanDerWaalsContact NE2-CE1 3.28Å; H238-Y240 WeakPolarHBondContact NE2-CE1 3.26Å; H238-Y240 AromaticContact NE2-CE2 3.99Å; H238-Y240 AromaticContact NE2-CG 3.79Å; H238-Y240 AromaticContact NE2-CZ 3.57Å; Y240-F242 VanDerWaalsContact C-N 3.33Å; Y240-P245 CarbonylContact O-C 3.56Å; Y240-P245 VanDerWaalsContact O-CA 3.3Å; Y240-P245 WeakPolarHBondContact O-CA 3.06Å; Y240-T246 HydrophobicContact CD2-CG2 4.33Å; Y240-T246 PolarHBondContact N-O 3.11Å; Y240-T246 PolarHBondContact O-N 2.76Å; Y240-N248 HydrophobicContact CD2-CB 4.19Å; Y240-N248 HydrophobicContact CE2-CB 3.71Å
241	V	74.3	Confident	74.1	Confident	11 Å²	11	54 Å²	54	7%	0.067	27%	0.267	C	S	.	.			trans	-82	-22.3	174.4	179.7	0	0	0	0	111.3	T130 L132 Y154 M239 V244	T130-V241 HydrophobicContact CG2-CG1 4.21Å; L132-V241 HydrophobicContact CD1-CB 3.62Å; L132-V241 HydrophobicContact CD1-CG2 3.29Å; L132-V241 HydrophobicContact CD2-CB 4.35Å; L132-V241 HydrophobicContact CD2-CG2 3.69Å; L132-V241 HydrophobicContact CG-CG2 4.14Å; Y154-V241 HydrophobicContact CE1-CG1 4.16Å; Y154-V241 HydrophobicContact CE1-CG2 4.44Å; M239-V241 HydrophobicContact CE-CG2 3.37Å; M239-V241 HydrophobicContact SD-CG2 4.39Å; V241-V244 CarbonylContact O-C 3.42Å
242	F	72.8	Confident	76.5	Confident	32 Å²	32	48.9 Å²	48.9	14%	0.14	24%	0.242	C	C	.	.	S	Bend	trans	-127.4	150.9	-177.7	-61.9	-82.3	0	0	0	112.6	Y61 H82 L84 S106 T130 Y240 V244	Y61-F242 HydrophobicContact CE1-CB 3.93Å; H82-F242 AromaticContact ND1-CD1 3.65Å; H82-F242 AromaticContact ND1-CE1 3.86Å; L84-F242 HydrophobicContact CD2-CB 4.36Å; S106-F242 WeakPolarHBondContact OG-CE2 3.24Å; T130-F242 HydrophobicContact CG2-CE2 3.44Å; T130-F242 VanDerWaalsContact CG2-CE2 3.44Å; T130-F242 HydrophobicContact CG2-CZ 3.52Å; Y240-F242 VanDerWaalsContact C-N 3.33Å; F242-V244 VanDerWaalsContact C-N 3.26Å
243	P	77.9	Confident	78.7	Confident	56 Å²	56	47.6 Å²	47.6	36%	0.364	24%	0.241	S	C	.	.	S	Bend	cis	-71.6	-17.2	-6.8	29.1	-34.5	0	0	0	113.6	Y56	Y56-P243 HydrophobicContact CD1-CB 3.33Å; Y56-P243 HydrophobicContact CD1-CG 4.09Å; Y56-P243 HydrophobicContact CE1-CB 3.34Å; Y56-P243 HydrophobicContact CE1-CG 4.05Å; Y56-P243 HydrophobicContact CG-CB 4.03Å; Y56-P243 HydrophobicContact CG-CG 4.36Å
244	V	84.7	Confident	80.9	Confident	50 Å²	50	44.6 Å²	44.6	30%	0.303	23%	0.225	S	C	.	.	S	Bend	trans	-130.1	130.9	179.2	175.5	0	0	0	0	108.1	V241 F242 T246 V266	V241-V244 CarbonylContact O-C 3.42Å; F242-V244 VanDerWaalsContact C-N 3.26Å; V244-T246 PolarHBondContact O-N 2.5Å; V244-T246 PolarHBondContact O-OG1 3.41Å; V244-V266 HydrophobicContact CG1-CB 3.59Å; V244-V266 HydrophobicContact CG1-CG1 3.58Å; V244-V266 HydrophobicContact CG1-CG2 4.31Å
245	P	86.3	Confident	83.1	Confident	33 Å²	33	51 Å²	51	21%	0.214	25%	0.25	C	C	.	.			trans	-53.1	107.2	175.4	-28.1	36.2	0	0	0	111.7	Y240 V266 K267	Y240-P245 CarbonylContact O-C 3.56Å; Y240-P245 VanDerWaalsContact O-CA 3.3Å; Y240-P245 WeakPolarHBondContact O-CA 3.06Å; P245-V266 HydrophobicContact CB-CG2 4.37Å; P245-V266 HydrophobicContact CG-CG2 4.33Å; P245-V266 PolarHBondContact O-N 2.98Å; P245-K267 PolarHBondContact O-N 2.92Å
246	T	89.6	Confident	84.9	Confident	21 Å²	21	54 Å²	54	13%	0.129	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	117.4	-171.8	-57.9	0	0	0	0	109.8	M239 Y240 V244 K267	M239-T246 CarbonylContact C-O 3.53Å; M239-T246 WeakPolarHBondContact CA-O 3Å; Y240-T246 HydrophobicContact CD2-CG2 4.33Å; Y240-T246 PolarHBondContact N-O 3.11Å; Y240-T246 PolarHBondContact O-N 2.76Å; V244-T246 PolarHBondContact O-N 2.5Å; V244-T246 PolarHBondContact O-OG1 3.41Å; T246-K267 CarbonylContact C-O 3.38Å; T246-K267 VanDerWaalsContact CA-O 3.22Å; T246-K267 WeakPolarHBondContact CA-O 3.4Å; T246-K267 HydrophobicContact CG2-CB 3.96Å; T246-K267 HydrophobicContact CG2-CD 3.91Å; T246-K267 HydrophobicContact CG2-CG 3.84Å
247	L	91.1	Very high	86.2	Confident	13 Å²	13	50.1 Å²	50.1	7%	0.068	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	112.5	167.7	-172.4	64.8	0	0	0	109.4	C237 M239 I261 I265 K267 L268 D269	C237-L247 HydrophobicContact CB-CD1 3.67Å; C237-L247 HydrophobicContact CB-CG 4.04Å; M239-L247 HydrophobicContact CB-CD1 3.99Å; M239-L247 HydrophobicContact CG-CD1 4.37Å; L247-I261 HydrophobicContact CD2-CB 4.49Å; L247-I261 HydrophobicContact CD2-CG1 4.28Å; L247-I261 HydrophobicContact CD2-CG2 3.91Å; L247-I265 HydrophobicContact CB-CD1 3.93Å; L247-I265 HydrophobicContact CB-CG2 4.32Å; L247-I265 HydrophobicContact CD2-CD1 4.46Å; L247-K267 PolarHBondContact N-O 2.92Å; L247-L268 HydrophobicContact CB-CD1 3.91Å; L247-L268 HydrophobicContact CD2-CD1 3.92Å; L247-L268 HydrophobicContact CG-CD1 4.08Å; L247-L268 WeakPolarHBondContact O-CA 3.16Å; L247-D269 PolarHBondContact O-N 3.42Å
248	N	90.9	Very high	86.6	Confident	41 Å²	41	50.3 Å²	50.3	22%	0.219	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	106.6	179.7	-173.5	-25.9	0	0	0	110.8	C237 H238 Y240 K250	C237-N248 WeakPolarHBondContact CA-O 3.5Å; H238-N248 PolarHBondContact N-O 3.23Å; H238-N248 WeakPolarHBondContact O-CA 3.35Å; H238-N248 PolarHBondContact O-N 3.43Å; Y240-N248 HydrophobicContact CD2-CB 4.19Å; Y240-N248 HydrophobicContact CE2-CB 3.71Å; N248-K250 WeakPolarHBondContact OD1-CB 3.34Å; N248-K250 PolarHBondContact OD1-N 3.18Å
249	C	91.6	Very high	86.5	Confident	0 Å²	0	53.3 Å²	53.3	0%	0	27%	0.271	C	S	.	.			trans	-108.7	17.9	177.4	-63.3	0	0	0	0	112.2	C237 K252 L254 D269 L270 N273	C237-C249 HydrophobicContact CB-CB 4.02Å; C237-C249 WeakPolarHBondContact CB-SG 3.34Å; C237-C249 VanDerWaalsContact SG-CA 3.56Å; C237-C249 WeakPolarHBondContact SG-CB 3.37Å; C237-C249 CovalentContact SG-SG 2.02Å; C237-C249 PolarHBondContact SG-SG 3.01Å; C249-K252 WeakPolarHBondContact O-CB 3.37Å; C249-K252 VanDerWaalsContact O-CG 3.27Å; C249-K252 WeakPolarHBondContact O-CG 3.44Å; C249-L254 HydrophobicContact CB-CD1 3.8Å; C249-D269 CarbonylContact C-O 3.54Å; C249-D269 VanDerWaalsContact CA-O 3.31Å; C249-D269 WeakPolarHBondContact CA-O 3.31Å; C249-D269 WeakPolarHBondContact CB-O 3.3Å; C249-D269 PolarHBondContact N-O 3.18Å; C249-L270 HydrophobicContact CB-CD2 3.59Å; C249-L270 HydrophobicContact CB-CG 4.45Å; C249-N273 PolarHBondContact O-ND2 3.4Å
250	K	92.8	Very high	86.1	Confident	72 Å²	72	58.4 Å²	58.4	31%	0.313	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.6	136.6	-173.4	179.1	169.2	-171.3	153.7	0	112.5	N248 K252 D269 S271 N272	N248-K250 WeakPolarHBondContact OD1-CB 3.34Å; N248-K250 PolarHBondContact OD1-N 3.18Å; K250-K252 PolarHBondContact O-N 2.82Å; K250-D269 PolarHBondContact N-O 2.79Å; K250-S271 VanDerWaalsContact CA-O 3.31Å; K250-S271 WeakPolarHBondContact CA-O 3.42Å; K250-S271 WeakPolarHBondContact CD-OG 3.41Å; K250-S271 WeakPolarHBondContact CG-OG 3.49Å; K250-N272 WeakPolarHBondContact CE-ND2 3.35Å; K250-N272 HydrophobicContact CG-CB 4.4Å
251	R	91.7	Very high	86.4	Confident	172 Å²	172	56.5 Å²	56.5	65%	0.649	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	49.2	176.7	-63.7	174.5	-173.4	151.6	-0.8	113.1	S271 N272	R251-S271 PolarHBondContact N-O 3.38Å; R251-N272 VanDerWaalsContact CA-O 3.28Å; R251-N272 WeakPolarHBondContact CA-O 3.41Å; R251-N272 HydrophobicContact CG-CB 3.49Å; R251-N272 VanDerWaalsContact CG-CB 3.49Å; R251-N272 PolarHBondContact N-O 3.32Å
252	K	88.9	Confident	86.8	Confident	85 Å²	85	56.6 Å²	56.6	37%	0.37	29%	0.293	S	S	.	.	S	Bend	trans	-111.8	11.7	179.7	-65.1	-66.6	177.6	154.8	0	113.1	L236 C249 K250 L254 N273	L236-K252 VanDerWaalsContact O-CD 3.3Å; L236-K252 WeakPolarHBondContact O-CD 3.22Å; L236-K252 WeakPolarHBondContact O-CE 3.42Å; L236-K252 PolarHBondContact O-NZ 3.02Å; C249-K252 WeakPolarHBondContact O-CB 3.37Å; C249-K252 VanDerWaalsContact O-CG 3.27Å; C249-K252 WeakPolarHBondContact O-CG 3.44Å; K250-K252 PolarHBondContact O-N 2.82Å; K252-L254 HydrophobicContact CB-CD1 4.26Å; K252-L254 HydrophobicContact CB-CD2 4.28Å; K252-L254 HydrophobicContact CB-CG 3.85Å; K252-L254 PolarHBondContact O-N 3.02Å; K252-L254 VanDerWaalsContact O-N 3.12Å; K252-N273 WeakPolarHBondContact CA-OD1 3.3Å; K252-N273 PolarHBondContact N-OD1 3.13Å
253	D	90.2	Very high	87.3	Confident	104 Å²	104	57.2 Å²	57.2	56%	0.556	30%	0.3	S	S	*	.			trans	54.7	27.1	-178.3	-71.1	-64	0	0	0	113.6	K255 N273 K274	D253-K255 PolarHBondContact O-N 2.8Å; D253-N273 PolarHBondContact N-OD1 3.29Å; D253-K274 VanDerWaalsContact OD1-CE 3.31Å; D253-K274 WeakPolarHBondContact OD1-CE 3.37Å; D253-K274 IonicContact OD1-NZ 2.82Å; D253-K274 PolarHBondContact OD1-NZ 2.92Å
254	L	90.9	Very high	87.6	Confident	20 Å²	20	57 Å²	57	11%	0.105	30%	0.296	C	S	.	.			trans	-66.2	133.3	-177.4	-61	174.6	0	0	0	110.6	C249 K252 P258 L270 N273 K274 I275	C249-L254 HydrophobicContact CB-CD1 3.8Å; K252-L254 HydrophobicContact CB-CD1 4.26Å; K252-L254 HydrophobicContact CB-CD2 4.28Å; K252-L254 HydrophobicContact CB-CG 3.85Å; K252-L254 PolarHBondContact O-N 3.02Å; K252-L254 VanDerWaalsContact O-N 3.12Å; L254-P258 HydrophobicContact CD1-CG 4Å; L254-L270 HydrophobicContact CD1-CD2 3.88Å; L254-N273 HydrophobicContact CB-CB 4.05Å; L254-N273 PolarHBondContact N-OD1 2.81Å; L254-N273 VanDerWaalsContact N-OD1 3.07Å; L254-K274 CarbonylContact O-C 3.48Å; L254-K274 VanDerWaalsContact O-CA 3.26Å; L254-K274 WeakPolarHBondContact O-CA 3.17Å; L254-K274 PolarHBondContact O-N 3.45Å; L254-I275 HydrophobicContact CB-CG1 4.49Å; L254-I275 PolarHBondContact O-N 2.88Å
255	K	92.3	Very high	87.8	Confident	165 Å²	165	54.6 Å²	54.6	72%	0.717	28%	0.281	S	S	*	.	S	Bend	trans	-96.8	-14.8	176.6	-63.7	-178.8	-178.3	177.4	0	113.5	D253	D253-K255 PolarHBondContact O-N 2.8Å
256	K	91.4	Very high	88.2	Confident	99 Å²	99	54.8 Å²	54.8	43%	0.43	28%	0.282	S	S	.	.	S	Bend	trans	-145.6	161.5	-177.7	-64	-173.9	179.4	-178.8	0	109.1
257	V	91.4	Very high	88.5	Confident	9 Å²	9	57.4 Å²	57.4	6%	0.055	29%	0.291	C	S	.	.			trans	-63	135.3	169.3	-178.1	0	0	0	0	109.2	I261 L270 I275 L278 E282 F283	V257-I261 HydrophobicContact CG1-CD1 3.69Å; V257-L270 HydrophobicContact CG1-CD1 4.27Å; V257-L270 HydrophobicContact CG2-CD1 4.33Å; V257-I275 HydrophobicContact CG2-CD1 4.48Å; V257-L278 HydrophobicContact CG2-CD2 3.88Å; V257-E282 HydrophobicContact CB-CB 4.1Å; V257-E282 HydrophobicContact CB-CG 4.27Å; V257-E282 HydrophobicContact CG1-CB 4.29Å; V257-E282 HydrophobicContact CG2-CB 4.22Å; V257-E282 HydrophobicContact CG2-CG 4.47Å; V257-E282 WeakPolarHBondContact CG2-OE2 3.46Å; V257-F283 HydrophobicContact CG1-CD1 4.48Å; V257-F283 HydrophobicContact CG1-CE1 3.81Å; V257-F283 HydrophobicContact CG1-CZ 4.13Å; V257-F283 HydrophobicContact CG2-CE1 4.38Å; V257-F283 HydrophobicContact CG2-CZ 3.85Å
258	P	86.9	Confident	88.7	Confident	11 Å²	11	56.8 Å²	56.8	7%	0.071	29%	0.288	C	S	.	.			trans	-62.9	138.7	175.6	-21.7	33.1	0	0	0	112	L254 I261 L270	L254-P258 HydrophobicContact CD1-CG 4Å; P258-I261 HydrophobicContact CB-CG1 4.47Å; P258-I261 WeakPolarHBondContact O-CD1 3.43Å; P258-I261 WeakPolarHBondContact O-CG1 3.27Å; P258-L270 HydrophobicContact CG-CD2 4.31Å
259	G	78.9	Confident	88.9	Confident	68 Å²	68	55.7 Å²	55.7	70%	0.701	28%	0.282	S	S	*	.	S	Bend	trans	-79.2	-25	-174.6	0	0	0	0	0	116
260	N	72.9	Confident	89.1	Confident	109 Å²	109	55.7 Å²	55.7	58%	0.583	28%	0.282	S	S	*	.			trans	-108.5	71.6	177.9	-42.8	-72.9	0	0	0	110.4	S234	S234-N260 VanDerWaalsContact OG-CB 3.28Å; S234-N260 WeakPolarHBondContact OG-CB 3.49Å; S234-N260 PolarHBondContact OG-O 2.77Å; S234-N260 VanDerWaalsContact OG-O 3.1Å
261	I	85.9	Confident	89.4	Confident	16 Å²	16	52.4 Å²	52.4	8%	0.082	27%	0.268	C	S	.	.			trans	-84.4	129.7	171.3	-60.6	166.6	0	0	0	107.9	L247 V257 P258 I265 L268 V286	L247-I261 HydrophobicContact CD2-CB 4.49Å; L247-I261 HydrophobicContact CD2-CG1 4.28Å; L247-I261 HydrophobicContact CD2-CG2 3.91Å; V257-I261 HydrophobicContact CG1-CD1 3.69Å; P258-I261 HydrophobicContact CB-CG1 4.47Å; P258-I261 WeakPolarHBondContact O-CD1 3.43Å; P258-I261 WeakPolarHBondContact O-CG1 3.27Å; I261-I265 HydrophobicContact CG2-CD1 3.26Å; I261-I265 HydrophobicContact CG2-CG1 3.99Å; I261-L268 HydrophobicContact CD1-CD2 3.88Å; I261-V286 HydrophobicContact CB-CG1 3.84Å; I261-V286 HydrophobicContact CG2-CG1 3.5Å; I261-V286 VanDerWaalsContact CG2-CG1 3.5Å
262	P	83.2	Confident	89.6	Confident	13 Å²	13	46.6 Å²	46.6	8%	0.084	25%	0.25	C	S	.	.			trans	-62.7	135.5	176.9	-17.7	30	0	0	0	110.7	M239 D264 I265	M239-P262 HydrophobicContact SD-CG 4.26Å; P262-D264 VanDerWaalsContact CB-OD1 3.3Å; P262-D264 WeakPolarHBondContact CB-OD1 3.47Å; P262-D264 PolarHBondContact O-N 2.82Å; P262-I265 HydrophobicContact CB-CG2 4Å; P262-I265 HydrophobicContact CG-CG2 4.23Å; P262-I265 WeakPolarHBondContact O-CG1 3.4Å; P262-I265 WeakPolarHBondContact O-CG2 3.16Å; P262-I265 PolarHBondContact O-N 2.85Å
263	P	84.7	Confident	89.9	Confident	44 Å²	44	43 Å²	43	29%	0.286	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.3	-18.4	-172.7	29.1	-37.3	0	0	0	113.6	Y186 D285	Y186-P263 WeakPolarHBondContact OH-CD 3.25Å; Y186-P263 VanDerWaalsContact OH-CG 3.27Å; Y186-P263 WeakPolarHBondContact OH-CG 3.22Å; P263-D285 WeakPolarHBondContact CA-O 3Å; P263-D285 WeakPolarHBondContact CB-O 3.27Å
264	D	82.8	Confident	90.2	Very high	52 Å²	52	43.4 Å²	43.4	28%	0.278	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.5	9.8	-175.5	64.9	-33.6	0	0	0	113.8	Y154 R156 P262	Y154-D264 WeakPolarHBondContact CE2-OD2 2.86Å; Y154-D264 PolarHBondContact OH-OD2 3.24Å; R156-D264 IonicContact NH2-OD1 3.82Å; R156-D264 PolarHBondContact NH2-OD1 3.35Å; R156-D264 IonicContact NH2-OD2 3.21Å; R156-D264 PolarHBondContact NH2-OD2 2.88Å; R156-D264 VanDerWaalsContact NH2-OD2 3.1Å; P262-D264 VanDerWaalsContact CB-OD1 3.3Å; P262-D264 WeakPolarHBondContact CB-OD1 3.47Å; P262-D264 PolarHBondContact O-N 2.82Å
265	I	89.8	Confident	90.4	Very high	0 Å²	0	42.5 Å²	42.5	0%	0	23%	0.227	C	C	.	.			trans	-77.5	142.3	178.4	68.3	166	0	0	0	111.4	L247 I261 P262 L268 E288 L289	L247-I265 HydrophobicContact CB-CD1 3.93Å; L247-I265 HydrophobicContact CB-CG2 4.32Å; L247-I265 HydrophobicContact CD2-CD1 4.46Å; I261-I265 HydrophobicContact CG2-CD1 3.26Å; I261-I265 HydrophobicContact CG2-CG1 3.99Å; P262-I265 HydrophobicContact CB-CG2 4Å; P262-I265 HydrophobicContact CG-CG2 4.23Å; P262-I265 WeakPolarHBondContact O-CG1 3.4Å; P262-I265 WeakPolarHBondContact O-CG2 3.16Å; P262-I265 PolarHBondContact O-N 2.85Å; I265-L268 HydrophobicContact CD1-CB 3.92Å; I265-L268 HydrophobicContact CD1-CD1 4.22Å; I265-L268 HydrophobicContact CD1-CD2 4.39Å; I265-L268 HydrophobicContact CD1-CG 4.41Å; I265-E288 CarbonylContact O-C 3.58Å; I265-L289 HydrophobicContact CD1-CD1 3.89Å; I265-L289 HydrophobicContact CG1-CD1 3.92Å; I265-L289 WeakPolarHBondContact O-CA 3.27Å; I265-L289 PolarHBondContact O-N 3.25Å
266	V	94.1	Very high	90.6	Very high	37 Å²	37	43.4 Å²	43.4	22%	0.224	23%	0.226	C	C	.	.	S	Bend	trans	-101.5	-30.8	178.8	177.2	0	0	0	0	110.9	V244 P245 K290 I291	V244-V266 HydrophobicContact CG1-CB 3.59Å; V244-V266 HydrophobicContact CG1-CG1 3.58Å; V244-V266 HydrophobicContact CG1-CG2 4.31Å; P245-V266 HydrophobicContact CB-CG2 4.37Å; P245-V266 HydrophobicContact CG-CG2 4.33Å; P245-V266 PolarHBondContact O-N 2.98Å; V266-K290 HydrophobicContact CG1-CB 4Å; V266-K290 HydrophobicContact CG1-CD 3.93Å; V266-K290 HydrophobicContact CG1-CG 4.05Å; V266-K290 PolarHBondContact O-N 2.94Å; V266-I291 PolarHBondContact O-N 3.4Å; V266-I291 VanDerWaalsContact O-N 3.09Å
267	K	95.3	Very high	90.8	Very high	75 Å²	75	42 Å²	42	33%	0.326	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	135.1	178.7	-179.5	173.5	179.2	170.3	0	111.9	P245 T246 L247 I291	P245-K267 PolarHBondContact O-N 2.92Å; T246-K267 CarbonylContact C-O 3.38Å; T246-K267 VanDerWaalsContact CA-O 3.22Å; T246-K267 WeakPolarHBondContact CA-O 3.4Å; T246-K267 HydrophobicContact CG2-CB 3.96Å; T246-K267 HydrophobicContact CG2-CD 3.91Å; T246-K267 HydrophobicContact CG2-CG 3.84Å; L247-K267 PolarHBondContact N-O 2.92Å; K267-I291 CarbonylContact C-O 3.09Å; K267-I291 WeakPolarHBondContact CA-O 3.24Å; K267-I291 HydrophobicContact CB-CB 4.26Å; K267-I291 HydrophobicContact CD-CG2 4.35Å; K267-I291 HydrophobicContact CG-CB 4Å; K267-I291 HydrophobicContact CG-CG2 4.09Å
268	L	95.4	Very high	91	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	115.3	176	179.6	54.4	0	0	0	109.4	L247 I261 I265 L270 F283 L289 I291 L292 N293	L247-L268 HydrophobicContact CB-CD1 3.91Å; L247-L268 HydrophobicContact CD2-CD1 3.92Å; L247-L268 HydrophobicContact CG-CD1 4.08Å; L247-L268 WeakPolarHBondContact O-CA 3.16Å; I261-L268 HydrophobicContact CD1-CD2 3.88Å; I265-L268 HydrophobicContact CD1-CB 3.92Å; I265-L268 HydrophobicContact CD1-CD1 4.22Å; I265-L268 HydrophobicContact CD1-CD2 4.39Å; I265-L268 HydrophobicContact CD1-CG 4.41Å; L268-L270 HydrophobicContact CD1-CD1 4.38Å; L268-L270 HydrophobicContact CD1-CD2 4.49Å; L268-L270 HydrophobicContact CD1-CG 4.02Å; L268-L270 HydrophobicContact CD2-CD1 3.82Å; L268-L270 HydrophobicContact CD2-CG 4.35Å; L268-L270 HydrophobicContact CG-CD1 3.96Å; L268-L270 HydrophobicContact CG-CG 3.96Å; L268-F283 HydrophobicContact CD2-CD1 4.45Å; L268-F283 HydrophobicContact CD2-CE1 3.92Å; L268-L289 HydrophobicContact CB-CD1 3.6Å; L268-L289 HydrophobicContact CB-CD2 4.11Å; L268-L289 HydrophobicContact CD2-CD2 4.39Å; L268-I291 PolarHBondContact N-O 3.45Å; L268-L292 HydrophobicContact CB-CD1 4.02Å; L268-L292 HydrophobicContact CD2-CD1 3.88Å; L268-L292 HydrophobicContact CG-CD1 3.92Å; L268-N293 PolarHBondContact O-N 2.99Å
269	D	96.4	Very high	91.3	Very high	19 Å²	19	46.6 Å²	46.6	10%	0.102	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	99.6	175.2	-174	-10	0	0	0	109.9	L247 C249 K250 S271	L247-D269 PolarHBondContact O-N 3.42Å; C249-D269 CarbonylContact C-O 3.54Å; C249-D269 VanDerWaalsContact CA-O 3.31Å; C249-D269 WeakPolarHBondContact CA-O 3.31Å; C249-D269 WeakPolarHBondContact CB-O 3.3Å; C249-D269 PolarHBondContact N-O 3.18Å; K250-D269 PolarHBondContact N-O 2.79Å; D269-S271 WeakPolarHBondContact OD1-CB 3.32Å; D269-S271 PolarHBondContact OD1-N 3.11Å; D269-S271 PolarHBondContact OD1-OG 2.6Å
270	L	95.9	Very high	91.8	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	22%	0.224	C	C	.	.			trans	-101.5	15.7	173.1	-72.4	165.5	0	0	0	111.6	C249 L254 V257 P258 L268 N273 I275 F283 L292 N293 L294 N297	C249-L270 HydrophobicContact CB-CD2 3.59Å; C249-L270 HydrophobicContact CB-CG 4.45Å; L254-L270 HydrophobicContact CD1-CD2 3.88Å; V257-L270 HydrophobicContact CG1-CD1 4.27Å; V257-L270 HydrophobicContact CG2-CD1 4.33Å; P258-L270 HydrophobicContact CG-CD2 4.31Å; L268-L270 HydrophobicContact CD1-CD1 4.38Å; L268-L270 HydrophobicContact CD1-CD2 4.49Å; L268-L270 HydrophobicContact CD1-CG 4.02Å; L268-L270 HydrophobicContact CD2-CD1 3.82Å; L268-L270 HydrophobicContact CD2-CG 4.35Å; L268-L270 HydrophobicContact CG-CD1 3.96Å; L268-L270 HydrophobicContact CG-CG 3.96Å; L270-N273 PolarHBondContact O-ND2 2.95Å; L270-I275 HydrophobicContact CB-CD1 4.23Å; L270-I275 HydrophobicContact CD1-CD1 4.42Å; L270-I275 HydrophobicContact CD2-CD1 4.27Å; L270-F283 HydrophobicContact CD1-CE1 4.42Å; L270-L292 HydrophobicContact CD1-CD1 4.34Å; L270-N293 CarbonylContact C-O 3.43Å; L270-N293 WeakPolarHBondContact CA-O 3.22Å; L270-N293 PolarHBondContact N-O 3.07Å; L270-L294 HydrophobicContact CB-CD2 3.84Å; L270-L294 HydrophobicContact CD1-CD2 3.92Å; L270-N297 PolarHBondContact O-ND2 2.97Å
271	S	97.5	Very high	92.3	Very high	2 Å²	2	48 Å²	48	1%	0.014	22%	0.224	C	C	.	.			trans	-66.4	157	-174.1	71	0	0	0	0	113.2	K250 R251 D269 N273 N293 N295	K250-S271 VanDerWaalsContact CA-O 3.31Å; K250-S271 WeakPolarHBondContact CA-O 3.42Å; K250-S271 WeakPolarHBondContact CD-OG 3.41Å; K250-S271 WeakPolarHBondContact CG-OG 3.49Å; R251-S271 PolarHBondContact N-O 3.38Å; D269-S271 WeakPolarHBondContact OD1-CB 3.32Å; D269-S271 PolarHBondContact OD1-N 3.11Å; D269-S271 PolarHBondContact OD1-OG 2.6Å; S271-N273 VanDerWaalsContact C-N 3.32Å; S271-N273 PolarHBondContact O-N 2.94Å; S271-N273 PolarHBondContact O-ND2 2.83Å; S271-N293 VanDerWaalsContact CB-OD1 3.32Å; S271-N293 WeakPolarHBondContact CB-OD1 3.13Å; S271-N293 PolarHBondContact N-O 3.25Å; S271-N295 CarbonylContact C-O 3.51Å; S271-N295 WeakPolarHBondContact CA-O 3.48Å; S271-N295 WeakPolarHBondContact CB-O 3.43Å
272	N	96.7	Very high	92.4	Very high	51 Å²	51	49.1 Å²	49.1	27%	0.273	23%	0.228	S	C	.	.	S	Bend	trans	57.4	43.1	176.3	-60.8	-117.4	0	0	0	112.3	K250 R251 N295 S296	K250-N272 WeakPolarHBondContact CE-ND2 3.35Å; K250-N272 HydrophobicContact CG-CB 4.4Å; R251-N272 VanDerWaalsContact CA-O 3.28Å; R251-N272 WeakPolarHBondContact CA-O 3.41Å; R251-N272 HydrophobicContact CG-CB 3.49Å; R251-N272 VanDerWaalsContact CG-CB 3.49Å; R251-N272 PolarHBondContact N-O 3.32Å; N272-N295 PolarHBondContact N-O 3.19Å; N272-S296 WeakPolarHBondContact CA-O 3.38Å; N272-S296 PolarHBondContact N-O 3.26Å
273	N	95.6	Very high	92.8	Very high	10 Å²	10	48.6 Å²	48.6	5%	0.053	23%	0.225	C	C	.	.	S	Bend	trans	-114.8	-159.8	173.5	-76.6	-64.4	0	0	0	109.9	C249 K252 D253 L254 L270 S271 I275 S296 N297	C249-N273 PolarHBondContact O-ND2 3.4Å; K252-N273 WeakPolarHBondContact CA-OD1 3.3Å; K252-N273 PolarHBondContact N-OD1 3.13Å; D253-N273 PolarHBondContact N-OD1 3.29Å; L254-N273 HydrophobicContact CB-CB 4.05Å; L254-N273 PolarHBondContact N-OD1 2.81Å; L254-N273 VanDerWaalsContact N-OD1 3.07Å; L270-N273 PolarHBondContact O-ND2 2.95Å; S271-N273 VanDerWaalsContact C-N 3.32Å; S271-N273 PolarHBondContact O-N 2.94Å; S271-N273 PolarHBondContact O-ND2 2.83Å; N273-I275 HydrophobicContact CB-CD1 4.5Å; N273-I275 HydrophobicContact CB-CG1 4.3Å; N273-S296 PolarHBondContact N-O 2.81Å; N273-N297 WeakPolarHBondContact CA-OD1 3.5Å; N273-N297 WeakPolarHBondContact CB-OD1 3.32Å; N273-N297 PolarHBondContact N-OD1 2.95Å
274	K	95.6	Very high	92.9	Very high	112 Å²	112	51.3 Å²	51.3	49%	0.487	23%	0.233	S	C	.	.			trans	-126.5	33.1	-176	-67.2	171.7	174.3	155.7	0	110.9	D253 L254 R276 N297	D253-K274 VanDerWaalsContact OD1-CE 3.31Å; D253-K274 WeakPolarHBondContact OD1-CE 3.37Å; D253-K274 IonicContact OD1-NZ 2.82Å; D253-K274 PolarHBondContact OD1-NZ 2.92Å; L254-K274 CarbonylContact O-C 3.48Å; L254-K274 VanDerWaalsContact O-CA 3.26Å; L254-K274 WeakPolarHBondContact O-CA 3.17Å; L254-K274 PolarHBondContact O-N 3.45Å; K274-R276 PolarHBondContact O-N 3.34Å; K274-N297 CarbonylContact C-O 3.59Å; K274-N297 PolarHBondContact N-OD1 2.65Å
275	I	95.7	Very high	93	Very high	0 Å²	0	55 Å²	55	0%	0	25%	0.253	C	S	.	.			trans	-77.8	105.3	179.9	-54.3	172.3	0	0	0	107.6	L254 V257 L270 N273 L278 L294 N297 L299	L254-I275 HydrophobicContact CB-CG1 4.49Å; L254-I275 PolarHBondContact O-N 2.88Å; V257-I275 HydrophobicContact CG2-CD1 4.48Å; L270-I275 HydrophobicContact CB-CD1 4.23Å; L270-I275 HydrophobicContact CD1-CD1 4.42Å; L270-I275 HydrophobicContact CD2-CD1 4.27Å; N273-I275 HydrophobicContact CB-CD1 4.5Å; N273-I275 HydrophobicContact CB-CG1 4.3Å; I275-L278 HydrophobicContact CG2-CD2 3.89Å; I275-L294 HydrophobicContact CD1-CD2 4.32Å; I275-N297 HydrophobicContact CB-CB 4.24Å; I275-N297 WeakPolarHBondContact CB-OD1 3.47Å; I275-N297 WeakPolarHBondContact CG1-OD1 3.31Å; I275-N297 PolarHBondContact N-O 2.81Å; I275-N297 PolarHBondContact N-OD1 2.9Å; I275-N297 WeakPolarHBondContact O-CB 3.46Å; I275-L299 HydrophobicContact CG2-CD2 4.07Å; I275-L299 WeakPolarHBondContact O-CD2 3.22Å; I275-L299 VanDerWaalsContact O-CG 3.32Å; I275-L299 WeakPolarHBondContact O-CG 3.48Å
276	R	95.7	Very high	93	Very high	184 Å²	184	55.2 Å²	55.2	69%	0.694	25%	0.254	S	S	*	.			trans	-89	-23.6	-175.8	-67.1	-174.2	177.8	-166.2	-2.9	114.1	K274 L299 T300	K274-R276 PolarHBondContact O-N 3.34Å; R276-L299 WeakPolarHBondContact O-CA 3.38Å; R276-T300 PolarHBondContact O-N 3.2Å; R276-T300 PolarHBondContact O-OG1 2.96Å
277	Q	95.7	Very high	92.8	Very high	69 Å²	69	55.6 Å²	55.6	32%	0.322	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	138.4	-178.4	178.8	179.9	3.9	0	0	109.1	R279 Y301 D303	Q277-R279 HydrophobicContact CG-CG 4.31Å; Q277-Y301 VanDerWaalsContact CA-O 3.31Å; Q277-Y301 WeakPolarHBondContact CA-O 3.4Å; Q277-Y301 HydrophobicContact CG-CD1 4.03Å; Q277-D303 PolarHBondContact NE2-OD1 2.86Å
278	L	96.1	Very high	92.6	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	134.4	165.2	-60.2	178.3	0	0	0	109.3	V257 I275 E282 L294 L299 Y301 I302 D303 A306 F307	V257-L278 HydrophobicContact CG2-CD2 3.88Å; I275-L278 HydrophobicContact CG2-CD2 3.89Å; L278-E282 WeakPolarHBondContact CA-OE2 3.42Å; L278-L294 HydrophobicContact CD1-CD1 3.69Å; L278-L294 HydrophobicContact CD2-CD1 4.35Å; L278-L294 HydrophobicContact CD2-CD2 4.23Å; L278-L299 HydrophobicContact CD1-CD1 4.35Å; L278-L299 HydrophobicContact CD2-CD2 4.12Å; L278-L299 HydrophobicContact CG-CD1 4.41Å; L278-L299 HydrophobicContact CG-CD2 3.78Å; L278-Y301 PolarHBondContact N-O 2.94Å; L278-I302 HydrophobicContact CB-CG1 4.37Å; L278-I302 HydrophobicContact CB-CG2 4.19Å; L278-I302 HydrophobicContact CD1-CD1 4.29Å; L278-I302 HydrophobicContact CD1-CG1 4.01Å; L278-I302 HydrophobicContact CD1-CG2 4.3Å; L278-I302 HydrophobicContact CG-CG1 4.3Å; L278-D303 PolarHBondContact O-N 3.5Å; L278-A306 HydrophobicContact CB-CB 3.98Å; L278-F307 HydrophobicContact CD1-CE1 3.54Å; L278-F307 HydrophobicContact CD1-CZ 3.61Å
279	R	92.7	Very high	92.7	Very high	118 Å²	118	56.7 Å²	56.7	45%	0.445	27%	0.265	S	S	.	.			trans	-110.4	159.1	-176.9	-64.2	-178.9	-179.5	-172.2	-5	111.5	Q277 E282 D303	Q277-R279 HydrophobicContact CG-CG 4.31Å; R279-E282 HydrophobicContact CB-CG 4.11Å; R279-E282 PolarHBondContact N-OE2 2.97Å; R279-E282 WeakPolarHBondContact O-CG 3.2Å; R279-E282 PolarHBondContact O-N 2.83Å; R279-D303 WeakPolarHBondContact CA-OD2 3.48Å
280	V	89.9	Confident	92.7	Very high	73 Å²	73	59.7 Å²	59.7	44%	0.442	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.6	143.7	172.4	-159.5	0	0	0	0	110.2	E282 D303 A305	V280-E282 VanDerWaalsContact C-N 3.26Å; V280-E282 PolarHBondContact O-N 2.87Å; V280-D303 HydrophobicContact CG2-CB 3.94Å; V280-A305 HydrophobicContact CG1-CB 4.5Å
281	K	83.8	Confident	92.8	Very high	134 Å²	134	62 Å²	62	58%	0.583	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	5.7	177.2	-51.1	-174.8	165.1	-141.5	0	116.7	F283 E284	K281-F283 PolarHBondContact O-N 3.23Å; K281-E284 HydrophobicContact CB-CB 4.32Å; K281-E284 WeakPolarHBondContact CB-OE2 3.41Å; K281-E284 VanDerWaalsContact CD-OE2 3.32Å; K281-E284 WeakPolarHBondContact CD-OE2 3.44Å; K281-E284 WeakPolarHBondContact CG-OE2 3.41Å; K281-E284 IonicContact NZ-OE1 2.75Å; K281-E284 IonicContact NZ-OE2 2.7Å; K281-E284 PolarHBondContact O-N 2.87Å
282	E	88.4	Confident	92.8	Very high	39 Å²	39	62 Å²	62	18%	0.182	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-18.2	176.2	-72.6	-174	144.2	0	0	113.2	V257 L278 R279 V280	V257-E282 HydrophobicContact CB-CB 4.1Å; V257-E282 HydrophobicContact CB-CG 4.27Å; V257-E282 HydrophobicContact CG1-CB 4.29Å; V257-E282 HydrophobicContact CG2-CB 4.22Å; V257-E282 HydrophobicContact CG2-CG 4.47Å; V257-E282 WeakPolarHBondContact CG2-OE2 3.46Å; L278-E282 WeakPolarHBondContact CA-OE2 3.42Å; R279-E282 HydrophobicContact CB-CG 4.11Å; R279-E282 PolarHBondContact N-OE2 2.97Å; R279-E282 WeakPolarHBondContact O-CG 3.2Å; R279-E282 PolarHBondContact O-N 2.83Å; V280-E282 VanDerWaalsContact C-N 3.26Å; V280-E282 PolarHBondContact O-N 2.87Å
283	F	91.7	Very high	92.9	Very high	1 Å²	1	61 Å²	61	0%	0.004	28%	0.284	C	S	.	.	T	Hydrogen-bonded Turn	trans	-125.9	18.1	-179.6	-55.8	-69	0	0	0	114.1	V257 L268 L270 K281 D285 V286 L292 A306 F307 L310	V257-F283 HydrophobicContact CG1-CD1 4.48Å; V257-F283 HydrophobicContact CG1-CE1 3.81Å; V257-F283 HydrophobicContact CG1-CZ 4.13Å; V257-F283 HydrophobicContact CG2-CE1 4.38Å; V257-F283 HydrophobicContact CG2-CZ 3.85Å; L268-F283 HydrophobicContact CD2-CD1 4.45Å; L268-F283 HydrophobicContact CD2-CE1 3.92Å; L270-F283 HydrophobicContact CD1-CE1 4.42Å; K281-F283 PolarHBondContact O-N 3.23Å; F283-D285 VanDerWaalsContact C-N 3.27Å; F283-D285 PolarHBondContact O-N 3.46Å; F283-V286 HydrophobicContact CB-CG2 3.74Å; F283-V286 HydrophobicContact CD1-CG2 4.06Å; F283-V286 HydrophobicContact CG-CG2 4.4Å; F283-V286 VanDerWaalsContact O-CG2 3.25Å; F283-V286 WeakPolarHBondContact O-CG2 3Å; F283-V286 PolarHBondContact O-N 2.75Å; F283-L292 HydrophobicContact CE1-CD1 4.29Å; F283-L292 HydrophobicContact CE1-CD2 4.21Å; F283-L292 HydrophobicContact CE2-CD2 4.22Å; F283-L292 HydrophobicContact CZ-CD1 4.42Å; F283-L292 HydrophobicContact CZ-CD2 3.93Å; F283-A306 WeakPolarHBondContact CD2-O 3.47Å; F283-F307 HydrophobicContact CD2-CD1 4.27Å; F283-F307 HydrophobicContact CE2-CD1 4.2Å; F283-F307 HydrophobicContact CE2-CE1 4.35Å; F283-L310 HydrophobicContact CB-CD1 4.09Å; F283-L310 HydrophobicContact CB-CD2 3.69Å; F283-L310 HydrophobicContact CB-CG 3.71Å; F283-L310 HydrophobicContact CD1-CD2 4.48Å; F283-L310 HydrophobicContact CD2-CD1 4.04Å; F283-L310 HydrophobicContact CG-CD1 3.98Å; F283-L310 HydrophobicContact CG-CD2 4.18Å; F283-L310 HydrophobicContact CG-CG 4.17Å
284	E	86.7	Confident	93	Very high	101 Å²	101	60.6 Å²	60.6	47%	0.472	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-37	-172.8	-168.7	168.9	-159.3	0	0	112.6	K281	K281-E284 HydrophobicContact CB-CB 4.32Å; K281-E284 WeakPolarHBondContact CB-OE2 3.41Å; K281-E284 VanDerWaalsContact CD-OE2 3.32Å; K281-E284 WeakPolarHBondContact CD-OE2 3.44Å; K281-E284 WeakPolarHBondContact CG-OE2 3.41Å; K281-E284 IonicContact NZ-OE1 2.75Å; K281-E284 IonicContact NZ-OE2 2.7Å; K281-E284 PolarHBondContact O-N 2.87Å
285	D	83.9	Confident	93.1	Very high	130 Å²	130	56.9 Å²	56.9	70%	0.695	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.1	5.5	-173.4	-67.5	-38.9	0	0	0	115	P263 F283	P263-D285 WeakPolarHBondContact CA-O 3Å; P263-D285 WeakPolarHBondContact CB-O 3.27Å; F283-D285 VanDerWaalsContact C-N 3.27Å; F283-D285 PolarHBondContact O-N 3.46Å
286	V	90	Very high	93.2	Very high	4 Å²	4	58.2 Å²	58.2	2%	0.024	28%	0.276	C	S	.	.			trans	-114	53.5	-173.2	-68.4	0	0	0	0	113.1	I261 F283 E288 L289 L310	I261-V286 HydrophobicContact CB-CG1 3.84Å; I261-V286 HydrophobicContact CG2-CG1 3.5Å; I261-V286 VanDerWaalsContact CG2-CG1 3.5Å; F283-V286 HydrophobicContact CB-CG2 3.74Å; F283-V286 HydrophobicContact CD1-CG2 4.06Å; F283-V286 HydrophobicContact CG-CG2 4.4Å; F283-V286 VanDerWaalsContact O-CG2 3.25Å; F283-V286 WeakPolarHBondContact O-CG2 3Å; F283-V286 PolarHBondContact O-N 2.75Å; V286-E288 VanDerWaalsContact C-N 3.26Å; V286-E288 PolarHBondContact O-N 3.46Å; V286-L289 VanDerWaalsContact O-CB 3.26Å; V286-L289 WeakPolarHBondContact O-CB 3.48Å; V286-L289 PolarHBondContact O-N 3.49Å; V286-L310 HydrophobicContact CG2-CD2 3.79Å
287	S	89.3	Confident	93.3	Very high	45 Å²	45	49.8 Å²	49.8	32%	0.315	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-23.2	-175.3	60.1	0	0	0	0	115.2	L289 G309 N312	S287-L289 VanDerWaalsContact C-N 3.25Å; S287-L289 PolarHBondContact O-N 3.07Å; S287-G309 WeakPolarHBondContact CA-O 3.49Å; S287-N312 WeakPolarHBondContact O-CB 3.25Å; S287-N312 PolarHBondContact O-ND2 2.85Å
288	E	92.9	Very high	93.3	Very high	98 Å²	98	47.9 Å²	47.9	46%	0.458	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-4	179.5	-61.2	-56.6	131.9	0	0	113.4	I265 V286 K290	I265-E288 CarbonylContact O-C 3.58Å; V286-E288 VanDerWaalsContact C-N 3.26Å; V286-E288 PolarHBondContact O-N 3.46Å; E288-K290 PolarHBondContact O-N 3.31Å
289	L	95.9	Very high	93.4	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.244	C	C	.	.			trans	-68.8	123.5	-175.2	-169.4	73.4	0	0	0	111.2	I265 L268 V286 S287 L292 L310 N312 L313	I265-L289 HydrophobicContact CD1-CD1 3.89Å; I265-L289 HydrophobicContact CG1-CD1 3.92Å; I265-L289 WeakPolarHBondContact O-CA 3.27Å; I265-L289 PolarHBondContact O-N 3.25Å; L268-L289 HydrophobicContact CB-CD1 3.6Å; L268-L289 HydrophobicContact CB-CD2 4.11Å; L268-L289 HydrophobicContact CD2-CD2 4.39Å; V286-L289 VanDerWaalsContact O-CB 3.26Å; V286-L289 WeakPolarHBondContact O-CB 3.48Å; V286-L289 PolarHBondContact O-N 3.49Å; S287-L289 VanDerWaalsContact C-N 3.25Å; S287-L289 PolarHBondContact O-N 3.07Å; L289-L292 HydrophobicContact CD2-CB 4.01Å; L289-L292 HydrophobicContact CD2-CD1 4.31Å; L289-L310 HydrophobicContact CB-CD2 3.98Å; L289-L310 HydrophobicContact CD2-CD2 3.62Å; L289-L310 HydrophobicContact CG-CD2 4.38Å; L289-N312 CarbonylContact O-C 3.54Å; L289-L313 HydrophobicContact CD2-CD1 4.19Å; L289-L313 HydrophobicContact CG-CD1 4.19Å; L289-L313 WeakPolarHBondContact O-CA 3.4Å; L289-L313 PolarHBondContact O-N 3.2Å
290	K	97	Very high	93.6	Very high	82 Å²	82	46.3 Å²	46.3	36%	0.357	25%	0.247	S	C	.	.			trans	-105.5	-31.1	178.3	-65.5	-173.5	170.1	-131.5	0	113.5	V266 E288 E314 E315	V266-K290 HydrophobicContact CG1-CB 4Å; V266-K290 HydrophobicContact CG1-CD 3.93Å; V266-K290 HydrophobicContact CG1-CG 4.05Å; V266-K290 PolarHBondContact O-N 2.94Å; E288-K290 PolarHBondContact O-N 3.31Å; K290-E314 HydrophobicContact CB-CG 4.4Å; K290-E314 WeakPolarHBondContact CD-OE1 3.22Å; K290-E314 IonicContact NZ-OE1 3.57Å; K290-E314 PolarHBondContact NZ-OE1 3.32Å; K290-E314 PolarHBondContact O-N 3.32Å; K290-E315 PolarHBondContact O-N 3.2Å
291	I	98	Very high	93.9	Very high	50 Å²	50	46.8 Å²	46.8	26%	0.256	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	116.4	-175.1	-55.2	176.8	0	0	0	109.2	V266 K267 L268 E315	V266-I291 PolarHBondContact O-N 3.4Å; V266-I291 VanDerWaalsContact O-N 3.09Å; K267-I291 CarbonylContact C-O 3.09Å; K267-I291 WeakPolarHBondContact CA-O 3.24Å; K267-I291 HydrophobicContact CB-CB 4.26Å; K267-I291 HydrophobicContact CD-CG2 4.35Å; K267-I291 HydrophobicContact CG-CB 4Å; K267-I291 HydrophobicContact CG-CG2 4.09Å; L268-I291 PolarHBondContact N-O 3.45Å; I291-E315 WeakPolarHBondContact CA-O 3.13Å; I291-E315 HydrophobicContact CG1-CB 4.27Å; I291-E315 HydrophobicContact CG2-CB 4.31Å; I291-E315 HydrophobicContact CG2-CG 4.41Å
292	L	98	Very high	94.5	Very high	1 Å²	1	40.7 Å²	40.7	1%	0.005	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	118.6	175.7	177.8	55.1	0	0	0	110.2	L268 L270 F283 L289 L294 F307 L310 L313 E315 L316 D317	L268-L292 HydrophobicContact CB-CD1 4.02Å; L268-L292 HydrophobicContact CD2-CD1 3.88Å; L268-L292 HydrophobicContact CG-CD1 3.92Å; L270-L292 HydrophobicContact CD1-CD1 4.34Å; F283-L292 HydrophobicContact CE1-CD1 4.29Å; F283-L292 HydrophobicContact CE1-CD2 4.21Å; F283-L292 HydrophobicContact CE2-CD2 4.22Å; F283-L292 HydrophobicContact CZ-CD1 4.42Å; F283-L292 HydrophobicContact CZ-CD2 3.93Å; L289-L292 HydrophobicContact CD2-CB 4.01Å; L289-L292 HydrophobicContact CD2-CD1 4.31Å; L292-L294 HydrophobicContact CD1-CD1 4.25Å; L292-L294 HydrophobicContact CD1-CG 4.11Å; L292-L294 HydrophobicContact CD2-CD1 3.78Å; L292-L294 HydrophobicContact CG-CD1 3.89Å; L292-L294 HydrophobicContact CG-CG 4.12Å; L292-F307 HydrophobicContact CD2-CD1 4.34Å; L292-F307 HydrophobicContact CD2-CE1 4.14Å; L292-L310 HydrophobicContact CD2-CD1 3.73Å; L292-L313 HydrophobicContact CB-CD1 3.73Å; L292-L313 HydrophobicContact CB-CD2 4.44Å; L292-E315 PolarHBondContact N-O 2.58Å; L292-L316 HydrophobicContact CB-CD1 4.06Å; L292-L316 HydrophobicContact CD2-CD1 3.94Å; L292-L316 HydrophobicContact CG-CD1 3.93Å; L292-L316 WeakPolarHBondContact O-CA 3.4Å; L292-D317 PolarHBondContact O-N 3.22Å
293	N	98.2	Very high	94.9	Very high	31 Å²	31	40.1 Å²	40.1	17%	0.166	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	114.7	175.2	-165.1	-42	0	0	0	111.6	L268 L270 S271 N295 D317	L268-N293 PolarHBondContact O-N 2.99Å; L270-N293 CarbonylContact C-O 3.43Å; L270-N293 WeakPolarHBondContact CA-O 3.22Å; L270-N293 PolarHBondContact N-O 3.07Å; S271-N293 VanDerWaalsContact CB-OD1 3.32Å; S271-N293 WeakPolarHBondContact CB-OD1 3.13Å; S271-N293 PolarHBondContact N-O 3.25Å; N293-N295 WeakPolarHBondContact OD1-CB 3.44Å; N293-N295 PolarHBondContact OD1-N 3.34Å; N293-D317 HydrophobicContact CB-CB 4.39Å; N293-D317 PolarHBondContact ND2-OD2 2.85Å; N293-D317 PolarHBondContact OD1-OD2 2.77Å
294	L	98	Very high	95	Very high	0 Å²	0	42.4 Å²	42.4	0%	0	23%	0.229	C	C	.	.			trans	-120	18.4	178.6	-76.7	161.8	0	0	0	112.2	L270 I275 L278 L292 N297 L299 F307 L316 D317 L318 N321	L270-L294 HydrophobicContact CB-CD2 3.84Å; L270-L294 HydrophobicContact CD1-CD2 3.92Å; I275-L294 HydrophobicContact CD1-CD2 4.32Å; L278-L294 HydrophobicContact CD1-CD1 3.69Å; L278-L294 HydrophobicContact CD2-CD1 4.35Å; L278-L294 HydrophobicContact CD2-CD2 4.23Å; L292-L294 HydrophobicContact CD1-CD1 4.25Å; L292-L294 HydrophobicContact CD1-CG 4.11Å; L292-L294 HydrophobicContact CD2-CD1 3.78Å; L292-L294 HydrophobicContact CG-CD1 3.89Å; L292-L294 HydrophobicContact CG-CG 4.12Å; L294-N297 VanDerWaalsContact C-ND2 3.32Å; L294-N297 PolarHBondContact O-ND2 3.3Å; L294-L299 HydrophobicContact CB-CD1 4.17Å; L294-F307 HydrophobicContact CD1-CE1 4.21Å; L294-L316 HydrophobicContact CD1-CD1 4.37Å; L294-D317 CarbonylContact C-O 3.52Å; L294-D317 WeakPolarHBondContact CA-O 3.32Å; L294-D317 PolarHBondContact N-O 3.33Å; L294-L318 HydrophobicContact CB-CD2 3.98Å; L294-L318 HydrophobicContact CD1-CD2 4.07Å; L294-N321 PolarHBondContact O-ND2 3.3Å
295	N	97.9	Very high	95.2	Very high	35 Å²	35	39.2 Å²	39.2	19%	0.187	22%	0.22	C	C	.	.			trans	-56.8	143	179.3	174.9	-34.9	0	0	0	112.7	S271 N272 N293 N297 D317 S319	S271-N295 CarbonylContact C-O 3.51Å; S271-N295 WeakPolarHBondContact CA-O 3.48Å; S271-N295 WeakPolarHBondContact CB-O 3.43Å; N272-N295 PolarHBondContact N-O 3.19Å; N293-N295 WeakPolarHBondContact OD1-CB 3.44Å; N293-N295 PolarHBondContact OD1-N 3.34Å; N295-N297 PolarHBondContact O-N 3.34Å; N295-N297 PolarHBondContact O-ND2 2.92Å; N295-D317 WeakPolarHBondContact CB-OD2 3.33Å; N295-D317 PolarHBondContact N-O 3.24Å; N295-D317 PolarHBondContact ND2-OD2 3.2Å; N295-S319 VanDerWaalsContact CA-O 3.22Å; N295-S319 WeakPolarHBondContact CA-O 3.03Å; N295-S319 PolarHBondContact ND2-OG 3.35Å
296	S	97.9	Very high	95.7	Very high	28 Å²	28	33 Å²	33	20%	0.196	19%	0.187	C	C	.	.	S	Bend	trans	58.2	47.2	172.7	-58.7	0	0	0	0	113.1	N272 N273 S319 N320	N272-S296 WeakPolarHBondContact CA-O 3.38Å; N272-S296 PolarHBondContact N-O 3.26Å; N273-S296 PolarHBondContact N-O 2.81Å; S296-S319 PolarHBondContact N-O 3.39Å; S296-S319 VanDerWaalsContact N-O 3.11Å; S296-N320 WeakPolarHBondContact CA-O 3.37Å; S296-N320 PolarHBondContact N-O 2.81Å; S296-N320 PolarHBondContact OG-ND2 3.26Å
297	N	97.4	Very high	95.9	Very high	7 Å²	7	32.9 Å²	32.9	4%	0.037	19%	0.186	C	C	.	.	S	Bend	trans	-106.8	-17	177.8	-93.3	-75.7	0	0	0	114	L270 N273 K274 I275 L294 N295 L299 N321	L270-N297 PolarHBondContact O-ND2 2.97Å; N273-N297 WeakPolarHBondContact CA-OD1 3.5Å; N273-N297 WeakPolarHBondContact CB-OD1 3.32Å; N273-N297 PolarHBondContact N-OD1 2.95Å; K274-N297 CarbonylContact C-O 3.59Å; K274-N297 PolarHBondContact N-OD1 2.65Å; I275-N297 HydrophobicContact CB-CB 4.24Å; I275-N297 WeakPolarHBondContact CB-OD1 3.47Å; I275-N297 WeakPolarHBondContact CG1-OD1 3.31Å; I275-N297 PolarHBondContact N-O 2.81Å; I275-N297 PolarHBondContact N-OD1 2.9Å; I275-N297 WeakPolarHBondContact O-CB 3.46Å; L294-N297 VanDerWaalsContact C-ND2 3.32Å; L294-N297 PolarHBondContact O-ND2 3.3Å; N295-N297 PolarHBondContact O-N 3.34Å; N295-N297 PolarHBondContact O-ND2 2.92Å; N297-L299 VanDerWaalsContact C-N 3.33Å; N297-L299 HydrophobicContact CB-CG 4.1Å; N297-N321 WeakPolarHBondContact CA-OD1 3.05Å; N297-N321 WeakPolarHBondContact CB-OD1 3.49Å; N297-N321 PolarHBondContact N-OD1 3.45Å
298	G	96.8	Very high	95.9	Very high	28 Å²	28	33 Å²	33	29%	0.289	19%	0.186	S	C	.	.			trans	70.4	33	-170.3	0	0	0	0	0	112	T300 N321	G298-T300 PolarHBondContact O-N 3.05Å; G298-N321 PolarHBondContact N-OD1 2.94Å
299	L	97.9	Very high	95.6	Very high	0 Å²	0	29.1 Å²	29.1	0%	0	17%	0.173	C	C	.	.			trans	-59.3	125.1	173.3	-76.2	167.7	0	0	0	109.6	I275 R276 L278 L294 N297 L318 N321 S322 L323	I275-L299 HydrophobicContact CG2-CD2 4.07Å; I275-L299 WeakPolarHBondContact O-CD2 3.22Å; I275-L299 VanDerWaalsContact O-CG 3.32Å; I275-L299 WeakPolarHBondContact O-CG 3.48Å; R276-L299 WeakPolarHBondContact O-CA 3.38Å; L278-L299 HydrophobicContact CD1-CD1 4.35Å; L278-L299 HydrophobicContact CD2-CD2 4.12Å; L278-L299 HydrophobicContact CG-CD1 4.41Å; L278-L299 HydrophobicContact CG-CD2 3.78Å; L294-L299 HydrophobicContact CB-CD1 4.17Å; N297-L299 VanDerWaalsContact C-N 3.33Å; N297-L299 HydrophobicContact CB-CG 4.1Å; L299-L318 HydrophobicContact CD1-CD2 3.8Å; L299-N321 HydrophobicContact CB-CB 4Å; L299-N321 PolarHBondContact N-OD1 2.93Å; L299-S322 CarbonylContact O-C 3.54Å; L299-S322 VanDerWaalsContact O-CA 3.22Å; L299-S322 WeakPolarHBondContact O-CA 3.44Å; L299-S322 WeakPolarHBondContact O-CB 3.45Å; L299-S322 PolarHBondContact O-N 2.93Å; L299-L323 HydrophobicContact CB-CD2 4.24Å; L299-L323 HydrophobicContact CB-CG 4.32Å; L299-L323 PolarHBondContact O-N 2.81Å
300	T	96.7	Very high	95.5	Very high	86 Å²	86	29.2 Å²	29.2	53%	0.528	17%	0.173	S	C	.	.			trans	-107.4	-25.2	175.6	52.8	0	0	0	0	112.3	R276 G298	R276-T300 PolarHBondContact O-N 3.2Å; R276-T300 PolarHBondContact O-OG1 2.96Å; G298-T300 PolarHBondContact O-N 3.05Å
301	Y	95.3	Very high	95.1	Very high	83 Å²	83	29.2 Å²	29.2	33%	0.325	18%	0.176	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	144	-173	-174.4	-109.7	0	0	0	110.7	Q277 L278 D303 E327	Q277-Y301 VanDerWaalsContact CA-O 3.31Å; Q277-Y301 WeakPolarHBondContact CA-O 3.4Å; Q277-Y301 HydrophobicContact CG-CD1 4.03Å; L278-Y301 PolarHBondContact N-O 2.94Å; Y301-D303 WeakPolarHBondContact CD1-OD1 3.46Å; Y301-D303 WeakPolarHBondContact CE1-OD1 3.32Å; Y301-E327 HydrophobicContact CE2-CG 4.13Å; Y301-E327 WeakPolarHBondContact CE2-OE1 3.38Å; Y301-E327 PolarHBondContact OH-OE1 3.17Å; Y301-E327 PolarHBondContact OH-OE2 3.15Å; Y301-E327 VanDerWaalsContact OH-OE2 3.06Å
302	I	97.1	Very high	95	Very high	6 Å²	6	29.3 Å²	29.3	3%	0.031	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	120.1	175.2	-64.8	167.1	0	0	0	105.8	L278 A306 F307 L318 L323 F326 V330	L278-I302 HydrophobicContact CB-CG1 4.37Å; L278-I302 HydrophobicContact CB-CG2 4.19Å; L278-I302 HydrophobicContact CD1-CD1 4.29Å; L278-I302 HydrophobicContact CD1-CG1 4.01Å; L278-I302 HydrophobicContact CD1-CG2 4.3Å; L278-I302 HydrophobicContact CG-CG1 4.3Å; I302-A306 HydrophobicContact CG2-CB 3.67Å; I302-F307 HydrophobicContact CD1-CE2 4.36Å; I302-F307 HydrophobicContact CD1-CZ 4.19Å; I302-F307 HydrophobicContact CG2-CE2 3.98Å; I302-F307 HydrophobicContact CG2-CZ 4.25Å; I302-L318 HydrophobicContact CD1-CD1 4.12Å; I302-L318 HydrophobicContact CD1-CD2 4.18Å; I302-L323 HydrophobicContact CD1-CD1 4.2Å; I302-L323 HydrophobicContact CD1-CD2 3.91Å; I302-L323 HydrophobicContact CG1-CD2 4.09Å; I302-F326 HydrophobicContact CD1-CE1 4.05Å; I302-V330 HydrophobicContact CB-CG1 4.21Å; I302-V330 HydrophobicContact CG2-CG1 3.66Å; I302-V330 HydrophobicContact CG2-CG2 4.3Å
303	D	95.7	Very high	94.9	Very high	27 Å²	27	29.3 Å²	29.3	14%	0.144	18%	0.177	C	C	.	.			trans	-60.7	144.5	177.6	-66.2	3.1	0	0	0	110	Q277 L278 R279 V280 Y301 A305 A306	Q277-D303 PolarHBondContact NE2-OD1 2.86Å; L278-D303 PolarHBondContact O-N 3.5Å; R279-D303 WeakPolarHBondContact CA-OD2 3.48Å; V280-D303 HydrophobicContact CG2-CB 3.94Å; Y301-D303 WeakPolarHBondContact CD1-OD1 3.46Å; Y301-D303 WeakPolarHBondContact CE1-OD1 3.32Å; D303-A305 PolarHBondContact O-N 2.97Å; D303-A306 HydrophobicContact CB-CB 4.34Å; D303-A306 WeakPolarHBondContact O-CB 3.26Å; D303-A306 PolarHBondContact O-N 2.83Å
304	P	93.8	Very high	94.9	Very high	49 Å²	49	30.3 Å²	30.3	32%	0.318	18%	0.181	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.8	138.5	165.6	-26.5	35.4	0	0	0	110.7	A306 E327	P304-A306 PolarHBondContact O-N 2.98Å; P304-E327 HydrophobicContact CG-CB 4.31Å
305	A	91	Very high	94.9	Very high	34 Å²	34	32.9 Å²	32.9	28%	0.281	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.7	17.9	-173.7	0	0	0	0	0	115.7	V280 D303 F307 S308 G329	V280-A305 HydrophobicContact CG1-CB 4.5Å; D303-A305 PolarHBondContact O-N 2.97Å; A305-F307 PolarHBondContact O-N 3.24Å; A305-S308 WeakPolarHBondContact O-CB 3.11Å; A305-S308 PolarHBondContact O-N 3.09Å; A305-G329 PolarHBondContact N-O 3.29Å; A305-G329 VanDerWaalsContact N-O 3.12Å
306	A	94	Very high	94.9	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-31.7	172.4	0	0	0	0	0	112.8	L278 F283 I302 D303 P304 S308	L278-A306 HydrophobicContact CB-CB 3.98Å; F283-A306 WeakPolarHBondContact CD2-O 3.47Å; I302-A306 HydrophobicContact CG2-CB 3.67Å; D303-A306 HydrophobicContact CB-CB 4.34Å; D303-A306 WeakPolarHBondContact O-CB 3.26Å; D303-A306 PolarHBondContact O-N 2.83Å; P304-A306 PolarHBondContact O-N 2.98Å; A306-S308 VanDerWaalsContact C-N 3.3Å
307	F	94.8	Very high	95	Very high	1 Å²	1	30.5 Å²	30.5	0%	0.004	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.2	10.1	176.3	-59.3	-56.6	0	0	0	113.8	L278 F283 L292 L294 I302 A305 G309 L310 L316 L318 V330 L331 L334	L278-F307 HydrophobicContact CD1-CE1 3.54Å; L278-F307 HydrophobicContact CD1-CZ 3.61Å; F283-F307 HydrophobicContact CD2-CD1 4.27Å; F283-F307 HydrophobicContact CE2-CD1 4.2Å; F283-F307 HydrophobicContact CE2-CE1 4.35Å; L292-F307 HydrophobicContact CD2-CD1 4.34Å; L292-F307 HydrophobicContact CD2-CE1 4.14Å; L294-F307 HydrophobicContact CD1-CE1 4.21Å; I302-F307 HydrophobicContact CD1-CE2 4.36Å; I302-F307 HydrophobicContact CD1-CZ 4.19Å; I302-F307 HydrophobicContact CG2-CE2 3.98Å; I302-F307 HydrophobicContact CG2-CZ 4.25Å; A305-F307 PolarHBondContact O-N 3.24Å; F307-G309 PolarHBondContact O-N 2.89Å; F307-L310 HydrophobicContact CB-CD1 4.13Å; F307-L310 HydrophobicContact CD1-CD1 3.81Å; F307-L310 HydrophobicContact CG-CD1 4.4Å; F307-L310 VanDerWaalsContact O-CB 3.3Å; F307-L310 WeakPolarHBondContact O-CB 3.43Å; F307-L310 PolarHBondContact O-N 2.91Å; F307-L310 VanDerWaalsContact O-N 3.1Å; F307-L316 HydrophobicContact CE1-CD1 4.34Å; F307-L316 HydrophobicContact CE1-CD2 4.34Å; F307-L316 HydrophobicContact CE2-CD2 4.03Å; F307-L316 HydrophobicContact CZ-CD1 4.44Å; F307-L316 HydrophobicContact CZ-CD2 3.92Å; F307-L318 HydrophobicContact CZ-CD1 4.4Å; F307-L318 HydrophobicContact CZ-CD2 4.5Å; F307-V330 HydrophobicContact CD2-CG1 4.26Å; F307-V330 WeakPolarHBondContact CD2-O 3.03Å; F307-V330 HydrophobicContact CE2-CG1 3.97Å; F307-L331 HydrophobicContact CE2-CD2 4.45Å; F307-L334 HydrophobicContact CB-CD1 4.48Å; F307-L334 HydrophobicContact CB-CD2 3.94Å; F307-L334 HydrophobicContact CB-CG 4.31Å; F307-L334 HydrophobicContact CD2-CD1 4.11Å; F307-L334 HydrophobicContact CG-CD1 4.42Å
308	S	90.1	Very high	95	Very high	46 Å²	46	30.2 Å²	30.2	32%	0.322	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	135.5	177.2	-155.5	0	0	0	0	110.7	A305 A306 D333	A305-S308 WeakPolarHBondContact O-CB 3.11Å; A305-S308 PolarHBondContact O-N 3.09Å; A306-S308 VanDerWaalsContact C-N 3.3Å; S308-D333 WeakPolarHBondContact CA-OD2 3.43Å; S308-D333 VanDerWaalsContact CB-OD2 3.23Å; S308-D333 WeakPolarHBondContact CB-OD2 3.36Å; S308-D333 PolarHBondContact OG-OD2 2.85Å
309	G	85.4	Confident	95.1	Very high	18 Å²	18	29.6 Å²	29.6	19%	0.186	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	98.7	-21.1	-170.4	0	0	0	0	0	114.4	S287 F307 I311	S287-G309 WeakPolarHBondContact CA-O 3.49Å; F307-G309 PolarHBondContact O-N 2.89Å; G309-I311 PolarHBondContact O-N 3.45Å
310	L	93.9	Very high	95.1	Very high	1 Å²	1	33.6 Å²	33.6	1%	0.005	19%	0.189	C	C	.	.			trans	-81.6	48.1	179.5	-61.9	-175.5	0	0	0	113.5	F283 V286 L289 L292 F307 N312 L313 L334	F283-L310 HydrophobicContact CB-CD1 4.09Å; F283-L310 HydrophobicContact CB-CD2 3.69Å; F283-L310 HydrophobicContact CB-CG 3.71Å; F283-L310 HydrophobicContact CD1-CD2 4.48Å; F283-L310 HydrophobicContact CD2-CD1 4.04Å; F283-L310 HydrophobicContact CG-CD1 3.98Å; F283-L310 HydrophobicContact CG-CD2 4.18Å; F283-L310 HydrophobicContact CG-CG 4.17Å; V286-L310 HydrophobicContact CG2-CD2 3.79Å; L289-L310 HydrophobicContact CB-CD2 3.98Å; L289-L310 HydrophobicContact CD2-CD2 3.62Å; L289-L310 HydrophobicContact CG-CD2 4.38Å; L292-L310 HydrophobicContact CD2-CD1 3.73Å; F307-L310 HydrophobicContact CB-CD1 4.13Å; F307-L310 HydrophobicContact CD1-CD1 3.81Å; F307-L310 HydrophobicContact CG-CD1 4.4Å; F307-L310 VanDerWaalsContact O-CB 3.3Å; F307-L310 WeakPolarHBondContact O-CB 3.43Å; F307-L310 PolarHBondContact O-N 2.91Å; F307-L310 VanDerWaalsContact O-N 3.1Å; L310-N312 PolarHBondContact O-N 3.33Å; L310-N312 VanDerWaalsContact O-N 3.15Å; L310-L313 HydrophobicContact CB-CB 4.09Å; L310-L313 HydrophobicContact CB-CD2 4.43Å; L310-L313 HydrophobicContact CD1-CD2 4.04Å; L310-L313 WeakPolarHBondContact O-CB 3.46Å; L310-L313 PolarHBondContact O-N 3.43Å; L310-L334 HydrophobicContact CB-CD2 4.12Å
311	I	90.3	Very high	95.2	Very high	82 Å²	82	29.9 Å²	29.9	42%	0.421	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-20.1	-171.7	60.6	168.4	0	0	0	114.2	G309 F336	G309-I311 PolarHBondContact O-N 3.45Å; I311-F336 WeakPolarHBondContact O-CD2 3.38Å
312	N	94.5	Very high	95.3	Very high	52 Å²	52	28.4 Å²	28.4	28%	0.278	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109.2	13.8	-179.9	-66.9	-55.9	0	0	0	113	S287 L289 L310 E314	S287-N312 WeakPolarHBondContact O-CB 3.25Å; S287-N312 PolarHBondContact O-ND2 2.85Å; L289-N312 CarbonylContact O-C 3.54Å; L310-N312 PolarHBondContact O-N 3.33Å; L310-N312 VanDerWaalsContact O-N 3.15Å; N312-E314 PolarHBondContact O-N 3Å
313	L	97.3	Very high	95.3	Very high	1 Å²	1	28.2 Å²	28.2	1%	0.005	17%	0.167	C	C	.	.			trans	-68.4	123.2	-175.5	-164.4	74.2	0	0	0	110.9	L289 L292 L310 L316 L334 F336 L337	L289-L313 HydrophobicContact CD2-CD1 4.19Å; L289-L313 HydrophobicContact CG-CD1 4.19Å; L289-L313 WeakPolarHBondContact O-CA 3.4Å; L289-L313 PolarHBondContact O-N 3.2Å; L292-L313 HydrophobicContact CB-CD1 3.73Å; L292-L313 HydrophobicContact CB-CD2 4.44Å; L310-L313 HydrophobicContact CB-CB 4.09Å; L310-L313 HydrophobicContact CB-CD2 4.43Å; L310-L313 HydrophobicContact CD1-CD2 4.04Å; L310-L313 WeakPolarHBondContact O-CB 3.46Å; L310-L313 PolarHBondContact O-N 3.43Å; L313-L316 HydrophobicContact CD2-CB 4.03Å; L313-L316 HydrophobicContact CD2-CD1 4.46Å; L313-L316 HydrophobicContact CD2-CD2 4.47Å; L313-L334 HydrophobicContact CB-CD2 4.19Å; L313-L334 HydrophobicContact CD2-CD2 3.78Å; L313-F336 CarbonylContact O-C 3.17Å; L313-L337 HydrophobicContact CD2-CD1 4.18Å; L313-L337 HydrophobicContact CG-CD1 4.31Å; L313-L337 VanDerWaalsContact O-CA 3.3Å; L313-L337 WeakPolarHBondContact O-CA 3.3Å; L313-L337 PolarHBondContact O-N 3.03Å; L313-L337 VanDerWaalsContact O-N 3.16Å
314	E	97.4	Very high	95.3	Very high	52 Å²	52	30.6 Å²	30.6	24%	0.243	18%	0.177	C	C	.	.			trans	-104.6	-31.7	-179.4	-58.2	-172.3	-151.1	0	0	111.5	K290 N312 K338 I339	K290-E314 HydrophobicContact CB-CG 4.4Å; K290-E314 WeakPolarHBondContact CD-OE1 3.22Å; K290-E314 IonicContact NZ-OE1 3.57Å; K290-E314 PolarHBondContact NZ-OE1 3.32Å; K290-E314 PolarHBondContact O-N 3.32Å; N312-E314 PolarHBondContact O-N 3Å; E314-K338 HydrophobicContact CB-CD 4.4Å; E314-K338 WeakPolarHBondContact O-CA 3.19Å; E314-K338 PolarHBondContact O-N 3.42Å; E314-K338 IonicContact OE2-NZ 2.65Å; E314-K338 PolarHBondContact OE2-NZ 2.92Å; E314-I339 PolarHBondContact O-N 2.82Å
315	E	98.3	Very high	95.4	Very high	54 Å²	54	30.3 Å²	30.3	25%	0.252	17%	0.173	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135	126.8	-178.1	-178.9	174.4	173.5	0	0	111.9	K290 I291 L292 I339 W341	K290-E315 PolarHBondContact O-N 3.2Å; I291-E315 WeakPolarHBondContact CA-O 3.13Å; I291-E315 HydrophobicContact CG1-CB 4.27Å; I291-E315 HydrophobicContact CG2-CB 4.31Å; I291-E315 HydrophobicContact CG2-CG 4.41Å; L292-E315 PolarHBondContact N-O 2.58Å; E315-I339 WeakPolarHBondContact CA-O 3.23Å; E315-I339 HydrophobicContact CB-CB 4.35Å; E315-I339 HydrophobicContact CG-CB 4.08Å; E315-I339 HydrophobicContact CG-CG2 4.29Å; E315-W341 PolarHBondContact OE1-NE1 3.33Å
316	L	98.4	Very high	95.7	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	118.3	176.5	178.5	55.9	0	0	0	110.5	L292 L294 F307 L313 L318 L334 L337 I339 L340 W341	L292-L316 HydrophobicContact CB-CD1 4.06Å; L292-L316 HydrophobicContact CD2-CD1 3.94Å; L292-L316 HydrophobicContact CG-CD1 3.93Å; L292-L316 WeakPolarHBondContact O-CA 3.4Å; L294-L316 HydrophobicContact CD1-CD1 4.37Å; F307-L316 HydrophobicContact CE1-CD1 4.34Å; F307-L316 HydrophobicContact CE1-CD2 4.34Å; F307-L316 HydrophobicContact CE2-CD2 4.03Å; F307-L316 HydrophobicContact CZ-CD1 4.44Å; F307-L316 HydrophobicContact CZ-CD2 3.92Å; L313-L316 HydrophobicContact CD2-CB 4.03Å; L313-L316 HydrophobicContact CD2-CD1 4.46Å; L313-L316 HydrophobicContact CD2-CD2 4.47Å; L316-L318 HydrophobicContact CD1-CD2 4.44Å; L316-L318 HydrophobicContact CD1-CG 4.14Å; L316-L318 HydrophobicContact CD2-CD1 3.89Å; L316-L318 HydrophobicContact CD2-CG 4.3Å; L316-L318 HydrophobicContact CG-CD1 4.12Å; L316-L318 HydrophobicContact CG-CG 3.99Å; L316-L334 HydrophobicContact CD2-CD1 3.96Å; L316-L337 HydrophobicContact CB-CD1 3.81Å; L316-I339 PolarHBondContact N-O 2.81Å; L316-L340 HydrophobicContact CB-CD1 3.98Å; L316-L340 HydrophobicContact CD2-CD1 3.91Å; L316-L340 HydrophobicContact CG-CD1 3.93Å; L316-L340 WeakPolarHBondContact O-CA 3.48Å; L316-W341 PolarHBondContact O-N 3.34Å
317	D	98.6	Very high	95.7	Very high	14 Å²	14	33 Å²	33	8%	0.075	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	107	175	-175.3	-0.1	0	0	0	111.4	L292 N293 L294 N295 S319 W341	L292-D317 PolarHBondContact O-N 3.22Å; N293-D317 HydrophobicContact CB-CB 4.39Å; N293-D317 PolarHBondContact ND2-OD2 2.85Å; N293-D317 PolarHBondContact OD1-OD2 2.77Å; L294-D317 CarbonylContact C-O 3.52Å; L294-D317 WeakPolarHBondContact CA-O 3.32Å; L294-D317 PolarHBondContact N-O 3.33Å; N295-D317 WeakPolarHBondContact CB-OD2 3.33Å; N295-D317 PolarHBondContact N-O 3.24Å; N295-D317 PolarHBondContact ND2-OD2 3.2Å; D317-S319 VanDerWaalsContact OD1-CB 3.27Å; D317-S319 WeakPolarHBondContact OD1-CB 3.27Å; D317-S319 PolarHBondContact OD1-N 2.84Å; D317-S319 PolarHBondContact OD1-OG 2.92Å; D317-W341 HydrophobicContact CB-CB 4.21Å; D317-W341 HydrophobicContact CB-CG 4.2Å; D317-W341 WeakPolarHBondContact OD1-CB 3.42Å
318	L	98.2	Very high	95.5	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	21%	0.211	C	C	.	.			trans	-111.2	15.1	175.2	-70.6	170.7	0	0	0	112.1	L294 L299 I302 F307 L316 N321 L323 F326 L340 W341 L342 N345	L294-L318 HydrophobicContact CB-CD2 3.98Å; L294-L318 HydrophobicContact CD1-CD2 4.07Å; L299-L318 HydrophobicContact CD1-CD2 3.8Å; I302-L318 HydrophobicContact CD1-CD1 4.12Å; I302-L318 HydrophobicContact CD1-CD2 4.18Å; F307-L318 HydrophobicContact CZ-CD1 4.4Å; F307-L318 HydrophobicContact CZ-CD2 4.5Å; L316-L318 HydrophobicContact CD1-CD2 4.44Å; L316-L318 HydrophobicContact CD1-CG 4.14Å; L316-L318 HydrophobicContact CD2-CD1 3.89Å; L316-L318 HydrophobicContact CD2-CG 4.3Å; L316-L318 HydrophobicContact CG-CD1 4.12Å; L316-L318 HydrophobicContact CG-CG 3.99Å; L318-N321 PolarHBondContact O-ND2 2.97Å; L318-L323 HydrophobicContact CB-CD1 4.24Å; L318-F326 HydrophobicContact CD1-CE1 4.4Å; L318-F326 HydrophobicContact CD1-CZ 3.71Å; L318-L340 HydrophobicContact CD1-CD1 4.39Å; L318-W341 CarbonylContact C-O 3.47Å; L318-W341 WeakPolarHBondContact CA-O 3.15Å; L318-W341 PolarHBondContact N-O 3.34Å; L318-L342 HydrophobicContact CB-CD2 4.28Å; L318-L342 HydrophobicContact CD1-CD2 4.44Å; L318-N345 PolarHBondContact O-ND2 2.69Å
319	S	98.1	Very high	95.5	Very high	15 Å²	15	39 Å²	39	11%	0.105	20%	0.198	C	C	.	.			trans	-66.9	156.1	-176.7	64.5	0	0	0	0	113.2	N295 S296 D317 N321 W341 R343	N295-S319 VanDerWaalsContact CA-O 3.22Å; N295-S319 WeakPolarHBondContact CA-O 3.03Å; N295-S319 PolarHBondContact ND2-OG 3.35Å; S296-S319 PolarHBondContact N-O 3.39Å; S296-S319 VanDerWaalsContact N-O 3.11Å; D317-S319 VanDerWaalsContact OD1-CB 3.27Å; D317-S319 WeakPolarHBondContact OD1-CB 3.27Å; D317-S319 PolarHBondContact OD1-N 2.84Å; D317-S319 PolarHBondContact OD1-OG 2.92Å; S319-N321 PolarHBondContact O-N 3.12Å; S319-N321 PolarHBondContact O-ND2 2.94Å; S319-W341 PolarHBondContact N-O 3.46Å; S319-R343 CarbonylContact C-O 3.53Å; S319-R343 WeakPolarHBondContact CA-O 3.46Å; S319-R343 WeakPolarHBondContact CB-O 3.43Å
320	N	97.8	Very high	96	Very high	85 Å²	85	38.2 Å²	38.2	46%	0.455	19%	0.19	S	C	.	.	S	Bend	trans	54.9	50.8	179.4	-164	26.7	0	0	0	112.6	S296 R343 E344	S296-N320 WeakPolarHBondContact CA-O 3.37Å; S296-N320 PolarHBondContact N-O 2.81Å; S296-N320 PolarHBondContact OG-ND2 3.26Å; N320-R343 PolarHBondContact N-O 3.16Å; N320-E344 VanDerWaalsContact CA-O 3.27Å; N320-E344 WeakPolarHBondContact CA-O 3.18Å; N320-E344 HydrophobicContact CB-CB 4.03Å
321	N	98.5	Very high	96	Very high	7 Å²	7	38.2 Å²	38.2	4%	0.037	19%	0.19	C	C	.	.	S	Bend	trans	-119.4	-165.5	174.4	-81.4	-63.2	0	0	0	109.5	L294 N297 G298 L299 L318 S319 L323 E344 N345	L294-N321 PolarHBondContact O-ND2 3.3Å; N297-N321 WeakPolarHBondContact CA-OD1 3.05Å; N297-N321 WeakPolarHBondContact CB-OD1 3.49Å; N297-N321 PolarHBondContact N-OD1 3.45Å; G298-N321 PolarHBondContact N-OD1 2.94Å; L299-N321 HydrophobicContact CB-CB 4Å; L299-N321 PolarHBondContact N-OD1 2.93Å; L318-N321 PolarHBondContact O-ND2 2.97Å; S319-N321 PolarHBondContact O-N 3.12Å; S319-N321 PolarHBondContact O-ND2 2.94Å; N321-L323 HydrophobicContact CB-CD1 4.13Å; N321-L323 HydrophobicContact CB-CG 4.27Å; N321-E344 PolarHBondContact N-O 2.77Å; N321-N345 VanDerWaalsContact CA-OD1 3.24Å; N321-N345 WeakPolarHBondContact CA-OD1 3.26Å; N321-N345 WeakPolarHBondContact CB-OD1 3.43Å; N321-N345 PolarHBondContact N-OD1 3.09Å; N321-N345 PolarHBondContact O-OD1 3.15Å
322	S	97.7	Very high	95.9	Very high	53 Å²	53	38.9 Å²	38.9	37%	0.371	19%	0.192	S	C	.	.			trans	-120.6	31.9	-178.4	-58.9	0	0	0	0	111.4	L299 N345	L299-S322 CarbonylContact O-C 3.54Å; L299-S322 VanDerWaalsContact O-CA 3.22Å; L299-S322 WeakPolarHBondContact O-CA 3.44Å; L299-S322 WeakPolarHBondContact O-CB 3.45Å; L299-S322 PolarHBondContact O-N 2.93Å; S322-N345 PolarHBondContact N-OD1 2.95Å
323	L	97.5	Very high	95.5	Very high	1 Å²	1	38.4 Å²	38.4	1%	0.005	19%	0.189	C	C	.	.			trans	-77	133.5	-179.2	-62.8	159	0	0	0	109.7	L299 I302 L318 N321 F326 N345 P346 W347	L299-L323 HydrophobicContact CB-CD2 4.24Å; L299-L323 HydrophobicContact CB-CG 4.32Å; L299-L323 PolarHBondContact O-N 2.81Å; I302-L323 HydrophobicContact CD1-CD1 4.2Å; I302-L323 HydrophobicContact CD1-CD2 3.91Å; I302-L323 HydrophobicContact CG1-CD2 4.09Å; L318-L323 HydrophobicContact CB-CD1 4.24Å; N321-L323 HydrophobicContact CB-CD1 4.13Å; N321-L323 HydrophobicContact CB-CG 4.27Å; L323-F326 HydrophobicContact CD1-CE1 4Å; L323-F326 HydrophobicContact CD2-CE1 4.39Å; L323-N345 HydrophobicContact CB-CB 4.45Å; L323-N345 WeakPolarHBondContact CB-OD1 3.06Å; L323-N345 PolarHBondContact N-OD1 3.05Å; L323-N345 VanDerWaalsContact N-OD1 3.12Å; L323-P346 CarbonylContact O-C 3.37Å; L323-P346 VanDerWaalsContact O-CD 3.26Å; L323-P346 WeakPolarHBondContact O-CD 3.45Å; L323-W347 HydrophobicContact CB-CH2 3.83Å; L323-W347 HydrophobicContact CB-CZ3 3.98Å; L323-W347 HydrophobicContact CD1-CH2 4.45Å
324	Q	96.9	Very high	95.3	Very high	77 Å²	77	38.4 Å²	38.4	36%	0.36	19%	0.189	S	C	.	.			trans	-105.8	-29.3	179.2	-65.9	-177	33.1	0	0	112.5	P346 R348	Q324-P346 HydrophobicContact CG-CG 4.25Å; Q324-R348 HydrophobicContact CB-CB 3.92Å; Q324-R348 PolarHBondContact O-N 2.79Å
325	N	95.6	Very high	94.8	Very high	44 Å²	44	43 Å²	43	24%	0.235	21%	0.205	C	C	.	.			trans	-161.5	178.1	176.5	59.7	74	0	0	0	108.5	N352 I353	N325-N352 HydrophobicContact CB-CB 3.96Å; N325-I353 HydrophobicContact CB-CD1 4.28Å
326	F	95.8	Very high	94.6	Very high	5 Å²	5	46.5 Å²	46.5	2%	0.022	22%	0.22	C	C	.	.			trans	-115.9	137.3	165.2	-70	-15.8	0	0	0	109.7	I302 L318 L323 V330 L331 L342 W347 Y355 L356	I302-F326 HydrophobicContact CD1-CE1 4.05Å; L318-F326 HydrophobicContact CD1-CE1 4.4Å; L318-F326 HydrophobicContact CD1-CZ 3.71Å; L323-F326 HydrophobicContact CD1-CE1 4Å; L323-F326 HydrophobicContact CD2-CE1 4.39Å; F326-V330 HydrophobicContact CB-CB 4.32Å; F326-V330 HydrophobicContact CD2-CG1 4.34Å; F326-V330 HydrophobicContact CG-CG1 4.24Å; F326-L331 HydrophobicContact CD2-CD1 3.7Å; F326-L331 HydrophobicContact CD2-CD2 4.19Å; F326-L331 HydrophobicContact CD2-CG 3.85Å; F326-L331 HydrophobicContact CE2-CD1 3.81Å; F326-L331 HydrophobicContact CE2-CD2 3.91Å; F326-L331 HydrophobicContact CE2-CG 4.04Å; F326-L342 HydrophobicContact CE2-CD2 4.31Å; F326-L342 HydrophobicContact CZ-CD2 3.89Å; F326-W347 HydrophobicContact CD1-CZ3 4.48Å; F326-W347 AromaticContact CE1-CH2 3.92Å; F326-W347 HydrophobicContact CE1-CH2 3.92Å; F326-W347 HydrophobicContact CE1-CZ3 4.26Å; F326-W347 HydrophobicContact CZ-CH2 4.07Å; F326-Y355 HydrophobicContact CB-CD1 3.84Å; F326-Y355 HydrophobicContact CB-CE1 3.89Å; F326-Y355 WeakPolarHBondContact O-CD1 3.3Å; F326-L356 HydrophobicContact CD2-CD1 3.67Å; F326-L356 HydrophobicContact CD2-CD2 4.14Å; F326-L356 HydrophobicContact CD2-CG 4.32Å; F326-L356 HydrophobicContact CE2-CD1 3.82Å; F326-L356 HydrophobicContact CE2-CD2 4.28Å; F326-L356 HydrophobicContact CG-CD2 4.46Å
327	E	93.8	Very high	94.5	Very high	85 Å²	85	46.9 Å²	46.9	40%	0.397	22%	0.222	S	C	.	.			trans	-70.8	157.3	167.5	-65.3	-162.9	170.7	0	0	111	Y301 P304 G329 V330 Y355	Y301-E327 HydrophobicContact CE2-CG 4.13Å; Y301-E327 WeakPolarHBondContact CE2-OE1 3.38Å; Y301-E327 PolarHBondContact OH-OE1 3.17Å; Y301-E327 PolarHBondContact OH-OE2 3.15Å; Y301-E327 VanDerWaalsContact OH-OE2 3.06Å; P304-E327 HydrophobicContact CG-CB 4.31Å; E327-G329 PolarHBondContact O-N 3.3Å; E327-V330 HydrophobicContact CB-CG2 4.29Å; E327-V330 VanDerWaalsContact O-CG2 3.3Å; E327-V330 WeakPolarHBondContact O-CG2 3.3Å; E327-V330 PolarHBondContact O-N 2.79Å; E327-Y355 WeakPolarHBondContact O-CD1 3.4Å; E327-Y355 WeakPolarHBondContact O-CE1 3.42Å
328	Y	92.6	Very high	94.4	Very high	166 Å²	166	51.2 Å²	51.2	65%	0.651	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.5	137.1	172.4	-178.4	-85.1	0	0	0	110.4	Y355	Y328-Y355 AromaticContact CD2-CD2 3.84Å; Y328-Y355 HydrophobicContact CD2-CD2 3.84Å; Y328-Y355 AromaticContact CD2-CE2 3.9Å; Y328-Y355 HydrophobicContact CD2-CE2 3.9Å; Y328-Y355 HydrophobicContact CE2-CE2 4.43Å; Y328-Y355 HydrophobicContact CG-CD2 4.47Å; Y328-Y355 HydrophobicContact CG-CE2 4.41Å
329	G	89.6	Confident	94.3	Very high	6 Å²	6	53.9 Å²	53.9	6%	0.062	25%	0.254	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.8	-2.6	178.4	0	0	0	0	0	115.2	A305 E327 E332 Y355	A305-G329 PolarHBondContact N-O 3.29Å; A305-G329 VanDerWaalsContact N-O 3.12Å; E327-G329 PolarHBondContact O-N 3.3Å; G329-E332 WeakPolarHBondContact CA-OE2 3.36Å; G329-Y355 PolarHBondContact N-OH 3.33Å
330	V	94.9	Very high	94.3	Very high	3 Å²	3	53.1 Å²	53.1	2%	0.018	25%	0.249	C	C	.	.	S	Bend	trans	-65.5	-44.7	176.8	169.1	0	0	0	0	111.8	I302 F307 F326 E327	I302-V330 HydrophobicContact CB-CG1 4.21Å; I302-V330 HydrophobicContact CG2-CG1 3.66Å; I302-V330 HydrophobicContact CG2-CG2 4.3Å; F307-V330 HydrophobicContact CD2-CG1 4.26Å; F307-V330 WeakPolarHBondContact CD2-O 3.03Å; F307-V330 HydrophobicContact CE2-CG1 3.97Å; F326-V330 HydrophobicContact CB-CB 4.32Å; F326-V330 HydrophobicContact CD2-CG1 4.34Å; F326-V330 HydrophobicContact CG-CG1 4.24Å; E327-V330 HydrophobicContact CB-CG2 4.29Å; E327-V330 VanDerWaalsContact O-CG2 3.3Å; E327-V330 WeakPolarHBondContact O-CG2 3.3Å; E327-V330 PolarHBondContact O-N 2.79Å
331	L	94.1	Very high	94.3	Very high	0 Å²	0	53 Å²	53	0%	0	24%	0.242	C	C	.	.	S	Bend	trans	-102.3	8.7	-175.8	-57.5	177.7	0	0	0	113.8	F307 F326 D333 L334 L340 Y355 L356 W359	F307-L331 HydrophobicContact CE2-CD2 4.45Å; F326-L331 HydrophobicContact CD2-CD1 3.7Å; F326-L331 HydrophobicContact CD2-CD2 4.19Å; F326-L331 HydrophobicContact CD2-CG 3.85Å; F326-L331 HydrophobicContact CE2-CD1 3.81Å; F326-L331 HydrophobicContact CE2-CD2 3.91Å; F326-L331 HydrophobicContact CE2-CG 4.04Å; L331-D333 VanDerWaalsContact C-N 3.34Å; L331-D333 PolarHBondContact O-N 3.39Å; L331-L334 HydrophobicContact CD2-CD1 3.75Å; L331-L334 PolarHBondContact O-N 3.06Å; L331-L340 HydrophobicContact CD1-CD2 4.34Å; L331-Y355 PolarHBondContact N-OH 3.34Å; L331-Y355 VanDerWaalsContact N-OH 3.1Å; L331-L356 HydrophobicContact CD1-CD1 4Å; L331-W359 HydrophobicContact CB-CD2 3.96Å; L331-W359 HydrophobicContact CB-CG 4.31Å; L331-W359 HydrophobicContact CB-CH2 4.48Å; L331-W359 HydrophobicContact CB-CZ2 3.83Å; L331-W359 HydrophobicContact CD1-CD2 3.69Å; L331-W359 HydrophobicContact CD1-CE3 3.62Å; L331-W359 HydrophobicContact CD1-CG 4.21Å; L331-W359 HydrophobicContact CD1-CH2 4.37Å; L331-W359 HydrophobicContact CD1-CZ2 4.41Å; L331-W359 HydrophobicContact CD1-CZ3 3.98Å; L331-W359 PolarHBondContact O-NE1 2.99Å
332	E	88.4	Confident	94.3	Very high	97 Å²	97	52.7 Å²	52.7	45%	0.453	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-35.6	-169.1	-170.9	165.5	-168.5	0	0	113.2	G329 L334	G329-E332 WeakPolarHBondContact CA-OE2 3.36Å; E332-L334 PolarHBondContact O-N 3.21Å
333	D	85.7	Confident	94.2	Very high	41 Å²	41	56.7 Å²	56.7	22%	0.219	25%	0.247	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	0.8	-177.3	-70.9	-29.2	0	0	0	114.5	S308 L331 Y335	S308-D333 WeakPolarHBondContact CA-OD2 3.43Å; S308-D333 VanDerWaalsContact CB-OD2 3.23Å; S308-D333 WeakPolarHBondContact CB-OD2 3.36Å; S308-D333 PolarHBondContact OG-OD2 2.85Å; L331-D333 VanDerWaalsContact C-N 3.34Å; L331-D333 PolarHBondContact O-N 3.39Å; D333-Y335 HydrophobicContact CB-CE2 4.47Å; D333-Y335 WeakPolarHBondContact O-CD2 3.38Å; D333-Y335 WeakPolarHBondContact O-CE2 3.43Å; D333-Y335 PolarHBondContact O-N 3.43Å
334	L	92.6	Very high	94.1	Very high	2 Å²	2	63.1 Å²	63.1	1%	0.01	28%	0.277	C	S	.	.			trans	-93.2	56.7	-171.9	-62.9	-176.3	0	0	0	113.4	F307 L310 L313 L316 L331 E332 F336 L337	F307-L334 HydrophobicContact CB-CD1 4.48Å; F307-L334 HydrophobicContact CB-CD2 3.94Å; F307-L334 HydrophobicContact CB-CG 4.31Å; F307-L334 HydrophobicContact CD2-CD1 4.11Å; F307-L334 HydrophobicContact CG-CD1 4.42Å; L310-L334 HydrophobicContact CB-CD2 4.12Å; L313-L334 HydrophobicContact CB-CD2 4.19Å; L313-L334 HydrophobicContact CD2-CD2 3.78Å; L316-L334 HydrophobicContact CD2-CD1 3.96Å; L331-L334 HydrophobicContact CD2-CD1 3.75Å; L331-L334 PolarHBondContact O-N 3.06Å; E332-L334 PolarHBondContact O-N 3.21Å; L334-F336 VanDerWaalsContact C-N 3.33Å; L334-F336 PolarHBondContact O-N 3.12Å; L334-L337 HydrophobicContact CB-CB 4.2Å; L334-L337 HydrophobicContact CD1-CD2 4.18Å; L334-L337 WeakPolarHBondContact O-CB 3.37Å; L334-L337 PolarHBondContact O-N 3.1Å
335	Y	87.8	Confident	94.1	Very high	148 Å²	148	59.7 Å²	59.7	58%	0.58	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.4	-30.8	-171.2	-55.3	-79.6	0	0	0	115.5	D333	D333-Y335 HydrophobicContact CB-CE2 4.47Å; D333-Y335 WeakPolarHBondContact O-CD2 3.38Å; D333-Y335 WeakPolarHBondContact O-CE2 3.43Å; D333-Y335 PolarHBondContact O-N 3.43Å
336	F	93.3	Very high	94.2	Very high	127 Å²	127	59.3 Å²	59.3	56%	0.557	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.2	11.7	-175.6	-64.3	-88.3	0	0	0	113.4	I311 L313 L334 K338	I311-F336 WeakPolarHBondContact O-CD2 3.38Å; L313-F336 CarbonylContact O-C 3.17Å; L334-F336 VanDerWaalsContact C-N 3.33Å; L334-F336 PolarHBondContact O-N 3.12Å; F336-K338 PolarHBondContact O-N 3.27Å
337	L	96.6	Very high	94.3	Very high	8 Å²	8	59 Å²	59	4%	0.042	26%	0.26	C	S	.	.			trans	-61.7	133	179.4	-164.1	71.1	0	0	0	109.7	L313 L316 L334 L340 W359 V366	L313-L337 HydrophobicContact CD2-CD1 4.18Å; L313-L337 HydrophobicContact CG-CD1 4.31Å; L313-L337 VanDerWaalsContact O-CA 3.3Å; L313-L337 WeakPolarHBondContact O-CA 3.3Å; L313-L337 PolarHBondContact O-N 3.03Å; L313-L337 VanDerWaalsContact O-N 3.16Å; L316-L337 HydrophobicContact CB-CD1 3.81Å; L334-L337 HydrophobicContact CB-CB 4.2Å; L334-L337 HydrophobicContact CD1-CD2 4.18Å; L334-L337 WeakPolarHBondContact O-CB 3.37Å; L334-L337 PolarHBondContact O-N 3.1Å; L337-L340 HydrophobicContact CD2-CB 4.08Å; L337-L340 HydrophobicContact CD2-CD1 4.34Å; L337-L340 HydrophobicContact CD2-CD2 4.43Å; L337-W359 HydrophobicContact CD2-CH2 3.92Å; L337-V366 HydrophobicContact CB-CG2 4.39Å; L337-V366 HydrophobicContact CD2-CG1 4.24Å; L337-V366 HydrophobicContact CG-CG1 4.47Å; L337-V366 VanDerWaalsContact O-CG2 3.27Å; L337-V366 WeakPolarHBondContact O-CG2 3.45Å
338	K	96.1	Very high	94.4	Very high	105 Å²	105	60 Å²	60	46%	0.457	26%	0.26	S	S	.	.			trans	-117.3	-32	178.2	-62.5	174.5	-172.3	164.7	0	111.6	E314 F336 V366 H367	E314-K338 HydrophobicContact CB-CD 4.4Å; E314-K338 WeakPolarHBondContact O-CA 3.19Å; E314-K338 PolarHBondContact O-N 3.42Å; E314-K338 IonicContact OE2-NZ 2.65Å; E314-K338 PolarHBondContact OE2-NZ 2.92Å; F336-K338 PolarHBondContact O-N 3.27Å; K338-V366 CarbonylContact O-C 3.6Å; K338-H367 PolarHBondContact O-N 2.76Å
339	I	97.6	Very high	94.6	Very high	56 Å²	56	52.2 Å²	52.2	29%	0.287	23%	0.229	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	125.4	-174.4	-53.6	177.1	0	0	0	109.7	E314 E315 L316 W341 H367	E314-I339 PolarHBondContact O-N 2.82Å; E315-I339 WeakPolarHBondContact CA-O 3.23Å; E315-I339 HydrophobicContact CB-CB 4.35Å; E315-I339 HydrophobicContact CG-CB 4.08Å; E315-I339 HydrophobicContact CG-CG2 4.29Å; L316-I339 PolarHBondContact N-O 2.81Å; I339-W341 HydrophobicContact CG2-CD2 4.33Å; I339-W341 VanDerWaalsContact CG2-CE2 3.5Å; I339-W341 HydrophobicContact CG2-CZ2 3.73Å; I339-W341 VanDerWaalsContact CG2-NE1 3.33Å; I339-H367 CarbonylContact C-O 3.2Å; I339-H367 WeakPolarHBondContact CA-O 3.39Å
340	L	97.8	Very high	94.8	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	110.5	178.2	-177.9	58.6	0	0	0	111.1	L316 L318 L331 L337 L342 L360 V366 H367 Y368	L316-L340 HydrophobicContact CB-CD1 3.98Å; L316-L340 HydrophobicContact CD2-CD1 3.91Å; L316-L340 HydrophobicContact CG-CD1 3.93Å; L316-L340 WeakPolarHBondContact O-CA 3.48Å; L318-L340 HydrophobicContact CD1-CD1 4.39Å; L331-L340 HydrophobicContact CD1-CD2 4.34Å; L337-L340 HydrophobicContact CD2-CB 4.08Å; L337-L340 HydrophobicContact CD2-CD1 4.34Å; L337-L340 HydrophobicContact CD2-CD2 4.43Å; L340-L342 HydrophobicContact CD1-CD2 4.04Å; L340-L342 HydrophobicContact CD1-CG 4.43Å; L340-L342 HydrophobicContact CD2-CD1 3.85Å; L340-L342 HydrophobicContact CD2-CD2 4.22Å; L340-L342 HydrophobicContact CD2-CG 4.18Å; L340-L342 HydrophobicContact CG-CD1 4.03Å; L340-L342 HydrophobicContact CG-CD2 3.95Å; L340-L342 HydrophobicContact CG-CG 3.84Å; L340-L360 HydrophobicContact CD2-CD2 4.26Å; L340-V366 HydrophobicContact CB-CG1 3.94Å; L340-H367 PolarHBondContact N-O 3.4Å; L340-Y368 VanDerWaalsContact O-CA 3.24Å; L340-Y368 WeakPolarHBondContact O-CA 3.14Å
341	W	98	Very high	94.6	Very high	83 Å²	83	60.7 Å²	60.7	31%	0.314	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	117.6	179.4	-51.6	89.2	0	0	0	111.1	E315 L316 D317 L318 S319 I339 N369	E315-W341 PolarHBondContact OE1-NE1 3.33Å; L316-W341 PolarHBondContact O-N 3.34Å; D317-W341 HydrophobicContact CB-CB 4.21Å; D317-W341 HydrophobicContact CB-CG 4.2Å; D317-W341 WeakPolarHBondContact OD1-CB 3.42Å; L318-W341 CarbonylContact C-O 3.47Å; L318-W341 WeakPolarHBondContact CA-O 3.15Å; L318-W341 PolarHBondContact N-O 3.34Å; S319-W341 PolarHBondContact N-O 3.46Å; I339-W341 HydrophobicContact CG2-CD2 4.33Å; I339-W341 VanDerWaalsContact CG2-CE2 3.5Å; I339-W341 HydrophobicContact CG2-CZ2 3.73Å; I339-W341 VanDerWaalsContact CG2-NE1 3.33Å; W341-N369 WeakPolarHBondContact CZ3-ND2 3.48Å
342	L	97.1	Very high	94.5	Very high	0 Å²	0	64.6 Å²	64.6	0%	0	28%	0.284	C	S	.	.			trans	-124.1	0.9	-175	-60.3	170.8	0	0	0	114.1	L318 F326 L340 N345 W347 L356 N369 L371	L318-L342 HydrophobicContact CB-CD2 4.28Å; L318-L342 HydrophobicContact CD1-CD2 4.44Å; F326-L342 HydrophobicContact CE2-CD2 4.31Å; F326-L342 HydrophobicContact CZ-CD2 3.89Å; L340-L342 HydrophobicContact CD1-CD2 4.04Å; L340-L342 HydrophobicContact CD1-CG 4.43Å; L340-L342 HydrophobicContact CD2-CD1 3.85Å; L340-L342 HydrophobicContact CD2-CD2 4.22Å; L340-L342 HydrophobicContact CD2-CG 4.18Å; L340-L342 HydrophobicContact CG-CD1 4.03Å; L340-L342 HydrophobicContact CG-CD2 3.95Å; L340-L342 HydrophobicContact CG-CG 3.84Å; L342-N345 PolarHBondContact O-ND2 3.13Å; L342-N345 VanDerWaalsContact O-ND2 3.09Å; L342-W347 HydrophobicContact CB-CZ2 3.68Å; L342-W347 HydrophobicContact CD1-CZ2 4.46Å; L342-W347 HydrophobicContact CD2-CH2 4.04Å; L342-W347 HydrophobicContact CD2-CZ2 3.81Å; L342-W347 HydrophobicContact CG-CZ2 4.17Å; L342-W347 PolarHBondContact O-NE1 3.36Å; L342-W347 VanDerWaalsContact O-NE1 3.15Å; L342-L356 HydrophobicContact CD1-CD1 4.3Å; L342-L356 HydrophobicContact CD1-CD2 4.34Å; L342-N369 CarbonylContact C-O 3.55Å; L342-N369 WeakPolarHBondContact CA-O 3.06Å; L342-N369 VanDerWaalsContact CB-O 3.24Å; L342-N369 WeakPolarHBondContact CB-O 3.37Å; L342-N369 PolarHBondContact N-O 2.84Å; L342-N369 PolarHBondContact N-OD1 3.21Å; L342-L371 HydrophobicContact CD1-CD1 4.47Å; L342-L371 HydrophobicContact CD1-CD2 3.79Å; L342-L371 HydrophobicContact CD1-CG 4.03Å
343	R	95.8	Very high	94.8	Very high	137 Å²	137	60 Å²	60	52%	0.517	26%	0.262	S	S	.	.			trans	-53.8	154.2	178.4	-75.8	174.6	-173.6	174.5	6.6	113	S319 N320 N345 N369	S319-R343 CarbonylContact C-O 3.53Å; S319-R343 WeakPolarHBondContact CA-O 3.46Å; S319-R343 WeakPolarHBondContact CB-O 3.43Å; N320-R343 PolarHBondContact N-O 3.16Å; R343-N345 VanDerWaalsContact C-N 3.26Å; R343-N345 PolarHBondContact O-N 3.17Å; R343-N345 PolarHBondContact O-ND2 3.34Å; R343-N369 HydrophobicContact CG-CB 4.27Å; R343-N369 WeakPolarHBondContact CG-OD1 3.41Å; R343-N369 PolarHBondContact NE-ND2 2.85Å
344	E	96.2	Very high	95.1	Very high	136 Å²	136	58.4 Å²	58.4	64%	0.636	25%	0.253	S	S	*	.	S	Bend	trans	58	38.3	176.1	-54.5	-59.7	157.5	0	0	112.9	N320 N321	N320-E344 VanDerWaalsContact CA-O 3.27Å; N320-E344 WeakPolarHBondContact CA-O 3.18Å; N320-E344 HydrophobicContact CB-CB 4.03Å; N321-E344 PolarHBondContact N-O 2.77Å
345	N	97.6	Very high	95.2	Very high	4 Å²	4	60.2 Å²	60.2	2%	0.021	26%	0.26	C	S	.	.			trans	-114.4	144.5	166.9	-80.4	-76.7	0	0	0	109.7	L318 N321 S322 L323 L342 R343 W347	L318-N345 PolarHBondContact O-ND2 2.69Å; N321-N345 VanDerWaalsContact CA-OD1 3.24Å; N321-N345 WeakPolarHBondContact CA-OD1 3.26Å; N321-N345 WeakPolarHBondContact CB-OD1 3.43Å; N321-N345 PolarHBondContact N-OD1 3.09Å; N321-N345 PolarHBondContact O-OD1 3.15Å; S322-N345 PolarHBondContact N-OD1 2.95Å; L323-N345 HydrophobicContact CB-CB 4.45Å; L323-N345 WeakPolarHBondContact CB-OD1 3.06Å; L323-N345 PolarHBondContact N-OD1 3.05Å; L323-N345 VanDerWaalsContact N-OD1 3.12Å; L342-N345 PolarHBondContact O-ND2 3.13Å; L342-N345 VanDerWaalsContact O-ND2 3.09Å; R343-N345 VanDerWaalsContact C-N 3.26Å; R343-N345 PolarHBondContact O-N 3.17Å; R343-N345 PolarHBondContact O-ND2 3.34Å; N345-W347 HydrophobicContact CB-CD2 4.12Å; N345-W347 VanDerWaalsContact CB-CE2 3.45Å; N345-W347 HydrophobicContact CB-CH2 4.27Å; N345-W347 HydrophobicContact CB-CZ2 3.5Å; N345-W347 PolarHBondContact O-N 3.34Å
346	P	97.1	Very high	95.6	Very high	36 Å²	36	53.2 Å²	53.2	23%	0.234	23%	0.233	C	C	.	.			trans	-79.6	62.4	-179.8	35.5	-38.5	0	0	0	111.8	L323 Q324 R348 K374 M375	L323-P346 CarbonylContact O-C 3.37Å; L323-P346 VanDerWaalsContact O-CD 3.26Å; L323-P346 WeakPolarHBondContact O-CD 3.45Å; Q324-P346 HydrophobicContact CG-CG 4.25Å; P346-R348 PolarHBondContact O-N 3.27Å; P346-K374 HydrophobicContact CB-CB 4.5Å; P346-M375 HydrophobicContact CB-CE 3.9Å
347	W	97.5	Very high	95.6	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	21%	0.211	C	C	.	.			trans	-56.1	127	-177.2	-60.2	113	0	0	0	111.7	L323 F326 L342 N345 I353 L356 G370 L371 K374 M375	L323-W347 HydrophobicContact CB-CH2 3.83Å; L323-W347 HydrophobicContact CB-CZ3 3.98Å; L323-W347 HydrophobicContact CD1-CH2 4.45Å; F326-W347 HydrophobicContact CD1-CZ3 4.48Å; F326-W347 AromaticContact CE1-CH2 3.92Å; F326-W347 HydrophobicContact CE1-CH2 3.92Å; F326-W347 HydrophobicContact CE1-CZ3 4.26Å; F326-W347 HydrophobicContact CZ-CH2 4.07Å; L342-W347 HydrophobicContact CB-CZ2 3.68Å; L342-W347 HydrophobicContact CD1-CZ2 4.46Å; L342-W347 HydrophobicContact CD2-CH2 4.04Å; L342-W347 HydrophobicContact CD2-CZ2 3.81Å; L342-W347 HydrophobicContact CG-CZ2 4.17Å; L342-W347 PolarHBondContact O-NE1 3.36Å; L342-W347 VanDerWaalsContact O-NE1 3.15Å; N345-W347 HydrophobicContact CB-CD2 4.12Å; N345-W347 VanDerWaalsContact CB-CE2 3.45Å; N345-W347 HydrophobicContact CB-CH2 4.27Å; N345-W347 HydrophobicContact CB-CZ2 3.5Å; N345-W347 PolarHBondContact O-N 3.34Å; W347-I353 HydrophobicContact CB-CD1 4.44Å; W347-I353 HydrophobicContact CE3-CD1 3.85Å; W347-L356 HydrophobicContact CE3-CD2 4.17Å; W347-L356 HydrophobicContact CH2-CD2 4.05Å; W347-L356 HydrophobicContact CZ3-CD2 3.78Å; W347-G370 PolarHBondContact NE1-O 3.3Å; W347-L371 HydrophobicContact CD2-CD2 4.1Å; W347-L371 HydrophobicContact CG-CD2 4.32Å; W347-L371 HydrophobicContact CZ2-CD2 4.46Å; W347-K374 PolarHBondContact O-N 3.34Å; W347-M375 PolarHBondContact O-N 3.45Å
348	R	96.8	Very high	95.3	Very high	105 Å²	105	51.3 Å²	51.3	40%	0.396	22%	0.223	S	C	.	.	B	Isolated β-bridge	trans	-99.3	111	-179.8	178.7	174.3	-124.9	-109.1	6.1	108.9	Q324 P346 D350 I353 M375	Q324-R348 HydrophobicContact CB-CB 3.92Å; Q324-R348 PolarHBondContact O-N 2.79Å; P346-R348 PolarHBondContact O-N 3.27Å; R348-D350 VanDerWaalsContact C-N 3.29Å; R348-D350 WeakPolarHBondContact CD-OD2 3.2Å; R348-D350 HydrophobicContact CG-CB 4.38Å; R348-D350 WeakPolarHBondContact CG-OD2 3.44Å; R348-D350 IonicContact CZ-OD2 2.95Å; R348-D350 IonicContact NE-OD2 3.95Å; R348-D350 IonicContact NH1-OD2 3.39Å; R348-D350 PolarHBondContact NH1-OD2 3.07Å; R348-D350 PolarHBondContact O-N 3.29Å; R348-I353 WeakPolarHBondContact O-CB 3.35Å; R348-M375 CarbonylContact C-O 3.43Å; R348-M375 WeakPolarHBondContact CA-O 3.4Å; R348-M375 HydrophobicContact CB-CG 3.58Å; R348-M375 HydrophobicContact CB-SD 3.94Å; R348-M375 HydrophobicContact CG-CG 3.78Å; R348-M375 HydrophobicContact CG-SD 4.08Å
349	C	95.8	Very high	95.3	Very high	2 Å²	2	47.3 Å²	47.3	1%	0.014	20%	0.204	C	C	.	.			trans	-84.8	77.8	179.2	-70.9	0	0	0	0	110	C373 M375 P376 Y379 Y387	C349-C373 HydrophobicContact CB-CB 3.81Å; C349-C373 WeakPolarHBondContact CB-SG 3.24Å; C349-C373 VanDerWaalsContact SG-CA 3.52Å; C349-C373 WeakPolarHBondContact SG-CB 3.05Å; C349-C373 CovalentContact SG-SG 2.01Å; C349-C373 PolarHBondContact SG-SG 3.28Å; C349-M375 PolarHBondContact N-O 2.91Å; C349-P376 WeakPolarHBondContact O-CD 3.49Å; C349-Y379 HydrophobicContact CB-CD2 4.42Å; C349-Y387 HydrophobicContact CB-CD1 3.69Å; C349-Y387 HydrophobicContact CB-CD2 4.03Å; C349-Y387 HydrophobicContact CB-CE1 4.01Å; C349-Y387 HydrophobicContact CB-CE2 4.34Å; C349-Y387 HydrophobicContact CB-CG 3.7Å; C349-Y387 WeakPolarHBondContact O-CE2 3.5Å; C349-Y387 VanDerWaalsContact O-CZ 3.29Å; C349-Y387 PolarHBondContact O-OH 3.05Å
350	D	93.8	Very high	95	Very high	30 Å²	30	45 Å²	45	16%	0.16	19%	0.193	C	C	.	.	S	Bend	trans	-125.6	-168.8	167.4	67	23.9	0	0	0	110.1	R348 N352 I353 H354 Y387	R348-D350 VanDerWaalsContact C-N 3.29Å; R348-D350 WeakPolarHBondContact CD-OD2 3.2Å; R348-D350 HydrophobicContact CG-CB 4.38Å; R348-D350 WeakPolarHBondContact CG-OD2 3.44Å; R348-D350 IonicContact CZ-OD2 2.95Å; R348-D350 IonicContact NE-OD2 3.95Å; R348-D350 IonicContact NH1-OD2 3.39Å; R348-D350 PolarHBondContact NH1-OD2 3.07Å; R348-D350 PolarHBondContact O-N 3.29Å; D350-N352 PolarHBondContact O-N 2.84Å; D350-N352 VanDerWaalsContact O-N 3.1Å; D350-N352 VanDerWaalsContact OD1-CB 3.32Å; D350-N352 WeakPolarHBondContact OD1-CB 3.34Å; D350-N352 PolarHBondContact OD1-N 3.04Å; D350-N352 PolarHBondContact OD1-ND2 2.91Å; D350-N352 VanDerWaalsContact OD1-ND2 3.07Å; D350-I353 VanDerWaalsContact O-CG2 3.3Å; D350-I353 WeakPolarHBondContact O-CG2 3.24Å; D350-I353 PolarHBondContact O-N 2.85Å; D350-H354 PolarHBondContact O-ND1 2.95Å; D350-Y387 VanDerWaalsContact CA-OH 3.27Å; D350-Y387 WeakPolarHBondContact CA-OH 3.44Å
351	Y	90.9	Very high	94.6	Very high	158 Å²	158	52 Å²	52	62%	0.62	22%	0.223	S	C	*	.	G	3₁₀ helix	trans	-54.5	-31.5	179.8	-177	-102.2	0	0	0	113.5	I353 H354	Y351-I353 VanDerWaalsContact C-N 3.3Å; Y351-I353 PolarHBondContact O-N 3.05Å; Y351-H354 WeakPolarHBondContact CA-ND1 3.39Å; Y351-H354 WeakPolarHBondContact O-CB 3.32Å; Y351-H354 PolarHBondContact O-N 2.74Å; Y351-H354 PolarHBondContact O-ND1 2.89Å
352	N	93.2	Very high	94.2	Very high	82 Å²	82	54.7 Å²	54.7	44%	0.439	24%	0.239	S	C	.	.	G	3₁₀ helix	trans	-72.8	-19.8	-174.8	-55.7	-59.8	0	0	0	113.4	N325 D350 H354	N325-N352 HydrophobicContact CB-CB 3.96Å; D350-N352 PolarHBondContact O-N 2.84Å; D350-N352 VanDerWaalsContact O-N 3.1Å; D350-N352 VanDerWaalsContact OD1-CB 3.32Å; D350-N352 WeakPolarHBondContact OD1-CB 3.34Å; D350-N352 PolarHBondContact OD1-N 3.04Å; D350-N352 PolarHBondContact OD1-ND2 2.91Å; D350-N352 VanDerWaalsContact OD1-ND2 3.07Å; N352-H354 PolarHBondContact O-N 3.1Å
353	I	94.4	Very high	93.9	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-73.1	-16.3	178.8	-152.9	63.2	0	0	0	112.9	N325 W347 R348 D350 Y351 Y355 L356 F357 V384 Y387 V388	N325-I353 HydrophobicContact CB-CD1 4.28Å; W347-I353 HydrophobicContact CB-CD1 4.44Å; W347-I353 HydrophobicContact CE3-CD1 3.85Å; R348-I353 WeakPolarHBondContact O-CB 3.35Å; D350-I353 VanDerWaalsContact O-CG2 3.3Å; D350-I353 WeakPolarHBondContact O-CG2 3.24Å; D350-I353 PolarHBondContact O-N 2.85Å; Y351-I353 VanDerWaalsContact C-N 3.3Å; Y351-I353 PolarHBondContact O-N 3.05Å; I353-Y355 VanDerWaalsContact C-N 3.3Å; I353-Y355 PolarHBondContact O-N 2.8Å; I353-L356 HydrophobicContact CD1-CD2 4.29Å; I353-L356 PolarHBondContact O-N 3.37Å; I353-F357 PolarHBondContact O-N 3.33Å; I353-V384 HydrophobicContact CB-CG1 4.49Å; I353-V384 HydrophobicContact CG1-CG1 3.62Å; I353-V384 HydrophobicContact CG1-CG2 4.11Å; I353-V384 HydrophobicContact CG2-CG1 4.02Å; I353-Y387 HydrophobicContact CG2-CD1 3.87Å; I353-Y387 HydrophobicContact CG2-CE1 3.75Å; I353-V388 HydrophobicContact CG2-CG2 4.33Å
354	H	92.2	Very high	93.5	Very high	8 Å²	8	60.1 Å²	60.1	4%	0.037	26%	0.264	C	S	.	.	H	α-helix	trans	-60.8	-39.4	-175.2	-73.5	71.7	0	0	0	111.8	D350 Y351 N352 L356 F357 Y358 Y387 Y391	D350-H354 PolarHBondContact O-ND1 2.95Å; Y351-H354 WeakPolarHBondContact CA-ND1 3.39Å; Y351-H354 WeakPolarHBondContact O-CB 3.32Å; Y351-H354 PolarHBondContact O-N 2.74Å; Y351-H354 PolarHBondContact O-ND1 2.89Å; N352-H354 PolarHBondContact O-N 3.1Å; H354-L356 PolarHBondContact O-N 3.37Å; H354-F357 PolarHBondContact O-N 3.16Å; H354-Y358 HydrophobicContact CB-CD2 4.06Å; H354-Y358 HydrophobicContact CB-CE2 3.86Å; H354-Y358 AromaticContact CD2-CE2 3.95Å; H354-Y358 WeakPolarHBondContact O-CB 3.5Å; H354-Y358 WeakPolarHBondContact O-CD2 3.49Å; H354-Y358 PolarHBondContact O-N 3.19Å; H354-Y387 AromaticContact CE1-CE1 3.83Å; H354-Y391 AromaticContact NE2-CD1 3.67Å; H354-Y391 AromaticContact NE2-CG 3.88Å
355	Y	94.4	Very high	93.2	Very high	40 Å²	40	58.7 Å²	58.7	16%	0.157	26%	0.26	C	S	.	.	H	α-helix	trans	-55.1	-52.9	177.1	166	-103.9	0	0	0	111.8	F326 E327 Y328 G329 L331 I353 F357 Y358 W359	F326-Y355 HydrophobicContact CB-CD1 3.84Å; F326-Y355 HydrophobicContact CB-CE1 3.89Å; F326-Y355 WeakPolarHBondContact O-CD1 3.3Å; E327-Y355 WeakPolarHBondContact O-CD1 3.4Å; E327-Y355 WeakPolarHBondContact O-CE1 3.42Å; Y328-Y355 AromaticContact CD2-CD2 3.84Å; Y328-Y355 HydrophobicContact CD2-CD2 3.84Å; Y328-Y355 AromaticContact CD2-CE2 3.9Å; Y328-Y355 HydrophobicContact CD2-CE2 3.9Å; Y328-Y355 HydrophobicContact CE2-CE2 4.43Å; Y328-Y355 HydrophobicContact CG-CD2 4.47Å; Y328-Y355 HydrophobicContact CG-CE2 4.41Å; G329-Y355 PolarHBondContact N-OH 3.33Å; L331-Y355 PolarHBondContact N-OH 3.34Å; L331-Y355 VanDerWaalsContact N-OH 3.1Å; I353-Y355 VanDerWaalsContact C-N 3.3Å; I353-Y355 PolarHBondContact O-N 2.8Å; Y355-F357 VanDerWaalsContact C-N 3.33Å; Y355-F357 PolarHBondContact O-N 3.27Å; Y355-Y358 PolarHBondContact O-N 3.33Å; Y355-W359 VanDerWaalsContact O-CB 3.3Å; Y355-W359 WeakPolarHBondContact O-CB 3.45Å; Y355-W359 PolarHBondContact O-N 3.25Å
356	L	94.9	Very high	93	Very high	0 Å²	0	59 Å²	59	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-61	-43.9	-178.8	175.9	52.1	0	0	0	111.4	F326 L331 L342 W347 I353 H354 L360 L371	F326-L356 HydrophobicContact CD2-CD1 3.67Å; F326-L356 HydrophobicContact CD2-CD2 4.14Å; F326-L356 HydrophobicContact CD2-CG 4.32Å; F326-L356 HydrophobicContact CE2-CD1 3.82Å; F326-L356 HydrophobicContact CE2-CD2 4.28Å; F326-L356 HydrophobicContact CG-CD2 4.46Å; L331-L356 HydrophobicContact CD1-CD1 4Å; L342-L356 HydrophobicContact CD1-CD1 4.3Å; L342-L356 HydrophobicContact CD1-CD2 4.34Å; W347-L356 HydrophobicContact CE3-CD2 4.17Å; W347-L356 HydrophobicContact CH2-CD2 4.05Å; W347-L356 HydrophobicContact CZ3-CD2 3.78Å; I353-L356 HydrophobicContact CD1-CD2 4.29Å; I353-L356 PolarHBondContact O-N 3.37Å; H354-L356 PolarHBondContact O-N 3.37Å; L356-L360 HydrophobicContact CD1-CD1 3.92Å; L356-L360 HydrophobicContact CD1-CG 4.25Å; L356-L360 HydrophobicContact CG-CD1 4.3Å; L356-L360 WeakPolarHBondContact O-CG 3.12Å; L356-L360 PolarHBondContact O-N 3.44Å; L356-L360 VanDerWaalsContact O-N 3.1Å; L356-L371 HydrophobicContact CD2-CD2 3.75Å; L356-L371 HydrophobicContact CG-CD1 4.46Å; L356-L371 HydrophobicContact CG-CD2 4.35Å
357	F	93.9	Very high	92.8	Very high	23 Å²	23	63.9 Å²	63.9	10%	0.101	28%	0.282	C	S	.	.	H	α-helix	trans	-63.1	-46.8	177.8	179.5	-103.4	0	0	0	112.4	I353 H354 Y355 L360 K361 V384 V388	I353-F357 PolarHBondContact O-N 3.33Å; H354-F357 PolarHBondContact O-N 3.16Å; Y355-F357 VanDerWaalsContact C-N 3.33Å; Y355-F357 PolarHBondContact O-N 3.27Å; F357-L360 PolarHBondContact O-N 3.46Å; F357-K361 PolarHBondContact O-N 3.47Å; F357-V384 HydrophobicContact CB-CG1 4.09Å; F357-V384 HydrophobicContact CD2-CG1 4.34Å; F357-V388 HydrophobicContact CB-CG2 4.03Å; F357-V388 HydrophobicContact CD1-CB 3.83Å; F357-V388 HydrophobicContact CD1-CG1 3.55Å; F357-V388 HydrophobicContact CD1-CG2 3.9Å; F357-V388 HydrophobicContact CE1-CB 4.01Å; F357-V388 HydrophobicContact CE1-CG1 3.72Å; F357-V388 HydrophobicContact CG-CB 4.26Å; F357-V388 HydrophobicContact CG-CG1 4.4Å; F357-V388 HydrophobicContact CG-CG2 3.92Å
358	Y	91.5	Very high	92.7	Very high	73 Å²	73	69.1 Å²	69.1	29%	0.286	30%	0.302	S	S	.	.	H	α-helix	trans	-68.3	-37.9	179.5	-72.4	-53.8	0	0	0	112.6	H354 Y355 L360 K361 H362 Y392	H354-Y358 HydrophobicContact CB-CD2 4.06Å; H354-Y358 HydrophobicContact CB-CE2 3.86Å; H354-Y358 AromaticContact CD2-CE2 3.95Å; H354-Y358 WeakPolarHBondContact O-CB 3.5Å; H354-Y358 WeakPolarHBondContact O-CD2 3.49Å; H354-Y358 PolarHBondContact O-N 3.19Å; Y355-Y358 PolarHBondContact O-N 3.33Å; Y358-L360 VanDerWaalsContact C-N 3.31Å; Y358-L360 PolarHBondContact O-N 3.47Å; Y358-K361 PolarHBondContact O-N 3.45Å; Y358-H362 PolarHBondContact O-N 3.44Å; Y358-H362 PolarHBondContact O-ND1 3.15Å; Y358-Y392 WeakPolarHBondContact OH-CE2 3.3Å; Y358-Y392 VanDerWaalsContact OH-CZ 3.25Å; Y358-Y392 PolarHBondContact OH-OH 3.41Å
359	W	94.3	Very high	92.4	Very high	20 Å²	20	65.3 Å²	65.3	8%	0.076	29%	0.29	C	S	.	.	H	α-helix	trans	-58	-47.5	174.7	-173.3	94.7	0	0	0	110.4	L331 L337 Y355 K361 H362 H363 V366	L331-W359 HydrophobicContact CB-CD2 3.96Å; L331-W359 HydrophobicContact CB-CG 4.31Å; L331-W359 HydrophobicContact CB-CH2 4.48Å; L331-W359 HydrophobicContact CB-CZ2 3.83Å; L331-W359 HydrophobicContact CD1-CD2 3.69Å; L331-W359 HydrophobicContact CD1-CE3 3.62Å; L331-W359 HydrophobicContact CD1-CG 4.21Å; L331-W359 HydrophobicContact CD1-CH2 4.37Å; L331-W359 HydrophobicContact CD1-CZ2 4.41Å; L331-W359 HydrophobicContact CD1-CZ3 3.98Å; L331-W359 PolarHBondContact O-NE1 2.99Å; L337-W359 HydrophobicContact CD2-CH2 3.92Å; Y355-W359 VanDerWaalsContact O-CB 3.3Å; Y355-W359 WeakPolarHBondContact O-CB 3.45Å; Y355-W359 PolarHBondContact O-N 3.25Å; W359-K361 VanDerWaalsContact C-N 3.34Å; W359-K361 PolarHBondContact O-N 2.78Å; W359-H362 PolarHBondContact O-N 2.99Å; W359-H363 AromaticContact CD1-CE1 3.74Å; W359-H363 AromaticContact CD1-ND1 3.92Å; W359-H363 AromaticContact CD2-ND1 3.6Å; W359-H363 AromaticContact CE2-CE1 3.55Å; W359-H363 AromaticContact CE2-CG 3.96Å; W359-H363 AromaticContact CE2-ND1 3.48Å; W359-H363 HydrophobicContact CE3-CB 4.41Å; W359-H363 AromaticContact CG-ND1 3.88Å; W359-H363 HydrophobicContact CH2-CB 4.24Å; W359-H363 AromaticContact CZ2-CG 3.92Å; W359-H363 AromaticContact CZ2-ND1 3.92Å; W359-H363 HydrophobicContact CZ3-CB 4.18Å; W359-H363 AromaticContact NE1-CE1 3.35Å; W359-H363 PolarHBondContact NE1-CE1 2.01Å; W359-H363 AromaticContact NE1-ND1 3.7Å; W359-H363 PolarHBondContact O-N 2.99Å; W359-H363 PolarHBondContact O-ND1 3.03Å; W359-V366 HydrophobicContact CH2-CG2 3.9Å; W359-V366 HydrophobicContact CZ3-CB 4.42Å; W359-V366 HydrophobicContact CZ3-CG1 4.24Å; W359-V366 HydrophobicContact CZ3-CG2 4.05Å
360	L	92.9	Very high	92	Very high	8 Å²	8	66.5 Å²	66.5	4%	0.042	30%	0.303	C	S	.	.	H	α-helix	trans	-65	-34.9	176.9	-71.5	168.3	0	0	0	113.2	L340 L356 F357 Y358 H362 H363 V366 Y368 L371	L340-L360 HydrophobicContact CD2-CD2 4.26Å; L356-L360 HydrophobicContact CD1-CD1 3.92Å; L356-L360 HydrophobicContact CD1-CG 4.25Å; L356-L360 HydrophobicContact CG-CD1 4.3Å; L356-L360 WeakPolarHBondContact O-CG 3.12Å; L356-L360 PolarHBondContact O-N 3.44Å; L356-L360 VanDerWaalsContact O-N 3.1Å; F357-L360 PolarHBondContact O-N 3.46Å; Y358-L360 VanDerWaalsContact C-N 3.31Å; Y358-L360 PolarHBondContact O-N 3.47Å; L360-H362 VanDerWaalsContact C-N 3.34Å; L360-H363 CarbonylContact O-C 3.38Å; L360-H363 PolarHBondContact O-N 3.21Å; L360-V366 HydrophobicContact CD2-CG1 4.2Å; L360-Y368 HydrophobicContact CB-CD1 4.41Å; L360-Y368 HydrophobicContact CB-CE1 4.25Å; L360-Y368 HydrophobicContact CD1-CD1 4.05Å; L360-Y368 HydrophobicContact CD1-CD2 3.94Å; L360-Y368 HydrophobicContact CD1-CE1 4.24Å; L360-Y368 HydrophobicContact CD1-CE2 4.15Å; L360-Y368 HydrophobicContact CD1-CG 3.89Å; L360-Y368 HydrophobicContact CD2-CD1 3.71Å; L360-Y368 HydrophobicContact CD2-CE1 4.38Å; L360-Y368 HydrophobicContact CD2-CG 3.92Å; L360-Y368 HydrophobicContact CG-CD1 4.29Å; L360-Y368 HydrophobicContact CG-CG 4.49Å; L360-L371 HydrophobicContact CD1-CD1 3.26Å; L360-L371 HydrophobicContact CD1-CG 4.42Å
361	K	89.4	Confident	92	Very high	146 Å²	146	65.9 Å²	65.9	64%	0.635	30%	0.299	S	S	*	.	H	α-helix	trans	-64.5	-38.3	175.5	-170.8	179.9	179.8	-178	0	112.2	F357 Y358 W359	F357-K361 PolarHBondContact O-N 3.47Å; Y358-K361 PolarHBondContact O-N 3.45Å; W359-K361 VanDerWaalsContact C-N 3.34Å; W359-K361 PolarHBondContact O-N 2.78Å
362	H	88.9	Confident	92.2	Very high	141 Å²	141	62 Å²	62	65%	0.653	29%	0.287	S	S	*	.	H	α-helix	trans	-76.8	-29.7	177.2	-71	83.9	0	0	0	112.3	Y358 W359 L360 Y364	Y358-H362 PolarHBondContact O-N 3.44Å; Y358-H362 PolarHBondContact O-ND1 3.15Å; W359-H362 PolarHBondContact O-N 2.99Å; L360-H362 VanDerWaalsContact C-N 3.34Å; H362-Y364 PolarHBondContact O-N 3.48Å
363	H	90.3	Very high	92.4	Very high	66 Å²	66	58.1 Å²	58.1	31%	0.306	27%	0.266	S	S	.	.			trans	-99.6	62.5	178.9	-61.3	81.9	0	0	0	111.2	W359 L360 N365 V366	W359-H363 AromaticContact CD1-CE1 3.74Å; W359-H363 AromaticContact CD1-ND1 3.92Å; W359-H363 AromaticContact CD2-ND1 3.6Å; W359-H363 AromaticContact CE2-CE1 3.55Å; W359-H363 AromaticContact CE2-CG 3.96Å; W359-H363 AromaticContact CE2-ND1 3.48Å; W359-H363 HydrophobicContact CE3-CB 4.41Å; W359-H363 AromaticContact CG-ND1 3.88Å; W359-H363 HydrophobicContact CH2-CB 4.24Å; W359-H363 AromaticContact CZ2-CG 3.92Å; W359-H363 AromaticContact CZ2-ND1 3.92Å; W359-H363 HydrophobicContact CZ3-CB 4.18Å; W359-H363 AromaticContact NE1-CE1 3.35Å; W359-H363 PolarHBondContact NE1-CE1 2.01Å; W359-H363 AromaticContact NE1-ND1 3.7Å; W359-H363 PolarHBondContact O-N 2.99Å; W359-H363 PolarHBondContact O-ND1 3.03Å; L360-H363 CarbonylContact O-C 3.38Å; L360-H363 PolarHBondContact O-N 3.21Å; H363-N365 PolarHBondContact O-N 3.42Å; H363-V366 HydrophobicContact CB-CB 4.4Å; H363-V366 HydrophobicContact CB-CG2 3.69Å; H363-V366 WeakPolarHBondContact O-CB 3.05Å; H363-V366 PolarHBondContact O-N 3.49Å
364	Y	87.9	Confident	92.5	Very high	185 Å²	185	61.9 Å²	61.9	73%	0.725	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-20.3	-176	65.3	-90.8	0	0	0	114.8	H362 V366	H362-Y364 PolarHBondContact O-N 3.48Å; Y364-V366 VanDerWaalsContact C-N 3.28Å
365	N	88.7	Confident	92.6	Very high	105 Å²	105	64 Å²	64	56%	0.561	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.3	-9.6	175.3	-68	-38.9	0	0	0	113.6	H363 H367	H363-N365 PolarHBondContact O-N 3.42Å; N365-H367 PolarHBondContact O-N 3.44Å
366	V	93.3	Very high	92.6	Very high	11 Å²	11	64.1 Å²	64.1	7%	0.067	30%	0.299	C	S	.	.			trans	-86.3	111.3	178.5	-178.9	0	0	0	0	109.1	L337 K338 L340 W359 L360 H363 Y364 Y368	L337-V366 HydrophobicContact CB-CG2 4.39Å; L337-V366 HydrophobicContact CD2-CG1 4.24Å; L337-V366 HydrophobicContact CG-CG1 4.47Å; L337-V366 VanDerWaalsContact O-CG2 3.27Å; L337-V366 WeakPolarHBondContact O-CG2 3.45Å; K338-V366 CarbonylContact O-C 3.6Å; L340-V366 HydrophobicContact CB-CG1 3.94Å; W359-V366 HydrophobicContact CH2-CG2 3.9Å; W359-V366 HydrophobicContact CZ3-CB 4.42Å; W359-V366 HydrophobicContact CZ3-CG1 4.24Å; W359-V366 HydrophobicContact CZ3-CG2 4.05Å; L360-V366 HydrophobicContact CD2-CG1 4.2Å; H363-V366 HydrophobicContact CB-CB 4.4Å; H363-V366 HydrophobicContact CB-CG2 3.69Å; H363-V366 WeakPolarHBondContact O-CB 3.05Å; H363-V366 PolarHBondContact O-N 3.49Å; Y364-V366 VanDerWaalsContact C-N 3.28Å; V366-Y368 PolarHBondContact O-N 3.1Å
367	H	93.8	Very high	92.6	Very high	139 Å²	139	70.4 Å²	70.4	64%	0.644	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.8	123	169.2	-62.1	-65	0	0	0	110.2	K338 I339 L340 N365	K338-H367 PolarHBondContact O-N 2.76Å; I339-H367 CarbonylContact C-O 3.2Å; I339-H367 WeakPolarHBondContact CA-O 3.39Å; L340-H367 PolarHBondContact N-O 3.4Å; N365-H367 PolarHBondContact O-N 3.44Å
368	Y	94.6	Very high	92.5	Very high	110 Å²	110	75.8 Å²	75.8	43%	0.431	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	166.8	178.7	71.2	-85.4	0	0	0	112.4	L340 L360 V366 L371	L340-Y368 VanDerWaalsContact O-CA 3.24Å; L340-Y368 WeakPolarHBondContact O-CA 3.14Å; L360-Y368 HydrophobicContact CB-CD1 4.41Å; L360-Y368 HydrophobicContact CB-CE1 4.25Å; L360-Y368 HydrophobicContact CD1-CD1 4.05Å; L360-Y368 HydrophobicContact CD1-CD2 3.94Å; L360-Y368 HydrophobicContact CD1-CE1 4.24Å; L360-Y368 HydrophobicContact CD1-CE2 4.15Å; L360-Y368 HydrophobicContact CD1-CG 3.89Å; L360-Y368 HydrophobicContact CD2-CD1 3.71Å; L360-Y368 HydrophobicContact CD2-CE1 4.38Å; L360-Y368 HydrophobicContact CD2-CG 3.92Å; L360-Y368 HydrophobicContact CG-CD1 4.29Å; L360-Y368 HydrophobicContact CG-CG 4.49Å; V366-Y368 PolarHBondContact O-N 3.1Å; Y368-L371 HydrophobicContact CD2-CD1 3.85Å; Y368-L371 HydrophobicContact CD2-CG 4.02Å; Y368-L371 HydrophobicContact CE2-CB 4.21Å; Y368-L371 HydrophobicContact CE2-CD1 3.66Å; Y368-L371 HydrophobicContact CE2-CG 4.08Å
369	N	91.2	Very high	92.7	Very high	24 Å²	24	75.4 Å²	75.4	13%	0.128	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	163.7	173.2	59.9	28.7	0	0	0	113.1	W341 L342 R343	W341-N369 WeakPolarHBondContact CZ3-ND2 3.48Å; L342-N369 CarbonylContact C-O 3.55Å; L342-N369 WeakPolarHBondContact CA-O 3.06Å; L342-N369 VanDerWaalsContact CB-O 3.24Å; L342-N369 WeakPolarHBondContact CB-O 3.37Å; L342-N369 PolarHBondContact N-O 2.84Å; L342-N369 PolarHBondContact N-OD1 3.21Å; R343-N369 HydrophobicContact CG-CB 4.27Å; R343-N369 WeakPolarHBondContact CG-OD1 3.41Å; R343-N369 PolarHBondContact NE-ND2 2.85Å
370	G	88.1	Confident	92.7	Very high	28 Å²	28	79.6 Å²	79.6	29%	0.289	37%	0.371	S	S	.	.			trans	78.9	20	168.4	0	0	0	0	0	115.8	W347 E372	W347-G370 PolarHBondContact NE1-O 3.3Å; G370-E372 VanDerWaalsContact C-N 3.27Å; G370-E372 PolarHBondContact O-N 3.41Å; G370-E372 VanDerWaalsContact O-N 3.13Å
371	L	93.5	Very high	92.7	Very high	16 Å²	16	81.3 Å²	81.3	8%	0.084	39%	0.391	C	S	.	.			trans	-82.9	71.8	169.8	-76.7	-170.3	0	0	0	111.7	L342 W347 L356 L360 Y368 V384	L342-L371 HydrophobicContact CD1-CD1 4.47Å; L342-L371 HydrophobicContact CD1-CD2 3.79Å; L342-L371 HydrophobicContact CD1-CG 4.03Å; W347-L371 HydrophobicContact CD2-CD2 4.1Å; W347-L371 HydrophobicContact CG-CD2 4.32Å; W347-L371 HydrophobicContact CZ2-CD2 4.46Å; L356-L371 HydrophobicContact CD2-CD2 3.75Å; L356-L371 HydrophobicContact CG-CD1 4.46Å; L356-L371 HydrophobicContact CG-CD2 4.35Å; L360-L371 HydrophobicContact CD1-CD1 3.26Å; L360-L371 HydrophobicContact CD1-CG 4.42Å; Y368-L371 HydrophobicContact CD2-CD1 3.85Å; Y368-L371 HydrophobicContact CD2-CG 4.02Å; Y368-L371 HydrophobicContact CE2-CB 4.21Å; Y368-L371 HydrophobicContact CE2-CD1 3.66Å; Y368-L371 HydrophobicContact CE2-CG 4.08Å; L371-V384 HydrophobicContact CB-CB 4.15Å; L371-V384 HydrophobicContact CB-CG2 3.94Å; L371-V384 HydrophobicContact CD2-CG2 4.32Å; L371-V384 PolarHBondContact O-N 3.2Å
372	E	95.1	Very high	93	Very high	78 Å²	78	78 Å²	78	36%	0.364	37%	0.374	S	S	.	.	B	Isolated β-bridge	trans	-116.2	128.2	174.1	-171.4	-165.7	124.3	0	0	109.2	G370 K374 G381 W382	G370-E372 VanDerWaalsContact C-N 3.27Å; G370-E372 PolarHBondContact O-N 3.41Å; G370-E372 VanDerWaalsContact O-N 3.13Å; E372-K374 PolarHBondContact O-N 3.1Å; E372-K374 IonicContact OE1-NZ 2.83Å; E372-K374 PolarHBondContact OE1-NZ 3.37Å; E372-K374 IonicContact OE2-NZ 3.1Å; E372-G381 WeakPolarHBondContact OE1-CA 3.37Å; E372-W382 CarbonylContact C-O 3.57Å; E372-W382 WeakPolarHBondContact CA-O 3.2Å
373	C	96.9	Very high	93.3	Very high	0 Å²	0	74.1 Å²	74.1	0%	0	36%	0.363	C	S	.	.			trans	-59.4	124.1	175.1	-59.7	0	0	0	0	110	C349 Y379 K380 G381 W382	C349-C373 HydrophobicContact CB-CB 3.81Å; C349-C373 WeakPolarHBondContact CB-SG 3.24Å; C349-C373 VanDerWaalsContact SG-CA 3.52Å; C349-C373 WeakPolarHBondContact SG-CB 3.05Å; C349-C373 CovalentContact SG-SG 2.01Å; C349-C373 PolarHBondContact SG-SG 3.28Å; C373-Y379 WeakPolarHBondContact CB-O 3.3Å; C373-K380 WeakPolarHBondContact O-CA 3.27Å; C373-G381 PolarHBondContact O-N 3.31Å; C373-W382 HydrophobicContact CB-CB 4.41Å; C373-W382 WeakPolarHBondContact CB-O 3.49Å; C373-W382 PolarHBondContact N-O 3.31Å; C373-W382 PolarHBondContact SG-O 3.46Å; C373-W382 VanDerWaalsContact SG-O 3.42Å
374	K	96.9	Very high	93.5	Very high	78 Å²	78	71 Å²	71	34%	0.339	35%	0.348	S	S	.	.			trans	-104	-21.2	171.4	-63.5	-56.1	-175.3	-171.6	0	112.5	P346 W347 E372	P346-K374 HydrophobicContact CB-CB 4.5Å; W347-K374 PolarHBondContact O-N 3.34Å; E372-K374 PolarHBondContact O-N 3.1Å; E372-K374 IonicContact OE1-NZ 2.83Å; E372-K374 PolarHBondContact OE1-NZ 3.37Å; E372-K374 IonicContact OE2-NZ 3.1Å
375	M	93.7	Very high	93.6	Very high	52 Å²	52	62.6 Å²	62.6	26%	0.256	32%	0.319	S	S	.	.	B	Isolated β-bridge	trans	-149.5	160	175.6	65.3	-178.3	78	0	0	110.3	P346 W347 R348 C349	P346-M375 HydrophobicContact CB-CE 3.9Å; W347-M375 PolarHBondContact O-N 3.45Å; R348-M375 CarbonylContact C-O 3.43Å; R348-M375 WeakPolarHBondContact CA-O 3.4Å; R348-M375 HydrophobicContact CB-CG 3.58Å; R348-M375 HydrophobicContact CB-SD 3.94Å; R348-M375 HydrophobicContact CG-CG 3.78Å; R348-M375 HydrophobicContact CG-SD 4.08Å; C349-M375 PolarHBondContact N-O 2.91Å
376	P	95.4	Very high	93.8	Very high	44 Å²	44	62.4 Å²	62.4	29%	0.286	31%	0.313	S	S	.	.	S	Bend	cis	-67.2	171.4	-11.2	37.6	-41.7	0	0	0	111.6	C349 E378 Y379 K380	C349-P376 WeakPolarHBondContact O-CD 3.49Å; P376-E378 WeakPolarHBondContact CB-OE2 3.4Å; P376-E378 WeakPolarHBondContact CG-OE2 2.99Å; P376-E378 PolarHBondContact O-N 3.34Å; P376-E378 VanDerWaalsContact O-N 3.17Å; P376-Y379 HydrophobicContact CG-CD2 3.79Å; P376-Y379 HydrophobicContact CG-CE2 4.2Å; P376-Y379 PolarHBondContact O-N 3.32Å; P376-Y379 VanDerWaalsContact O-N 3.16Å; P376-K380 PolarHBondContact O-N 2.92Å
377	E	93.5	Very high	93.8	Very high	131 Å²	131	62.4 Å²	62.4	61%	0.612	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-62	-25.1	-169.9	-73.5	-69.6	144.4	0	0	112.7	Y379 K380	E377-Y379 VanDerWaalsContact C-N 3.27Å; E377-Y379 PolarHBondContact O-N 3.44Å; E377-K380 WeakPolarHBondContact O-CB 3.07Å; E377-K380 PolarHBondContact O-N 2.84Å; E377-K380 IonicContact OE1-NZ 2.68Å; E377-K380 PolarHBondContact OE1-NZ 3.39Å; E377-K380 WeakPolarHBondContact OE2-CD 3.27Å; E377-K380 IonicContact OE2-NZ 2.76Å; E377-K380 PolarHBondContact OE2-NZ 3.34Å
378	E	93.3	Very high	93.6	Very high	136 Å²	136	55.9 Å²	55.9	64%	0.636	28%	0.282	S	S	*	.	G	3₁₀ helix	trans	-61.7	-34.1	177.8	-55.9	80.3	-172.3	0	0	112.5	P376	P376-E378 WeakPolarHBondContact CB-OE2 3.4Å; P376-E378 WeakPolarHBondContact CG-OE2 2.99Å; P376-E378 PolarHBondContact O-N 3.34Å; P376-E378 VanDerWaalsContact O-N 3.17Å
379	Y	94.5	Very high	93.3	Very high	66 Å²	66	58.3 Å²	58.3	26%	0.259	29%	0.29	S	S	.	.	G	3₁₀ helix	trans	-106.9	7.1	-177.8	-53.1	-55.4	0	0	0	112.9	C349 C373 P376 E377 G381 W382 Y387	C349-Y379 HydrophobicContact CB-CD2 4.42Å; C373-Y379 WeakPolarHBondContact CB-O 3.3Å; P376-Y379 HydrophobicContact CG-CD2 3.79Å; P376-Y379 HydrophobicContact CG-CE2 4.2Å; P376-Y379 PolarHBondContact O-N 3.32Å; P376-Y379 VanDerWaalsContact O-N 3.16Å; E377-Y379 VanDerWaalsContact C-N 3.27Å; E377-Y379 PolarHBondContact O-N 3.44Å; Y379-G381 PolarHBondContact O-N 3.32Å; Y379-W382 HydrophobicContact CD1-CD2 4.27Å; Y379-W382 HydrophobicContact CD1-CE3 4.02Å; Y379-W382 HydrophobicContact CD1-CH2 4.36Å; Y379-W382 HydrophobicContact CD1-CZ3 4.07Å; Y379-W382 HydrophobicContact CE1-CZ3 4.4Å; Y379-W382 WeakPolarHBondContact O-CB 3.36Å; Y379-W382 PolarHBondContact O-N 3.35Å; Y379-Y387 AromaticContact CD1-CD2 3.98Å; Y379-Y387 HydrophobicContact CD1-CD2 3.98Å; Y379-Y387 AromaticContact CD2-CD2 3.71Å; Y379-Y387 HydrophobicContact CD2-CD2 3.71Å; Y379-Y387 AromaticContact CD2-CE2 3.7Å; Y379-Y387 HydrophobicContact CD2-CE2 3.7Å; Y379-Y387 HydrophobicContact CE1-CD2 4.08Å; Y379-Y387 HydrophobicContact CE1-CE2 4.35Å; Y379-Y387 AromaticContact CE2-CD2 3.84Å; Y379-Y387 HydrophobicContact CE2-CD2 3.84Å; Y379-Y387 AromaticContact CE2-CE2 3.46Å; Y379-Y387 HydrophobicContact CE2-CE2 3.46Å; Y379-Y387 VanDerWaalsContact CE2-CE2 3.46Å; Y379-Y387 AromaticContact CG-CD2 3.79Å; Y379-Y387 HydrophobicContact CG-CD2 3.79Å; Y379-Y387 HydrophobicContact CG-CE2 4.26Å; Y379-Y387 AromaticContact CZ-CE2 3.81Å
380	K	95.4	Very high	93.1	Very high	107 Å²	107	58.2 Å²	58.2	47%	0.465	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	131.6	-176.9	-174.1	173.5	179.7	175	0	111.6	C373 P376 E377 W382	C373-K380 WeakPolarHBondContact O-CA 3.27Å; P376-K380 PolarHBondContact O-N 2.92Å; E377-K380 WeakPolarHBondContact O-CB 3.07Å; E377-K380 PolarHBondContact O-N 2.84Å; E377-K380 IonicContact OE1-NZ 2.68Å; E377-K380 PolarHBondContact OE1-NZ 3.39Å; E377-K380 WeakPolarHBondContact OE2-CD 3.27Å; E377-K380 IonicContact OE2-NZ 2.76Å; E377-K380 PolarHBondContact OE2-NZ 3.34Å; K380-W382 PolarHBondContact O-N 2.81Å
381	G	93.2	Very high	92.5	Very high	45 Å²	45	61.5 Å²	61.5	46%	0.464	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	82.6	-6.4	-176	0	0	0	0	0	114.3	E372 C373 Y379	E372-G381 WeakPolarHBondContact OE1-CA 3.37Å; C373-G381 PolarHBondContact O-N 3.31Å; Y379-G381 PolarHBondContact O-N 3.32Å
382	W	94.7	Very high	91.2	Very high	75 Å²	75	66 Å²	66	28%	0.284	31%	0.312	S	S	.	.			trans	-73.6	145.9	174.2	-69.6	31.8	0	0	0	109.8	E372 C373 Y379 K380 K386	E372-W382 CarbonylContact C-O 3.57Å; E372-W382 WeakPolarHBondContact CA-O 3.2Å; C373-W382 HydrophobicContact CB-CB 4.41Å; C373-W382 WeakPolarHBondContact CB-O 3.49Å; C373-W382 PolarHBondContact N-O 3.31Å; C373-W382 PolarHBondContact SG-O 3.46Å; C373-W382 VanDerWaalsContact SG-O 3.42Å; Y379-W382 HydrophobicContact CD1-CD2 4.27Å; Y379-W382 HydrophobicContact CD1-CE3 4.02Å; Y379-W382 HydrophobicContact CD1-CH2 4.36Å; Y379-W382 HydrophobicContact CD1-CZ3 4.07Å; Y379-W382 HydrophobicContact CE1-CZ3 4.4Å; Y379-W382 WeakPolarHBondContact O-CB 3.36Å; Y379-W382 PolarHBondContact O-N 3.35Å; K380-W382 PolarHBondContact O-N 2.81Å; W382-K386 HydrophobicContact CB-CD 4.42Å; W382-K386 HydrophobicContact CD2-CD 3.81Å; W382-K386 HydrophobicContact CD2-CG 4.36Å; W382-K386 HydrophobicContact CE3-CB 4.42Å; W382-K386 HydrophobicContact CE3-CD 3.7Å; W382-K386 HydrophobicContact CE3-CG 3.75Å; W382-K386 HydrophobicContact CG-CD 4.15Å; W382-K386 HydrophobicContact CZ3-CD 4.23Å; W382-K386 HydrophobicContact CZ3-CG 4.15Å
383	S	95	Very high	89.6	Confident	60 Å²	60	69.6 Å²	69.6	42%	0.42	33%	0.329	S	S	.	.	B	Isolated β-bridge	trans	-66.7	143.5	163.9	68	0	0	0	0	109	G385 K386 Y387	S383-G385 PolarHBondContact O-N 2.9Å; S383-K386 WeakPolarHBondContact O-CB 3.38Å; S383-K386 PolarHBondContact O-N 3.5Å; S383-K386 WeakPolarHBondContact OG-CB 3.46Å; S383-K386 PolarHBondContact OG-N 3.22Å; S383-Y387 PolarHBondContact O-N 3.07Å; S383-Y387 VanDerWaalsContact O-N 3.15Å
384	V	94.1	Very high	87.5	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-56	-37.7	177.2	171.7	0	0	0	0	110.7	I353 F357 L371 K386 Y387 V388	I353-V384 HydrophobicContact CB-CG1 4.49Å; I353-V384 HydrophobicContact CG1-CG1 3.62Å; I353-V384 HydrophobicContact CG1-CG2 4.11Å; I353-V384 HydrophobicContact CG2-CG1 4.02Å; F357-V384 HydrophobicContact CB-CG1 4.09Å; F357-V384 HydrophobicContact CD2-CG1 4.34Å; L371-V384 HydrophobicContact CB-CB 4.15Å; L371-V384 HydrophobicContact CB-CG2 3.94Å; L371-V384 HydrophobicContact CD2-CG2 4.32Å; L371-V384 PolarHBondContact O-N 3.2Å; V384-K386 VanDerWaalsContact C-N 3.34Å; V384-K386 PolarHBondContact O-N 3.22Å; V384-Y387 PolarHBondContact O-N 3.23Å; V384-V388 HydrophobicContact CG1-CG2 4.25Å; V384-V388 WeakPolarHBondContact O-CG2 3.3Å; V384-V388 PolarHBondContact O-N 3.3Å
385	G	91.2	Very high	85.1	Confident	10 Å²	10	77.1 Å²	77.1	10%	0.103	37%	0.373	C	S	.	.	H	α-helix	trans	-64.5	-34.3	176.6	0	0	0	0	0	114.1	S383 R389	S383-G385 PolarHBondContact O-N 2.9Å; G385-R389 VanDerWaalsContact O-CG 3.3Å; G385-R389 WeakPolarHBondContact O-CG 3.03Å; G385-R389 PolarHBondContact O-N 2.75Å; G385-R389 VanDerWaalsContact O-N 3.15Å
386	K	92.2	Very high	82.8	Confident	101 Å²	101	79.8 Å²	79.8	44%	0.439	39%	0.394	S	S	.	.	H	α-helix	trans	-64.3	-48.3	172.3	-178.5	-176.1	175.1	-173.9	0	110.8	W382 S383 V384 V388 R389 S390	W382-K386 HydrophobicContact CB-CD 4.42Å; W382-K386 HydrophobicContact CD2-CD 3.81Å; W382-K386 HydrophobicContact CD2-CG 4.36Å; W382-K386 HydrophobicContact CE3-CB 4.42Å; W382-K386 HydrophobicContact CE3-CD 3.7Å; W382-K386 HydrophobicContact CE3-CG 3.75Å; W382-K386 HydrophobicContact CG-CD 4.15Å; W382-K386 HydrophobicContact CZ3-CD 4.23Å; W382-K386 HydrophobicContact CZ3-CG 4.15Å; S383-K386 WeakPolarHBondContact O-CB 3.38Å; S383-K386 PolarHBondContact O-N 3.5Å; S383-K386 WeakPolarHBondContact OG-CB 3.46Å; S383-K386 PolarHBondContact OG-N 3.22Å; V384-K386 VanDerWaalsContact C-N 3.34Å; V384-K386 PolarHBondContact O-N 3.22Å; K386-V388 PolarHBondContact O-N 3.43Å; K386-R389 PolarHBondContact O-N 3.48Å; K386-S390 PolarHBondContact O-N 2.94Å; K386-S390 PolarHBondContact O-OG 3.02Å
387	Y	93	Very high	80.8	Confident	10 Å²	10	87.3 Å²	87.3	4%	0.039	42%	0.422	C	S	.	.	H	α-helix	trans	-56.6	-50	177.4	165.4	-103.8	0	0	0	112	C349 D350 I353 H354 Y379 S383 V384 R389 S390 Y391	C349-Y387 HydrophobicContact CB-CD1 3.69Å; C349-Y387 HydrophobicContact CB-CD2 4.03Å; C349-Y387 HydrophobicContact CB-CE1 4.01Å; C349-Y387 HydrophobicContact CB-CE2 4.34Å; C349-Y387 HydrophobicContact CB-CG 3.7Å; C349-Y387 WeakPolarHBondContact O-CE2 3.5Å; C349-Y387 VanDerWaalsContact O-CZ 3.29Å; C349-Y387 PolarHBondContact O-OH 3.05Å; D350-Y387 VanDerWaalsContact CA-OH 3.27Å; D350-Y387 WeakPolarHBondContact CA-OH 3.44Å; I353-Y387 HydrophobicContact CG2-CD1 3.87Å; I353-Y387 HydrophobicContact CG2-CE1 3.75Å; H354-Y387 AromaticContact CE1-CE1 3.83Å; Y379-Y387 AromaticContact CD1-CD2 3.98Å; Y379-Y387 HydrophobicContact CD1-CD2 3.98Å; Y379-Y387 AromaticContact CD2-CD2 3.71Å; Y379-Y387 HydrophobicContact CD2-CD2 3.71Å; Y379-Y387 AromaticContact CD2-CE2 3.7Å; Y379-Y387 HydrophobicContact CD2-CE2 3.7Å; Y379-Y387 HydrophobicContact CE1-CD2 4.08Å; Y379-Y387 HydrophobicContact CE1-CE2 4.35Å; Y379-Y387 AromaticContact CE2-CD2 3.84Å; Y379-Y387 HydrophobicContact CE2-CD2 3.84Å; Y379-Y387 AromaticContact CE2-CE2 3.46Å; Y379-Y387 HydrophobicContact CE2-CE2 3.46Å; Y379-Y387 VanDerWaalsContact CE2-CE2 3.46Å; Y379-Y387 AromaticContact CG-CD2 3.79Å; Y379-Y387 HydrophobicContact CG-CD2 3.79Å; Y379-Y387 HydrophobicContact CG-CE2 4.26Å; Y379-Y387 AromaticContact CZ-CE2 3.81Å; S383-Y387 PolarHBondContact O-N 3.07Å; S383-Y387 VanDerWaalsContact O-N 3.15Å; V384-Y387 PolarHBondContact O-N 3.23Å; Y387-R389 VanDerWaalsContact C-N 3.31Å; Y387-R389 PolarHBondContact O-N 3.35Å; Y387-S390 WeakPolarHBondContact CA-OG 3.34Å; Y387-S390 PolarHBondContact O-N 3Å; Y387-S390 PolarHBondContact O-OG 2.97Å; Y387-Y391 PolarHBondContact O-N 3.26Å
388	V	90.8	Very high	78.7	Confident	3 Å²	3	87.9 Å²	87.9	2%	0.018	43%	0.429	C	S	.	.	H	α-helix	trans	-62.4	-38.4	-178.7	175	0	0	0	0	111.3	I353 F357 V384 K386 Y391 Y392	I353-V388 HydrophobicContact CG2-CG2 4.33Å; F357-V388 HydrophobicContact CB-CG2 4.03Å; F357-V388 HydrophobicContact CD1-CB 3.83Å; F357-V388 HydrophobicContact CD1-CG1 3.55Å; F357-V388 HydrophobicContact CD1-CG2 3.9Å; F357-V388 HydrophobicContact CE1-CB 4.01Å; F357-V388 HydrophobicContact CE1-CG1 3.72Å; F357-V388 HydrophobicContact CG-CB 4.26Å; F357-V388 HydrophobicContact CG-CG1 4.4Å; F357-V388 HydrophobicContact CG-CG2 3.92Å; V384-V388 HydrophobicContact CG1-CG2 4.25Å; V384-V388 WeakPolarHBondContact O-CG2 3.3Å; V384-V388 PolarHBondContact O-N 3.3Å; K386-V388 PolarHBondContact O-N 3.43Å; V388-Y391 PolarHBondContact O-N 3.42Å; V388-Y392 HydrophobicContact CG1-CE2 4.17Å; V388-Y392 WeakPolarHBondContact O-CD2 3.44Å
389	R	88.3	Confident	76.5	Confident	160 Å²	160	90.9 Å²	90.9	60%	0.604	44%	0.44	S	S	*	.	H	α-helix	trans	-64.7	-46.8	175.6	-70.4	177.4	-164.7	118	-7.6	112	G385 K386 Y387 Y391 Y392 E393	G385-R389 VanDerWaalsContact O-CG 3.3Å; G385-R389 WeakPolarHBondContact O-CG 3.03Å; G385-R389 PolarHBondContact O-N 2.75Å; G385-R389 VanDerWaalsContact O-N 3.15Å; K386-R389 PolarHBondContact O-N 3.48Å; Y387-R389 VanDerWaalsContact C-N 3.31Å; Y387-R389 PolarHBondContact O-N 3.35Å; R389-Y391 VanDerWaalsContact C-N 3.25Å; R389-Y391 PolarHBondContact O-N 3.21Å; R389-Y392 PolarHBondContact O-N 3.15Å; R389-Y392 VanDerWaalsContact O-N 3.15Å; R389-E393 PolarHBondContact O-N 3.31Å
390	S	85.7	Confident	74	Confident	23 Å²	23	95.7 Å²	95.7	16%	0.161	47%	0.47	C	S	.	.	H	α-helix	trans	-62.9	-30.7	179.1	54.8	0	0	0	0	113.4	K386 Y387 Y392 E393	K386-S390 PolarHBondContact O-N 2.94Å; K386-S390 PolarHBondContact O-OG 3.02Å; Y387-S390 WeakPolarHBondContact CA-OG 3.34Å; Y387-S390 PolarHBondContact O-N 3Å; Y387-S390 PolarHBondContact O-OG 2.97Å; S390-Y392 PolarHBondContact O-N 2.87Å; S390-E393 PolarHBondContact O-N 3.25Å; S390-E393 VanDerWaalsContact O-N 3.11Å
391	Y	76.8	Confident	71.4	Confident	97 Å²	97	96.2 Å²	96.2	38%	0.38	48%	0.482	S	S	.	.	H	α-helix	trans	-59.9	-29.8	177.2	-172.5	-94	0	0	0	112.7	H354 Y387 V388 R389	H354-Y391 AromaticContact NE2-CD1 3.67Å; H354-Y391 AromaticContact NE2-CG 3.88Å; Y387-Y391 PolarHBondContact O-N 3.26Å; V388-Y391 PolarHBondContact O-N 3.42Å; R389-Y391 VanDerWaalsContact C-N 3.25Å; R389-Y391 PolarHBondContact O-N 3.21Å
392	Y	66.1	Low	68.9	Low	109 Å²	109	102 Å²	102	43%	0.427	50%	0.501	S	S	.	.	H	α-helix	trans	-93.1	-12.8	177	-67.2	-78.9	0	0	0	114	Y358 V388 R389 S390 E394 C395	Y358-Y392 WeakPolarHBondContact OH-CE2 3.3Å; Y358-Y392 VanDerWaalsContact OH-CZ 3.25Å; Y358-Y392 PolarHBondContact OH-OH 3.41Å; V388-Y392 HydrophobicContact CG1-CE2 4.17Å; V388-Y392 WeakPolarHBondContact O-CD2 3.44Å; R389-Y392 PolarHBondContact O-N 3.15Å; R389-Y392 VanDerWaalsContact O-N 3.15Å; S390-Y392 PolarHBondContact O-N 2.87Å; Y392-E394 VanDerWaalsContact C-N 3.27Å; Y392-C395 PolarHBondContact O-N 3.04Å
393	E	62.1	Low	66	Low	154 Å²	154	107.9 Å²	107.9	72%	0.72	52%	0.524	S	S	*	.	H	α-helix	trans	-71.4	-25.8	174.2	-70.9	175.6	-178.6	0	0	111.9	R389 S390	R389-E393 PolarHBondContact O-N 3.31Å; S390-E393 PolarHBondContact O-N 3.25Å; S390-E393 VanDerWaalsContact O-N 3.11Å
394	E	51	Low	63.3	Low	164 Å²	164	110.2 Å²	110.2	77%	0.766	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	-6.5	175.1	-65.9	-176.5	175.4	0	0	113.7	Y392	Y392-E394 VanDerWaalsContact C-N 3.27Å
395	C	47.9	Very low	60.8	Low	72 Å²	72	118.9 Å²	118.9	49%	0.486	58%	0.578	S	S	.	*	S	Bend	trans	-78.6	127.1	174.6	-113.3	0	0	0	0	109.8	Y392 K397	Y392-C395 PolarHBondContact O-N 3.04Å; C395-K397 PolarHBondContact O-N 3.38Å; C395-K397 VanDerWaalsContact O-N 3.12Å
396	P	44	Very low	58.5	Low	109 Å²	109	125 Å²	125	71%	0.708	61%	0.609	S	S	*	*			trans	-53.9	123.6	174.1	-21	30	0	0	0	109.6	D398	P396-D398 PolarHBondContact O-N 2.99Å
397	K	53.5	Low	55.8	Low	202 Å²	202	130.1 Å²	130.1	88%	0.878	63%	0.631	S	S	*	*			trans	-69.8	36	178.1	-66.8	-174.4	177.7	-177.5	0	112.9	C395	C395-K397 PolarHBondContact O-N 3.38Å; C395-K397 VanDerWaalsContact O-N 3.12Å
398	D	51.2	Low	53.6	Low	142 Å²	142	136.7 Å²	136.7	76%	0.759	67%	0.667	S	S	*	*			trans	-100.2	107.1	178	-76.6	-28.2	0	0	0	110.3	P396	P396-D398 PolarHBondContact O-N 2.99Å
399	K	46.1	Very low	51.3	Low	199 Å²	199	143 Å²	143	87%	0.865	70%	0.7	S	S	*	*	S	Bend	trans	88.1	57.6	166.1	-54.2	-178.1	179.2	178.3	0	118
400	L	42.5	Very low	49.2	Very low	167 Å²	167	143.1 Å²	143.1	87%	0.874	71%	0.713	S	S	*	*			trans	-121.2	121.5	139	-73.8	168.4	0	0	0	108.5	I402	L400-I402 PolarHBondContact O-N 2.79Å
401	T	41.4	Very low	46.9	Very low	119 Å²	119	148.7 Å²	148.7	73%	0.73	73%	0.734	S	S	*	*			trans	-50.1	132.2	174.5	32.6	0	0	0	0	110.3	Y403	T401-Y403 WeakPolarHBondContact O-CD2 3.39Å; T401-Y403 PolarHBondContact O-N 3.31Å
402	I	40.6	Very low	45.6	Very low	167 Å²	167	150.1 Å²	150.1	86%	0.856	75%	0.749	S	S	*	*			trans	-46.3	108.4	177.9	-61.7	158.9	0	0	0	109.7	L400	L400-I402 PolarHBondContact O-N 2.79Å
403	Y	33.5	Very low	44.8	Very low	197 Å²	197	152.5 Å²	152.5	77%	0.773	77%	0.768	S	S	*	*			trans	-86.2	142	154.9	-79.1	-87.5	0	0	0	107.4	T401 E405	T401-Y403 WeakPolarHBondContact O-CD2 3.39Å; T401-Y403 PolarHBondContact O-N 3.31Å; Y403-E405 PolarHBondContact O-N 3.24Å
404	P	37.2	Very low	43.7	Very low	109 Å²	109	151.8 Å²	151.8	71%	0.708	77%	0.765	S	S	*	*			trans	-60.7	123.4	-169.7	20.8	-29.8	0	0	0	111.8	N406	P404-N406 PolarHBondContact O-N 3.47Å
405	E	43	Very low	43.2	Very low	182 Å²	182	148.4 Å²	148.4	85%	0.85	75%	0.749	S	S	*	*			trans	-56.4	100	165.1	-70.7	174	168.7	0	0	109	Y403	Y403-E405 PolarHBondContact O-N 3.24Å
406	N	41.9	Very low	43.1	Very low	139 Å²	139	153.8 Å²	153.8	74%	0.743	76%	0.76	S	S	*	*			trans	-162.3	78.3	161.3	-88	-34.1	0	0	0	106.2	P404	P404-N406 PolarHBondContact O-N 3.47Å
407	F	35.8	Very low	43.2	Very low	208 Å²	208	153.7 Å²	153.7	91%	0.912	75%	0.75	S	S	*	*			trans	-173.8	46.3	151.8	-97.5	-68.2	0	0	0	109.4
408	D	45.4	Very low	42.5	Very low	148 Å²	148	151 Å²	151	79%	0.791	73%	0.734	S	S	*	*			trans	-87.3	102.7	157.4	-84.7	-26.4	0	0	0	107.6
409	L	42.6	Very low	42.1	Very low	136 Å²	136	149.2 Å²	149.2	71%	0.712	72%	0.721	S	S	*	*			trans	-139.9	90.5	157.4	-77.7	-179.6	0	0	0	109.4	K411	L409-K411 VanDerWaalsContact C-N 3.25Å; L409-K411 PolarHBondContact O-N 3.3Å
410	D	44.1	Very low	41.9	Very low	163 Å²	163	145.4 Å²	145.4	87%	0.872	71%	0.705	S	S	*	*			trans	-58.7	73.7	160.2	-72.7	-44.9	0	0	0	112.1
411	K	39.3	Very low	41.8	Very low	140 Å²	140	144.7 Å²	144.7	61%	0.609	70%	0.697	S	S	*	*			trans	-131.1	-6.4	176.6	-78.1	-166.3	177.6	179.8	0	117.7	L409	L409-K411 VanDerWaalsContact C-N 3.25Å; L409-K411 PolarHBondContact O-N 3.3Å
412	D	49.6	Very low	41.8	Very low	127 Å²	127	145.6 Å²	145.6	68%	0.679	69%	0.693	S	S	*	*	H	α-helix	trans	-85.7	-14.3	-170.2	-69.3	-15.9	0	0	0	114.8
413	D	47.6	Very low	41.8	Very low	158 Å²	158	141.2 Å²	141.2	85%	0.845	68%	0.677	S	S	*	*	H	α-helix	trans	-86.3	-24	-179.1	-73	-23.7	0	0	0	113.4
414	E	40.4	Very low	42.2	Very low	140 Å²	140	137.5 Å²	137.5	65%	0.654	67%	0.674	S	S	*	*	H	α-helix	trans	-94.2	-21.7	175.9	-76	-167.1	173	0	0	114	W416 R418	E414-W416 VanDerWaalsContact C-N 3.31Å; E414-R418 IonicContact OE2-NH2 3.98Å
415	E	38.8	Very low	42.2	Very low	92 Å²	92	140.3 Å²	140.3	43%	0.43	68%	0.678	S	S	.	*	H	α-helix	trans	-72.7	-27.2	178.7	-144.5	173	-170.2	0	0	111.9	E417 R418 H419	E415-E417 PolarHBondContact O-N 3.22Å; E415-R418 PolarHBondContact O-N 3.15Å; E415-H419 PolarHBondContact O-CD2 3.11Å; E415-H419 VanDerWaalsContact O-CD2 3.24Å; E415-H419 PolarHBondContact O-N 2.92Å; E415-H419 VanDerWaalsContact O-N 3.07Å; E415-H419 IonicContact OE1-NE2 3.64Å
416	W	46.9	Very low	42	Very low	186 Å²	186	136.9 Å²	136.9	71%	0.705	67%	0.67	S	S	*	*	H	α-helix	trans	-64.8	-37	178.2	-178.7	-110.6	0	0	0	114.3	E414	E414-W416 VanDerWaalsContact C-N 3.31Å
417	E	45.1	Very low	41.8	Very low	107 Å²	107	136.5 Å²	136.5	50%	0.5	67%	0.672	S	S	.	*	H	α-helix	trans	-77.3	-26.5	176.3	-73.3	-62.8	160.4	0	0	112.4	E415 K420	E415-E417 PolarHBondContact O-N 3.22Å; E417-K420 IonicContact OE1-NZ 3.72Å; E417-K420 PolarHBondContact OE1-NZ 3.36Å; E417-K420 WeakPolarHBondContact OE2-CD 3.02Å; E417-K420 IonicContact OE2-NZ 3.96Å; E417-K420 PolarHBondContact OE2-NZ 3.41Å
418	R	39	Very low	42.2	Very low	144 Å²	144	135.7 Å²	135.7	54%	0.543	67%	0.668	S	S	.	*	H	α-helix	trans	-75.6	-37	175.1	-77.3	-172.8	-73.5	-117.5	-7.1	113.4	E414 E415 K420 E421 Q422	E414-R418 IonicContact OE2-NH2 3.98Å; E415-R418 PolarHBondContact O-N 3.15Å; R418-K420 PolarHBondContact O-N 2.96Å; R418-E421 PolarHBondContact O-N 3.12Å; R418-Q422 PolarHBondContact O-N 2.79Å
419	H	44.2	Very low	42.1	Very low	106 Å²	106	137.3 Å²	137.3	49%	0.491	67%	0.668	S	S	.	*	H	α-helix	trans	-68.5	-20.3	176.3	-83.3	-69.7	0	0	0	113.8	E415 S423	E415-H419 PolarHBondContact O-CD2 3.11Å; E415-H419 VanDerWaalsContact O-CD2 3.24Å; E415-H419 PolarHBondContact O-N 2.92Å; E415-H419 VanDerWaalsContact O-N 3.07Å; E415-H419 IonicContact OE1-NE2 3.64Å; H419-S423 WeakPolarHBondContact O-CB 3.21Å; H419-S423 PolarHBondContact O-N 3.21Å; H419-S423 PolarHBondContact O-OG 3.43Å
420	K	40.9	Very low	41.6	Very low	119 Å²	119	139.4 Å²	139.4	52%	0.517	67%	0.674	S	S	.	*	H	α-helix	trans	-76.3	-27.7	176.4	-156.8	177.3	176.5	-172.3	0	113	E417 R418 V424	E417-K420 IonicContact OE1-NZ 3.72Å; E417-K420 PolarHBondContact OE1-NZ 3.36Å; E417-K420 WeakPolarHBondContact OE2-CD 3.02Å; E417-K420 IonicContact OE2-NZ 3.96Å; E417-K420 PolarHBondContact OE2-NZ 3.41Å; R418-K420 PolarHBondContact O-N 2.96Å; K420-V424 WeakPolarHBondContact O-CG2 3.48Å
421	E	40.5	Very low	41.3	Very low	151 Å²	151	135.4 Å²	135.4	71%	0.706	67%	0.671	S	S	*	*	H	α-helix	trans	-88.4	-35.9	177.2	-74.4	-172.7	153	0	0	113.3	R418	R418-E421 PolarHBondContact O-N 3.12Å
422	Q	41.3	Very low	41	Very low	139 Å²	139	134.7 Å²	134.7	65%	0.65	68%	0.678	S	S	*	*	H	α-helix	trans	-74.6	-29.5	179.8	-80.2	-176.9	-10.8	0	0	114.2	R418 V424 T426	R418-Q422 PolarHBondContact O-N 2.79Å; Q422-V424 VanDerWaalsContact C-N 3.3Å; Q422-V424 PolarHBondContact O-N 3.04Å; Q422-T426 PolarHBondContact O-OG1 3.04Å
423	S	40.5	Very low	40.4	Very low	75 Å²	75	135.9 Å²	135.9	52%	0.524	68%	0.683	S	S	.	*	H	α-helix	trans	-76.9	-14.2	178.4	57	0	0	0	0	113.8	H419	H419-S423 WeakPolarHBondContact O-CB 3.21Å; H419-S423 PolarHBondContact O-N 3.21Å; H419-S423 PolarHBondContact O-OG 3.43Å
424	V	41.3	Very low	39.8	Very low	118 Å²	118	134 Å²	134	72%	0.715	68%	0.677	S	S	*	*	H	α-helix	trans	-90.9	-19.5	177.6	177.8	0	0	0	0	112.3	K420 Q422	K420-V424 WeakPolarHBondContact O-CG2 3.48Å; Q422-V424 VanDerWaalsContact C-N 3.3Å; Q422-V424 PolarHBondContact O-N 3.04Å
425	Q	37.7	Very low	39.4	Very low	169 Å²	169	132.5 Å²	132.5	79%	0.79	68%	0.678	S	S	*	*	H	α-helix	trans	-96.2	-11.6	-179.2	-75.8	-173.9	-4.8	0	0	115.6
426	T	39.5	Very low	39.3	Very low	110 Å²	110	134.5 Å²	134.5	68%	0.675	70%	0.695	S	S	*	*	S	Bend	trans	-103.4	15.5	-171.6	36.3	0	0	0	0	116.4	Q422	Q422-T426 PolarHBondContact O-OG1 3.04Å
427	V	37	Very low	38.6	Very low	130 Å²	130	133 Å²	133	79%	0.788	70%	0.7	S	S	*	*	S	Bend	trans	-110.7	20.4	176.1	-166.8	0	0	0	0	113.5
428	K	45.3	Very low	38.2	Very low	191 Å²	191	134.9 Å²	134.9	83%	0.83	75%	0.748	S	S	*	*	S	Bend	trans	-122.5	120.1	165.2	-80.6	-175.8	177.3	176.9	0	110.4
429	K	42.2	Very low	38.2	Very low	183 Å²	183	134.5 Å²	134.5	80%	0.796	76%	0.758	S	S	*	*			trans	85.8	113.8	-168.1	-57.4	174	175.8	179.6	0	109.3
430	H	33.4	Very low	37.9	Very low	179 Å²	179	135.9 Å²	135.9	83%	0.829	77%	0.772	S	S	*	*				-146.8	125.4	63.1	-71.3	69.5	0	0	0	111.4
431	G	36.6	Very low	37.7	Very low	79 Å²	79	136.9 Å²	136.9	81%	0.814	79%	0.786	S	S	*	*	P	Polyproline II helix	trans	-79.7	129.5	157.5	0	0	0	0	0	108.5
432	V	34.1	Very low	37.5	Very low	125 Å²	125	136.1 Å²	136.1	76%	0.758	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-89.1	118.9	176.8	178.3	0	0	0	0	108.4	V434	V432-V434 HydrophobicContact CG1-CG2 4.17Å
433	I	36.8	Very low	37.3	Very low	153 Å²	153	135.9 Å²	135.9	79%	0.785	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-85.7	121.5	164	-64.7	172.7	0	0	0	106.4
434	V	33.9	Very low	37.1	Very low	119 Å²	119	139.9 Å²	139.9	72%	0.721	82%	0.818	S	S	*	*			trans	-94.7	114	172.9	179.2	0	0	0	0	108	V432	V432-V434 HydrophobicContact CG1-CG2 4.17Å
435	T	33	Very low	36.8	Very low	108 Å²	108	141.5 Å²	141.5	66%	0.663	83%	0.826	S	S	*	*			trans	-94.4	120	169.7	-46.3	0	0	0	0	108.4	I437	T435-I437 HydrophobicContact CG2-CD1 4.29Å; T435-I437 HydrophobicContact CG2-CG1 3.99Å
436	V	36	Very low	36.7	Very low	133 Å²	133	139.4 Å²	139.4	81%	0.806	83%	0.828	S	S	*	*			trans	-88.7	126.5	169.5	179.1	0	0	0	0	107.6
437	I	31.9	Very low	36.5	Very low	156 Å²	156	141.8 Å²	141.8	80%	0.8	84%	0.841	S	S	*	*			trans	-132	124.1	169.3	-53.3	-179.9	0	0	0	108.5	T435	T435-I437 HydrophobicContact CG2-CD1 4.29Å; T435-I437 HydrophobicContact CG2-CG1 3.99Å
438	G	37.9	Very low	36.5	Very low	146 Å²	146	142.9 Å²	142.9	100%	1.505	85%	0.846	S	S	*	*			trans	87	0	155.1	0	0	0	0	0	115.9

Retrieved 438 of 438 residues in 118.4 ms (Link to these results)

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