A0A060Z731_ONCMY Loading...

Leucine-rich repeat-containing protein 3

AlphaFold DB , UniProt , Accession A0A060Z731, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110495448, Length 266 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.5	Very low	37.1	Very low	252 Å²	252	161.8 Å²	161.8	100%	1.241	86%	0.864	S	S	*	*				0	92.1	0	-78.1	148.9	174.4	0	0	108.1
2	G	38.2	Very low	36.7	Very low	71 Å²	71	156.4 Å²	156.4	73%	0.732	85%	0.848	S	S	*	*			trans	-122.7	125.8	168.6	0	0	0	0	0	107
3	P	41.9	Very low	36.7	Very low	126 Å²	126	154.5 Å²	154.5	82%	0.818	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-79.2	159.7	-177.6	32	-31.5	0	0	0	111.5
4	P	38.3	Very low	37	Very low	123 Å²	123	150.4 Å²	150.4	80%	0.799	84%	0.836	S	S	*	*	P	Polyproline II helix	trans	-86.9	160.9	-159.5	35.1	-34.8	0	0	0	114
5	Q	46.1	Very low	36.6	Very low	192 Å²	192	148.4 Å²	148.4	90%	0.897	84%	0.837	S	S	*	*	P	Polyproline II helix	trans	-57.5	147.6	170.2	-66.5	179.2	-34.4	0	0	112.6
6	P	37.5	Very low	36.7	Very low	118 Å²	118	152.3 Å²	152.3	77%	0.766	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-100.6	128.1	160.2	26.4	-13.8	0	0	0	113.1
7	R	33.5	Very low	36.7	Very low	217 Å²	217	150.6 Å²	150.6	82%	0.819	84%	0.842	S	S	*	*			trans	-35.4	129.2	158.9	-93.7	166.7	170.6	174.4	-1.6	113.7	Q9	R7-Q9 PolarHBondContact O-N 3.42Å
8	W	30.3	Very low	37.1	Very low	258 Å²	258	149.7 Å²	149.7	98%	0.977	84%	0.841	S	S	*	*			trans	-77.4	104.2	155.7	-66.7	100.8	0	0	0	108.9
9	Q	33.2	Very low	37.2	Very low	149 Å²	149	147.2 Å²	147.2	70%	0.696	83%	0.834	S	S	*	*			trans	-96.5	127.1	163.3	-76.9	-179	-36.9	0	0	108.5	R7	R7-Q9 PolarHBondContact O-N 3.42Å
10	A	38.9	Very low	37.7	Very low	106 Å²	106	146.6 Å²	146.6	88%	0.876	83%	0.834	S	S	*	*			trans	-60.2	133.3	172.8	0	0	0	0	0	110.7
11	L	32.4	Very low	38	Very low	168 Å²	168	142.9 Å²	142.9	88%	0.88	82%	0.817	S	S	*	*			trans	-121.8	125.8	168.6	-86.4	154.1	0	0	0	108.9
12	S	32.8	Very low	38.5	Very low	97 Å²	97	136.2 Å²	136.2	68%	0.678	79%	0.792	S	S	*	*			trans	-70.5	158	-177.9	40.6	0	0	0	0	113.2	S14	S12-S14 PolarHBondContact O-N 3.29Å
13	P	36.3	Very low	39	Very low	131 Å²	131	137.8 Å²	137.8	85%	0.851	79%	0.788	S	S	*	*	S	Bend	trans	-92.6	95.8	-177.2	34.7	-28.5	0	0	0	110.7
14	S	41.8	Very low	39.2	Very low	97 Å²	97	140 Å²	140	68%	0.678	78%	0.78	S	S	*	*			trans	-162	89.1	161.8	47	0	0	0	0	111.5	S12	S12-S14 PolarHBondContact O-N 3.29Å
15	S	31.1	Very low	39.7	Very low	121 Å²	121	138.6 Å²	138.6	85%	0.846	77%	0.768	S	S	*	*			trans	-159.5	96.5	154.2	-77.5	0	0	0	0	109.4	C17	S15-C17 PolarHBondContact O-N 3.35Å
16	F	38.3	Very low	39.7	Very low	211 Å²	211	136.4 Å²	136.4	93%	0.925	76%	0.762	S	S	*	*			trans	-49.9	123.7	160.3	-92.4	-108.8	0	0	0	109.5
17	C	35.4	Very low	40.1	Very low	123 Å²	123	134.9 Å²	134.9	83%	0.831	75%	0.754	S	S	*	*			trans	-112.7	109.4	162.1	-109.7	0	0	0	0	109.3	S15	S15-C17 PolarHBondContact O-N 3.35Å
18	V	44	Very low	40.8	Very low	135 Å²	135	129.9 Å²	129.9	82%	0.818	74%	0.743	S	S	*	*			trans	-62.4	121.6	168.5	175	0	0	0	0	108.8
19	S	38.6	Very low	41.7	Very low	102 Å²	102	122.4 Å²	122.4	71%	0.713	73%	0.725	S	S	*	*			trans	-158.6	128.5	157.5	-163.7	0	0	0	0	111
20	T	47.7	Very low	42.6	Very low	135 Å²	135	118.5 Å²	118.5	83%	0.828	72%	0.718	S	S	*	*			trans	-77.7	111.6	-171.4	44.7	0	0	0	0	111.9
21	S	43.8	Very low	43.1	Very low	68 Å²	68	116.7 Å²	116.7	48%	0.476	70%	0.703	S	S	.	*			trans	-152.9	132.6	162.5	179.3	0	0	0	0	110.5	V23	S21-V23 PolarHBondContact O-N 3.43Å; S21-V23 VanDerWaalsContact O-N 3.12Å
22	P	48.4	Very low	44	Very low	113 Å²	113	115.7 Å²	115.7	73%	0.734	70%	0.698	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-7.1	-176	29.1	-34.5	0	0	0	113.7	T25	P22-T25 PolarHBondContact O-OG1 3.48Å
23	V	49.5	Very low	44.7	Very low	104 Å²	104	118 Å²	118	63%	0.63	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-21.8	-176.6	-170.8	0	0	0	0	112.3	S21	S21-V23 PolarHBondContact O-N 3.43Å; S21-V23 VanDerWaalsContact O-N 3.12Å
24	R	45.6	Very low	45.4	Very low	173 Å²	173	116.4 Å²	116.4	65%	0.653	69%	0.688	S	S	*	*	H	α-helix	trans	-79.7	-22.6	177.3	-87.1	-177	171.9	-176	-2.4	114	L26 C27 L28	R24-L26 PolarHBondContact O-N 3.33Å; R24-C27 PolarHBondContact O-N 2.91Å; R24-C27 VanDerWaalsContact O-N 3.1Å; R24-L28 PolarHBondContact O-N 3.27Å
25	T	48	Very low	45.8	Very low	92 Å²	92	116.7 Å²	116.7	56%	0.564	69%	0.685	S	S	*	*	H	α-helix	trans	-67.4	-27	177.8	-24.8	0	0	0	0	111.3	P22 V29	P22-T25 PolarHBondContact O-OG1 3.48Å; T25-V29 WeakPolarHBondContact O-CG2 3.4Å; T25-V29 PolarHBondContact O-N 2.85Å
26	L	46.9	Very low	46.7	Very low	147 Å²	147	118.2 Å²	118.2	77%	0.77	68%	0.681	S	S	*	*	H	α-helix	trans	-73.2	-35.2	171.2	-139.3	79.8	0	0	0	112.1	R24 A30	R24-L26 PolarHBondContact O-N 3.33Å; L26-A30 PolarHBondContact O-N 3.29Å
27	C	46.6	Very low	47.5	Very low	86 Å²	86	114.2 Å²	114.2	58%	0.581	67%	0.673	S	S	*	*	H	α-helix	trans	-74.3	-33.7	175.9	-77	0	0	0	0	113.5	R24 V29 A30 A31	R24-C27 PolarHBondContact O-N 2.91Å; R24-C27 VanDerWaalsContact O-N 3.1Å; C27-V29 VanDerWaalsContact C-N 3.33Å; C27-A30 PolarHBondContact O-N 3.22Å; C27-A31 WeakPolarHBondContact O-CB 3.4Å; C27-A31 PolarHBondContact O-N 2.93Å
28	L	46.7	Very low	48.7	Very low	112 Å²	112	111.2 Å²	111.2	59%	0.586	65%	0.651	S	S	*	*	H	α-helix	trans	-69.5	-30.3	177.3	-88.5	154.4	0	0	0	112.4	R24	R24-L28 PolarHBondContact O-N 3.27Å
29	V	49.9	Very low	50.2	Low	100 Å²	100	109 Å²	109	61%	0.606	64%	0.64	S	S	*	*	H	α-helix	trans	-78.6	-29.4	173	-177.8	0	0	0	0	111.4	T25 C27	T25-V29 WeakPolarHBondContact O-CG2 3.4Å; T25-V29 PolarHBondContact O-N 2.85Å; C27-V29 VanDerWaalsContact C-N 3.33Å
30	A	51.6	Low	52.5	Low	67 Å²	67	106 Å²	106	55%	0.554	62%	0.618	S	S	*	*	H	α-helix	trans	-73.4	-31	172.6	0	0	0	0	0	113.2	L26 C27 L32 M33	L26-A30 PolarHBondContact O-N 3.29Å; C27-A30 PolarHBondContact O-N 3.22Å; A30-L32 VanDerWaalsContact C-N 3.34Å; A30-M33 PolarHBondContact O-N 2.69Å
31	A	50.6	Low	54.5	Low	69 Å²	69	99.7 Å²	99.7	57%	0.57	58%	0.579	S	S	*	*	H	α-helix	trans	-76.9	-16.5	178.3	0	0	0	0	0	114	C27	C27-A31 WeakPolarHBondContact O-CB 3.4Å; C27-A31 PolarHBondContact O-N 2.93Å
32	L	50.7	Low	56.5	Low	147 Å²	147	106.8 Å²	106.8	77%	0.77	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89	-3.4	172.1	-102.6	131.6	0	0	0	113.5	A30	A30-L32 VanDerWaalsContact C-N 3.34Å
33	M	48	Very low	58.3	Low	144 Å²	144	103.6 Å²	103.6	71%	0.709	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	32.1	173.5	-62	-69.8	-114.5	0	0	111.2	A30 V35	A30-M33 PolarHBondContact O-N 2.69Å; M33-V35 PolarHBondContact O-N 3.3Å
34	V	50	Low	60.4	Low	98 Å²	98	99.3 Å²	99.3	59%	0.594	56%	0.557	S	S	*	*			trans	-73.4	74.1	151.8	-170	0	0	0	0	105.6	M36	V34-M36 VanDerWaalsContact C-N 3.27Å; V34-M36 HydrophobicContact CG1-SD 4.32Å; V34-M36 PolarHBondContact O-N 3.27Å
35	V	50	Low	62.7	Low	104 Å²	104	95.9 Å²	95.9	63%	0.63	55%	0.548	S	S	*	.			trans	-55.1	109.6	154.3	177.6	0	0	0	0	102.8	M33 V37	M33-V35 PolarHBondContact O-N 3.3Å; V35-V37 PolarHBondContact O-N 3.13Å
36	M	50.6	Low	64.8	Low	153 Å²	153	92.7 Å²	92.7	75%	0.754	53%	0.529	S	S	*	.			trans	-54.6	95.9	167.8	-62.5	-68.4	-178.5	0	0	104.5	V34 T38	V34-M36 VanDerWaalsContact C-N 3.27Å; V34-M36 HydrophobicContact CG1-SD 4.32Å; V34-M36 PolarHBondContact O-N 3.27Å; M36-T38 PolarHBondContact O-N 3.42Å
37	V	54	Low	67	Low	126 Å²	126	86.9 Å²	86.9	76%	0.764	50%	0.5	S	S	*	.			trans	-66.1	96.4	169.9	176.6	0	0	0	0	102.3	V35 P39	V35-V37 PolarHBondContact O-N 3.13Å; V37-P39 WeakPolarHBondContact O-CD 3.37Å; V37-P39 VanDerWaalsContact O-N 3.15Å
38	T	62.4	Low	69	Low	61 Å²	61	89.5 Å²	89.5	37%	0.374	50%	0.504	S	S	.	.			trans	-53.8	123.2	174.3	41.5	0	0	0	0	105.8	M36 C40 M52	M36-T38 PolarHBondContact O-N 3.42Å; T38-C40 PolarHBondContact O-N 3Å; T38-M52 HydrophobicContact CG2-CE 4.09Å
39	P	73.9	Confident	70.5	Confident	88 Å²	88	94.3 Å²	94.3	57%	0.571	51%	0.514	S	S	*	.			trans	-67.6	91.2	-178.5	25.2	-30.1	0	0	0	107	V37 P69	V37-P39 WeakPolarHBondContact O-CD 3.37Å; V37-P39 VanDerWaalsContact O-N 3.15Å; P39-P69 HydrophobicContact CG-CB 4.36Å; P39-P69 WeakPolarHBondContact O-CD 3.39Å; P39-P69 WeakPolarHBondContact O-CG 3.44Å
40	C	87.4	Confident	71.9	Confident	39 Å²	39	97.4 Å²	97.4	26%	0.264	53%	0.528	S	S	.	.			trans	-108.3	130.4	177.1	-169.2	0	0	0	0	107.5	T38 K42 C46	T38-C40 PolarHBondContact O-N 3Å; C40-K42 PolarHBondContact O-N 3.24Å; C40-C46 VanDerWaalsContact CA-SG 3.55Å; C40-C46 HydrophobicContact CB-CB 3.74Å; C40-C46 WeakPolarHBondContact CB-SG 3.37Å; C40-C46 WeakPolarHBondContact SG-CB 3.44Å; C40-C46 PolarHBondContact SG-N 3.26Å; C40-C46 CovalentContact SG-SG 2.03Å; C40-C46 PolarHBondContact SG-SG 3.39Å
41	P	89.1	Confident	73.5	Confident	2 Å²	2	95.5 Å²	95.5	1%	0.013	52%	0.515	C	S	.	.			trans	-56.5	139.4	175.5	-19.2	26.5	0	0	0	110.5	S43 C44 P65 D67 L68	P41-S43 PolarHBondContact O-N 3.07Å; P41-C44 HydrophobicContact CB-CB 4.04Å; P41-C44 HydrophobicContact CG-CB 4.18Å; P41-C44 PolarHBondContact O-N 3.02Å; P41-P65 HydrophobicContact CB-CB 4.36Å; P41-P65 HydrophobicContact CG-CB 4.27Å; P41-D67 WeakPolarHBondContact CA-OD2 3.19Å; P41-D67 WeakPolarHBondContact CG-O 3.34Å; P41-L68 HydrophobicContact CG-CD2 4Å
42	K	86.3	Confident	75.5	Confident	218 Å²	218	92.9 Å²	92.9	95%	0.948	49%	0.491	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-28.4	-176.4	-66.3	179.7	-178.7	174.7	0	113.6	C40 C44	C40-K42 PolarHBondContact O-N 3.24Å; K42-C44 VanDerWaalsContact C-N 3.35Å
43	S	86.8	Confident	77.6	Confident	45 Å²	45	87.6 Å²	87.6	32%	0.315	47%	0.465	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.9	-6.7	178.7	46.6	0	0	0	0	113.7	P41 R59	P41-S43 PolarHBondContact O-N 3.07Å; S43-R59 WeakPolarHBondContact O-CD 3.27Å; S43-R59 VanDerWaalsContact O-CG 3.23Å; S43-R59 WeakPolarHBondContact O-CG 3.45Å; S43-R59 PolarHBondContact O-NE 3.35Å
44	C	93.2	Very high	79.9	Confident	15 Å²	15	80.8 Å²	80.8	10%	0.101	43%	0.431	C	S	.	.	S	Bend	trans	-118.6	160.3	-171.3	-57	0	0	0	0	112	P41 K42 V54 Q55 C56	P41-C44 HydrophobicContact CB-CB 4.04Å; P41-C44 HydrophobicContact CG-CB 4.18Å; P41-C44 PolarHBondContact O-N 3.02Å; K42-C44 VanDerWaalsContact C-N 3.35Å; C44-V54 HydrophobicContact CB-CG1 4.12Å; C44-Q55 CarbonylContact C-O 3.47Å; C44-Q55 WeakPolarHBondContact CA-O 3.44Å; C44-C56 HydrophobicContact CB-CB 4.13Å; C44-C56 WeakPolarHBondContact CB-SG 3.3Å; C44-C56 WeakPolarHBondContact SG-CB 3.48Å; C44-C56 CovalentContact SG-SG 2.03Å; C44-C56 PolarHBondContact SG-SG 3.14Å
45	H	93.6	Very high	82.1	Confident	101 Å²	101	79.9 Å²	79.9	47%	0.468	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	123.1	173.7	-178.2	63.6	0	0	0	109.5	Q55	H45-Q55 HydrophobicContact CB-CB 4.37Å; H45-Q55 PolarHBondContact N-O 3.49Å; H45-Q55 WeakPolarHBondContact O-CB 3.3Å; H45-Q55 PolarHBondContact O-N 2.61Å
46	C	93.1	Very high	84.2	Confident	24 Å²	24	75 Å²	75	16%	0.162	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	134.9	179.9	-56.5	0	0	0	0	110.4	C40 M52 V53	C40-C46 VanDerWaalsContact CA-SG 3.55Å; C40-C46 HydrophobicContact CB-CB 3.74Å; C40-C46 WeakPolarHBondContact CB-SG 3.37Å; C40-C46 WeakPolarHBondContact SG-CB 3.44Å; C40-C46 PolarHBondContact SG-N 3.26Å; C40-C46 CovalentContact SG-SG 2.03Å; C40-C46 PolarHBondContact SG-SG 3.39Å; C46-M52 HydrophobicContact CB-SD 3.89Å; C46-V53 VanDerWaalsContact CA-O 3.32Å; C46-V53 WeakPolarHBondContact CA-O 3.3Å
47	S	92.3	Very high	86.4	Confident	25 Å²	25	70.2 Å²	70.2	18%	0.175	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.6	131.7	179.1	173.7	0	0	0	0	110.4	V53	S47-V53 PolarHBondContact N-O 3.43Å; S47-V53 PolarHBondContact O-N 3.24Å
48	E	89.5	Confident	88.4	Confident	141 Å²	141	68 Å²	68	66%	0.659	36%	0.36	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.9	74	-177.4	-169.4	-179.2	-165.7	0	0	109.9
49	R	78.1	Confident	90	Very high	213 Å²	213	71.7 Å²	71.7	80%	0.804	37%	0.367	S	S	*	.	S	Bend	trans	-106.7	-39.3	177.5	-66.3	-174.2	-141	-135.8	4.4	113
50	N	78.8	Confident	91	Very high	166 Å²	166	70.9 Å²	70.9	89%	0.888	36%	0.363	S	S	*	.	S	Bend	trans	-140.1	39.4	-179	-76.9	-23.7	0	0	0	110.9
51	G	86.1	Confident	91.4	Very high	27 Å²	27	70.2 Å²	70.2	28%	0.278	36%	0.357	S	S	.	.	S	Bend	trans	110	158.3	-162.9	0	0	0	0	0	111	V53	G51-V53 PolarHBondContact O-N 3.09Å
52	M	92.5	Very high	91.7	Very high	14 Å²	14	75.1 Å²	75.1	7%	0.069	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	116	-179.9	177.7	68.7	89.2	0	0	109.6	T38 C46 V54 P69 D71 V73 T74	T38-M52 HydrophobicContact CG2-CE 4.09Å; C46-M52 HydrophobicContact CB-SD 3.89Å; M52-V54 HydrophobicContact CG-CG2 4.11Å; M52-P69 HydrophobicContact CE-CB 4.13Å; M52-P69 HydrophobicContact CE-CG 4.08Å; M52-P69 HydrophobicContact CG-CB 4.44Å; M52-P69 HydrophobicContact CG-CG 3.92Å; M52-P69 HydrophobicContact SD-CG 4.29Å; M52-D71 HydrophobicContact CB-CB 4.47Å; M52-D71 WeakPolarHBondContact CB-O 3.17Å; M52-V73 PolarHBondContact O-N 2.84Å; M52-T74 PolarHBondContact O-N 2.92Å
53	V	94.9	Very high	92.1	Very high	36 Å²	36	72.1 Å²	72.1	22%	0.218	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	121.1	174.4	-178.5	0	0	0	0	108.2	C46 S47 G51 Q55 T74	C46-V53 VanDerWaalsContact CA-O 3.32Å; C46-V53 WeakPolarHBondContact CA-O 3.3Å; S47-V53 PolarHBondContact N-O 3.43Å; S47-V53 PolarHBondContact O-N 3.24Å; G51-V53 PolarHBondContact O-N 3.09Å; V53-Q55 HydrophobicContact CG1-CG 3.92Å; V53-T74 WeakPolarHBondContact CA-O 3.37Å; V53-T74 HydrophobicContact CG1-CG2 4.23Å
54	V	95.3	Very high	92.4	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	114.9	178.7	-178	0	0	0	0	109	C44 M52 L68 P69 T72 T74 L75 L76	C44-V54 HydrophobicContact CB-CG1 4.12Å; M52-V54 HydrophobicContact CG-CG2 4.11Å; V54-L68 HydrophobicContact CG1-CD2 3.9Å; V54-P69 HydrophobicContact CG2-CG 3.78Å; V54-T72 HydrophobicContact CB-CG2 4.23Å; V54-T72 HydrophobicContact CG2-CG2 3.76Å; V54-T72 WeakPolarHBondContact CG2-OG1 3.3Å; V54-T74 PolarHBondContact N-O 3.13Å; V54-L75 HydrophobicContact CB-CD1 3.85Å; V54-L75 HydrophobicContact CG1-CD1 3.89Å; V54-L76 PolarHBondContact O-N 2.84Å
55	Q	95.8	Very high	92.3	Very high	80 Å²	80	71 Å²	71	37%	0.374	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	107.7	-175.9	-53.9	-174.5	-12.3	0	0	110.8	C44 H45 V53 L76	C44-Q55 CarbonylContact C-O 3.47Å; C44-Q55 WeakPolarHBondContact CA-O 3.44Å; H45-Q55 HydrophobicContact CB-CB 4.37Å; H45-Q55 PolarHBondContact N-O 3.49Å; H45-Q55 WeakPolarHBondContact O-CB 3.3Å; H45-Q55 PolarHBondContact O-N 2.61Å; V53-Q55 HydrophobicContact CG1-CG 3.92Å; Q55-L76 HydrophobicContact CG-CD1 4.15Å
56	C	95.7	Very high	92	Very high	0 Å²	0	72.4 Å²	72.4	0%	0	38%	0.381	C	S	.	.			trans	-119.1	28.4	-178.8	-57.3	0	0	0	0	111.6	C44 R59 L61 L76 L77 N80	C44-C56 HydrophobicContact CB-CB 4.13Å; C44-C56 WeakPolarHBondContact CB-SG 3.3Å; C44-C56 WeakPolarHBondContact SG-CB 3.48Å; C44-C56 CovalentContact SG-SG 2.03Å; C44-C56 PolarHBondContact SG-SG 3.14Å; C56-R59 WeakPolarHBondContact O-CG 3.33Å; C56-L61 HydrophobicContact CB-CD1 3.86Å; C56-L76 CarbonylContact C-O 3.47Å; C56-L76 WeakPolarHBondContact CA-O 3Å; C56-L76 WeakPolarHBondContact CB-O 3.39Å; C56-L76 PolarHBondContact N-O 2.96Å; C56-L77 HydrophobicContact CB-CD2 3.56Å; C56-L77 HydrophobicContact CB-CG 4.39Å; C56-N80 PolarHBondContact O-ND2 3.28Å
57	V	96.4	Very high	91.8	Very high	54 Å²	54	75.1 Å²	75.1	33%	0.327	39%	0.394	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.9	135.6	-173.8	-174.6	0	0	0	0	111.4	R59 L76 S78	V57-R59 VanDerWaalsContact C-N 3.33Å; V57-R59 WeakPolarHBondContact O-CG 3.46Å; V57-R59 PolarHBondContact O-N 3.13Å; V57-L76 HydrophobicContact CG2-CB 3.87Å; V57-S78 WeakPolarHBondContact CA-O 3.49Å
58	S	96.2	Very high	91.7	Very high	80 Å²	80	75 Å²	75	56%	0.559	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.7	40.7	175.7	-58.7	0	0	0	0	114.3	S78 S79	S58-S78 PolarHBondContact N-O 2.97Å; S58-S78 VanDerWaalsContact N-O 3.14Å; S58-S79 VanDerWaalsContact CA-O 3.28Å; S58-S79 WeakPolarHBondContact CA-O 3.5Å; S58-S79 VanDerWaalsContact OG-CB 3.28Å; S58-S79 WeakPolarHBondContact OG-CB 3.28Å
59	R	95.1	Very high	91.8	Very high	138 Å²	138	68.7 Å²	68.7	52%	0.521	36%	0.362	S	S	.	.	S	Bend	trans	-103.1	5.6	-177.5	-60.4	-59.7	-179.4	167.5	2.4	113.7	S43 C56 V57 L61 N80	S43-R59 WeakPolarHBondContact O-CD 3.27Å; S43-R59 VanDerWaalsContact O-CG 3.23Å; S43-R59 WeakPolarHBondContact O-CG 3.45Å; S43-R59 PolarHBondContact O-NE 3.35Å; C56-R59 WeakPolarHBondContact O-CG 3.33Å; V57-R59 VanDerWaalsContact C-N 3.33Å; V57-R59 WeakPolarHBondContact O-CG 3.46Å; V57-R59 PolarHBondContact O-N 3.13Å; R59-L61 HydrophobicContact CB-CD1 4.24Å; R59-L61 HydrophobicContact CB-CD2 4.4Å; R59-L61 HydrophobicContact CB-CG 3.91Å; R59-L61 PolarHBondContact O-N 3.22Å; R59-N80 WeakPolarHBondContact CA-OD1 3.28Å; R59-N80 PolarHBondContact N-OD1 2.98Å
60	S	95.3	Very high	92.4	Very high	70 Å²	70	65 Å²	65	49%	0.49	35%	0.354	S	S	.	.			trans	53.4	38.8	-176.7	-60.6	0	0	0	0	112.6	N80	S60-N80 PolarHBondContact N-OD1 2.97Å
61	L	94.9	Very high	93	Very high	25 Å²	25	61.3 Å²	61.3	13%	0.131	33%	0.334	C	S	.	.			trans	-74.4	127.6	177.7	-61.8	171.7	0	0	0	110.2	C56 R59 P65 L77 N80 R81 I82	C56-L61 HydrophobicContact CB-CD1 3.86Å; R59-L61 HydrophobicContact CB-CD1 4.24Å; R59-L61 HydrophobicContact CB-CD2 4.4Å; R59-L61 HydrophobicContact CB-CG 3.91Å; R59-L61 PolarHBondContact O-N 3.22Å; L61-P65 HydrophobicContact CD1-CG 4.03Å; L61-L77 HydrophobicContact CD1-CD2 3.79Å; L61-N80 HydrophobicContact CB-CB 4.13Å; L61-N80 PolarHBondContact N-OD1 3.34Å; L61-N80 VanDerWaalsContact N-OD1 3.08Å; L61-R81 CarbonylContact O-C 3.27Å; L61-R81 VanDerWaalsContact O-C 3.27Å; L61-R81 WeakPolarHBondContact O-CA 3.44Å; L61-R81 PolarHBondContact O-N 2.99Å; L61-I82 PolarHBondContact O-N 3.22Å
62	D	95.1	Very high	93.4	Very high	106 Å²	106	60 Å²	60	57%	0.567	32%	0.321	S	S	*	.	S	Bend	trans	-85.9	-19.6	174.7	-58.6	-45.4	0	0	0	112.2	R81 I82	D62-R81 WeakPolarHBondContact OD1-CB 3.37Å; D62-I82 WeakPolarHBondContact O-CA 3.34Å
63	Q	94.6	Very high	93.5	Very high	155 Å²	155	60.4 Å²	60.4	72%	0.724	32%	0.324	S	S	*	.	S	Bend	trans	-143.5	161.7	-179.2	-62.2	-176.4	12.1	0	0	110.8
64	I	94.1	Very high	93.6	Very high	24 Å²	24	59.6 Å²	59.6	12%	0.123	32%	0.319	C	S	.	.			trans	-69	126.7	174.5	-60.3	160	0	0	0	108.4	L68 L77 I82 I85 A89 F90	I64-L68 HydrophobicContact CG2-CD1 3.97Å; I64-L77 HydrophobicContact CG1-CD1 4.38Å; I64-L77 HydrophobicContact CG2-CD1 4.2Å; I64-I82 HydrophobicContact CG1-CD1 4.11Å; I64-I82 HydrophobicContact CG1-CG2 4.45Å; I64-I85 HydrophobicContact CD1-CG2 4.04Å; I64-A89 HydrophobicContact CD1-CB 3.91Å; I64-F90 HydrophobicContact CD1-CE1 3.97Å; I64-F90 HydrophobicContact CD1-CE2 4.3Å; I64-F90 HydrophobicContact CD1-CZ 3.53Å; I64-F90 HydrophobicContact CG1-CZ 4.47Å; I64-F90 HydrophobicContact CG2-CE1 4.05Å
65	P	91.2	Very high	93.7	Very high	13 Å²	13	59.6 Å²	59.6	8%	0.084	32%	0.319	C	S	.	.			trans	-60.2	133.5	178.7	-22.3	32.4	0	0	0	111.6	P41 L61 D67 L68	P41-P65 HydrophobicContact CB-CB 4.36Å; P41-P65 HydrophobicContact CG-CB 4.27Å; L61-P65 HydrophobicContact CD1-CG 4.03Å; P65-D67 VanDerWaalsContact C-N 3.31Å; P65-D67 WeakPolarHBondContact CB-OD1 3.45Å; P65-L68 HydrophobicContact CB-CG 4.48Å; P65-L68 WeakPolarHBondContact O-CD1 3.49Å; P65-L68 VanDerWaalsContact O-CG 3.32Å; P65-L68 WeakPolarHBondContact O-CG 3.38Å
66	P	87.2	Confident	93.7	Very high	130 Å²	130	57.9 Å²	57.9	84%	0.844	31%	0.312	S	S	*	.	S	Bend	trans	-77.5	-18.1	178.9	31.2	-35	0	0	0	112.9	L68	P66-L68 VanDerWaalsContact C-N 3.31Å; P66-L68 PolarHBondContact O-N 2.95Å
67	D	88.1	Confident	93.8	Very high	81 Å²	81	57.9 Å²	57.9	43%	0.433	31%	0.312	S	S	.	.			trans	-93	44.1	-175.1	60.9	-32.5	0	0	0	112.8	P41 P65	P41-D67 WeakPolarHBondContact CA-OD2 3.19Å; P41-D67 WeakPolarHBondContact CG-O 3.34Å; P65-D67 VanDerWaalsContact C-N 3.31Å; P65-D67 WeakPolarHBondContact CB-OD1 3.45Å
68	L	91.8	Very high	93.9	Very high	23 Å²	23	55.9 Å²	55.9	12%	0.12	30%	0.301	C	S	.	.			trans	-85.9	136.3	177.8	-66.9	168.1	0	0	0	111.2	P41 V54 I64 P65 P66 L75 L93	P41-L68 HydrophobicContact CG-CD2 4Å; V54-L68 HydrophobicContact CG1-CD2 3.9Å; I64-L68 HydrophobicContact CG2-CD1 3.97Å; P65-L68 HydrophobicContact CB-CG 4.48Å; P65-L68 WeakPolarHBondContact O-CD1 3.49Å; P65-L68 VanDerWaalsContact O-CG 3.32Å; P65-L68 WeakPolarHBondContact O-CG 3.38Å; P66-L68 VanDerWaalsContact C-N 3.31Å; P66-L68 PolarHBondContact O-N 2.95Å; L68-L75 HydrophobicContact CD1-CD1 4.39Å; L68-L75 HydrophobicContact CD1-CD2 3.81Å; L68-L75 HydrophobicContact CD2-CD1 3.85Å; L68-L93 HydrophobicContact CB-CD1 4.42Å; L68-L93 HydrophobicContact CB-CD2 3.87Å; L68-L93 HydrophobicContact CD1-CD1 4Å
69	P	91.2	Very high	94	Very high	8 Å²	8	54.6 Å²	54.6	5%	0.052	29%	0.292	C	S	.	.			trans	-68.1	134	179.7	19.7	-23.7	0	0	0	111.7	P39 M52 V54 D71 T72 L93	P39-P69 HydrophobicContact CG-CB 4.36Å; P39-P69 WeakPolarHBondContact O-CD 3.39Å; P39-P69 WeakPolarHBondContact O-CG 3.44Å; M52-P69 HydrophobicContact CE-CB 4.13Å; M52-P69 HydrophobicContact CE-CG 4.08Å; M52-P69 HydrophobicContact CG-CB 4.44Å; M52-P69 HydrophobicContact CG-CG 3.92Å; M52-P69 HydrophobicContact SD-CG 4.29Å; V54-P69 HydrophobicContact CG2-CG 3.78Å; P69-D71 PolarHBondContact O-N 3.01Å; P69-D71 VanDerWaalsContact O-N 3.16Å; P69-T72 WeakPolarHBondContact CG-OG1 3.32Å; P69-T72 VanDerWaalsContact O-CB 3.28Å; P69-T72 WeakPolarHBondContact O-CB 3.34Å; P69-T72 PolarHBondContact O-N 3.43Å; P69-T72 PolarHBondContact O-OG1 3.4Å; P69-L93 VanDerWaalsContact O-CD2 3.31Å; P69-L93 WeakPolarHBondContact O-CD2 3.42Å
70	E	90.9	Very high	94.1	Very high	135 Å²	135	48.2 Å²	48.2	63%	0.631	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.3	-177.2	-62.1	-173.7	176.4	0	0	113.5	T72 D92	E70-T72 PolarHBondContact O-N 3.26Å; E70-D92 HydrophobicContact CG-CB 4.33Å
71	D	90.7	Very high	94.2	Very high	89 Å²	89	51.6 Å²	51.6	48%	0.476	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	2.8	178.6	-79	-51.3	0	0	0	114.2	M52 P69 V73 R95	M52-D71 HydrophobicContact CB-CB 4.47Å; M52-D71 WeakPolarHBondContact CB-O 3.17Å; P69-D71 PolarHBondContact O-N 3.01Å; P69-D71 VanDerWaalsContact O-N 3.16Å; D71-V73 PolarHBondContact O-N 3.27Å; D71-R95 WeakPolarHBondContact OD1-CD 3.08Å; D71-R95 IonicContact OD1-CZ 3.92Å; D71-R95 IonicContact OD1-NH1 2.92Å; D71-R95 PolarHBondContact OD1-NH1 2.95Å
72	T	93.8	Very high	94.3	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.8	123.5	179.6	-58.9	0	0	0	0	111.4	V54 P69 E70 T74 L75 R95 L96	V54-T72 HydrophobicContact CB-CG2 4.23Å; V54-T72 HydrophobicContact CG2-CG2 3.76Å; V54-T72 WeakPolarHBondContact CG2-OG1 3.3Å; P69-T72 WeakPolarHBondContact CG-OG1 3.32Å; P69-T72 VanDerWaalsContact O-CB 3.28Å; P69-T72 WeakPolarHBondContact O-CB 3.34Å; P69-T72 PolarHBondContact O-N 3.43Å; P69-T72 PolarHBondContact O-OG1 3.4Å; E70-T72 PolarHBondContact O-N 3.26Å; T72-T74 WeakPolarHBondContact CG2-O 3.37Å; T72-L75 HydrophobicContact CG2-CB 4.09Å; T72-R95 CarbonylContact O-C 3.58Å; T72-L96 HydrophobicContact CG2-CD1 3.91Å; T72-L96 WeakPolarHBondContact O-CA 3.42Å; T72-L96 PolarHBondContact O-N 3.49Å
73	V	95.5	Very high	94.4	Very high	21 Å²	21	48.2 Å²	48.2	13%	0.127	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	-37.8	176.3	-179.8	0	0	0	0	111	M52 D71 K97 E98	M52-V73 PolarHBondContact O-N 2.84Å; D71-V73 PolarHBondContact O-N 3.27Å; V73-K97 HydrophobicContact CG1-CB 4.22Å; V73-K97 HydrophobicContact CG1-CD 3.88Å; V73-K97 HydrophobicContact CG1-CG 4.14Å; V73-K97 PolarHBondContact O-N 3.44Å; V73-E98 PolarHBondContact O-N 3.43Å
74	T	96.5	Very high	94.5	Very high	19 Å²	19	44 Å²	44	12%	0.117	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130	123.3	180	-59.4	0	0	0	0	109.1	M52 V53 V54 T72 L76 E98	M52-T74 PolarHBondContact O-N 2.92Å; V53-T74 WeakPolarHBondContact CA-O 3.37Å; V53-T74 HydrophobicContact CG1-CG2 4.23Å; V54-T74 PolarHBondContact N-O 3.13Å; T72-T74 WeakPolarHBondContact CG2-O 3.37Å; T74-L76 HydrophobicContact CG2-CD2 3.75Å; T74-L76 HydrophobicContact CG2-CG 4.1Å; T74-E98 WeakPolarHBondContact CA-O 3.4Å; T74-E98 HydrophobicContact CG2-CB 3.99Å; T74-E98 PolarHBondContact OG1-OE2 3.42Å
75	L	96.7	Very high	94.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	114.6	178.7	-180	57.6	0	0	0	109.7	V54 L68 T72 L77 F90 L93 L96 E98 L99 D100	V54-L75 HydrophobicContact CB-CD1 3.85Å; V54-L75 HydrophobicContact CG1-CD1 3.89Å; L68-L75 HydrophobicContact CD1-CD1 4.39Å; L68-L75 HydrophobicContact CD1-CD2 3.81Å; L68-L75 HydrophobicContact CD2-CD1 3.85Å; T72-L75 HydrophobicContact CG2-CB 4.09Å; L75-L77 HydrophobicContact CD1-CD1 4.09Å; L75-L77 HydrophobicContact CD1-CG 4.04Å; L75-L77 HydrophobicContact CD2-CD1 3.7Å; L75-L77 HydrophobicContact CD2-CG 4.5Å; L75-L77 HydrophobicContact CG-CD1 3.75Å; L75-L77 HydrophobicContact CG-CG 4.03Å; L75-F90 HydrophobicContact CD2-CD1 4.17Å; L75-F90 HydrophobicContact CD2-CE1 3.96Å; L75-L93 HydrophobicContact CD2-CD1 3.9Å; L75-L96 HydrophobicContact CB-CD1 3.66Å; L75-E98 PolarHBondContact N-O 3.43Å; L75-L99 HydrophobicContact CB-CD1 4.07Å; L75-L99 HydrophobicContact CD2-CD1 3.88Å; L75-L99 HydrophobicContact CG-CD1 4Å; L75-D100 PolarHBondContact O-N 3.32Å
76	L	97.6	Very high	94.9	Very high	44 Å²	44	44.9 Å²	44.9	23%	0.23	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	105.9	179.7	-51.9	-177.8	0	0	0	109.7	V54 Q55 C56 V57 T74 D100	V54-L76 PolarHBondContact O-N 2.84Å; Q55-L76 HydrophobicContact CG-CD1 4.15Å; C56-L76 CarbonylContact C-O 3.47Å; C56-L76 WeakPolarHBondContact CA-O 3Å; C56-L76 WeakPolarHBondContact CB-O 3.39Å; C56-L76 PolarHBondContact N-O 2.96Å; V57-L76 HydrophobicContact CG2-CB 3.87Å; T74-L76 HydrophobicContact CG2-CD2 3.75Å; T74-L76 HydrophobicContact CG2-CG 4.1Å; L76-D100 HydrophobicContact CD2-CB 3.8Å
77	L	97.1	Very high	95.3	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.			trans	-117.6	20.2	-179.3	-76.6	164	0	0	0	111.9	C56 L61 I64 L75 N80 I82 D100 L101 N104	C56-L77 HydrophobicContact CB-CD2 3.56Å; C56-L77 HydrophobicContact CB-CG 4.39Å; L61-L77 HydrophobicContact CD1-CD2 3.79Å; I64-L77 HydrophobicContact CG1-CD1 4.38Å; I64-L77 HydrophobicContact CG2-CD1 4.2Å; L75-L77 HydrophobicContact CD1-CD1 4.09Å; L75-L77 HydrophobicContact CD1-CG 4.04Å; L75-L77 HydrophobicContact CD2-CD1 3.7Å; L75-L77 HydrophobicContact CD2-CG 4.5Å; L75-L77 HydrophobicContact CG-CD1 3.75Å; L75-L77 HydrophobicContact CG-CG 4.03Å; L77-N80 PolarHBondContact O-ND2 2.88Å; L77-I82 HydrophobicContact CB-CD1 4.32Å; L77-I82 HydrophobicContact CD2-CD1 4.45Å; L77-D100 CarbonylContact C-O 3.56Å; L77-D100 WeakPolarHBondContact CA-O 3.39Å; L77-D100 WeakPolarHBondContact CB-O 3.47Å; L77-D100 PolarHBondContact N-O 3.5Å; L77-L101 HydrophobicContact CB-CD2 3.76Å; L77-L101 HydrophobicContact CD1-CD2 3.93Å; L77-N104 PolarHBondContact O-ND2 3.33Å
78	S	97.9	Very high	95.4	Very high	12 Å²	12	44 Å²	44	8%	0.084	23%	0.229	C	C	.	.			trans	-68.5	157.9	-178	43.2	0	0	0	0	114.1	V57 S58 N80 D100 S102	V57-S78 WeakPolarHBondContact CA-O 3.49Å; S58-S78 PolarHBondContact N-O 2.97Å; S58-S78 VanDerWaalsContact N-O 3.14Å; S78-N80 PolarHBondContact O-N 2.91Å; S78-N80 PolarHBondContact O-ND2 3.41Å; S78-D100 WeakPolarHBondContact CB-OD2 3.27Å; S78-D100 PolarHBondContact N-O 3.37Å; S78-D100 PolarHBondContact OG-OD2 2.87Å; S78-S102 CarbonylContact C-O 3.57Å; S78-S102 WeakPolarHBondContact CA-O 3.37Å; S78-S102 VanDerWaalsContact CB-O 3.32Å; S78-S102 WeakPolarHBondContact CB-O 3.48Å; S78-S102 WeakPolarHBondContact CB-OG 2.95Å
79	S	97.9	Very high	95.5	Very high	53 Å²	53	44.3 Å²	44.3	37%	0.371	24%	0.235	S	C	.	.	S	Bend	trans	58.6	42.7	179.5	-58.6	0	0	0	0	113.6	S58 S102 H103	S58-S79 VanDerWaalsContact CA-O 3.28Å; S58-S79 WeakPolarHBondContact CA-O 3.5Å; S58-S79 VanDerWaalsContact OG-CB 3.28Å; S58-S79 WeakPolarHBondContact OG-CB 3.28Å; S79-S102 PolarHBondContact N-O 3.49Å; S79-S102 VanDerWaalsContact N-O 3.07Å; S79-H103 WeakPolarHBondContact CA-O 3.36Å; S79-H103 PolarHBondContact N-O 3.19Å
80	N	97.8	Very high	95.6	Very high	5 Å²	5	44 Å²	44	3%	0.027	23%	0.233	C	C	.	.	S	Bend	trans	-115.7	-167.5	176.2	-76.7	-56.7	0	0	0	111	C56 R59 S60 L61 L77 S78 I82 H103 N104 H105	C56-N80 PolarHBondContact O-ND2 3.28Å; R59-N80 WeakPolarHBondContact CA-OD1 3.28Å; R59-N80 PolarHBondContact N-OD1 2.98Å; S60-N80 PolarHBondContact N-OD1 2.97Å; L61-N80 HydrophobicContact CB-CB 4.13Å; L61-N80 PolarHBondContact N-OD1 3.34Å; L61-N80 VanDerWaalsContact N-OD1 3.08Å; L77-N80 PolarHBondContact O-ND2 2.88Å; S78-N80 PolarHBondContact O-N 2.91Å; S78-N80 PolarHBondContact O-ND2 3.41Å; N80-I82 HydrophobicContact CB-CD1 4.42Å; N80-I82 HydrophobicContact CB-CG1 4.26Å; N80-H103 PolarHBondContact N-O 3.33Å; N80-N104 VanDerWaalsContact CA-OD1 3.25Å; N80-N104 WeakPolarHBondContact CA-OD1 3.31Å; N80-N104 WeakPolarHBondContact CB-OD1 3.44Å; N80-N104 PolarHBondContact N-OD1 3.41Å; N80-N104 PolarHBondContact O-OD1 2.93Å; N80-H105 PolarHBondContact O-ND1 3.46Å
81	R	97.7	Very high	95.6	Very high	141 Å²	141	42.4 Å²	42.4	53%	0.532	22%	0.224	S	C	.	.			trans	-116.5	23.9	-176.6	-62.5	176.1	-173.7	-99.2	-0.6	111.8	L61 D62 S83 N104	L61-R81 CarbonylContact O-C 3.27Å; L61-R81 VanDerWaalsContact O-C 3.27Å; L61-R81 WeakPolarHBondContact O-CA 3.44Å; L61-R81 PolarHBondContact O-N 2.99Å; D62-R81 WeakPolarHBondContact OD1-CB 3.37Å; R81-S83 PolarHBondContact O-N 2.9Å; R81-N104 PolarHBondContact N-OD1 3.49Å
82	I	97.8	Very high	95.6	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.22	C	C	.	.			trans	-67.4	125.7	-177.9	-56.7	169.3	0	0	0	108.4	L61 D62 I64 L77 N80 L101 N104 H105 I106	L61-I82 PolarHBondContact O-N 3.22Å; D62-I82 WeakPolarHBondContact O-CA 3.34Å; I64-I82 HydrophobicContact CG1-CD1 4.11Å; I64-I82 HydrophobicContact CG1-CG2 4.45Å; L77-I82 HydrophobicContact CB-CD1 4.32Å; L77-I82 HydrophobicContact CD2-CD1 4.45Å; N80-I82 HydrophobicContact CB-CD1 4.42Å; N80-I82 HydrophobicContact CB-CG1 4.26Å; I82-L101 HydrophobicContact CD1-CD2 4.01Å; I82-N104 HydrophobicContact CB-CB 4.36Å; I82-N104 WeakPolarHBondContact CB-OD1 3.5Å; I82-N104 WeakPolarHBondContact CG1-OD1 3.42Å; I82-N104 PolarHBondContact N-OD1 2.92Å; I82-N104 VanDerWaalsContact N-OD1 3.09Å; I82-H105 CarbonylContact O-C 3.12Å; I82-H105 WeakPolarHBondContact O-CA 3.29Å; I82-H105 PolarHBondContact O-N 3.38Å; I82-I106 HydrophobicContact CB-CG1 4.44Å; I82-I106 HydrophobicContact CG2-CG1 4.26Å; I82-I106 VanDerWaalsContact O-CG1 3.28Å; I82-I106 WeakPolarHBondContact O-CG1 3.47Å; I82-I106 PolarHBondContact O-N 2.93Å; I82-I106 VanDerWaalsContact O-N 3.1Å
83	S	97.1	Very high	95.6	Very high	59 Å²	59	42 Å²	42	41%	0.413	22%	0.221	S	C	.	.			trans	-107.1	-20.7	-176.6	58.4	0	0	0	0	114.7	R81 H105 I106 E107	R81-S83 PolarHBondContact O-N 2.9Å; S83-H105 WeakPolarHBondContact CA-O 3.44Å; S83-I106 WeakPolarHBondContact O-CA 3.39Å; S83-E107 PolarHBondContact O-N 3.09Å
84	H	97.1	Very high	95.4	Very high	66 Å²	66	50.6 Å²	50.6	31%	0.306	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	141.5	-176.1	178.7	72.7	0	0	0	111.2	S108 D110	H84-S108 WeakPolarHBondContact CA-O 3.32Å; H84-S108 PolarHBondContact ND1-O 3.3Å; H84-S108 PolarHBondContact ND1-OG 3.17Å; H84-D110 IonicContact CE1-OD1 3.25Å; H84-D110 PolarHBondContact CE1-OD1 2.85Å; H84-D110 VanDerWaalsContact CE1-OD1 3.25Å; H84-D110 IonicContact NE2-OD1 3.54Å; H84-D110 IonicContact NE2-OD2 3.73Å
85	I	97.2	Very high	95.3	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	107.5	172.7	-49.1	179	0	0	0	109.1	I64 A89 F90 L101 I106 S108 I109 D110 A113 F114 L126	I64-I85 HydrophobicContact CD1-CG2 4.04Å; I85-A89 HydrophobicContact CG2-CB 3.94Å; I85-F90 HydrophobicContact CG2-CE2 3.9Å; I85-F90 HydrophobicContact CG2-CZ 4.41Å; I85-L101 HydrophobicContact CD1-CD1 3.67Å; I85-I106 HydrophobicContact CD1-CD1 4.12Å; I85-I106 HydrophobicContact CD1-CG2 4.42Å; I85-I106 HydrophobicContact CG1-CD1 4.22Å; I85-I106 HydrophobicContact CG1-CG2 4.11Å; I85-S108 PolarHBondContact N-O 3.21Å; I85-I109 HydrophobicContact CB-CG1 4.44Å; I85-I109 HydrophobicContact CB-CG2 4.32Å; I85-I109 HydrophobicContact CD1-CD1 4.05Å; I85-I109 HydrophobicContact CD1-CG1 3.93Å; I85-I109 HydrophobicContact CD1-CG2 4.5Å; I85-I109 HydrophobicContact CG1-CG1 4.26Å; I85-D110 PolarHBondContact O-N 3.45Å; I85-A113 HydrophobicContact CB-CB 4.36Å; I85-A113 HydrophobicContact CG2-CB 3.73Å; I85-F114 HydrophobicContact CD1-CE1 4.35Å; I85-F114 HydrophobicContact CD1-CZ 3.89Å; I85-L126 HydrophobicContact CD1-CD2 4.05Å
86	P	95.8	Very high	95.2	Very high	57 Å²	57	56.8 Å²	56.8	37%	0.37	27%	0.273	S	S	.	.			trans	-74.5	162.2	-177.9	30.6	-34.7	0	0	0	112.2	Q88 A89 A113	P86-Q88 PolarHBondContact O-N 3.47Å; P86-A89 HydrophobicContact CG-CB 4.1Å; P86-A89 WeakPolarHBondContact O-CB 3.44Å; P86-A89 PolarHBondContact O-N 2.86Å; P86-A113 WeakPolarHBondContact O-CA 3.28Å
87	N	94.8	Very high	95.2	Very high	85 Å²	85	58.7 Å²	58.7	46%	0.455	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-49.7	137.5	169.4	-77.6	-60.3	0	0	0	111.6	A89 D110 G112	N87-A89 PolarHBondContact O-N 2.97Å; N87-A89 VanDerWaalsContact O-N 3.14Å; N87-D110 HydrophobicContact CB-CB 4.31Å; N87-D110 PolarHBondContact N-OD2 3.33Å; N87-D110 PolarHBondContact ND2-OD2 2.82Å; N87-D110 WeakPolarHBondContact OD1-CB 3.39Å; N87-G112 WeakPolarHBondContact OD1-CA 3.4Å; N87-G112 PolarHBondContact OD1-N 3.44Å
88	Q	91.1	Very high	95.2	Very high	108 Å²	108	63.3 Å²	63.3	51%	0.505	30%	0.301	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.4	21.1	176	-58.8	-177.2	-0.1	0	0	115	P86 F90 K91 G112	P86-Q88 PolarHBondContact O-N 3.47Å; Q88-F90 PolarHBondContact O-N 3.47Å; Q88-K91 HydrophobicContact CB-CB 4.01Å; Q88-K91 HydrophobicContact CB-CD 4.11Å; Q88-K91 HydrophobicContact CB-CG 4.38Å; Q88-K91 WeakPolarHBondContact O-CB 3.33Å; Q88-K91 WeakPolarHBondContact O-CG 3.22Å; Q88-K91 PolarHBondContact O-N 2.91Å; Q88-K91 VanDerWaalsContact O-N 3.07Å; Q88-G112 PolarHBondContact N-O 3.44Å
89	A	92.6	Very high	95.2	Very high	29 Å²	29	62.9 Å²	62.9	24%	0.24	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.2	-29.8	179.8	0	0	0	0	0	113.9	I64 I85 P86 N87	I64-A89 HydrophobicContact CD1-CB 3.91Å; I85-A89 HydrophobicContact CG2-CB 3.94Å; P86-A89 HydrophobicContact CG-CB 4.1Å; P86-A89 WeakPolarHBondContact O-CB 3.44Å; P86-A89 PolarHBondContact O-N 2.86Å; N87-A89 PolarHBondContact O-N 2.97Å; N87-A89 VanDerWaalsContact O-N 3.14Å
90	F	94.6	Very high	95.2	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.009	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-116.5	21.8	-177.1	-49.3	-71.8	0	0	0	113.3	I64 L75 I85 Q88 D92 L93 L99 L101 F114 V117	I64-F90 HydrophobicContact CD1-CE1 3.97Å; I64-F90 HydrophobicContact CD1-CE2 4.3Å; I64-F90 HydrophobicContact CD1-CZ 3.53Å; I64-F90 HydrophobicContact CG1-CZ 4.47Å; I64-F90 HydrophobicContact CG2-CE1 4.05Å; L75-F90 HydrophobicContact CD2-CD1 4.17Å; L75-F90 HydrophobicContact CD2-CE1 3.96Å; I85-F90 HydrophobicContact CG2-CE2 3.9Å; I85-F90 HydrophobicContact CG2-CZ 4.41Å; Q88-F90 PolarHBondContact O-N 3.47Å; F90-D92 PolarHBondContact O-N 3.29Å; F90-D92 VanDerWaalsContact O-N 3.17Å; F90-L93 HydrophobicContact CB-CD1 4.33Å; F90-L93 HydrophobicContact CD1-CD1 3.96Å; F90-L93 PolarHBondContact O-N 3.44Å; F90-L93 VanDerWaalsContact O-N 3.11Å; F90-L99 HydrophobicContact CD1-CD2 4.41Å; F90-L99 HydrophobicContact CD2-CD2 4.11Å; F90-L99 HydrophobicContact CE1-CD1 4.08Å; F90-L99 HydrophobicContact CE1-CD2 3.97Å; F90-L99 HydrophobicContact CE2-CD2 3.65Å; F90-L99 HydrophobicContact CG-CD2 4.47Å; F90-L99 HydrophobicContact CZ-CD1 4.23Å; F90-L99 HydrophobicContact CZ-CD2 3.57Å; F90-L101 HydrophobicContact CZ-CD1 4.12Å; F90-F114 AromaticContact CD2-CD1 3.95Å; F90-F114 HydrophobicContact CD2-CD1 3.95Å; F90-F114 HydrophobicContact CD2-CE1 4.23Å; F90-F114 AromaticContact CE2-CD1 3.95Å; F90-F114 HydrophobicContact CE2-CD1 3.95Å; F90-F114 AromaticContact CE2-CE1 3.75Å; F90-F114 HydrophobicContact CE2-CE1 3.75Å; F90-V117 HydrophobicContact CB-CG1 3.6Å; F90-V117 HydrophobicContact CB-CG2 4.26Å; F90-V117 WeakPolarHBondContact O-CG1 3.42Å
91	K	91.5	Very high	95.2	Very high	100 Å²	100	61.5 Å²	61.5	44%	0.435	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-32.5	-171.7	68.1	178.5	-170.9	-177.6	0	115.4	Q88	Q88-K91 HydrophobicContact CB-CB 4.01Å; Q88-K91 HydrophobicContact CB-CD 4.11Å; Q88-K91 HydrophobicContact CB-CG 4.38Å; Q88-K91 WeakPolarHBondContact O-CB 3.33Å; Q88-K91 WeakPolarHBondContact O-CG 3.22Å; Q88-K91 PolarHBondContact O-N 2.91Å; Q88-K91 VanDerWaalsContact O-N 3.07Å
92	D	90.3	Very high	95.2	Very high	77 Å²	77	55.3 Å²	55.3	41%	0.412	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	-9.8	-174.7	-57.5	-45.5	0	0	0	111.5	E70 F90 R94	E70-D92 HydrophobicContact CG-CB 4.33Å; F90-D92 PolarHBondContact O-N 3.29Å; F90-D92 VanDerWaalsContact O-N 3.17Å; D92-R94 PolarHBondContact O-N 2.91Å
93	L	93.6	Very high	95.2	Very high	4 Å²	4	59.9 Å²	59.9	2%	0.021	29%	0.285	C	S	.	.			trans	-93.2	54.7	-174.9	-50.7	-176.6	0	0	0	112.7	L68 P69 L75 F90 R95 L96 V117	L68-L93 HydrophobicContact CB-CD1 4.42Å; L68-L93 HydrophobicContact CB-CD2 3.87Å; L68-L93 HydrophobicContact CD1-CD1 4Å; P69-L93 VanDerWaalsContact O-CD2 3.31Å; P69-L93 WeakPolarHBondContact O-CD2 3.42Å; L75-L93 HydrophobicContact CD2-CD1 3.9Å; F90-L93 HydrophobicContact CB-CD1 4.33Å; F90-L93 HydrophobicContact CD1-CD1 3.96Å; F90-L93 PolarHBondContact O-N 3.44Å; F90-L93 VanDerWaalsContact O-N 3.11Å; L93-R95 PolarHBondContact O-N 2.86Å; L93-L96 HydrophobicContact CB-CB 4.03Å; L93-L96 HydrophobicContact CB-CD2 4.46Å; L93-L96 HydrophobicContact CD1-CD2 4.28Å; L93-L96 WeakPolarHBondContact O-CB 3.34Å; L93-L96 PolarHBondContact O-N 3.24Å; L93-V117 HydrophobicContact CB-CG1 4.34Å; L93-V117 WeakPolarHBondContact O-CG1 3.34Å
94	R	91.2	Very high	95.3	Very high	202 Å²	202	57.4 Å²	57.4	76%	0.762	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.8	-20.3	-172	-58.4	-176.1	-172.9	-170.4	4	114.6	D92	D92-R94 PolarHBondContact O-N 2.91Å
95	R	93.2	Very high	95.3	Very high	148 Å²	148	58.1 Å²	58.1	56%	0.558	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.1	0.5	-179.3	-56.2	-174	75.8	177.1	2.1	113.2	D71 T72 L93 K97	D71-R95 WeakPolarHBondContact OD1-CD 3.08Å; D71-R95 IonicContact OD1-CZ 3.92Å; D71-R95 IonicContact OD1-NH1 2.92Å; D71-R95 PolarHBondContact OD1-NH1 2.95Å; T72-R95 CarbonylContact O-C 3.58Å; L93-R95 PolarHBondContact O-N 2.86Å; R95-K97 PolarHBondContact O-N 3.49Å
96	L	96.1	Very high	95.4	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	27%	0.271	C	S	.	.			trans	-63.9	126.1	-177	-167.6	70.4	0	0	0	110.5	T72 L75 L93 L99 V117 G120 L121	T72-L96 HydrophobicContact CG2-CD1 3.91Å; T72-L96 WeakPolarHBondContact O-CA 3.42Å; T72-L96 PolarHBondContact O-N 3.49Å; L75-L96 HydrophobicContact CB-CD1 3.66Å; L93-L96 HydrophobicContact CB-CB 4.03Å; L93-L96 HydrophobicContact CB-CD2 4.46Å; L93-L96 HydrophobicContact CD1-CD2 4.28Å; L93-L96 WeakPolarHBondContact O-CB 3.34Å; L93-L96 PolarHBondContact O-N 3.24Å; L96-L99 HydrophobicContact CD2-CB 4.18Å; L96-L99 HydrophobicContact CD2-CD2 4.39Å; L96-V117 HydrophobicContact CB-CG1 4.06Å; L96-V117 HydrophobicContact CD2-CG1 4.02Å; L96-G120 CarbonylContact O-C 3.59Å; L96-G120 VanDerWaalsContact O-C 3.25Å; L96-L121 HydrophobicContact CD2-CD1 4.04Å; L96-L121 HydrophobicContact CG-CD1 4.01Å; L96-L121 PolarHBondContact O-N 2.88Å
97	K	96.4	Very high	95.4	Very high	84 Å²	84	61.1 Å²	61.1	37%	0.365	28%	0.28	S	S	.	.			trans	-113.9	-32.6	178.1	-67.3	179.8	-173.4	170	0	111.7	V73 R95 R122 S123	V73-K97 HydrophobicContact CG1-CB 4.22Å; V73-K97 HydrophobicContact CG1-CD 3.88Å; V73-K97 HydrophobicContact CG1-CG 4.14Å; V73-K97 PolarHBondContact O-N 3.44Å; R95-K97 PolarHBondContact O-N 3.49Å; K97-R122 HydrophobicContact CB-CG 4.33Å; K97-R122 WeakPolarHBondContact O-CA 3.25Å; K97-R122 WeakPolarHBondContact O-CB 3.42Å; K97-R122 PolarHBondContact O-N 3.24Å; K97-S123 PolarHBondContact O-N 2.94Å
98	E	97.2	Very high	95.5	Very high	97 Å²	97	59.7 Å²	59.7	45%	0.453	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	123.6	-174.5	-67.6	173.9	-176.3	0	0	109.5	V73 T74 L75	V73-E98 PolarHBondContact O-N 3.43Å; T74-E98 WeakPolarHBondContact CA-O 3.4Å; T74-E98 HydrophobicContact CG2-CB 3.99Å; T74-E98 PolarHBondContact OG1-OE2 3.42Å; L75-E98 PolarHBondContact N-O 3.43Å
99	L	97.8	Very high	95.8	Very high	3 Å²	3	55.2 Å²	55.2	2%	0.016	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.8	117.1	177.3	177.7	54.6	0	0	0	109.2	L75 F90 L96 L101 F114 L121 S123 L124 D125	L75-L99 HydrophobicContact CB-CD1 4.07Å; L75-L99 HydrophobicContact CD2-CD1 3.88Å; L75-L99 HydrophobicContact CG-CD1 4Å; F90-L99 HydrophobicContact CD1-CD2 4.41Å; F90-L99 HydrophobicContact CD2-CD2 4.11Å; F90-L99 HydrophobicContact CE1-CD1 4.08Å; F90-L99 HydrophobicContact CE1-CD2 3.97Å; F90-L99 HydrophobicContact CE2-CD2 3.65Å; F90-L99 HydrophobicContact CG-CD2 4.47Å; F90-L99 HydrophobicContact CZ-CD1 4.23Å; F90-L99 HydrophobicContact CZ-CD2 3.57Å; L96-L99 HydrophobicContact CD2-CB 4.18Å; L96-L99 HydrophobicContact CD2-CD2 4.39Å; L99-L101 HydrophobicContact CD1-CD1 4.21Å; L99-L101 HydrophobicContact CD1-CG 4.02Å; L99-L101 HydrophobicContact CD2-CD1 3.94Å; L99-L101 HydrophobicContact CG-CD1 4.01Å; L99-L101 HydrophobicContact CG-CG 4.16Å; L99-F114 HydrophobicContact CD2-CD1 4.47Å; L99-F114 HydrophobicContact CD2-CE1 4.06Å; L99-L121 HydrophobicContact CB-CD1 3.93Å; L99-S123 PolarHBondContact N-O 2.96Å; L99-L124 HydrophobicContact CB-CD1 4.06Å; L99-L124 HydrophobicContact CD2-CD1 3.78Å; L99-L124 HydrophobicContact CG-CD1 3.85Å; L99-L124 WeakPolarHBondContact O-CA 3.43Å; L99-D125 PolarHBondContact O-N 3.23Å
100	D	98.2	Very high	95.9	Very high	30 Å²	30	56.1 Å²	56.1	16%	0.16	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	111.4	174.7	176.3	17.3	0	0	0	110	L75 L76 L77 S78 S102	L75-D100 PolarHBondContact O-N 3.32Å; L76-D100 HydrophobicContact CD2-CB 3.8Å; L77-D100 CarbonylContact C-O 3.56Å; L77-D100 WeakPolarHBondContact CA-O 3.39Å; L77-D100 WeakPolarHBondContact CB-O 3.47Å; L77-D100 PolarHBondContact N-O 3.5Å; S78-D100 WeakPolarHBondContact CB-OD2 3.27Å; S78-D100 PolarHBondContact N-O 3.37Å; S78-D100 PolarHBondContact OG-OD2 2.87Å; D100-S102 WeakPolarHBondContact OD1-CB 3.15Å; D100-S102 PolarHBondContact OD1-N 2.92Å; D100-S102 PolarHBondContact OD1-OG 2.91Å
101	L	98.1	Very high	95.9	Very high	0 Å²	0	58.3 Å²	58.3	0%	0	28%	0.275	C	S	.	.			trans	-117.7	19.1	174.5	-74.1	164.2	0	0	0	111	L77 I82 I85 F90 L99 N104 I106 D125 L126 N129	L77-L101 HydrophobicContact CB-CD2 3.76Å; L77-L101 HydrophobicContact CD1-CD2 3.93Å; I82-L101 HydrophobicContact CD1-CD2 4.01Å; I85-L101 HydrophobicContact CD1-CD1 3.67Å; F90-L101 HydrophobicContact CZ-CD1 4.12Å; L99-L101 HydrophobicContact CD1-CD1 4.21Å; L99-L101 HydrophobicContact CD1-CG 4.02Å; L99-L101 HydrophobicContact CD2-CD1 3.94Å; L99-L101 HydrophobicContact CG-CD1 4.01Å; L99-L101 HydrophobicContact CG-CG 4.16Å; L101-N104 PolarHBondContact O-ND2 3.12Å; L101-I106 HydrophobicContact CB-CD1 3.98Å; L101-I106 HydrophobicContact CD1-CD1 4.47Å; L101-I106 HydrophobicContact CD2-CD1 4.47Å; L101-D125 CarbonylContact C-O 3.34Å; L101-D125 WeakPolarHBondContact CA-O 3.49Å; L101-D125 WeakPolarHBondContact CB-O 3.27Å; L101-D125 PolarHBondContact N-O 3.42Å; L101-L126 HydrophobicContact CB-CD2 3.96Å; L101-L126 HydrophobicContact CD1-CD2 4Å; L101-N129 PolarHBondContact O-ND2 2.93Å
102	S	98.3	Very high	96.1	Very high	10 Å²	10	54.3 Å²	54.3	7%	0.07	26%	0.263	C	S	.	.			trans	-64.1	156.7	-178.9	64.6	0	0	0	0	112.5	S78 S79 D100 N104 D125 S127	S78-S102 CarbonylContact C-O 3.57Å; S78-S102 WeakPolarHBondContact CA-O 3.37Å; S78-S102 VanDerWaalsContact CB-O 3.32Å; S78-S102 WeakPolarHBondContact CB-O 3.48Å; S78-S102 WeakPolarHBondContact CB-OG 2.95Å; S79-S102 PolarHBondContact N-O 3.49Å; S79-S102 VanDerWaalsContact N-O 3.07Å; D100-S102 WeakPolarHBondContact OD1-CB 3.15Å; D100-S102 PolarHBondContact OD1-N 2.92Å; D100-S102 PolarHBondContact OD1-OG 2.91Å; S102-N104 VanDerWaalsContact C-N 3.29Å; S102-N104 PolarHBondContact O-N 3.41Å; S102-N104 PolarHBondContact O-ND2 3.36Å; S102-D125 PolarHBondContact N-O 3.14Å; S102-S127 CarbonylContact C-O 3.58Å; S102-S127 WeakPolarHBondContact CA-O 3.02Å; S102-S127 WeakPolarHBondContact CB-O 3.06Å; S102-S127 WeakPolarHBondContact CB-OG 3.35Å
103	H	98.1	Very high	96.3	Very high	96 Å²	96	50.7 Å²	50.7	44%	0.444	24%	0.243	S	C	.	.	S	Bend	trans	55.3	43.8	178.4	-61.1	-82.2	0	0	0	112.9	S79 N80 S127 N128	S79-H103 WeakPolarHBondContact CA-O 3.36Å; S79-H103 PolarHBondContact N-O 3.19Å; N80-H103 PolarHBondContact N-O 3.33Å; H103-S127 PolarHBondContact N-O 2.99Å; H103-S127 VanDerWaalsContact N-O 3.08Å; H103-N128 WeakPolarHBondContact CA-O 3.35Å; H103-N128 PolarHBondContact CE1-ND2 3.32Å; H103-N128 PolarHBondContact N-O 2.95Å; H103-N128 WeakPolarHBondContact ND1-CB 3.48Å; H103-N128 PolarHBondContact NE2-ND2 2.88Å
104	N	98.4	Very high	96.4	Very high	7 Å²	7	50.5 Å²	50.5	4%	0.037	24%	0.242	C	C	.	.	S	Bend	trans	-111.1	-169.2	170.6	-85.1	-83	0	0	0	109.7	L77 N80 R81 I82 L101 S102 I106 N128 N129	L77-N104 PolarHBondContact O-ND2 3.33Å; N80-N104 VanDerWaalsContact CA-OD1 3.25Å; N80-N104 WeakPolarHBondContact CA-OD1 3.31Å; N80-N104 WeakPolarHBondContact CB-OD1 3.44Å; N80-N104 PolarHBondContact N-OD1 3.41Å; N80-N104 PolarHBondContact O-OD1 2.93Å; R81-N104 PolarHBondContact N-OD1 3.49Å; I82-N104 HydrophobicContact CB-CB 4.36Å; I82-N104 WeakPolarHBondContact CB-OD1 3.5Å; I82-N104 WeakPolarHBondContact CG1-OD1 3.42Å; I82-N104 PolarHBondContact N-OD1 2.92Å; I82-N104 VanDerWaalsContact N-OD1 3.09Å; L101-N104 PolarHBondContact O-ND2 3.12Å; S102-N104 VanDerWaalsContact C-N 3.29Å; S102-N104 PolarHBondContact O-N 3.41Å; S102-N104 PolarHBondContact O-ND2 3.36Å; N104-I106 HydrophobicContact CB-CD1 4.04Å; N104-I106 HydrophobicContact CB-CG1 3.88Å; N104-N128 PolarHBondContact N-O 3.4Å; N104-N129 VanDerWaalsContact CA-OD1 3.26Å; N104-N129 WeakPolarHBondContact CA-OD1 3.46Å; N104-N129 WeakPolarHBondContact CB-OD1 3.26Å; N104-N129 PolarHBondContact N-OD1 3.5Å; N104-N129 PolarHBondContact O-OD1 2.99Å
105	H	97.8	Very high	96.4	Very high	82 Å²	82	45 Å²	45	38%	0.38	23%	0.227	S	C	.	.			trans	-113.8	31.5	179.1	-62.9	71.5	0	0	0	110.6	N80 I82 S83 E107 N129 Q130	N80-H105 PolarHBondContact O-ND1 3.46Å; I82-H105 CarbonylContact O-C 3.12Å; I82-H105 WeakPolarHBondContact O-CA 3.29Å; I82-H105 PolarHBondContact O-N 3.38Å; S83-H105 WeakPolarHBondContact CA-O 3.44Å; H105-E107 PolarHBondContact O-N 3.1Å; H105-E107 VanDerWaalsContact O-N 3.16Å; H105-N129 PolarHBondContact N-OD1 2.8Å; H105-Q130 PolarHBondContact CD2-NE2 3.08Å
106	I	98.4	Very high	96.3	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.216	C	C	.	.			trans	-69.6	117.3	-169.4	-57.1	165.9	0	0	0	109.1	I82 S83 I85 L101 N104 I109 L126 N129 Q130 L131	I82-I106 HydrophobicContact CB-CG1 4.44Å; I82-I106 HydrophobicContact CG2-CG1 4.26Å; I82-I106 VanDerWaalsContact O-CG1 3.28Å; I82-I106 WeakPolarHBondContact O-CG1 3.47Å; I82-I106 PolarHBondContact O-N 2.93Å; I82-I106 VanDerWaalsContact O-N 3.1Å; S83-I106 WeakPolarHBondContact O-CA 3.39Å; I85-I106 HydrophobicContact CD1-CD1 4.12Å; I85-I106 HydrophobicContact CD1-CG2 4.42Å; I85-I106 HydrophobicContact CG1-CD1 4.22Å; I85-I106 HydrophobicContact CG1-CG2 4.11Å; L101-I106 HydrophobicContact CB-CD1 3.98Å; L101-I106 HydrophobicContact CD1-CD1 4.47Å; L101-I106 HydrophobicContact CD2-CD1 4.47Å; N104-I106 HydrophobicContact CB-CD1 4.04Å; N104-I106 HydrophobicContact CB-CG1 3.88Å; I106-I109 HydrophobicContact CG2-CG1 4.1Å; I106-L126 HydrophobicContact CD1-CD2 4.09Å; I106-N129 HydrophobicContact CB-CB 4.22Å; I106-N129 VanDerWaalsContact CB-OD1 3.32Å; I106-N129 WeakPolarHBondContact CB-OD1 3.23Å; I106-N129 WeakPolarHBondContact CD1-OD1 3.19Å; I106-N129 VanDerWaalsContact CG1-OD1 3.23Å; I106-N129 WeakPolarHBondContact CG1-OD1 3.01Å; I106-N129 PolarHBondContact N-OD1 3.34Å; I106-Q130 CarbonylContact O-C 3.14Å; I106-Q130 WeakPolarHBondContact O-CA 3.32Å; I106-Q130 PolarHBondContact O-N 2.97Å; I106-L131 HydrophobicContact CG2-CD2 3.85Å; I106-L131 PolarHBondContact O-N 3.36Å; I106-L131 VanDerWaalsContact O-N 3.14Å
107	E	96.8	Very high	96.2	Very high	120 Å²	120	39.5 Å²	39.5	56%	0.561	22%	0.216	S	C	*	.			trans	-99.5	-30.4	178.9	-67.9	177.9	-164.6	0	0	111.8	S83 H105 Q130	S83-E107 PolarHBondContact O-N 3.09Å; H105-E107 PolarHBondContact O-N 3.1Å; H105-E107 VanDerWaalsContact O-N 3.16Å; E107-Q130 HydrophobicContact CG-CB 3.99Å
108	S	95.9	Very high	95.9	Very high	55 Å²	55	36.3 Å²	36.3	39%	0.385	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147	148.8	-174.9	55	0	0	0	0	112.9	H84 I85	H84-S108 WeakPolarHBondContact CA-O 3.32Å; H84-S108 PolarHBondContact ND1-O 3.3Å; H84-S108 PolarHBondContact ND1-OG 3.17Å; I85-S108 PolarHBondContact N-O 3.21Å
109	I	96.9	Very high	95.6	Very high	13 Å²	13	40.7 Å²	40.7	7%	0.067	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	131.9	179.1	-58.6	178.5	0	0	0	106.9	I85 I106 A113 F114 L126 L131 V134 P135 A138 F139	I85-I109 HydrophobicContact CB-CG1 4.44Å; I85-I109 HydrophobicContact CB-CG2 4.32Å; I85-I109 HydrophobicContact CD1-CD1 4.05Å; I85-I109 HydrophobicContact CD1-CG1 3.93Å; I85-I109 HydrophobicContact CD1-CG2 4.5Å; I85-I109 HydrophobicContact CG1-CG1 4.26Å; I106-I109 HydrophobicContact CG2-CG1 4.1Å; I109-A113 HydrophobicContact CG2-CB 3.63Å; I109-F114 HydrophobicContact CD1-CE2 4.42Å; I109-F114 HydrophobicContact CD1-CZ 4.46Å; I109-F114 HydrophobicContact CG2-CE2 3.78Å; I109-F114 HydrophobicContact CG2-CZ 4.27Å; I109-L126 HydrophobicContact CD1-CD1 3.78Å; I109-L126 HydrophobicContact CD1-CD2 4.31Å; I109-L131 HydrophobicContact CD1-CD1 4.09Å; I109-L131 HydrophobicContact CD1-CD2 4Å; I109-L131 HydrophobicContact CG1-CD2 3.96Å; I109-V134 HydrophobicContact CD1-CG1 4.33Å; I109-P135 VanDerWaalsContact O-CG 3.26Å; I109-P135 WeakPolarHBondContact O-CG 3.48Å; I109-A138 HydrophobicContact CG2-CB 4.3Å; I109-F139 HydrophobicContact CD1-CE2 4.47Å; I109-F139 HydrophobicContact CD1-CZ 4.08Å
110	D	96.3	Very high	95.3	Very high	49 Å²	49	41.7 Å²	41.7	26%	0.262	24%	0.236	S	C	.	.			trans	-73.5	148.5	175.1	-85.3	-7.6	0	0	0	112.4	H84 I85 N87 G112 A113	H84-D110 IonicContact CE1-OD1 3.25Å; H84-D110 PolarHBondContact CE1-OD1 2.85Å; H84-D110 VanDerWaalsContact CE1-OD1 3.25Å; H84-D110 IonicContact NE2-OD1 3.54Å; H84-D110 IonicContact NE2-OD2 3.73Å; I85-D110 PolarHBondContact O-N 3.45Å; N87-D110 HydrophobicContact CB-CB 4.31Å; N87-D110 PolarHBondContact N-OD2 3.33Å; N87-D110 PolarHBondContact ND2-OD2 2.82Å; N87-D110 WeakPolarHBondContact OD1-CB 3.39Å; D110-G112 PolarHBondContact O-N 3.24Å; D110-A113 WeakPolarHBondContact O-CB 3.33Å; D110-A113 PolarHBondContact O-N 3.07Å
111	A	94.1	Very high	95.2	Very high	48 Å²	48	40.4 Å²	40.4	40%	0.397	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.4	-29.9	179.7	0	0	0	0	0	114.7	E137 A138	A111-E137 HydrophobicContact CB-CB 3.82Å; A111-E137 HydrophobicContact CB-CG 4.44Å; A111-E137 CarbonylContact O-C 3.25Å; A111-A138 WeakPolarHBondContact O-CA 3.45Å; A111-A138 PolarHBondContact O-N 3.41Å; A111-A138 VanDerWaalsContact O-N 3.1Å
112	G	94.2	Very high	95.1	Very high	16 Å²	16	48.1 Å²	48.1	17%	0.165	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.9	16.8	178.9	0	0	0	0	0	114.1	N87 Q88 D110 F114 L115	N87-G112 WeakPolarHBondContact OD1-CA 3.4Å; N87-G112 PolarHBondContact OD1-N 3.44Å; Q88-G112 PolarHBondContact N-O 3.44Å; D110-G112 PolarHBondContact O-N 3.24Å; G112-F114 VanDerWaalsContact C-N 3.34Å; G112-F114 PolarHBondContact O-N 3.08Å; G112-L115 PolarHBondContact O-N 2.95Å
113	A	95.5	Very high	95	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-44.9	-176.2	0	0	0	0	0	113.1	I85 P86 I109 D110	I85-A113 HydrophobicContact CB-CB 4.36Å; I85-A113 HydrophobicContact CG2-CB 3.73Å; P86-A113 WeakPolarHBondContact O-CA 3.28Å; I109-A113 HydrophobicContact CG2-CB 3.63Å; D110-A113 WeakPolarHBondContact O-CB 3.33Å; D110-A113 PolarHBondContact O-N 3.07Å
114	F	94.9	Very high	94.9	Very high	1 Å²	1	44 Å²	44	0%	0.004	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101.4	9	-174.3	-53	-67.5	0	0	0	114.6	I85 F90 L99 I109 G112 G116 V117 S118 L124 L126 A138 F139 L142	I85-F114 HydrophobicContact CD1-CE1 4.35Å; I85-F114 HydrophobicContact CD1-CZ 3.89Å; F90-F114 AromaticContact CD2-CD1 3.95Å; F90-F114 HydrophobicContact CD2-CD1 3.95Å; F90-F114 HydrophobicContact CD2-CE1 4.23Å; F90-F114 AromaticContact CE2-CD1 3.95Å; F90-F114 HydrophobicContact CE2-CD1 3.95Å; F90-F114 AromaticContact CE2-CE1 3.75Å; F90-F114 HydrophobicContact CE2-CE1 3.75Å; L99-F114 HydrophobicContact CD2-CD1 4.47Å; L99-F114 HydrophobicContact CD2-CE1 4.06Å; I109-F114 HydrophobicContact CD1-CE2 4.42Å; I109-F114 HydrophobicContact CD1-CZ 4.46Å; I109-F114 HydrophobicContact CG2-CE2 3.78Å; I109-F114 HydrophobicContact CG2-CZ 4.27Å; G112-F114 VanDerWaalsContact C-N 3.34Å; G112-F114 PolarHBondContact O-N 3.08Å; F114-G116 PolarHBondContact O-N 3.1Å; F114-G116 VanDerWaalsContact O-N 3.16Å; F114-V117 HydrophobicContact CB-CG2 4.14Å; F114-V117 HydrophobicContact CD1-CG2 4.46Å; F114-V117 WeakPolarHBondContact O-CG2 3.45Å; F114-V117 PolarHBondContact O-N 3.09Å; F114-V117 VanDerWaalsContact O-N 3.07Å; F114-S118 PolarHBondContact O-N 3.32Å; F114-S118 VanDerWaalsContact O-N 3.14Å; F114-L124 HydrophobicContact CE1-CD1 4.13Å; F114-L124 HydrophobicContact CE1-CD2 4.02Å; F114-L124 HydrophobicContact CE2-CD2 4.03Å; F114-L124 HydrophobicContact CZ-CD1 4.35Å; F114-L124 HydrophobicContact CZ-CD2 3.77Å; F114-L126 HydrophobicContact CZ-CD1 4.45Å; F114-A138 HydrophobicContact CD2-CB 4.23Å; F114-F139 HydrophobicContact CE2-CE1 4.06Å; F114-F139 HydrophobicContact CE2-CE2 4.37Å; F114-F139 AromaticContact CE2-CZ 3.83Å; F114-F139 HydrophobicContact CE2-CZ 3.83Å; F114-L142 HydrophobicContact CB-CD1 3.83Å; F114-L142 HydrophobicContact CB-CD2 3.96Å; F114-L142 HydrophobicContact CB-CG 4.21Å; F114-L142 HydrophobicContact CD2-CD1 3.73Å; F114-L142 HydrophobicContact CG-CD1 3.9Å
115	L	92.4	Very high	94.9	Very high	86 Å²	86	44.6 Å²	44.6	45%	0.45	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-33.3	-174.5	-174.1	66.9	0	0	0	113.1	G112 V117 S118 K141	G112-L115 PolarHBondContact O-N 2.95Å; L115-V117 VanDerWaalsContact C-N 3.32Å; L115-V117 PolarHBondContact O-N 3.16Å; L115-S118 PolarHBondContact O-OG 3.42Å; L115-K141 HydrophobicContact CD1-CD 3.96Å
116	G	89.9	Confident	94.9	Very high	30 Å²	30	40.7 Å²	40.7	31%	0.309	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.6	-18.2	179.7	0	0	0	0	0	115.7	F114	F114-G116 PolarHBondContact O-N 3.1Å; F114-G116 VanDerWaalsContact O-N 3.16Å
117	V	94.4	Very high	94.8	Very high	3 Å²	3	41.1 Å²	41.1	2%	0.018	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.4	6.2	-175.3	-62.7	0	0	0	0	112.6	F90 L93 L96 F114 L115 E119 G120 L121	F90-V117 HydrophobicContact CB-CG1 3.6Å; F90-V117 HydrophobicContact CB-CG2 4.26Å; F90-V117 WeakPolarHBondContact O-CG1 3.42Å; L93-V117 HydrophobicContact CB-CG1 4.34Å; L93-V117 WeakPolarHBondContact O-CG1 3.34Å; L96-V117 HydrophobicContact CB-CG1 4.06Å; L96-V117 HydrophobicContact CD2-CG1 4.02Å; F114-V117 HydrophobicContact CB-CG2 4.14Å; F114-V117 HydrophobicContact CD1-CG2 4.46Å; F114-V117 WeakPolarHBondContact O-CG2 3.45Å; F114-V117 PolarHBondContact O-N 3.09Å; F114-V117 VanDerWaalsContact O-N 3.07Å; L115-V117 VanDerWaalsContact C-N 3.32Å; L115-V117 PolarHBondContact O-N 3.16Å; V117-E119 VanDerWaalsContact C-N 3.28Å; V117-E119 PolarHBondContact O-N 2.88Å; V117-G120 PolarHBondContact O-N 2.91Å; V117-L121 HydrophobicContact CB-CB 4.47Å; V117-L121 HydrophobicContact CG2-CD2 4.34Å; V117-L121 VanDerWaalsContact O-CB 3.28Å; V117-L121 WeakPolarHBondContact O-CB 3.28Å; V117-L121 PolarHBondContact O-N 2.75Å
118	S	91.4	Very high	94.9	Very high	17 Å²	17	37.8 Å²	37.8	12%	0.119	22%	0.215	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-32.5	-169.8	59.2	0	0	0	0	114.5	F114 L115	F114-S118 PolarHBondContact O-N 3.32Å; F114-S118 VanDerWaalsContact O-N 3.14Å; L115-S118 PolarHBondContact O-OG 3.42Å
119	E	89.6	Confident	95	Very high	188 Å²	188	35.7 Å²	35.7	88%	0.879	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.7	-30.1	-178.9	-61.4	-170.8	169	0	0	113.6	V117	V117-E119 VanDerWaalsContact C-N 3.28Å; V117-E119 PolarHBondContact O-N 2.88Å
120	G	91.4	Very high	95	Very high	25 Å²	25	38.9 Å²	38.9	26%	0.258	21%	0.214	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-25.4	-170.9	0	0	0	0	0	114.8	L96 V117 R122	L96-G120 CarbonylContact O-C 3.59Å; L96-G120 VanDerWaalsContact O-C 3.25Å; V117-G120 PolarHBondContact O-N 2.91Å; G120-R122 PolarHBondContact O-N 3.21Å
121	L	95.9	Very high	95	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.01	20%	0.201	C	C	.	.			trans	-68.8	130.8	-173.3	-161	72.5	0	0	0	111.1	L96 L99 V117 L124 L142 A144	L96-L121 HydrophobicContact CD2-CD1 4.04Å; L96-L121 HydrophobicContact CG-CD1 4.01Å; L96-L121 PolarHBondContact O-N 2.88Å; L99-L121 HydrophobicContact CB-CD1 3.93Å; V117-L121 HydrophobicContact CB-CB 4.47Å; V117-L121 HydrophobicContact CG2-CD2 4.34Å; V117-L121 VanDerWaalsContact O-CB 3.28Å; V117-L121 WeakPolarHBondContact O-CB 3.28Å; V117-L121 PolarHBondContact O-N 2.75Å; L121-L124 HydrophobicContact CD2-CB 3.96Å; L121-L124 HydrophobicContact CD2-CD2 4.46Å; L121-L142 HydrophobicContact CB-CD2 4.36Å; L121-L142 HydrophobicContact CD2-CD2 4Å; L121-A144 HydrophobicContact CB-CB 4.38Å; L121-A144 HydrophobicContact CD2-CB 4.34Å; L121-A144 HydrophobicContact CG-CB 4.23Å; L121-A144 WeakPolarHBondContact O-CB 3.06Å
122	R	95.6	Very high	95.1	Very high	163 Å²	163	42.5 Å²	42.5	62%	0.615	21%	0.213	S	C	*	.			trans	-111.8	-32.3	-178.6	-61.7	-177	176.2	-164.9	-6.4	112.7	K97 G120 A144 R145	K97-R122 HydrophobicContact CB-CG 4.33Å; K97-R122 WeakPolarHBondContact O-CA 3.25Å; K97-R122 WeakPolarHBondContact O-CB 3.42Å; K97-R122 PolarHBondContact O-N 3.24Å; G120-R122 PolarHBondContact O-N 3.21Å; R122-A144 WeakPolarHBondContact O-CA 3.18Å; R122-R145 PolarHBondContact O-N 2.96Å
123	S	96.2	Very high	95.1	Very high	20 Å²	20	44.2 Å²	44.2	14%	0.14	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130.8	-179.9	-166.9	0	0	0	0	110.1	K97 L99 R145	K97-S123 PolarHBondContact O-N 2.94Å; L99-S123 PolarHBondContact N-O 2.96Å; S123-R145 WeakPolarHBondContact CA-O 2.98Å
124	L	97.1	Very high	95	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129	117.7	174	175.3	57.2	0	0	0	109.1	L99 F114 L121 L126 F139 L142 R145 I146 R147	L99-L124 HydrophobicContact CB-CD1 4.06Å; L99-L124 HydrophobicContact CD2-CD1 3.78Å; L99-L124 HydrophobicContact CG-CD1 3.85Å; L99-L124 WeakPolarHBondContact O-CA 3.43Å; F114-L124 HydrophobicContact CE1-CD1 4.13Å; F114-L124 HydrophobicContact CE1-CD2 4.02Å; F114-L124 HydrophobicContact CE2-CD2 4.03Å; F114-L124 HydrophobicContact CZ-CD1 4.35Å; F114-L124 HydrophobicContact CZ-CD2 3.77Å; L121-L124 HydrophobicContact CD2-CB 3.96Å; L121-L124 HydrophobicContact CD2-CD2 4.46Å; L124-L126 HydrophobicContact CD1-CD1 4.48Å; L124-L126 HydrophobicContact CD1-CG 4.13Å; L124-L126 HydrophobicContact CD2-CD1 3.94Å; L124-L126 HydrophobicContact CD2-CG 4.44Å; L124-L126 HydrophobicContact CG-CD1 4.12Å; L124-L126 HydrophobicContact CG-CG 4.09Å; L124-F139 HydrophobicContact CD2-CE1 3.93Å; L124-L142 HydrophobicContact CD2-CD1 4.24Å; L124-R145 PolarHBondContact N-O 3.43Å; L124-I146 HydrophobicContact CB-CG1 4.19Å; L124-I146 HydrophobicContact CD2-CG1 4.46Å; L124-I146 HydrophobicContact CD2-CG2 4.49Å; L124-I146 WeakPolarHBondContact O-CA 3.34Å; L124-R147 PolarHBondContact O-N 3.01Å
125	D	97.8	Very high	94.9	Very high	19 Å²	19	46 Å²	46	10%	0.102	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	113.6	175.7	-152.3	-37.9	0	0	0	110.6	L99 L101 S102 S127 R147	L99-D125 PolarHBondContact O-N 3.23Å; L101-D125 CarbonylContact C-O 3.34Å; L101-D125 WeakPolarHBondContact CA-O 3.49Å; L101-D125 WeakPolarHBondContact CB-O 3.27Å; L101-D125 PolarHBondContact N-O 3.42Å; S102-D125 PolarHBondContact N-O 3.14Å; D125-S127 WeakPolarHBondContact OD1-CB 3.18Å; D125-S127 PolarHBondContact OD1-N 3.34Å; D125-S127 PolarHBondContact OD1-OG 3.4Å; D125-R147 WeakPolarHBondContact OD2-CD 3.07Å; D125-R147 IonicContact OD2-CZ 3.99Å; D125-R147 IonicContact OD2-NH1 3.04Å; D125-R147 PolarHBondContact OD2-NH1 3.19Å
126	L	97.3	Very high	94.8	Very high	0 Å²	0	44.9 Å²	44.9	0%	0	23%	0.226	C	C	.	.			trans	-118.5	17	173.9	-69.4	166.5	0	0	0	110.8	I85 L101 I106 I109 F114 L124 N129 L131 F139 R147 L148 N151	I85-L126 HydrophobicContact CD1-CD2 4.05Å; L101-L126 HydrophobicContact CB-CD2 3.96Å; L101-L126 HydrophobicContact CD1-CD2 4Å; I106-L126 HydrophobicContact CD1-CD2 4.09Å; I109-L126 HydrophobicContact CD1-CD1 3.78Å; I109-L126 HydrophobicContact CD1-CD2 4.31Å; F114-L126 HydrophobicContact CZ-CD1 4.45Å; L124-L126 HydrophobicContact CD1-CD1 4.48Å; L124-L126 HydrophobicContact CD1-CG 4.13Å; L124-L126 HydrophobicContact CD2-CD1 3.94Å; L124-L126 HydrophobicContact CD2-CG 4.44Å; L124-L126 HydrophobicContact CG-CD1 4.12Å; L124-L126 HydrophobicContact CG-CG 4.09Å; L126-N129 PolarHBondContact O-ND2 3.47Å; L126-L131 HydrophobicContact CB-CD1 4.18Å; L126-L131 HydrophobicContact CD1-CD1 4.39Å; L126-F139 HydrophobicContact CD1-CE1 4.14Å; L126-F139 HydrophobicContact CD1-CZ 3.93Å; L126-R147 CarbonylContact C-O 3.37Å; L126-R147 PolarHBondContact N-O 2.92Å; L126-L148 HydrophobicContact CB-CD2 4.05Å; L126-L148 HydrophobicContact CD1-CD2 4.12Å; L126-N151 PolarHBondContact O-ND2 3.39Å
127	S	97.5	Very high	94.9	Very high	9 Å²	9	48.9 Å²	48.9	6%	0.063	24%	0.237	C	C	.	.			trans	-63.3	155.3	-179.7	64.5	0	0	0	0	112.1	S102 H103 D125 N129 R147 S149	S102-S127 CarbonylContact C-O 3.58Å; S102-S127 WeakPolarHBondContact CA-O 3.02Å; S102-S127 WeakPolarHBondContact CB-O 3.06Å; S102-S127 WeakPolarHBondContact CB-OG 3.35Å; H103-S127 PolarHBondContact N-O 2.99Å; H103-S127 VanDerWaalsContact N-O 3.08Å; D125-S127 WeakPolarHBondContact OD1-CB 3.18Å; D125-S127 PolarHBondContact OD1-N 3.34Å; D125-S127 PolarHBondContact OD1-OG 3.4Å; S127-N129 PolarHBondContact O-N 3.4Å; S127-N129 PolarHBondContact O-ND2 3.24Å; S127-R147 PolarHBondContact N-O 3.01Å; S127-S149 CarbonylContact C-O 3.54Å; S127-S149 WeakPolarHBondContact CA-O 3.26Å; S127-S149 WeakPolarHBondContact CB-OG 3.48Å
128	N	97.6	Very high	94.8	Very high	50 Å²	50	49 Å²	49	27%	0.267	24%	0.238	S	C	.	.	S	Bend	trans	56.3	51.4	176.8	-57.2	-86.5	0	0	0	112.5	H103 N104 S149 N150	H103-N128 WeakPolarHBondContact CA-O 3.35Å; H103-N128 PolarHBondContact CE1-ND2 3.32Å; H103-N128 PolarHBondContact N-O 2.95Å; H103-N128 WeakPolarHBondContact ND1-CB 3.48Å; H103-N128 PolarHBondContact NE2-ND2 2.88Å; N104-N128 PolarHBondContact N-O 3.4Å; N128-S149 PolarHBondContact N-O 3.33Å; N128-N150 VanDerWaalsContact CA-O 3.27Å; N128-N150 WeakPolarHBondContact CA-O 3.4Å; N128-N150 PolarHBondContact N-O 2.71Å; N128-N150 WeakPolarHBondContact OD1-CB 3.33Å
129	N	98.4	Very high	94.8	Very high	10 Å²	10	48.5 Å²	48.5	5%	0.053	23%	0.234	C	C	.	.	S	Bend	trans	-123.1	-167.4	175.1	-85.9	-75.8	0	0	0	109.8	L101 N104 H105 I106 L126 S127 L131 N151 P152	L101-N129 PolarHBondContact O-ND2 2.93Å; N104-N129 VanDerWaalsContact CA-OD1 3.26Å; N104-N129 WeakPolarHBondContact CA-OD1 3.46Å; N104-N129 WeakPolarHBondContact CB-OD1 3.26Å; N104-N129 PolarHBondContact N-OD1 3.5Å; N104-N129 PolarHBondContact O-OD1 2.99Å; H105-N129 PolarHBondContact N-OD1 2.8Å; I106-N129 HydrophobicContact CB-CB 4.22Å; I106-N129 VanDerWaalsContact CB-OD1 3.32Å; I106-N129 WeakPolarHBondContact CB-OD1 3.23Å; I106-N129 WeakPolarHBondContact CD1-OD1 3.19Å; I106-N129 VanDerWaalsContact CG1-OD1 3.23Å; I106-N129 WeakPolarHBondContact CG1-OD1 3.01Å; I106-N129 PolarHBondContact N-OD1 3.34Å; L126-N129 PolarHBondContact O-ND2 3.47Å; S127-N129 PolarHBondContact O-N 3.4Å; S127-N129 PolarHBondContact O-ND2 3.24Å; N129-L131 HydrophobicContact CB-CG 4.37Å; N129-N151 WeakPolarHBondContact CA-OD1 3.33Å; N129-N151 WeakPolarHBondContact CB-OD1 3.09Å; N129-N151 PolarHBondContact N-OD1 2.86Å; N129-N151 PolarHBondContact O-OD1 2.89Å; N129-N151 VanDerWaalsContact O-OD1 3.14Å; N129-P152 WeakPolarHBondContact O-CD 3.48Å
130	Q	97.8	Very high	94.6	Very high	81 Å²	81	42.7 Å²	42.7	38%	0.379	21%	0.211	S	C	.	.			trans	-113.7	26.5	-178.7	-58.4	-170.1	20.5	0	0	112.3	H105 I106 E107 R132 N151	H105-Q130 PolarHBondContact CD2-NE2 3.08Å; I106-Q130 CarbonylContact O-C 3.14Å; I106-Q130 WeakPolarHBondContact O-CA 3.32Å; I106-Q130 PolarHBondContact O-N 2.97Å; E107-Q130 HydrophobicContact CG-CB 3.99Å; Q130-R132 PolarHBondContact O-N 3.14Å; Q130-N151 PolarHBondContact N-OD1 3.35Å
131	L	96.9	Very high	94.4	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.227	C	C	.	.			trans	-69.8	126.1	-177.8	-64.3	169.2	0	0	0	110.6	I106 I109 L126 N129 V134 N151 P152 W153	I106-L131 HydrophobicContact CG2-CD2 3.85Å; I106-L131 PolarHBondContact O-N 3.36Å; I106-L131 VanDerWaalsContact O-N 3.14Å; I109-L131 HydrophobicContact CD1-CD1 4.09Å; I109-L131 HydrophobicContact CD1-CD2 4Å; I109-L131 HydrophobicContact CG1-CD2 3.96Å; L126-L131 HydrophobicContact CB-CD1 4.18Å; L126-L131 HydrophobicContact CD1-CD1 4.39Å; N129-L131 HydrophobicContact CB-CG 4.37Å; L131-V134 HydrophobicContact CD1-CG1 4.42Å; L131-N151 HydrophobicContact CB-CB 4.27Å; L131-N151 WeakPolarHBondContact CB-OD1 3.5Å; L131-N151 PolarHBondContact N-OD1 2.99Å; L131-P152 CarbonylContact O-C 3.41Å; L131-P152 WeakPolarHBondContact O-CD 3.28Å; L131-W153 HydrophobicContact CB-CH2 3.63Å; L131-W153 HydrophobicContact CB-CZ2 4.18Å; L131-W153 HydrophobicContact CB-CZ3 3.92Å; L131-W153 HydrophobicContact CD1-CH2 3.98Å; L131-W153 HydrophobicContact CD1-CZ2 4.46Å; L131-W153 HydrophobicContact CG-CH2 4.45Å
132	R	95.3	Very high	94.1	Very high	172 Å²	172	48.8 Å²	48.8	65%	0.649	23%	0.232	S	C	*	.	S	Bend	trans	-96.5	-35.5	171.4	-63.6	-175.6	178.6	-161.5	-0.6	112	Q130 P152 H154	Q130-R132 PolarHBondContact O-N 3.14Å; R132-P152 HydrophobicContact CG-CG 4.36Å; R132-H154 HydrophobicContact CB-CB 4.35Å; R132-H154 PolarHBondContact O-N 3.25Å
133	S	93.6	Very high	93.9	Very high	52 Å²	52	44.4 Å²	44.4	36%	0.364	23%	0.226	S	C	.	.			trans	-149.9	168.2	176.6	62.9	0	0	0	0	109.6
134	V	93.9	Very high	93.7	Very high	5 Å²	5	43.5 Å²	43.5	3%	0.03	22%	0.219	C	C	.	.			trans	-133.8	137.1	178	-81	0	0	0	0	109.6	I109 L131 F139 W153 L159 V162	I109-V134 HydrophobicContact CD1-CG1 4.33Å; L131-V134 HydrophobicContact CD1-CG1 4.42Å; V134-F139 HydrophobicContact CB-CD2 4.1Å; V134-F139 HydrophobicContact CB-CE2 3.55Å; V134-F139 HydrophobicContact CB-CZ 4.29Å; V134-F139 HydrophobicContact CG1-CE2 3.66Å; V134-F139 HydrophobicContact CG1-CZ 3.94Å; V134-F139 HydrophobicContact CG2-CE2 4.33Å; V134-W153 HydrophobicContact CG1-CH2 3.82Å; V134-W153 HydrophobicContact CG1-CZ3 3.95Å; V134-W153 HydrophobicContact CG2-CH2 4.47Å; V134-W153 HydrophobicContact CG2-CZ3 4.17Å; V134-L159 HydrophobicContact CG2-CD1 3.99Å; V134-V162 HydrophobicContact CG2-CB 4.31Å; V134-V162 HydrophobicContact CG2-CG1 3.8Å
135	P	92.9	Very high	93.6	Very high	34 Å²	34	50.1 Å²	50.1	22%	0.221	24%	0.244	C	C	.	.			trans	-71.6	133.7	177.7	30	-34.9	0	0	0	110.1	I109 E137 A138 F139	I109-P135 VanDerWaalsContact O-CG 3.26Å; I109-P135 WeakPolarHBondContact O-CG 3.48Å; P135-E137 PolarHBondContact O-N 2.98Å; P135-A138 HydrophobicContact CG-CB 3.78Å; P135-A138 PolarHBondContact O-N 3.21Å; P135-F139 WeakPolarHBondContact O-CD2 3.17Å
136	K	91	Very high	93.4	Very high	62 Å²	62	49.2 Å²	49.2	27%	0.27	24%	0.24	S	C	.	.	H	α-helix	trans	-55.9	-42	-179.5	-179.9	172	178.4	166.2	0	112	A138 F139 T140 V162 E165	K136-A138 VanDerWaalsContact C-N 3.27Å; K136-A138 PolarHBondContact O-N 3.49Å; K136-F139 PolarHBondContact O-N 2.85Å; K136-T140 HydrophobicContact CD-CG2 4.35Å; K136-T140 HydrophobicContact CG-CG2 3.51Å; K136-T140 WeakPolarHBondContact O-CG2 3.44Å; K136-T140 PolarHBondContact O-N 3.25Å; K136-V162 VanDerWaalsContact CA-CG2 3.45Å; K136-V162 HydrophobicContact CB-CG2 3.62Å; K136-V162 HydrophobicContact CG-CG2 4.2Å; K136-E165 WeakPolarHBondContact CE-OE1 3.21Å; K136-E165 WeakPolarHBondContact CE-OE2 3.47Å; K136-E165 IonicContact NZ-OE1 2.72Å; K136-E165 PolarHBondContact NZ-OE1 3.36Å; K136-E165 IonicContact NZ-OE2 3.91Å
137	E	91.1	Very high	93.4	Very high	115 Å²	115	52.3 Å²	52.3	54%	0.537	25%	0.251	S	S	.	.	H	α-helix	trans	-58.8	-38.1	-175.5	-61.6	73	-157	0	0	112	A111 P135 F139 T140	A111-E137 HydrophobicContact CB-CB 3.82Å; A111-E137 HydrophobicContact CB-CG 4.44Å; A111-E137 CarbonylContact O-C 3.25Å; P135-E137 PolarHBondContact O-N 2.98Å; E137-F139 PolarHBondContact O-N 3.38Å; E137-T140 PolarHBondContact O-OG1 2.79Å; E137-T140 VanDerWaalsContact O-OG1 3.06Å
138	A	91.9	Very high	93.3	Very high	6 Å²	6	51.9 Å²	51.9	5%	0.05	25%	0.248	C	C	.	.	H	α-helix	trans	-65.5	-26.1	-179.2	0	0	0	0	0	112.6	I109 A111 F114 P135 K136 L142	I109-A138 HydrophobicContact CG2-CB 4.3Å; A111-A138 WeakPolarHBondContact O-CA 3.45Å; A111-A138 PolarHBondContact O-N 3.41Å; A111-A138 VanDerWaalsContact O-N 3.1Å; F114-A138 HydrophobicContact CD2-CB 4.23Å; P135-A138 HydrophobicContact CG-CB 3.78Å; P135-A138 PolarHBondContact O-N 3.21Å; K136-A138 VanDerWaalsContact C-N 3.27Å; K136-A138 PolarHBondContact O-N 3.49Å; A138-L142 WeakPolarHBondContact O-CD1 3.5Å
139	F	91.2	Very high	93.2	Very high	5 Å²	5	49.7 Å²	49.7	2%	0.022	24%	0.237	C	C	.	.	H	α-helix	trans	-111.9	-19.8	-173.1	-64.3	-89.7	0	0	0	114.9	I109 F114 L124 L126 V134 P135 K136 E137 K141 L142 I146 V162 L166	I109-F139 HydrophobicContact CD1-CE2 4.47Å; I109-F139 HydrophobicContact CD1-CZ 4.08Å; F114-F139 HydrophobicContact CE2-CE1 4.06Å; F114-F139 HydrophobicContact CE2-CE2 4.37Å; F114-F139 AromaticContact CE2-CZ 3.83Å; F114-F139 HydrophobicContact CE2-CZ 3.83Å; L124-F139 HydrophobicContact CD2-CE1 3.93Å; L126-F139 HydrophobicContact CD1-CE1 4.14Å; L126-F139 HydrophobicContact CD1-CZ 3.93Å; V134-F139 HydrophobicContact CB-CD2 4.1Å; V134-F139 HydrophobicContact CB-CE2 3.55Å; V134-F139 HydrophobicContact CB-CZ 4.29Å; V134-F139 HydrophobicContact CG1-CE2 3.66Å; V134-F139 HydrophobicContact CG1-CZ 3.94Å; V134-F139 HydrophobicContact CG2-CE2 4.33Å; P135-F139 WeakPolarHBondContact O-CD2 3.17Å; K136-F139 PolarHBondContact O-N 2.85Å; E137-F139 PolarHBondContact O-N 3.38Å; F139-K141 PolarHBondContact O-N 3.42Å; F139-L142 HydrophobicContact CD1-CD1 3.76Å; F139-L142 HydrophobicContact CE1-CD1 4.33Å; F139-L142 HydrophobicContact CG-CD1 4.38Å; F139-L142 WeakPolarHBondContact O-CB 3.32Å; F139-L142 PolarHBondContact O-N 2.81Å; F139-I146 HydrophobicContact CD1-CD1 3.78Å; F139-I146 HydrophobicContact CE1-CD1 4.32Å; F139-I146 HydrophobicContact CE1-CG2 4.37Å; F139-V162 HydrophobicContact CB-CG1 4.46Å; F139-L166 HydrophobicContact CB-CD2 3.48Å; F139-L166 VanDerWaalsContact CB-CD2 3.48Å; F139-L166 HydrophobicContact CD1-CD2 3.9Å; F139-L166 HydrophobicContact CG-CD2 3.95Å
140	T	86.5	Confident	93	Very high	67 Å²	67	53.1 Å²	53.1	41%	0.411	26%	0.255	S	S	.	.	H	α-helix	trans	-51.2	-34.8	-179.8	52.8	0	0	0	0	114.8	K136 E137	K136-T140 HydrophobicContact CD-CG2 4.35Å; K136-T140 HydrophobicContact CG-CG2 3.51Å; K136-T140 WeakPolarHBondContact O-CG2 3.44Å; K136-T140 PolarHBondContact O-N 3.25Å; E137-T140 PolarHBondContact O-OG1 2.79Å; E137-T140 VanDerWaalsContact O-OG1 3.06Å
141	K	87.6	Confident	93	Very high	135 Å²	135	49.8 Å²	49.8	59%	0.587	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-6.1	-178.4	-63.5	-176.5	-179.3	179.4	0	113.4	L115 F139	L115-K141 HydrophobicContact CD1-CD 3.96Å; F139-K141 PolarHBondContact O-N 3.42Å
142	L	90.3	Very high	93	Very high	20 Å²	20	51.6 Å²	51.6	11%	0.105	25%	0.252	C	S	.	.			trans	-84.2	125.9	-178.3	-71.1	171.7	0	0	0	110.3	F114 L121 L124 A138 F139	F114-L142 HydrophobicContact CB-CD1 3.83Å; F114-L142 HydrophobicContact CB-CD2 3.96Å; F114-L142 HydrophobicContact CB-CG 4.21Å; F114-L142 HydrophobicContact CD2-CD1 3.73Å; F114-L142 HydrophobicContact CG-CD1 3.9Å; L121-L142 HydrophobicContact CB-CD2 4.36Å; L121-L142 HydrophobicContact CD2-CD2 4Å; L124-L142 HydrophobicContact CD2-CD1 4.24Å; A138-L142 WeakPolarHBondContact O-CD1 3.5Å; F139-L142 HydrophobicContact CD1-CD1 3.76Å; F139-L142 HydrophobicContact CE1-CD1 4.33Å; F139-L142 HydrophobicContact CG-CD1 4.38Å; F139-L142 WeakPolarHBondContact O-CB 3.32Å; F139-L142 PolarHBondContact O-N 2.81Å
143	S	89.6	Confident	93	Very high	70 Å²	70	43.4 Å²	43.4	49%	0.49	22%	0.221	S	C	.	.			trans	-100.4	7.2	173.1	64	0	0	0	0	113.6
144	A	92.8	Very high	93	Very high	1 Å²	1	43.5 Å²	43.5	1%	0.008	22%	0.215	C	C	.	.	S	Bend	trans	-71.6	155.6	-177.6	0	0	0	0	0	113	L121 R122	L121-A144 HydrophobicContact CB-CB 4.38Å; L121-A144 HydrophobicContact CD2-CB 4.34Å; L121-A144 HydrophobicContact CG-CB 4.23Å; L121-A144 WeakPolarHBondContact O-CB 3.06Å; R122-A144 WeakPolarHBondContact O-CA 3.18Å
145	R	94.5	Very high	92.9	Very high	139 Å²	139	43.4 Å²	43.4	53%	0.525	22%	0.215	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	127.2	161.7	-73.4	-174.8	-71.3	158.5	-3.6	108.9	R122 S123 L124 R167	R122-R145 PolarHBondContact O-N 2.96Å; S123-R145 WeakPolarHBondContact CA-O 2.98Å; L124-R145 PolarHBondContact N-O 3.43Å; R145-R167 WeakPolarHBondContact CA-O 3.36Å
146	I	94.8	Very high	92.8	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	131.8	-174.3	-58.5	153.7	0	0	0	109.5	L124 F139 L148 L166 R167 L168 D169	L124-I146 HydrophobicContact CB-CG1 4.19Å; L124-I146 HydrophobicContact CD2-CG1 4.46Å; L124-I146 HydrophobicContact CD2-CG2 4.49Å; L124-I146 WeakPolarHBondContact O-CA 3.34Å; F139-I146 HydrophobicContact CD1-CD1 3.78Å; F139-I146 HydrophobicContact CE1-CD1 4.32Å; F139-I146 HydrophobicContact CE1-CG2 4.37Å; I146-L148 HydrophobicContact CG2-CD1 4.47Å; I146-L148 HydrophobicContact CG2-CD2 3.75Å; I146-L148 HydrophobicContact CG2-CG 3.84Å; I146-L166 HydrophobicContact CD1-CD2 3.39Å; I146-L166 HydrophobicContact CD1-CG 4.39Å; I146-R167 PolarHBondContact N-O 3.44Å; I146-L168 WeakPolarHBondContact O-CA 3.39Å; I146-D169 PolarHBondContact O-N 2.82Å
147	R	96.1	Very high	92.7	Very high	65 Å²	65	43.2 Å²	43.2	25%	0.245	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	124.8	172.9	-59.9	-172.6	-168.1	123.6	-1.4	109.8	L124 D125 L126 S127 D169 T172	L124-R147 PolarHBondContact O-N 3.01Å; D125-R147 WeakPolarHBondContact OD2-CD 3.07Å; D125-R147 IonicContact OD2-CZ 3.99Å; D125-R147 IonicContact OD2-NH1 3.04Å; D125-R147 PolarHBondContact OD2-NH1 3.19Å; L126-R147 CarbonylContact C-O 3.37Å; L126-R147 PolarHBondContact N-O 2.92Å; S127-R147 PolarHBondContact N-O 3.01Å; R147-D169 HydrophobicContact CG-CB 3.81Å; R147-D169 IonicContact CZ-OD2 3.51Å; R147-D169 IonicContact NE-OD2 2.86Å; R147-D169 PolarHBondContact NE-OD2 3.08Å; R147-D169 IonicContact NH2-OD2 3.23Å; R147-D169 PolarHBondContact NH2-OD2 3.44Å; R147-T172 HydrophobicContact CG-CG2 4.43Å
148	L	95.4	Very high	92.6	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	21%	0.208	C	C	.	.			trans	-126.1	9.2	-174.2	-68.8	-174	0	0	0	112.4	L126 I146 N151 W153 L163 L166 L168 V176	L126-L148 HydrophobicContact CB-CD2 4.05Å; L126-L148 HydrophobicContact CD1-CD2 4.12Å; I146-L148 HydrophobicContact CG2-CD1 4.47Å; I146-L148 HydrophobicContact CG2-CD2 3.75Å; I146-L148 HydrophobicContact CG2-CG 3.84Å; L148-N151 PolarHBondContact O-ND2 2.87Å; L148-W153 HydrophobicContact CB-CZ2 3.64Å; L148-W153 HydrophobicContact CD1-CH2 4.2Å; L148-W153 HydrophobicContact CD1-CZ2 4.02Å; L148-W153 HydrophobicContact CD2-CH2 4.08Å; L148-W153 HydrophobicContact CD2-CZ2 3.9Å; L148-W153 HydrophobicContact CG-CZ2 4.04Å; L148-W153 PolarHBondContact O-NE1 3.1Å; L148-L163 HydrophobicContact CD1-CD2 3.87Å; L148-L166 HydrophobicContact CD1-CD1 3.87Å; L148-L168 HydrophobicContact CD1-CD2 3.83Å; L148-L168 HydrophobicContact CG-CD2 4.2Å; L148-V176 HydrophobicContact CB-CG2 4.18Å
149	S	95.4	Very high	92.6	Very high	4 Å²	4	39.7 Å²	39.7	3%	0.028	21%	0.205	C	C	.	.			trans	-61.8	156.9	-175.8	56.8	0	0	0	0	112.3	S127 N128 N151 E175	S127-S149 CarbonylContact C-O 3.54Å; S127-S149 WeakPolarHBondContact CA-O 3.26Å; S127-S149 WeakPolarHBondContact CB-OG 3.48Å; N128-S149 PolarHBondContact N-O 3.33Å; S149-N151 PolarHBondContact O-N 3.2Å; S149-N151 PolarHBondContact O-ND2 3.04Å; S149-N151 VanDerWaalsContact O-ND2 3.13Å; S149-E175 VanDerWaalsContact CB-CB 3.49Å; S149-E175 WeakPolarHBondContact CB-OE2 3.34Å; S149-E175 PolarHBondContact OG-OE2 3.11Å
150	N	95.6	Very high	92.5	Very high	82 Å²	82	39.7 Å²	39.7	44%	0.439	21%	0.206	S	C	.	.	S	Bend	trans	55.2	48	175.1	-54.8	-48	0	0	0	113.4	N128	N128-N150 VanDerWaalsContact CA-O 3.27Å; N128-N150 WeakPolarHBondContact CA-O 3.4Å; N128-N150 PolarHBondContact N-O 2.71Å; N128-N150 WeakPolarHBondContact OD1-CB 3.33Å
151	N	96.9	Very high	92.6	Very high	10 Å²	10	40.3 Å²	40.3	5%	0.053	20%	0.204	C	C	.	.	S	Bend	trans	-124.4	147.3	170.7	-83.7	-87.9	0	0	0	109.2	L126 N129 Q130 L131 L148 S149 W153	L126-N151 PolarHBondContact O-ND2 3.39Å; N129-N151 WeakPolarHBondContact CA-OD1 3.33Å; N129-N151 WeakPolarHBondContact CB-OD1 3.09Å; N129-N151 PolarHBondContact N-OD1 2.86Å; N129-N151 PolarHBondContact O-OD1 2.89Å; N129-N151 VanDerWaalsContact O-OD1 3.14Å; Q130-N151 PolarHBondContact N-OD1 3.35Å; L131-N151 HydrophobicContact CB-CB 4.27Å; L131-N151 WeakPolarHBondContact CB-OD1 3.5Å; L131-N151 PolarHBondContact N-OD1 2.99Å; L148-N151 PolarHBondContact O-ND2 2.87Å; S149-N151 PolarHBondContact O-N 3.2Å; S149-N151 PolarHBondContact O-ND2 3.04Å; S149-N151 VanDerWaalsContact O-ND2 3.13Å; N151-W153 HydrophobicContact CB-CD2 4.24Å; N151-W153 HydrophobicContact CB-CG 4.48Å; N151-W153 HydrophobicContact CB-CZ2 3.71Å; N151-W153 VanDerWaalsContact O-CD1 3.29Å; N151-W153 PolarHBondContact O-N 2.7Å
152	P	96.3	Very high	92.8	Very high	38 Å²	38	34.1 Å²	34.1	25%	0.247	18%	0.177	C	C	.	.			trans	-76.8	62.1	-178.7	33.8	-37.5	0	0	0	112.3	N129 L131 R132 H154 H179	N129-P152 WeakPolarHBondContact O-CD 3.48Å; L131-P152 CarbonylContact O-C 3.41Å; L131-P152 WeakPolarHBondContact O-CD 3.28Å; R132-P152 HydrophobicContact CG-CG 4.36Å; P152-H154 PolarHBondContact O-N 3.2Å; P152-H179 HydrophobicContact CB-CB 4.18Å
153	W	95.6	Very high	92.7	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	132.4	-174.3	-66	110.5	0	0	0	112.8	L131 V134 L148 N151 L159 H179 T180	L131-W153 HydrophobicContact CB-CH2 3.63Å; L131-W153 HydrophobicContact CB-CZ2 4.18Å; L131-W153 HydrophobicContact CB-CZ3 3.92Å; L131-W153 HydrophobicContact CD1-CH2 3.98Å; L131-W153 HydrophobicContact CD1-CZ2 4.46Å; L131-W153 HydrophobicContact CG-CH2 4.45Å; V134-W153 HydrophobicContact CG1-CH2 3.82Å; V134-W153 HydrophobicContact CG1-CZ3 3.95Å; V134-W153 HydrophobicContact CG2-CH2 4.47Å; V134-W153 HydrophobicContact CG2-CZ3 4.17Å; L148-W153 HydrophobicContact CB-CZ2 3.64Å; L148-W153 HydrophobicContact CD1-CH2 4.2Å; L148-W153 HydrophobicContact CD1-CZ2 4.02Å; L148-W153 HydrophobicContact CD2-CH2 4.08Å; L148-W153 HydrophobicContact CD2-CZ2 3.9Å; L148-W153 HydrophobicContact CG-CZ2 4.04Å; L148-W153 PolarHBondContact O-NE1 3.1Å; N151-W153 HydrophobicContact CB-CD2 4.24Å; N151-W153 HydrophobicContact CB-CG 4.48Å; N151-W153 HydrophobicContact CB-CZ2 3.71Å; N151-W153 VanDerWaalsContact O-CD1 3.29Å; N151-W153 PolarHBondContact O-N 2.7Å; W153-L159 HydrophobicContact CB-CD2 3.91Å; W153-L159 HydrophobicContact CD2-CD1 4.48Å; W153-L159 HydrophobicContact CD2-CD2 4.29Å; W153-L159 HydrophobicContact CE3-CD1 3.68Å; W153-L159 HydrophobicContact CE3-CD2 3.92Å; W153-L159 HydrophobicContact CE3-CG 4.49Å; W153-L159 HydrophobicContact CG-CD2 4.31Å; W153-L159 HydrophobicContact CZ3-CD1 3.9Å; W153-H179 PolarHBondContact O-N 2.99Å; W153-T180 PolarHBondContact O-N 3.13Å; W153-T180 VanDerWaalsContact O-N 3.08Å
154	H	93.9	Very high	92.6	Very high	54 Å²	54	37 Å²	37	25%	0.25	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	105.5	168.3	-172.1	64.3	0	0	0	108.9	R132 P152 E156 L159 T180	R132-H154 HydrophobicContact CB-CB 4.35Å; R132-H154 PolarHBondContact O-N 3.25Å; P152-H154 PolarHBondContact O-N 3.2Å; H154-E156 IonicContact CD2-OE2 3.92Å; H154-E156 PolarHBondContact O-N 3.29Å; H154-L159 WeakPolarHBondContact O-CD2 3.43Å; H154-T180 CarbonylContact C-O 3.6Å; H154-T180 WeakPolarHBondContact CA-O 3.44Å; H154-T180 WeakPolarHBondContact ND1-CB 3.42Å; H154-T180 PolarHBondContact ND1-OG1 2.04Å
155	C	92.4	Very high	92.3	Very high	4 Å²	4	42 Å²	42	3%	0.027	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	105	-178.3	-72.9	0	0	0	0	111.2	C178 T180 S181 V182 F201	C155-C178 HydrophobicContact CB-CB 3.73Å; C155-C178 WeakPolarHBondContact CB-SG 3.46Å; C155-C178 VanDerWaalsContact SG-CA 3.51Å; C155-C178 WeakPolarHBondContact SG-CB 3.45Å; C155-C178 CovalentContact SG-SG 2.01Å; C155-C178 PolarHBondContact SG-SG 3.38Å; C155-T180 PolarHBondContact N-O 3.34Å; C155-S181 WeakPolarHBondContact O-CA 3.38Å; C155-V182 PolarHBondContact O-N 2.01Å; C155-V182 VanDerWaalsContact O-N 3.11Å; C155-F201 HydrophobicContact CB-CE2 4.34Å
156	E	90.8	Very high	92	Very high	61 Å²	61	36.4 Å²	36.4	29%	0.285	18%	0.18	S	C	.	.	S	Bend	trans	-139.4	-176.2	177.5	66.8	178.7	163.9	0	0	110.5	H154 A158 L159 Q160 V182	H154-E156 IonicContact CD2-OE2 3.92Å; H154-E156 PolarHBondContact O-N 3.29Å; E156-A158 HydrophobicContact CG-CB 4.25Å; E156-A158 PolarHBondContact O-N 2.84Å; E156-L159 PolarHBondContact O-N 3.44Å; E156-Q160 WeakPolarHBondContact O-CB 3.27Å; E156-Q160 PolarHBondContact O-N 2.94Å; E156-Q160 VanDerWaalsContact O-N 3.08Å; E156-V182 HydrophobicContact CB-CG2 3.68Å
157	C	88.9	Confident	91.8	Very high	30 Å²	30	44.5 Å²	44.5	20%	0.203	21%	0.211	C	C	.	.	H	α-helix	trans	-55.6	-47.1	179.5	174.3	0	0	0	0	112.8	L159 Q160 E161 F201 C202	C157-L159 PolarHBondContact O-N 3.38Å; C157-Q160 PolarHBondContact O-N 3.14Å; C157-E161 PolarHBondContact O-N 3.4Å; C157-F201 HydrophobicContact CB-CB 4.43Å; C157-C202 VanDerWaalsContact CA-SG 3.57Å; C157-C202 HydrophobicContact CB-CB 3.91Å; C157-C202 WeakPolarHBondContact CB-SG 3.09Å; C157-C202 WeakPolarHBondContact SG-CA 3.48Å; C157-C202 WeakPolarHBondContact SG-CB 3.39Å; C157-C202 CovalentContact SG-SG 2.04Å; C157-C202 PolarHBondContact SG-SG 2.88Å
158	A	88.9	Confident	91.5	Very high	46 Å²	46	43.2 Å²	43.2	38%	0.38	21%	0.208	S	C	.	.	H	α-helix	trans	-58.9	-49.5	-177.8	0	0	0	0	0	111.9	E156 Q160 E161 V162	E156-A158 HydrophobicContact CG-CB 4.25Å; E156-A158 PolarHBondContact O-N 2.84Å; A158-Q160 VanDerWaalsContact C-N 3.33Å; A158-Q160 PolarHBondContact O-N 3.02Å; A158-E161 PolarHBondContact O-N 3.44Å; A158-V162 WeakPolarHBondContact O-CG2 3.35Å; A158-V162 PolarHBondContact O-N 3.39Å
159	L	91.1	Very high	91.2	Very high	1 Å²	1	43.3 Å²	43.3	1%	0.005	21%	0.209	C	C	.	.	H	α-helix	trans	-63.2	-40.6	178.7	-174.2	63.5	0	0	0	111.6	V134 W153 H154 E156 C157 E161 V162 L163	V134-L159 HydrophobicContact CG2-CD1 3.99Å; W153-L159 HydrophobicContact CB-CD2 3.91Å; W153-L159 HydrophobicContact CD2-CD1 4.48Å; W153-L159 HydrophobicContact CD2-CD2 4.29Å; W153-L159 HydrophobicContact CE3-CD1 3.68Å; W153-L159 HydrophobicContact CE3-CD2 3.92Å; W153-L159 HydrophobicContact CE3-CG 4.49Å; W153-L159 HydrophobicContact CG-CD2 4.31Å; W153-L159 HydrophobicContact CZ3-CD1 3.9Å; H154-L159 WeakPolarHBondContact O-CD2 3.43Å; E156-L159 PolarHBondContact O-N 3.44Å; C157-L159 PolarHBondContact O-N 3.38Å; L159-E161 VanDerWaalsContact C-N 3.33Å; L159-E161 PolarHBondContact O-N 2.93Å; L159-V162 PolarHBondContact O-N 3.33Å; L159-L163 HydrophobicContact CD1-CD1 3.98Å; L159-L163 HydrophobicContact CD1-CD2 4.33Å; L159-L163 HydrophobicContact CD1-CG 3.96Å; L159-L163 HydrophobicContact CD2-CD1 4.22Å; L159-L163 HydrophobicContact CG-CD1 3.72Å; L159-L163 HydrophobicContact CG-CG 4.1Å; L159-L163 WeakPolarHBondContact O-CB 3.39Å; L159-L163 VanDerWaalsContact O-CG 3.27Å; L159-L163 WeakPolarHBondContact O-CG 3.33Å; L159-L163 PolarHBondContact O-N 3.18Å
160	Q	89.8	Confident	90.8	Very high	5 Å²	5	47.9 Å²	47.9	2%	0.023	24%	0.239	C	C	.	.	H	α-helix	trans	-60.3	-40.2	178	179.1	171.2	16.1	0	0	112.6	E156 C157 A158 R164 L195 I199 F201	E156-Q160 WeakPolarHBondContact O-CB 3.27Å; E156-Q160 PolarHBondContact O-N 2.94Å; E156-Q160 VanDerWaalsContact O-N 3.08Å; C157-Q160 PolarHBondContact O-N 3.14Å; A158-Q160 VanDerWaalsContact C-N 3.33Å; A158-Q160 PolarHBondContact O-N 3.02Å; Q160-R164 WeakPolarHBondContact O-CG 3.32Å; Q160-R164 PolarHBondContact O-N 3.23Å; Q160-L195 HydrophobicContact CG-CD2 3.85Å; Q160-I199 PolarHBondContact NE2-O 3.3Å; Q160-F201 HydrophobicContact CB-CD2 4.2Å
161	E	88.6	Confident	90.4	Very high	81 Å²	81	51.6 Å²	51.6	38%	0.379	25%	0.253	S	S	.	.	H	α-helix	trans	-65.2	-44.5	176.5	-71.6	-173	177.6	0	0	112.2	C157 A158 L159 R164	C157-E161 PolarHBondContact O-N 3.4Å; A158-E161 PolarHBondContact O-N 3.44Å; L159-E161 VanDerWaalsContact C-N 3.33Å; L159-E161 PolarHBondContact O-N 2.93Å; E161-R164 PolarHBondContact O-N 3.44Å
162	V	90.4	Very high	90.1	Very high	4 Å²	4	52.1 Å²	52.1	2%	0.024	26%	0.257	C	S	.	.	H	α-helix	trans	-64.7	-49.3	-179.5	-179.5	0	0	0	0	110.8	V134 K136 F139 A158 L159 R164 E165 L166	V134-V162 HydrophobicContact CG2-CB 4.31Å; V134-V162 HydrophobicContact CG2-CG1 3.8Å; K136-V162 VanDerWaalsContact CA-CG2 3.45Å; K136-V162 HydrophobicContact CB-CG2 3.62Å; K136-V162 HydrophobicContact CG-CG2 4.2Å; F139-V162 HydrophobicContact CB-CG1 4.46Å; A158-V162 WeakPolarHBondContact O-CG2 3.35Å; A158-V162 PolarHBondContact O-N 3.39Å; L159-V162 PolarHBondContact O-N 3.33Å; V162-R164 PolarHBondContact O-N 2.98Å; V162-R164 VanDerWaalsContact O-N 3.16Å; V162-E165 PolarHBondContact O-N 3.05Å; V162-L166 HydrophobicContact CG1-CD1 3.74Å; V162-L166 HydrophobicContact CG1-CD2 4.41Å; V162-L166 HydrophobicContact CG1-CG 3.87Å; V162-L166 WeakPolarHBondContact O-CG 3.2Å; V162-L166 PolarHBondContact O-N 3.14Å; V162-L166 VanDerWaalsContact O-N 3.12Å
163	L	89	Confident	89.7	Confident	8 Å²	8	51.6 Å²	51.6	4%	0.042	25%	0.253	C	S	.	.	H	α-helix	trans	-65	-21.6	-175.8	-66.1	179.5	0	0	0	113.8	L148 L159 E165 L166 L168 V191 L195	L148-L163 HydrophobicContact CD1-CD2 3.87Å; L159-L163 HydrophobicContact CD1-CD1 3.98Å; L159-L163 HydrophobicContact CD1-CD2 4.33Å; L159-L163 HydrophobicContact CD1-CG 3.96Å; L159-L163 HydrophobicContact CD2-CD1 4.22Å; L159-L163 HydrophobicContact CG-CD1 3.72Å; L159-L163 HydrophobicContact CG-CG 4.1Å; L159-L163 WeakPolarHBondContact O-CB 3.39Å; L159-L163 VanDerWaalsContact O-CG 3.27Å; L159-L163 WeakPolarHBondContact O-CG 3.33Å; L159-L163 PolarHBondContact O-N 3.18Å; L163-E165 VanDerWaalsContact C-N 3.34Å; L163-L166 HydrophobicContact CD2-CD1 3.98Å; L163-L168 HydrophobicContact CD2-CD1 4.23Å; L163-L168 HydrophobicContact CD2-CD2 4.32Å; L163-V191 HydrophobicContact CD1-CB 4.12Å; L163-V191 HydrophobicContact CD1-CG1 3.23Å; L163-V191 HydrophobicContact CD1-CG2 4.31Å; L163-L195 HydrophobicContact CB-CD1 4.12Å
164	R	86.4	Confident	89.3	Confident	142 Å²	142	57 Å²	57	54%	0.536	28%	0.282	S	S	.	.	H	α-helix	trans	-69.7	-29.7	172.2	-81.5	178.8	172.9	146.3	0.6	113.4	Q160 E161 V162 L195	Q160-R164 WeakPolarHBondContact O-CG 3.32Å; Q160-R164 PolarHBondContact O-N 3.23Å; E161-R164 PolarHBondContact O-N 3.44Å; V162-R164 PolarHBondContact O-N 2.98Å; V162-R164 VanDerWaalsContact O-N 3.16Å; R164-L195 HydrophobicContact CG-CD2 4.23Å
165	E	86.6	Confident	89.2	Confident	108 Å²	108	58.9 Å²	58.9	51%	0.505	29%	0.291	S	S	.	.	H	α-helix	trans	-93.7	-22.4	-178.4	-66.2	-179.1	-164	0	0	112.1	K136 V162 L163	K136-E165 WeakPolarHBondContact CE-OE1 3.21Å; K136-E165 WeakPolarHBondContact CE-OE2 3.47Å; K136-E165 IonicContact NZ-OE1 2.72Å; K136-E165 PolarHBondContact NZ-OE1 3.36Å; K136-E165 IonicContact NZ-OE2 3.91Å; V162-E165 PolarHBondContact O-N 3.05Å; L163-E165 VanDerWaalsContact C-N 3.34Å
166	L	89.1	Confident	89.2	Confident	21 Å²	21	58.9 Å²	58.9	11%	0.11	29%	0.29	C	S	.	.			trans	-73.2	141.8	-177	-72.6	-173.5	0	0	0	114	F139 I146 L148 V162 L163 L168	F139-L166 HydrophobicContact CB-CD2 3.48Å; F139-L166 VanDerWaalsContact CB-CD2 3.48Å; F139-L166 HydrophobicContact CD1-CD2 3.9Å; F139-L166 HydrophobicContact CG-CD2 3.95Å; I146-L166 HydrophobicContact CD1-CD2 3.39Å; I146-L166 HydrophobicContact CD1-CG 4.39Å; L148-L166 HydrophobicContact CD1-CD1 3.87Å; V162-L166 HydrophobicContact CG1-CD1 3.74Å; V162-L166 HydrophobicContact CG1-CD2 4.41Å; V162-L166 HydrophobicContact CG1-CG 3.87Å; V162-L166 WeakPolarHBondContact O-CG 3.2Å; V162-L166 PolarHBondContact O-N 3.14Å; V162-L166 VanDerWaalsContact O-N 3.12Å; L163-L166 HydrophobicContact CD2-CD1 3.98Å; L166-L168 HydrophobicContact CB-CD2 4.18Å; L166-L168 HydrophobicContact CB-CG 4.37Å; L166-L168 HydrophobicContact CD1-CD2 4.27Å; L166-L168 PolarHBondContact O-N 3.42Å
167	R	89.9	Confident	89.4	Confident	170 Å²	170	58.2 Å²	58.2	64%	0.642	29%	0.293	S	S	*	.			trans	-89.2	81.9	167	-67.9	-177.3	176	175.5	-1.7	110.3	R145 I146	R145-R167 WeakPolarHBondContact CA-O 3.36Å; I146-R167 PolarHBondContact N-O 3.44Å
168	L	90.1	Very high	89.6	Confident	38 Å²	38	56.8 Å²	56.8	20%	0.199	28%	0.283	C	S	.	.	B	Isolated β-bridge	trans	-68.2	144.4	175	-59.4	178.3	0	0	0	111	I146 L148 L163 L166 V173	I146-L168 WeakPolarHBondContact O-CA 3.39Å; L148-L168 HydrophobicContact CD1-CD2 3.83Å; L148-L168 HydrophobicContact CG-CD2 4.2Å; L163-L168 HydrophobicContact CD2-CD1 4.23Å; L163-L168 HydrophobicContact CD2-CD2 4.32Å; L166-L168 HydrophobicContact CB-CD2 4.18Å; L166-L168 HydrophobicContact CB-CG 4.37Å; L166-L168 HydrophobicContact CD1-CD2 4.27Å; L166-L168 PolarHBondContact O-N 3.42Å; L168-V173 HydrophobicContact CB-CG2 4.19Å; L168-V173 HydrophobicContact CD1-CG2 3.9Å
169	D	89.4	Confident	89.9	Confident	3 Å²	3	60.6 Å²	60.6	2%	0.016	29%	0.293	C	S	.	.			trans	-70.4	120.4	174.8	-165.9	-27.3	0	0	0	110.1	I146 R147 E171 T172 V173	I146-D169 PolarHBondContact O-N 2.82Å; R147-D169 HydrophobicContact CG-CB 3.81Å; R147-D169 IonicContact CZ-OD2 3.51Å; R147-D169 IonicContact NE-OD2 2.86Å; R147-D169 PolarHBondContact NE-OD2 3.08Å; R147-D169 IonicContact NH2-OD2 3.23Å; R147-D169 PolarHBondContact NH2-OD2 3.44Å; D169-E171 PolarHBondContact O-N 3.39Å; D169-E171 VanDerWaalsContact O-N 3.13Å; D169-E171 PolarHBondContact OD1-N 3.22Å; D169-T172 PolarHBondContact O-N 3.04Å; D169-T172 PolarHBondContact O-OG1 3.21Å; D169-V173 PolarHBondContact O-N 3.43Å
170	P	86.9	Confident	90	Very high	100 Å²	100	63.2 Å²	63.2	65%	0.649	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-22.5	-176.1	25.8	-36.7	0	0	0	113.7	T172 V173	P170-T172 VanDerWaalsContact C-N 3.35Å; P170-V173 WeakPolarHBondContact O-CG1 3.18Å
171	E	88.1	Confident	90	Very high	159 Å²	159	63.4 Å²	63.4	74%	0.743	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-32.5	177.6	-65.1	-177.5	178.6	0	0	111.9	D169	D169-E171 PolarHBondContact O-N 3.39Å; D169-E171 VanDerWaalsContact O-N 3.13Å; D169-E171 PolarHBondContact OD1-N 3.22Å
172	T	89.6	Confident	90	Very high	22 Å²	22	62.3 Å²	62.3	14%	0.135	31%	0.31	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-8	-173.6	64.7	0	0	0	0	113.9	R147 D169 P170 N174 E175	R147-T172 HydrophobicContact CG-CG2 4.43Å; D169-T172 PolarHBondContact O-N 3.04Å; D169-T172 PolarHBondContact O-OG1 3.21Å; P170-T172 VanDerWaalsContact C-N 3.35Å; T172-N174 PolarHBondContact O-N 3.01Å; T172-N174 VanDerWaalsContact O-N 3.16Å; T172-E175 WeakPolarHBondContact O-CB 3.23Å; T172-E175 PolarHBondContact O-N 3.21Å
173	V	88.1	Confident	89.7	Confident	26 Å²	26	65 Å²	65	16%	0.158	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-58.3	-32.4	-175.6	72.3	0	0	0	0	113.3	L168 D169 P170 E175 V176 I192	L168-V173 HydrophobicContact CB-CG2 4.19Å; L168-V173 HydrophobicContact CD1-CG2 3.9Å; D169-V173 PolarHBondContact O-N 3.43Å; P170-V173 WeakPolarHBondContact O-CG1 3.18Å; V173-E175 VanDerWaalsContact C-N 3.27Å; V173-E175 PolarHBondContact O-N 3.2Å; V173-V176 WeakPolarHBondContact O-CB 3.03Å; V173-V176 PolarHBondContact O-N 3.28Å; V173-I192 HydrophobicContact CG2-CB 4.49Å
174	N	88	Confident	89.5	Confident	114 Å²	114	71.4 Å²	71.4	61%	0.61	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-71.6	-22.3	179.5	-67.5	-34.5	0	0	0	113.1	T172 V176	T172-N174 PolarHBondContact O-N 3.01Å; T172-N174 VanDerWaalsContact O-N 3.16Å; N174-V176 VanDerWaalsContact C-N 3.3Å
175	E	91	Very high	89.5	Confident	94 Å²	94	71.3 Å²	71.3	44%	0.439	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-86.5	-5.4	176.9	-59.5	179.5	176.8	0	0	112.2	S149 T172 V173 S177	S149-E175 VanDerWaalsContact CB-CB 3.49Å; S149-E175 WeakPolarHBondContact CB-OE2 3.34Å; S149-E175 PolarHBondContact OG-OE2 3.11Å; T172-E175 WeakPolarHBondContact O-CB 3.23Å; T172-E175 PolarHBondContact O-N 3.21Å; V173-E175 VanDerWaalsContact C-N 3.27Å; V173-E175 PolarHBondContact O-N 3.2Å; E175-S177 PolarHBondContact O-N 3.07Å
176	V	93.3	Very high	89.5	Confident	3 Å²	3	67.9 Å²	67.9	2%	0.018	34%	0.344	C	S	.	.			trans	-83.3	99.1	171.4	-172.7	0	0	0	0	107.3	L148 V173 N174 P190 V191	L148-V176 HydrophobicContact CB-CG2 4.18Å; V173-V176 WeakPolarHBondContact O-CB 3.03Å; V173-V176 PolarHBondContact O-N 3.28Å; N174-V176 VanDerWaalsContact C-N 3.3Å; V176-P190 CarbonylContact O-C 3.58Å; V176-P190 WeakPolarHBondContact O-CA 3.07Å; V176-V191 HydrophobicContact CG1-CB 4.25Å; V176-V191 HydrophobicContact CG1-CG2 3.79Å; V176-V191 WeakPolarHBondContact O-CG2 3.41Å; V176-V191 PolarHBondContact O-N 3.08Å
177	S	93.5	Very high	89.6	Confident	47 Å²	47	68.9 Å²	68.9	33%	0.329	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-118.9	148.8	178.3	62.7	0	0	0	0	112.2	E175 H179 R189	E175-S177 PolarHBondContact O-N 3.07Å; S177-H179 PolarHBondContact O-N 2.91Å; S177-R189 CarbonylContact C-O 3.56Å; S177-R189 WeakPolarHBondContact CA-O 3.4Å; S177-R189 WeakPolarHBondContact CB-O 3.42Å
178	C	93.9	Very high	89.6	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	112.9	172.9	-60.4	0	0	0	0	108.6	C155 Y186 G188 R189	C155-C178 HydrophobicContact CB-CB 3.73Å; C155-C178 WeakPolarHBondContact CB-SG 3.46Å; C155-C178 VanDerWaalsContact SG-CA 3.51Å; C155-C178 WeakPolarHBondContact SG-CB 3.45Å; C155-C178 CovalentContact SG-SG 2.01Å; C155-C178 PolarHBondContact SG-SG 3.38Å; C178-Y186 WeakPolarHBondContact CB-O 3.48Å; C178-G188 WeakPolarHBondContact O-CA 3.42Å; C178-G188 PolarHBondContact O-N 3.09Å; C178-R189 PolarHBondContact N-O 3.44Å
179	H	94.4	Very high	89.6	Confident	127 Å²	127	66.9 Å²	66.9	59%	0.588	36%	0.364	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74.9	-42.8	171.7	-176.4	70.1	0	0	0	110.9	P152 W153 S177	P152-H179 HydrophobicContact CB-CB 4.18Å; W153-H179 PolarHBondContact O-N 2.99Å; S177-H179 PolarHBondContact O-N 2.91Å
180	T	93.1	Very high	89.6	Confident	55 Å²	55	68.6 Å²	68.6	34%	0.337	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	160.6	173.3	50.4	0	0	0	0	108.8	W153 H154 C155	W153-T180 PolarHBondContact O-N 3.13Å; W153-T180 VanDerWaalsContact O-N 3.08Å; H154-T180 CarbonylContact C-O 3.6Å; H154-T180 WeakPolarHBondContact CA-O 3.44Å; H154-T180 WeakPolarHBondContact ND1-CB 3.42Å; H154-T180 PolarHBondContact ND1-OG1 2.04Å; C155-T180 PolarHBondContact N-O 3.34Å
181	S	90.9	Very high	89.8	Confident	9 Å²	9	64.1 Å²	64.1	6%	0.063	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	152.8	-177.7	167.6	0	0	0	0	109.3	C155 Q183	C155-S181 WeakPolarHBondContact O-CA 3.38Å; S181-Q183 WeakPolarHBondContact CB-O 3.12Å; S181-Q183 PolarHBondContact O-N 3.35Å; S181-Q183 PolarHBondContact OG-N 3.44Å; S181-Q183 VanDerWaalsContact OG-N 3.1Å; S181-Q183 PolarHBondContact OG-O 2.92Å
182	V	87.6	Confident	89.7	Confident	59 Å²	59	59.6 Å²	59.6	36%	0.358	33%	0.326	S	S	.	.	S	Bend	trans	-62.1	-28.8	171.4	179.4	0	0	0	0	111.3	C155 E156 F204	C155-V182 PolarHBondContact O-N 2.01Å; C155-V182 VanDerWaalsContact O-N 3.11Å; E156-V182 HydrophobicContact CB-CG2 3.68Å; V182-F204 HydrophobicContact CG1-CD1 3.48Å; V182-F204 VanDerWaalsContact CG1-CD1 3.48Å; V182-F204 HydrophobicContact CG1-CE1 3.5Å; V182-F204 VanDerWaalsContact CG1-CE1 3.5Å; V182-F204 HydrophobicContact CG1-CG 4.45Å; V182-F204 HydrophobicContact CG1-CZ 4.48Å
183	Q	84.6	Confident	89.5	Confident	60 Å²	60	62.7 Å²	62.7	28%	0.28	34%	0.339	S	S	.	.	S	Bend	trans	-109.2	117.1	167.2	-100.6	178.3	-55.7	0	0	110.1	S181 E185 Y186 F201	S181-Q183 WeakPolarHBondContact CB-O 3.12Å; S181-Q183 PolarHBondContact O-N 3.35Å; S181-Q183 PolarHBondContact OG-N 3.44Å; S181-Q183 VanDerWaalsContact OG-N 3.1Å; S181-Q183 PolarHBondContact OG-O 2.92Å; Q183-E185 PolarHBondContact O-N 3.24Å; Q183-E185 VanDerWaalsContact O-N 3.09Å; Q183-Y186 HydrophobicContact CB-CD2 3.72Å; Q183-Y186 HydrophobicContact CB-CE2 4.22Å; Q183-Y186 PolarHBondContact O-N 3.47Å; Q183-Y186 VanDerWaalsContact O-N 3.07Å; Q183-F201 HydrophobicContact CB-CE1 4.46Å
184	D	84.7	Confident	89.4	Confident	142 Å²	142	61.6 Å²	61.6	76%	0.759	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-57.6	-27.5	-177.2	-63.1	-43.9	0	0	0	113.5	Y186 A187	D184-Y186 PolarHBondContact O-N 3.3Å; D184-Y186 VanDerWaalsContact O-N 3.17Å; D184-A187 WeakPolarHBondContact O-CB 3.49Å; D184-A187 PolarHBondContact O-N 2.82Å; D184-A187 VanDerWaalsContact O-N 3.1Å
185	E	85.9	Confident	89.2	Confident	141 Å²	141	57.8 Å²	57.8	66%	0.659	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-62.3	-21.8	178.2	-66.6	179.7	161.7	0	0	114.4	Q183 R189	Q183-E185 PolarHBondContact O-N 3.24Å; Q183-E185 VanDerWaalsContact O-N 3.09Å; E185-R189 PolarHBondContact O-NE 3.43Å
186	Y	86.9	Confident	88.8	Confident	36 Å²	36	59.4 Å²	59.4	14%	0.141	32%	0.323	C	S	.	.	G	3₁₀ helix	trans	-100	-5	178.9	-62.3	-74.3	0	0	0	113.1	C178 Q183 D184 R189 V194 I199 F201	C178-Y186 WeakPolarHBondContact CB-O 3.48Å; Q183-Y186 HydrophobicContact CB-CD2 3.72Å; Q183-Y186 HydrophobicContact CB-CE2 4.22Å; Q183-Y186 PolarHBondContact O-N 3.47Å; Q183-Y186 VanDerWaalsContact O-N 3.07Å; D184-Y186 PolarHBondContact O-N 3.3Å; D184-Y186 VanDerWaalsContact O-N 3.17Å; Y186-R189 WeakPolarHBondContact O-CB 3.37Å; Y186-R189 PolarHBondContact O-N 3.34Å; Y186-V194 HydrophobicContact CD1-CG1 4.26Å; Y186-V194 HydrophobicContact CD1-CG2 3.94Å; Y186-V194 HydrophobicContact CG-CG1 4.48Å; Y186-V194 HydrophobicContact CG-CG2 4.43Å; Y186-I199 HydrophobicContact CE2-CB 4.49Å; Y186-I199 HydrophobicContact CE2-CD1 4.11Å; Y186-I199 HydrophobicContact CE2-CG1 3.9Å; Y186-I199 WeakPolarHBondContact OH-CD1 3.39Å; Y186-F201 AromaticContact CD2-CE1 3.99Å; Y186-F201 HydrophobicContact CD2-CE1 3.99Å; Y186-F201 HydrophobicContact CD2-CZ 4.11Å; Y186-F201 HydrophobicContact CE2-CE1 4.46Å; Y186-F201 HydrophobicContact CG-CZ 4.29Å
187	A	91.1	Very high	88.2	Confident	42 Å²	42	62 Å²	62	35%	0.347	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	137.6	170	0	0	0	0	0	110.1	D184 R189	D184-A187 WeakPolarHBondContact O-CB 3.49Å; D184-A187 PolarHBondContact O-N 2.82Å; D184-A187 VanDerWaalsContact O-N 3.1Å; A187-R189 PolarHBondContact O-N 3.26Å
188	G	89.7	Confident	87.3	Confident	59 Å²	59	63 Å²	63	61%	0.608	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.9	-6.6	-174	0	0	0	0	0	115.5	C178	C178-G188 WeakPolarHBondContact O-CA 3.42Å; C178-G188 PolarHBondContact O-N 3.09Å
189	R	90.1	Very high	86.6	Confident	107 Å²	107	64.9 Å²	64.9	40%	0.404	37%	0.369	S	S	.	.	S	Bend	trans	-85.9	147.2	180	-62.8	-164.5	-175	-131.4	1.9	112.1	S177 C178 E185 Y186 A187 V194	S177-R189 CarbonylContact C-O 3.56Å; S177-R189 WeakPolarHBondContact CA-O 3.4Å; S177-R189 WeakPolarHBondContact CB-O 3.42Å; C178-R189 PolarHBondContact N-O 3.44Å; E185-R189 PolarHBondContact O-NE 3.43Å; Y186-R189 WeakPolarHBondContact O-CB 3.37Å; Y186-R189 PolarHBondContact O-N 3.34Å; A187-R189 PolarHBondContact O-N 3.26Å; R189-V194 HydrophobicContact CB-CG2 4.2Å
190	P	91.2	Very high	86	Confident	39 Å²	39	61.6 Å²	61.6	25%	0.253	36%	0.356	S	S	.	.	B	Isolated β-bridge	trans	-66	140.9	173.7	29.1	-34.5	0	0	0	110.3	V176 I192 Q193 V194	V176-P190 CarbonylContact O-C 3.58Å; V176-P190 WeakPolarHBondContact O-CA 3.07Å; P190-I192 VanDerWaalsContact C-N 3.26Å; P190-I192 HydrophobicContact CB-CG2 4.34Å; P190-I192 PolarHBondContact O-N 3.05Å; P190-Q193 HydrophobicContact CG-CB 3.92Å; P190-Q193 WeakPolarHBondContact O-CB 3.27Å; P190-Q193 PolarHBondContact O-N 3.3Å; P190-Q193 VanDerWaalsContact O-N 3.09Å; P190-V194 PolarHBondContact O-N 2.7Å
191	V	89.3	Confident	85.5	Confident	6 Å²	6	59.5 Å²	59.5	4%	0.036	34%	0.342	C	S	.	.	H	α-helix	trans	-66.2	-31	-171.8	-176.4	0	0	0	0	112.1	L163 V176 Q193 V194 L195	L163-V191 HydrophobicContact CD1-CB 4.12Å; L163-V191 HydrophobicContact CD1-CG1 3.23Å; L163-V191 HydrophobicContact CD1-CG2 4.31Å; V176-V191 HydrophobicContact CG1-CB 4.25Å; V176-V191 HydrophobicContact CG1-CG2 3.79Å; V176-V191 WeakPolarHBondContact O-CG2 3.41Å; V176-V191 PolarHBondContact O-N 3.08Å; V191-Q193 VanDerWaalsContact C-N 3.28Å; V191-Q193 PolarHBondContact O-N 3.14Å; V191-V194 WeakPolarHBondContact O-CB 3.19Å; V191-V194 PolarHBondContact O-N 3.44Å; V191-L195 HydrophobicContact CG1-CD1 4.02Å; V191-L195 HydrophobicContact CG1-CG 4.04Å; V191-L195 WeakPolarHBondContact O-CG 3.48Å; V191-L195 PolarHBondContact O-N 2.82Å
192	I	86.9	Confident	85.1	Confident	63 Å²	63	60.5 Å²	60.5	32%	0.323	35%	0.348	S	S	.	.	H	α-helix	trans	-58	-40.9	174.7	-168.3	63.5	0	0	0	112	V173 P190 V194 L195 D196	V173-I192 HydrophobicContact CG2-CB 4.49Å; P190-I192 VanDerWaalsContact C-N 3.26Å; P190-I192 HydrophobicContact CB-CG2 4.34Å; P190-I192 PolarHBondContact O-N 3.05Å; I192-V194 VanDerWaalsContact C-N 3.31Å; I192-V194 PolarHBondContact O-N 3.27Å; I192-L195 PolarHBondContact O-N 3.06Å; I192-D196 WeakPolarHBondContact O-CB 3.41Å; I192-D196 PolarHBondContact O-N 2.98Å
193	Q	85.6	Confident	84.6	Confident	88 Å²	88	62.6 Å²	62.6	41%	0.411	36%	0.358	S	S	.	.	H	α-helix	trans	-66.6	-36.6	176.6	-175	-178.3	21.8	0	0	111.4	P190 V191 S197	P190-Q193 HydrophobicContact CG-CB 3.92Å; P190-Q193 WeakPolarHBondContact O-CB 3.27Å; P190-Q193 PolarHBondContact O-N 3.3Å; P190-Q193 VanDerWaalsContact O-N 3.09Å; V191-Q193 VanDerWaalsContact C-N 3.28Å; V191-Q193 PolarHBondContact O-N 3.14Å; Q193-S197 VanDerWaalsContact O-CB 3.27Å; Q193-S197 WeakPolarHBondContact O-CB 3.34Å; Q193-S197 PolarHBondContact O-N 3.21Å
194	V	84.9	Confident	83.6	Confident	3 Å²	3	63.9 Å²	63.9	2%	0.018	36%	0.363	C	S	.	.	H	α-helix	trans	-66.6	-44.3	177	-176.6	0	0	0	0	110.3	Y186 R189 P190 V191 I192 D196 S197 I199 F201	Y186-V194 HydrophobicContact CD1-CG1 4.26Å; Y186-V194 HydrophobicContact CD1-CG2 3.94Å; Y186-V194 HydrophobicContact CG-CG1 4.48Å; Y186-V194 HydrophobicContact CG-CG2 4.43Å; R189-V194 HydrophobicContact CB-CG2 4.2Å; P190-V194 PolarHBondContact O-N 2.7Å; V191-V194 WeakPolarHBondContact O-CB 3.19Å; V191-V194 PolarHBondContact O-N 3.44Å; I192-V194 VanDerWaalsContact C-N 3.31Å; I192-V194 PolarHBondContact O-N 3.27Å; V194-D196 PolarHBondContact O-N 2.88Å; V194-S197 PolarHBondContact O-N 3.01Å; V194-S197 PolarHBondContact O-OG 3.07Å; V194-I199 HydrophobicContact CG1-CG2 3.86Å; V194-F201 HydrophobicContact CG1-CE2 3.36Å; V194-F201 HydrophobicContact CG1-CZ 3.44Å; V194-F201 VanDerWaalsContact CG1-CZ 3.44Å
195	L	83.8	Confident	82.5	Confident	33 Å²	33	63.1 Å²	63.1	17%	0.173	35%	0.354	C	S	.	.	H	α-helix	trans	-63.8	-39.9	177.4	-68.4	172.1	0	0	0	112.5	Q160 L163 R164 V191 I192	Q160-L195 HydrophobicContact CG-CD2 3.85Å; L163-L195 HydrophobicContact CB-CD1 4.12Å; R164-L195 HydrophobicContact CG-CD2 4.23Å; V191-L195 HydrophobicContact CG1-CD1 4.02Å; V191-L195 HydrophobicContact CG1-CG 4.04Å; V191-L195 WeakPolarHBondContact O-CG 3.48Å; V191-L195 PolarHBondContact O-N 2.82Å; I192-L195 PolarHBondContact O-N 3.06Å
196	D	84.2	Confident	81.3	Confident	128 Å²	128	62.3 Å²	62.3	68%	0.684	35%	0.35	S	S	*	.	H	α-helix	trans	-79	-19.8	-179.7	-71.2	-16.1	0	0	0	113.5	I192 V194 G198	I192-D196 WeakPolarHBondContact O-CB 3.41Å; I192-D196 PolarHBondContact O-N 2.98Å; V194-D196 PolarHBondContact O-N 2.88Å; D196-G198 PolarHBondContact O-N 2.03Å; D196-G198 VanDerWaalsContact O-N 3.1Å
197	S	80	Confident	80.1	Confident	59 Å²	59	67.8 Å²	67.8	41%	0.413	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-7.8	-179.2	70.4	0	0	0	0	114.5	Q193 V194 I199	Q193-S197 VanDerWaalsContact O-CB 3.27Å; Q193-S197 WeakPolarHBondContact O-CB 3.34Å; Q193-S197 PolarHBondContact O-N 3.21Å; V194-S197 PolarHBondContact O-N 3.01Å; V194-S197 PolarHBondContact O-OG 3.07Å; S197-I199 PolarHBondContact O-N 2.83Å; S197-I199 WeakPolarHBondContact OG-CG2 3.22Å
198	G	74.8	Confident	79	Confident	67 Å²	67	68.6 Å²	68.6	69%	0.691	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	74	5.7	-177.9	0	0	0	0	0	114.2	D196	D196-G198 PolarHBondContact O-N 2.03Å; D196-G198 VanDerWaalsContact O-N 3.1Å
199	I	79.1	Confident	77.8	Confident	39 Å²	39	68.9 Å²	68.9	20%	0.2	37%	0.366	C	S	.	.			trans	-67.5	140.9	173.3	-156.6	74.9	0	0	0	109.8	Q160 Y186 V194 S197 F201	Q160-I199 PolarHBondContact NE2-O 3.3Å; Y186-I199 HydrophobicContact CE2-CB 4.49Å; Y186-I199 HydrophobicContact CE2-CD1 4.11Å; Y186-I199 HydrophobicContact CE2-CG1 3.9Å; Y186-I199 WeakPolarHBondContact OH-CD1 3.39Å; V194-I199 HydrophobicContact CG1-CG2 3.86Å; S197-I199 PolarHBondContact O-N 2.83Å; S197-I199 WeakPolarHBondContact OG-CG2 3.22Å; I199-F201 HydrophobicContact CG1-CE1 4.42Å; I199-F201 HydrophobicContact CG2-CE1 4.35Å; I199-F201 HydrophobicContact CG2-CE2 4.2Å; I199-F201 HydrophobicContact CG2-CZ 4.02Å
200	N	81.8	Confident	77	Confident	58 Å²	58	66.9 Å²	66.9	31%	0.31	36%	0.363	S	S	.	.			trans	-124.1	100.3	174	-173.2	-10.9	0	0	0	109.1	C202 N203	N200-C202 PolarHBondContact O-N 2.8Å; N200-C202 WeakPolarHBondContact OD1-CB 3.22Å; N200-C202 PolarHBondContact OD1-N 2.88Å; N200-N203 PolarHBondContact O-N 2.97Å
201	F	83	Confident	76.5	Confident	12 Å²	12	69.4 Å²	69.4	5%	0.053	38%	0.377	C	S	.	.	H	α-helix	trans	-62.1	-24.6	179	-64.5	-59	0	0	0	112.2	C155 C157 Q160 Q183 Y186 V194 I199 N203 F204	C155-F201 HydrophobicContact CB-CE2 4.34Å; C157-F201 HydrophobicContact CB-CB 4.43Å; Q160-F201 HydrophobicContact CB-CD2 4.2Å; Q183-F201 HydrophobicContact CB-CE1 4.46Å; Y186-F201 AromaticContact CD2-CE1 3.99Å; Y186-F201 HydrophobicContact CD2-CE1 3.99Å; Y186-F201 HydrophobicContact CD2-CZ 4.11Å; Y186-F201 HydrophobicContact CE2-CE1 4.46Å; Y186-F201 HydrophobicContact CG-CZ 4.29Å; V194-F201 HydrophobicContact CG1-CE2 3.36Å; V194-F201 HydrophobicContact CG1-CZ 3.44Å; V194-F201 VanDerWaalsContact CG1-CZ 3.44Å; I199-F201 HydrophobicContact CG1-CE1 4.42Å; I199-F201 HydrophobicContact CG2-CE1 4.35Å; I199-F201 HydrophobicContact CG2-CE2 4.2Å; I199-F201 HydrophobicContact CG2-CZ 4.02Å; F201-N203 VanDerWaalsContact C-N 3.33Å; F201-N203 PolarHBondContact O-N 2.79Å; F201-F204 WeakPolarHBondContact O-CB 3.4Å; F201-F204 PolarHBondContact O-N 3.47Å
202	C	82.1	Confident	76.1	Confident	29 Å²	29	71.8 Å²	71.8	20%	0.196	40%	0.397	C	S	.	.	H	α-helix	trans	-68.9	-29.2	178.9	-53.2	0	0	0	0	113.1	C157 N200 F204 H205	C157-C202 VanDerWaalsContact CA-SG 3.57Å; C157-C202 HydrophobicContact CB-CB 3.91Å; C157-C202 WeakPolarHBondContact CB-SG 3.09Å; C157-C202 WeakPolarHBondContact SG-CA 3.48Å; C157-C202 WeakPolarHBondContact SG-CB 3.39Å; C157-C202 CovalentContact SG-SG 2.04Å; C157-C202 PolarHBondContact SG-SG 2.88Å; N200-C202 PolarHBondContact O-N 2.8Å; N200-C202 WeakPolarHBondContact OD1-CB 3.22Å; N200-C202 PolarHBondContact OD1-N 2.88Å; C202-F204 VanDerWaalsContact C-N 3.28Å; C202-F204 PolarHBondContact O-N 3.43Å; C202-H205 PolarHBondContact O-N 3.29Å
203	N	76.1	Confident	75.8	Confident	104 Å²	104	73.6 Å²	73.6	56%	0.556	41%	0.406	S	S	*	.	H	α-helix	trans	-70.6	-26.4	174.6	-81.6	-10.4	0	0	0	112.5	N200 F201 H206 K207	N200-N203 PolarHBondContact O-N 2.97Å; F201-N203 VanDerWaalsContact C-N 3.33Å; F201-N203 PolarHBondContact O-N 2.79Å; N203-H206 PolarHBondContact O-N 3.22Å; N203-K207 PolarHBondContact O-N 3.31Å; N203-K207 VanDerWaalsContact O-N 3.14Å
204	F	65.5	Low	76	Confident	87 Å²	87	75.9 Å²	75.9	38%	0.382	42%	0.415	S	S	.	.	H	α-helix	trans	-70.1	-37.4	178.6	-177	-96.2	0	0	0	112.1	V182 F201 C202 H206 K207 T208	V182-F204 HydrophobicContact CG1-CD1 3.48Å; V182-F204 VanDerWaalsContact CG1-CD1 3.48Å; V182-F204 HydrophobicContact CG1-CE1 3.5Å; V182-F204 VanDerWaalsContact CG1-CE1 3.5Å; V182-F204 HydrophobicContact CG1-CG 4.45Å; V182-F204 HydrophobicContact CG1-CZ 4.48Å; F201-F204 WeakPolarHBondContact O-CB 3.4Å; F201-F204 PolarHBondContact O-N 3.47Å; C202-F204 VanDerWaalsContact C-N 3.28Å; C202-F204 PolarHBondContact O-N 3.43Å; F204-H206 PolarHBondContact O-N 3.42Å; F204-K207 PolarHBondContact O-N 3.37Å; F204-T208 HydrophobicContact CD1-CG2 4.09Å; F204-T208 HydrophobicContact CE1-CG2 3.49Å; F204-T208 VanDerWaalsContact CE1-CG2 3.49Å; F204-T208 HydrophobicContact CE2-CG2 4.16Å; F204-T208 HydrophobicContact CZ-CG2 3.53Å; F204-T208 PolarHBondContact O-N 2.77Å; F204-T208 PolarHBondContact O-OG1 2.63Å
205	H	60.6	Low	76.4	Confident	125 Å²	125	79.7 Å²	79.7	58%	0.579	44%	0.438	S	S	*	.	H	α-helix	trans	-62.6	-33.7	175.7	-147.2	-66.5	0	0	0	111.6	C202 T208 T209	C202-H205 PolarHBondContact O-N 3.29Å; H205-T208 PolarHBondContact O-OG1 3.01Å; H205-T209 WeakPolarHBondContact O-CB 3.45Å; H205-T209 VanDerWaalsContact O-CG2 3.29Å; H205-T209 WeakPolarHBondContact O-CG2 3.36Å; H205-T209 PolarHBondContact O-N 3.44Å; H205-T209 PolarHBondContact O-OG1 3.39Å
206	H	61.2	Low	76.7	Confident	124 Å²	124	82.3 Å²	82.3	57%	0.574	46%	0.455	S	S	*	.	H	α-helix	trans	-68.9	-45.1	173.1	-124.3	-75.6	0	0	0	112.2	N203 F204 T208 T209 D210	N203-H206 PolarHBondContact O-N 3.22Å; F204-H206 PolarHBondContact O-N 3.42Å; H206-T208 PolarHBondContact O-N 2.62Å; H206-T209 WeakPolarHBondContact CA-OG1 3.42Å; H206-T209 PolarHBondContact O-N 2.95Å; H206-T209 PolarHBondContact O-OG1 3Å; H206-D210 IonicContact ND1-OD2 3.96Å; H206-D210 WeakPolarHBondContact O-CB 3.42Å; H206-D210 VanDerWaalsContact O-CG 3.26Å; H206-D210 PolarHBondContact O-N 3.41Å
207	K	62.1	Low	77.1	Confident	151 Å²	151	80.2 Å²	80.2	66%	0.657	44%	0.442	S	S	*	.	H	α-helix	trans	-63.8	-40.1	179.4	-80	-174.5	176.8	176.4	0	113.5	N203 F204 V211	N203-K207 PolarHBondContact O-N 3.31Å; N203-K207 VanDerWaalsContact O-N 3.14Å; F204-K207 PolarHBondContact O-N 3.37Å; K207-V211 VanDerWaalsContact O-CG2 3.31Å; K207-V211 WeakPolarHBondContact O-CG2 3.49Å; K207-V211 PolarHBondContact O-N 3.42Å; K207-V211 VanDerWaalsContact O-N 3.12Å
208	T	66.4	Low	77.9	Confident	60 Å²	60	85 Å²	85	37%	0.368	46%	0.456	S	S	.	.	H	α-helix	trans	-70.4	-38.5	179.4	44	0	0	0	0	112.2	F204 H205 H206 A212	F204-T208 HydrophobicContact CD1-CG2 4.09Å; F204-T208 HydrophobicContact CE1-CG2 3.49Å; F204-T208 VanDerWaalsContact CE1-CG2 3.49Å; F204-T208 HydrophobicContact CE2-CG2 4.16Å; F204-T208 HydrophobicContact CZ-CG2 3.53Å; F204-T208 PolarHBondContact O-N 2.77Å; F204-T208 PolarHBondContact O-OG1 2.63Å; H205-T208 PolarHBondContact O-OG1 3.01Å; H206-T208 PolarHBondContact O-N 2.62Å; T208-A212 WeakPolarHBondContact O-CB 3.42Å; T208-A212 PolarHBondContact O-N 2.93Å
209	T	65.8	Low	78.8	Confident	65 Å²	65	85.4 Å²	85.4	40%	0.399	45%	0.448	S	S	.	.	H	α-helix	trans	-67.9	-40.4	174.3	49	0	0	0	0	112.2	H205 H206 V211 A212 M213	H205-T209 WeakPolarHBondContact O-CB 3.45Å; H205-T209 VanDerWaalsContact O-CG2 3.29Å; H205-T209 WeakPolarHBondContact O-CG2 3.36Å; H205-T209 PolarHBondContact O-N 3.44Å; H205-T209 PolarHBondContact O-OG1 3.39Å; H206-T209 WeakPolarHBondContact CA-OG1 3.42Å; H206-T209 PolarHBondContact O-N 2.95Å; H206-T209 PolarHBondContact O-OG1 3Å; T209-V211 PolarHBondContact O-N 3.04Å; T209-A212 PolarHBondContact O-N 2.84Å; T209-M213 VanDerWaalsContact O-CB 3.27Å; T209-M213 WeakPolarHBondContact O-CB 3.48Å; T209-M213 PolarHBondContact O-N 3Å
210	D	73.2	Confident	79.7	Confident	65 Å²	65	90.3 Å²	90.3	35%	0.348	46%	0.464	S	S	.	.	H	α-helix	trans	-58.9	-48.6	173.8	-75.4	-23.7	0	0	0	111.3	H206 M213 F214	H206-D210 IonicContact ND1-OD2 3.96Å; H206-D210 WeakPolarHBondContact O-CB 3.42Å; H206-D210 VanDerWaalsContact O-CG 3.26Å; H206-D210 PolarHBondContact O-N 3.41Å; D210-M213 PolarHBondContact O-N 3.16Å; D210-F214 HydrophobicContact CB-CE2 4.31Å; D210-F214 WeakPolarHBondContact O-CD2 3.42Å; D210-F214 WeakPolarHBondContact O-CG 3.4Å; D210-F214 PolarHBondContact O-N 3.32Å
211	V	80.4	Confident	80.4	Confident	92 Å²	92	92.3 Å²	92.3	56%	0.558	47%	0.47	S	S	*	.	H	α-helix	trans	-63.2	-45.5	178.4	173.9	0	0	0	0	111.7	K207 T209 M213 F214 V215	K207-V211 VanDerWaalsContact O-CG2 3.31Å; K207-V211 WeakPolarHBondContact O-CG2 3.49Å; K207-V211 PolarHBondContact O-N 3.42Å; K207-V211 VanDerWaalsContact O-N 3.12Å; T209-V211 PolarHBondContact O-N 3.04Å; V211-M213 VanDerWaalsContact C-N 3.29Å; V211-M213 PolarHBondContact O-N 3.41Å; V211-F214 PolarHBondContact O-N 2.86Å; V211-V215 HydrophobicContact CG1-CG2 4.45Å; V211-V215 WeakPolarHBondContact O-CG2 3.1Å; V211-V215 PolarHBondContact O-N 3.49Å
212	A	80.4	Confident	81.1	Confident	55 Å²	55	94.1 Å²	94.1	46%	0.455	49%	0.487	S	S	.	.	H	α-helix	trans	-62.4	-38	177.8	0	0	0	0	0	112	T208 T209 V215 T216	T208-A212 WeakPolarHBondContact O-CB 3.42Å; T208-A212 PolarHBondContact O-N 2.93Å; T209-A212 PolarHBondContact O-N 2.84Å; A212-V215 PolarHBondContact O-N 2.95Å; A212-T216 WeakPolarHBondContact O-CG2 3.32Å; A212-T216 PolarHBondContact O-N 3.38Å; A212-T216 PolarHBondContact O-OG1 3.07Å
213	M	81.9	Confident	81.8	Confident	101 Å²	101	98.3 Å²	98.3	50%	0.498	51%	0.505	S	S	.	.	H	α-helix	trans	-64.9	-41.9	174.4	-171.5	-177.6	66.8	0	0	111.4	T209 D210 V211 T216 M217	T209-M213 VanDerWaalsContact O-CB 3.27Å; T209-M213 WeakPolarHBondContact O-CB 3.48Å; T209-M213 PolarHBondContact O-N 3Å; D210-M213 PolarHBondContact O-N 3.16Å; V211-M213 VanDerWaalsContact C-N 3.29Å; V211-M213 PolarHBondContact O-N 3.41Å; M213-T216 WeakPolarHBondContact CA-OG1 3.02Å; M213-T216 PolarHBondContact O-N 3.1Å; M213-T216 PolarHBondContact O-OG1 3.01Å; M213-M217 WeakPolarHBondContact O-CB 2.99Å; M213-M217 WeakPolarHBondContact O-CG 3.43Å; M213-M217 PolarHBondContact O-N 3.44Å
214	F	89.4	Confident	82.9	Confident	136 Å²	136	95.8 Å²	95.8	60%	0.596	49%	0.493	S	S	*	.	H	α-helix	trans	-64.4	-41.8	174.9	-72.9	-57.8	0	0	0	112.8	D210 V211 M217 F218	D210-F214 HydrophobicContact CB-CE2 4.31Å; D210-F214 WeakPolarHBondContact O-CD2 3.42Å; D210-F214 WeakPolarHBondContact O-CG 3.4Å; D210-F214 PolarHBondContact O-N 3.32Å; V211-F214 PolarHBondContact O-N 2.86Å; F214-M217 PolarHBondContact O-N 3.01Å; F214-F218 WeakPolarHBondContact O-CB 3.49Å; F214-F218 PolarHBondContact O-N 2.72Å
215	V	92.6	Very high	84.4	Confident	83 Å²	83	96.4 Å²	96.4	50%	0.503	50%	0.5	S	S	.	.	H	α-helix	trans	-62.5	-45.8	176.7	172.5	0	0	0	0	110.6	V211 A212 F218 C219	V211-V215 HydrophobicContact CG1-CG2 4.45Å; V211-V215 WeakPolarHBondContact O-CG2 3.1Å; V211-V215 PolarHBondContact O-N 3.49Å; A212-V215 PolarHBondContact O-N 2.95Å; V215-F218 PolarHBondContact O-N 3.32Å; V215-C219 WeakPolarHBondContact O-CB 3.04Å; V215-C219 PolarHBondContact O-N 3.26Å; V215-C219 PolarHBondContact O-SG 3.24Å
216	T	90.4	Very high	86.1	Confident	88 Å²	88	93.2 Å²	93.2	54%	0.54	50%	0.495	S	S	.	.	H	α-helix	trans	-66.2	-39.6	179.1	52.5	0	0	0	0	112.4	A212 M213 C219 W220	A212-T216 WeakPolarHBondContact O-CG2 3.32Å; A212-T216 PolarHBondContact O-N 3.38Å; A212-T216 PolarHBondContact O-OG1 3.07Å; M213-T216 WeakPolarHBondContact CA-OG1 3.02Å; M213-T216 PolarHBondContact O-N 3.1Å; M213-T216 PolarHBondContact O-OG1 3.01Å; T216-C219 PolarHBondContact O-N 3Å; T216-W220 WeakPolarHBondContact O-CB 3.35Å; T216-W220 PolarHBondContact O-N 3.29Å
217	M	92.1	Very high	87.8	Confident	84 Å²	84	94.4 Å²	94.4	41%	0.414	50%	0.495	S	S	.	.	H	α-helix	trans	-58.6	-47.4	170.5	-78.2	-128.2	82	0	0	111.5	M213 F214 C219 W220 F221	M213-M217 WeakPolarHBondContact O-CB 2.99Å; M213-M217 WeakPolarHBondContact O-CG 3.43Å; M213-M217 PolarHBondContact O-N 3.44Å; F214-M217 PolarHBondContact O-N 3.01Å; M217-C219 PolarHBondContact O-N 3.25Å; M217-W220 HydrophobicContact CE-CE3 4.32Å; M217-W220 PolarHBondContact O-N 3.25Å; M217-F221 HydrophobicContact CB-CD2 4.41Å; M217-F221 HydrophobicContact CB-CE2 4.38Å; M217-F221 HydrophobicContact CE-CD2 4.28Å; M217-F221 HydrophobicContact CE-CE2 3.38Å; M217-F221 HydrophobicContact CE-CZ 3.79Å; M217-F221 WeakPolarHBondContact O-CD2 3.4Å; M217-F221 PolarHBondContact O-N 2.9Å; M217-F221 HydrophobicContact SD-CE2 4.15Å
218	F	96.1	Very high	89.5	Confident	159 Å²	159	90.9 Å²	90.9	70%	0.697	49%	0.486	S	S	*	.	H	α-helix	trans	-63.1	-43.7	-179.8	-166.2	-92.2	0	0	0	111.9	F214 V215 W220 F221 A222	F214-F218 WeakPolarHBondContact O-CB 3.49Å; F214-F218 PolarHBondContact O-N 2.72Å; V215-F218 PolarHBondContact O-N 3.32Å; F218-W220 VanDerWaalsContact C-N 3.34Å; F218-W220 PolarHBondContact O-N 3.44Å; F218-F221 PolarHBondContact O-N 3.36Å; F218-A222 WeakPolarHBondContact O-CB 3.46Å; F218-A222 PolarHBondContact O-N 3.1Å
219	C	95.6	Very high	90.9	Very high	77 Å²	77	92.6 Å²	92.6	52%	0.52	49%	0.492	S	S	.	.	H	α-helix	trans	-61.2	-41.4	174.4	-70	0	0	0	0	112.1	V215 T216 M217 A222 M223	V215-C219 WeakPolarHBondContact O-CB 3.04Å; V215-C219 PolarHBondContact O-N 3.26Å; V215-C219 PolarHBondContact O-SG 3.24Å; T216-C219 PolarHBondContact O-N 3Å; M217-C219 PolarHBondContact O-N 3.25Å; C219-A222 PolarHBondContact O-N 3.06Å; C219-M223 WeakPolarHBondContact O-CB 3.45Å; C219-M223 PolarHBondContact O-N 2.94Å
220	W	97.3	Very high	92.4	Very high	141 Å²	141	96.4 Å²	96.4	53%	0.534	50%	0.5	S	S	.	.	H	α-helix	trans	-66.8	-46	178	-175	68.7	0	0	0	112	T216 M217 F218 A222 M223 V224	T216-W220 WeakPolarHBondContact O-CB 3.35Å; T216-W220 PolarHBondContact O-N 3.29Å; M217-W220 HydrophobicContact CE-CE3 4.32Å; M217-W220 PolarHBondContact O-N 3.25Å; F218-W220 VanDerWaalsContact C-N 3.34Å; F218-W220 PolarHBondContact O-N 3.44Å; W220-A222 VanDerWaalsContact C-N 3.34Å; W220-A222 PolarHBondContact O-N 3.33Å; W220-M223 WeakPolarHBondContact O-CB 3.37Å; W220-M223 PolarHBondContact O-N 2.03Å; W220-V224 HydrophobicContact CD2-CG2 4.25Å; W220-V224 HydrophobicContact CZ2-CG2 4.23Å; W220-V224 WeakPolarHBondContact O-CG2 3.09Å; W220-V224 PolarHBondContact O-N 3.05Å
221	F	97.1	Very high	93.4	Very high	100 Å²	100	99.2 Å²	99.2	44%	0.439	51%	0.507	S	S	.	.	H	α-helix	trans	-60.4	-43.5	174.7	-79.4	-63.5	0	0	0	111.8	M217 F218 M223 V224 I225	M217-F221 HydrophobicContact CB-CD2 4.41Å; M217-F221 HydrophobicContact CB-CE2 4.38Å; M217-F221 HydrophobicContact CE-CD2 4.28Å; M217-F221 HydrophobicContact CE-CE2 3.38Å; M217-F221 HydrophobicContact CE-CZ 3.79Å; M217-F221 WeakPolarHBondContact O-CD2 3.4Å; M217-F221 PolarHBondContact O-N 2.9Å; M217-F221 HydrophobicContact SD-CE2 4.15Å; F218-F221 PolarHBondContact O-N 3.36Å; F221-M223 VanDerWaalsContact C-N 3.33Å; F221-M223 PolarHBondContact O-N 3.07Å; F221-V224 PolarHBondContact O-N 2.72Å; F221-I225 WeakPolarHBondContact O-CB 3.35Å; F221-I225 WeakPolarHBondContact O-CD1 3.4Å; F221-I225 WeakPolarHBondContact O-CG1 3.5Å; F221-I225 PolarHBondContact O-N 2.78Å
222	A	96.9	Very high	94.1	Very high	50 Å²	50	98.1 Å²	98.1	41%	0.413	50%	0.5	S	S	.	.	H	α-helix	trans	-60.4	-42.3	176	0	0	0	0	0	111.9	F218 C219 W220 A226	F218-A222 WeakPolarHBondContact O-CB 3.46Å; F218-A222 PolarHBondContact O-N 3.1Å; C219-A222 PolarHBondContact O-N 3.06Å; W220-A222 VanDerWaalsContact C-N 3.34Å; W220-A222 PolarHBondContact O-N 3.33Å; A222-A226 VanDerWaalsContact O-CB 3.28Å; A222-A226 WeakPolarHBondContact O-CB 3.49Å; A222-A226 PolarHBondContact O-N 2.9Å
223	M	97.3	Very high	94.7	Very high	117 Å²	117	103 Å²	103	58%	0.576	51%	0.507	S	S	*	.	H	α-helix	trans	-62.8	-46.2	175.7	-173.8	-165	77	0	0	111.9	C219 W220 F221 A226 Y227	C219-M223 WeakPolarHBondContact O-CB 3.45Å; C219-M223 PolarHBondContact O-N 2.94Å; W220-M223 WeakPolarHBondContact O-CB 3.37Å; W220-M223 PolarHBondContact O-N 2.03Å; F221-M223 VanDerWaalsContact C-N 3.33Å; F221-M223 PolarHBondContact O-N 3.07Å; M223-A226 PolarHBondContact O-N 2.98Å; M223-Y227 WeakPolarHBondContact O-CB 3.45Å; M223-Y227 PolarHBondContact O-N 3.02Å
224	V	97.8	Very high	95.2	Very high	52 Å²	52	101.3 Å²	101.3	32%	0.315	50%	0.498	S	S	.	.	H	α-helix	trans	-64	-45.2	179	171.7	0	0	0	0	110.9	W220 F221 A226 Y227 V228	W220-V224 HydrophobicContact CD2-CG2 4.25Å; W220-V224 HydrophobicContact CZ2-CG2 4.23Å; W220-V224 WeakPolarHBondContact O-CG2 3.09Å; W220-V224 PolarHBondContact O-N 3.05Å; F221-V224 PolarHBondContact O-N 2.72Å; V224-A226 PolarHBondContact O-N 2.93Å; V224-Y227 PolarHBondContact O-N 2.93Å; V224-V228 HydrophobicContact CG1-CG2 4.49Å; V224-V228 WeakPolarHBondContact O-CG2 3.4Å; V224-V228 PolarHBondContact O-N 2.99Å
225	I	97.2	Very high	95.3	Very high	100 Å²	100	98 Å²	98	51%	0.513	49%	0.486	S	S	.	.	H	α-helix	trans	-61.3	-45.7	177	-68.8	164.8	0	0	0	110.3	F221 Y227 V228 I229	F221-I225 WeakPolarHBondContact O-CB 3.35Å; F221-I225 WeakPolarHBondContact O-CD1 3.4Å; F221-I225 WeakPolarHBondContact O-CG1 3.5Å; F221-I225 PolarHBondContact O-N 2.78Å; I225-Y227 VanDerWaalsContact C-N 3.35Å; I225-Y227 PolarHBondContact O-N 3.12Å; I225-V228 PolarHBondContact O-N 3.16Å; I225-I229 HydrophobicContact CG2-CD1 3.77Å; I225-I229 HydrophobicContact CG2-CG1 4.45Å; I225-I229 VanDerWaalsContact O-CG1 3.28Å; I225-I229 WeakPolarHBondContact O-CG1 3.47Å; I225-I229 PolarHBondContact O-N 2.9Å
226	A	97.3	Very high	95.2	Very high	57 Å²	57	99.6 Å²	99.6	47%	0.471	49%	0.488	S	S	.	.	H	α-helix	trans	-61	-42.7	176.7	0	0	0	0	0	112.1	A222 M223 V224 I229 Y230	A222-A226 VanDerWaalsContact O-CB 3.28Å; A222-A226 WeakPolarHBondContact O-CB 3.49Å; A222-A226 PolarHBondContact O-N 2.9Å; M223-A226 PolarHBondContact O-N 2.98Å; V224-A226 PolarHBondContact O-N 2.93Å; A226-I229 PolarHBondContact O-N 2.9Å; A226-Y230 VanDerWaalsContact O-CB 3.3Å; A226-Y230 WeakPolarHBondContact O-CB 3.31Å; A226-Y230 PolarHBondContact O-N 3.48Å
227	Y	97.2	Very high	95	Very high	149 Å²	149	100.6 Å²	100.6	58%	0.584	49%	0.486	S	S	*	.	H	α-helix	trans	-62.4	-44.4	176.3	178.6	-97.1	0	0	0	112.2	M223 V224 I225 Y230 Y231	M223-Y227 WeakPolarHBondContact O-CB 3.45Å; M223-Y227 PolarHBondContact O-N 3.02Å; V224-Y227 PolarHBondContact O-N 2.93Å; I225-Y227 VanDerWaalsContact C-N 3.35Å; I225-Y227 PolarHBondContact O-N 3.12Å; Y227-Y230 PolarHBondContact O-N 2.94Å; Y227-Y231 VanDerWaalsContact O-CB 3.3Å; Y227-Y231 WeakPolarHBondContact O-CB 3.28Å; Y227-Y231 PolarHBondContact O-N 3.29Å
228	V	97.1	Very high	94.6	Very high	77 Å²	77	98.9 Å²	98.9	47%	0.467	48%	0.479	S	S	.	.	H	α-helix	trans	-63.7	-45.1	177.1	171.7	0	0	0	0	110.9	V224 I225 Y230 Y231 V232	V224-V228 HydrophobicContact CG1-CG2 4.49Å; V224-V228 WeakPolarHBondContact O-CG2 3.4Å; V224-V228 PolarHBondContact O-N 2.99Å; I225-V228 PolarHBondContact O-N 3.16Å; V228-Y230 VanDerWaalsContact C-N 3.35Å; V228-Y230 PolarHBondContact O-N 3.03Å; V228-Y231 PolarHBondContact O-N 3.23Å; V228-V232 HydrophobicContact CG1-CG2 4.4Å; V228-V232 WeakPolarHBondContact O-CB 3.17Å; V228-V232 VanDerWaalsContact O-CG2 3.3Å; V228-V232 WeakPolarHBondContact O-CG2 3.35Å; V228-V232 PolarHBondContact O-N 3.13Å
229	I	96.2	Very high	94	Very high	96 Å²	96	94.1 Å²	94.1	49%	0.492	47%	0.469	S	S	.	.	H	α-helix	trans	-60.2	-47.3	176.3	-68.5	168.2	0	0	0	110.2	I225 A226 Y231 V232 R233	I225-I229 HydrophobicContact CG2-CD1 3.77Å; I225-I229 HydrophobicContact CG2-CG1 4.45Å; I225-I229 VanDerWaalsContact O-CG1 3.28Å; I225-I229 WeakPolarHBondContact O-CG1 3.47Å; I225-I229 PolarHBondContact O-N 2.9Å; A226-I229 PolarHBondContact O-N 2.9Å; I229-Y231 PolarHBondContact O-N 2.86Å; I229-V232 PolarHBondContact O-N 3.06Å; I229-R233 HydrophobicContact CG2-CG 4.23Å; I229-R233 WeakPolarHBondContact O-CB 3.42Å; I229-R233 WeakPolarHBondContact O-CG 3.41Å; I229-R233 PolarHBondContact O-N 3.17Å
230	Y	96.5	Very high	93.5	Very high	146 Å²	146	98.6 Å²	98.6	57%	0.573	48%	0.475	S	S	*	.	H	α-helix	trans	-56.8	-50.5	176.4	170.4	-95.9	0	0	0	111.4	A226 Y227 V228 V232 R233 H234	A226-Y230 VanDerWaalsContact O-CB 3.3Å; A226-Y230 WeakPolarHBondContact O-CB 3.31Å; A226-Y230 PolarHBondContact O-N 3.48Å; Y227-Y230 PolarHBondContact O-N 2.94Å; V228-Y230 VanDerWaalsContact C-N 3.35Å; V228-Y230 PolarHBondContact O-N 3.03Å; Y230-V232 PolarHBondContact O-N 3.21Å; Y230-R233 PolarHBondContact O-N 2.72Å; Y230-H234 VanDerWaalsContact O-CB 3.27Å; Y230-H234 WeakPolarHBondContact O-CB 3.47Å; Y230-H234 PolarHBondContact O-N 2.81Å
231	Y	95.4	Very high	92.7	Very high	124 Å²	124	98.7 Å²	98.7	49%	0.486	48%	0.475	S	S	.	.	H	α-helix	trans	-61.3	-42.7	-178.9	-176.9	-99.2	0	0	0	112.4	Y227 V228 I229 N235	Y227-Y231 VanDerWaalsContact O-CB 3.3Å; Y227-Y231 WeakPolarHBondContact O-CB 3.28Å; Y227-Y231 PolarHBondContact O-N 3.29Å; V228-Y231 PolarHBondContact O-N 3.23Å; I229-Y231 PolarHBondContact O-N 2.86Å; Y231-N235 WeakPolarHBondContact CD1-ND2 3.28Å; Y231-N235 WeakPolarHBondContact CE1-ND2 3.45Å; Y231-N235 WeakPolarHBondContact O-CB 3.38Å; Y231-N235 PolarHBondContact O-N 3.03Å; Y231-N235 PolarHBondContact O-ND2 3.03Å; Y231-N235 PolarHBondContact OH-ND2 3.27Å
232	V	95.3	Very high	91.9	Very high	69 Å²	69	100.2 Å²	100.2	42%	0.418	48%	0.484	S	S	.	.	H	α-helix	trans	-65.4	-46	176.5	171.7	0	0	0	0	110.9	V228 I229 Y230 H234 N235 Q236	V228-V232 HydrophobicContact CG1-CG2 4.4Å; V228-V232 WeakPolarHBondContact O-CB 3.17Å; V228-V232 VanDerWaalsContact O-CG2 3.3Å; V228-V232 WeakPolarHBondContact O-CG2 3.35Å; V228-V232 PolarHBondContact O-N 3.13Å; I229-V232 PolarHBondContact O-N 3.06Å; Y230-V232 PolarHBondContact O-N 3.21Å; V232-H234 VanDerWaalsContact C-N 3.35Å; V232-H234 PolarHBondContact O-N 3.16Å; V232-N235 PolarHBondContact O-N 3.01Å; V232-Q236 HydrophobicContact CG1-CG 4.44Å; V232-Q236 WeakPolarHBondContact O-CB 3.46Å; V232-Q236 VanDerWaalsContact O-CG 3.3Å; V232-Q236 WeakPolarHBondContact O-CG 3.44Å; V232-Q236 PolarHBondContact O-N 3.11Å
233	R	92.9	Very high	90.9	Very high	156 Å²	156	103.4 Å²	103.4	59%	0.589	49%	0.491	S	S	*	.	H	α-helix	trans	-60.2	-46	177.8	-72.3	-72.7	-173.9	158.7	1.4	111.3	I229 Y230 Q236 E237	I229-R233 HydrophobicContact CG2-CG 4.23Å; I229-R233 WeakPolarHBondContact O-CB 3.42Å; I229-R233 WeakPolarHBondContact O-CG 3.41Å; I229-R233 PolarHBondContact O-N 3.17Å; Y230-R233 PolarHBondContact O-N 2.72Å; R233-Q236 PolarHBondContact O-N 3.18Å; R233-E237 WeakPolarHBondContact O-CG 3.45Å; R233-E237 PolarHBondContact O-N 3.49Å
234	H	92	Very high	90	Very high	67 Å²	67	103 Å²	103	31%	0.31	49%	0.488	S	S	.	.	H	α-helix	trans	-60.7	-48.3	178.8	-172.5	61.9	0	0	0	112	Y230 V232 Q236 E237 D238	Y230-H234 VanDerWaalsContact O-CB 3.27Å; Y230-H234 WeakPolarHBondContact O-CB 3.47Å; Y230-H234 PolarHBondContact O-N 2.81Å; V232-H234 VanDerWaalsContact C-N 3.35Å; V232-H234 PolarHBondContact O-N 3.16Å; H234-Q236 VanDerWaalsContact C-N 3.33Å; H234-Q236 PolarHBondContact O-N 2.6Å; H234-E237 PolarHBondContact O-N 3.07Å; H234-D238 IonicContact NE2-OD2 3.89Å; H234-D238 PolarHBondContact O-N 3.16Å
235	N	90.5	Very high	89	Confident	65 Å²	65	108.2 Å²	108.2	35%	0.348	50%	0.503	S	S	.	.	H	α-helix	trans	-65.2	-34.5	177	-80.4	-34.8	0	0	0	113.2	Y231 V232 A239	Y231-N235 WeakPolarHBondContact CD1-ND2 3.28Å; Y231-N235 WeakPolarHBondContact CE1-ND2 3.45Å; Y231-N235 WeakPolarHBondContact O-CB 3.38Å; Y231-N235 PolarHBondContact O-N 3.03Å; Y231-N235 PolarHBondContact O-ND2 3.03Å; Y231-N235 PolarHBondContact OH-ND2 3.27Å; V232-N235 PolarHBondContact O-N 3.01Å; N235-A239 WeakPolarHBondContact O-CB 3.42Å; N235-A239 PolarHBondContact O-N 3.14Å
236	Q	90.1	Very high	87.9	Confident	117 Å²	117	109.2 Å²	109.2	55%	0.547	51%	0.509	S	S	.	.	H	α-helix	trans	-66.2	-40.1	174.2	-77.1	-179.7	-18.1	0	0	111.9	V232 R233 H234 R240	V232-Q236 HydrophobicContact CG1-CG 4.44Å; V232-Q236 WeakPolarHBondContact O-CB 3.46Å; V232-Q236 VanDerWaalsContact O-CG 3.3Å; V232-Q236 WeakPolarHBondContact O-CG 3.44Å; V232-Q236 PolarHBondContact O-N 3.11Å; R233-Q236 PolarHBondContact O-N 3.18Å; H234-Q236 VanDerWaalsContact C-N 3.33Å; H234-Q236 PolarHBondContact O-N 2.6Å; Q236-R240 WeakPolarHBondContact O-CB 3.46Å; Q236-R240 PolarHBondContact O-N 2.83Å
237	E	87.3	Confident	86.7	Confident	109 Å²	109	114.7 Å²	114.7	51%	0.509	52%	0.522	S	S	.	.	H	α-helix	trans	-64.7	-41.7	175.6	-74.5	170.9	-170.3	0	0	111.7	R233 H234 R240 R241	R233-E237 WeakPolarHBondContact O-CG 3.45Å; R233-E237 PolarHBondContact O-N 3.49Å; H234-E237 PolarHBondContact O-N 3.07Å; E237-R240 PolarHBondContact O-N 3.22Å; E237-R241 WeakPolarHBondContact O-CG 3.41Å; E237-R241 PolarHBondContact O-N 3.19Å
238	D	82.6	Confident	85.6	Confident	48 Å²	48	111.8 Å²	111.8	26%	0.257	52%	0.524	S	S	.	.	H	α-helix	trans	-62.5	-50.2	174.2	-79	-1.8	0	0	0	111.6	H234 R240 R241 H242	H234-D238 IonicContact NE2-OD2 3.89Å; H234-D238 PolarHBondContact O-N 3.16Å; D238-R240 PolarHBondContact O-N 3.31Å; D238-R241 PolarHBondContact O-N 2.95Å; D238-R241 VanDerWaalsContact O-N 3.14Å; D238-R241 IonicContact OD1-CZ 3.98Å; D238-R241 IonicContact OD1-NE 2.61Å; D238-R241 IonicContact OD1-NH2 3.37Å; D238-R241 PolarHBondContact OD1-NH2 3.26Å; D238-H242 PolarHBondContact O-CD2 3.22Å; D238-H242 PolarHBondContact O-N 3.35Å
239	A	83.8	Confident	84.4	Confident	59 Å²	59	112.3 Å²	112.3	49%	0.488	52%	0.523	S	S	.	.	H	α-helix	trans	-57.8	-37.5	176.8	0	0	0	0	0	112.4	N235 M243	N235-A239 WeakPolarHBondContact O-CB 3.42Å; N235-A239 PolarHBondContact O-N 3.14Å; A239-M243 PolarHBondContact O-N 3.26Å; A239-M243 VanDerWaalsContact O-N 3.13Å
240	R	84.9	Confident	82.8	Confident	171 Å²	171	113.2 Å²	113.2	65%	0.645	54%	0.535	S	S	*	.	H	α-helix	trans	-64.8	-47.5	176.1	-169	-179.1	-165	151	6.1	111.9	Q236 E237 D238 H242 M243 E244	Q236-R240 WeakPolarHBondContact O-CB 3.46Å; Q236-R240 PolarHBondContact O-N 2.83Å; E237-R240 PolarHBondContact O-N 3.22Å; D238-R240 PolarHBondContact O-N 3.31Å; R240-H242 VanDerWaalsContact C-N 3.32Å; R240-H242 PolarHBondContact O-N 3.41Å; R240-M243 PolarHBondContact O-N 3.02Å; R240-E244 IonicContact NE-OE1 3.59Å; R240-E244 PolarHBondContact O-N 3.23Å; R240-E244 VanDerWaalsContact O-N 3.09Å
241	R	81.3	Confident	80.7	Confident	144 Å²	144	109.9 Å²	109.9	54%	0.543	53%	0.533	S	S	.	.	H	α-helix	trans	-60.3	-41.4	177.3	-74.4	-170.3	-77.2	172.5	-9.9	112	E237 D238 M243 E244 Y245	E237-R241 WeakPolarHBondContact O-CG 3.41Å; E237-R241 PolarHBondContact O-N 3.19Å; D238-R241 PolarHBondContact O-N 2.95Å; D238-R241 VanDerWaalsContact O-N 3.14Å; D238-R241 IonicContact OD1-CZ 3.98Å; D238-R241 IonicContact OD1-NE 2.61Å; D238-R241 IonicContact OD1-NH2 3.37Å; D238-R241 PolarHBondContact OD1-NH2 3.26Å; R241-M243 PolarHBondContact O-N 2.9Å; R241-E244 PolarHBondContact O-N 3.32Å; R241-Y245 PolarHBondContact O-N 2.82Å
242	H	80.5	Confident	78.7	Confident	132 Å²	132	108.6 Å²	108.6	61%	0.611	54%	0.542	S	S	*	.	H	α-helix	trans	-63.5	-39.7	176.8	-82.1	-108.8	0	0	0	112.7	D238 R240 Y245 L246	D238-H242 PolarHBondContact O-CD2 3.22Å; D238-H242 PolarHBondContact O-N 3.35Å; R240-H242 VanDerWaalsContact C-N 3.32Å; R240-H242 PolarHBondContact O-N 3.41Å; H242-Y245 PolarHBondContact O-N 2.78Å; H242-L246 WeakPolarHBondContact O-CG 3.4Å; H242-L246 PolarHBondContact O-N 3.47Å
243	M	76	Confident	76.5	Confident	117 Å²	117	108.8 Å²	108.8	58%	0.576	55%	0.547	S	S	*	.	H	α-helix	trans	-65.4	-37.6	173.8	-90.7	-158	-73.4	0	0	113	A239 R240 R241 L246 K247	A239-M243 PolarHBondContact O-N 3.26Å; A239-M243 VanDerWaalsContact O-N 3.13Å; R240-M243 PolarHBondContact O-N 3.02Å; R241-M243 PolarHBondContact O-N 2.9Å; M243-L246 PolarHBondContact O-N 3.04Å; M243-K247 WeakPolarHBondContact O-CG 3.34Å; M243-K247 PolarHBondContact O-N 2.87Å; M243-K247 VanDerWaalsContact O-N 3.07Å
244	E	78.4	Confident	74.4	Confident	109 Å²	109	108.4 Å²	108.4	51%	0.509	55%	0.552	S	S	.	*	H	α-helix	trans	-66.8	-38.3	176.6	-73.2	172.8	-175.4	0	0	111.7	R240 R241 K247 S248	R240-E244 IonicContact NE-OE1 3.59Å; R240-E244 PolarHBondContact O-N 3.23Å; R240-E244 VanDerWaalsContact O-N 3.09Å; R241-E244 PolarHBondContact O-N 3.32Å; E244-K247 PolarHBondContact O-N 3.36Å; E244-S248 PolarHBondContact O-N 2.93Å; E244-S248 VanDerWaalsContact O-N 3.13Å
245	Y	76.3	Confident	72.1	Confident	161 Å²	161	110.2 Å²	110.2	63%	0.631	57%	0.568	S	S	*	*	H	α-helix	trans	-63.3	-40.8	172.1	-168.9	-89	0	0	0	112.5	R241 H242 K247 S248 L249	R241-Y245 PolarHBondContact O-N 2.82Å; H242-Y245 PolarHBondContact O-N 2.78Å; Y245-K247 VanDerWaalsContact C-N 3.27Å; Y245-K247 PolarHBondContact O-N 2.88Å; Y245-S248 PolarHBondContact O-N 2.92Å; Y245-S248 PolarHBondContact O-OG 3.26Å; Y245-L249 HydrophobicContact CD1-CD1 4.05Å; Y245-L249 HydrophobicContact CE1-CD1 4.04Å; Y245-L249 HydrophobicContact CE1-CG 4.46Å; Y245-L249 PolarHBondContact O-N 3.36Å
246	L	73.9	Confident	69.7	Low	120 Å²	120	110.6 Å²	110.6	63%	0.628	58%	0.575	S	S	*	*	H	α-helix	trans	-65	-30.3	175	-72.6	170	0	0	0	113.1	H242 M243 L249	H242-L246 WeakPolarHBondContact O-CG 3.4Å; H242-L246 PolarHBondContact O-N 3.47Å; M243-L246 PolarHBondContact O-N 3.04Å; L246-L249 HydrophobicContact CD2-CD1 3.95Å
247	K	73.5	Confident	67.3	Low	173 Å²	173	112.7 Å²	112.7	75%	0.752	58%	0.583	S	S	*	*	H	α-helix	trans	-76.7	-26.4	175.1	-74.4	177.3	-178.7	176.7	0	113.7	M243 E244 Y245	M243-K247 WeakPolarHBondContact O-CG 3.34Å; M243-K247 PolarHBondContact O-N 2.87Å; M243-K247 VanDerWaalsContact O-N 3.07Å; E244-K247 PolarHBondContact O-N 3.36Å; Y245-K247 VanDerWaalsContact C-N 3.27Å; Y245-K247 PolarHBondContact O-N 2.88Å
248	S	73.6	Confident	65.3	Low	88 Å²	88	114 Å²	114	62%	0.615	59%	0.593	S	S	*	*	H	α-helix	trans	-84.7	-12	178.4	64	0	0	0	0	113.3	E244 Y245	E244-S248 PolarHBondContact O-N 2.93Å; E244-S248 VanDerWaalsContact O-N 3.13Å; Y245-S248 PolarHBondContact O-N 2.92Å; Y245-S248 PolarHBondContact O-OG 3.26Å
249	L	72	Confident	63.6	Low	88 Å²	88	120.2 Å²	120.2	46%	0.461	62%	0.618	S	S	.	*	S	Bend	trans	-63.2	137.1	171.1	-85.8	150.2	0	0	0	110.4	Y245 L246 S251	Y245-L249 HydrophobicContact CD1-CD1 4.05Å; Y245-L249 HydrophobicContact CE1-CD1 4.04Å; Y245-L249 HydrophobicContact CE1-CG 4.46Å; Y245-L249 PolarHBondContact O-N 3.36Å; L246-L249 HydrophobicContact CD2-CD1 3.95Å; L249-S251 PolarHBondContact O-N 3.12Å
250	P	61.6	Low	61.8	Low	115 Å²	115	124.2 Å²	124.2	75%	0.747	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-60.6	125.5	-177.8	-14.7	26.5	0	0	0	110.2	S252	P250-S252 PolarHBondContact O-N 3.49Å
251	S	52.8	Low	60.2	Low	75 Å²	75	122.3 Å²	122.3	52%	0.524	64%	0.639	S	S	.	*	P	Polyproline II helix	trans	-59.9	125.8	169.5	171.1	0	0	0	0	109.5	L249 S253 Q254	L249-S251 PolarHBondContact O-N 3.12Å; S251-S253 PolarHBondContact O-N 3.1Å; S251-S253 WeakPolarHBondContact OG-CB 3.4Å; S251-S253 PolarHBondContact OG-N 3.24Å; S251-S253 PolarHBondContact OG-OG 3.35Å; S251-Q254 PolarHBondContact O-N 3.44Å
252	S	54.4	Low	58.8	Low	97 Å²	97	119.2 Å²	119.2	68%	0.678	65%	0.645	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.5	0.4	173.9	65.3	0	0	0	0	114	P250 Q254 T255	P250-S252 PolarHBondContact O-N 3.49Å; S252-Q254 VanDerWaalsContact C-N 3.26Å; S252-Q254 PolarHBondContact O-N 2.89Å; S252-T255 PolarHBondContact O-N 2.93Å; S252-T255 PolarHBondContact O-OG1 3.31Å
253	S	48.7	Very low	57.4	Low	73 Å²	73	118.5 Å²	118.5	51%	0.51	65%	0.654	S	S	.	*	T	Hydrogen-bonded Turn	trans	-74.7	-6.5	171.8	69.2	0	0	0	0	114.8	S251	S251-S253 PolarHBondContact O-N 3.1Å; S251-S253 WeakPolarHBondContact OG-CB 3.4Å; S251-S253 PolarHBondContact OG-N 3.24Å; S251-S253 PolarHBondContact OG-OG 3.35Å
254	Q	47.5	Very low	56.1	Low	149 Å²	149	119.7 Å²	119.7	70%	0.696	67%	0.668	S	S	*	*	S	Bend	trans	-90.4	-26.9	169.8	-85.6	176.3	-14.3	0	0	113.2	S251 S252 S256 K257	S251-Q254 PolarHBondContact O-N 3.44Å; S252-Q254 VanDerWaalsContact C-N 3.26Å; S252-Q254 PolarHBondContact O-N 2.89Å; Q254-S256 VanDerWaalsContact C-N 3.25Å; Q254-S256 PolarHBondContact O-N 3.32Å; Q254-K257 PolarHBondContact O-N 3.36Å
255	T	45	Very low	54.6	Low	105 Å²	105	120.9 Å²	120.9	64%	0.644	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.3	-12.9	177	35.1	0	0	0	0	114.5	S252	S252-T255 PolarHBondContact O-N 2.93Å; S252-T255 PolarHBondContact O-OG1 3.31Å
256	S	40.4	Very low	52.7	Low	73 Å²	73	124.9 Å²	124.9	51%	0.51	71%	0.714	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.3	-8.8	175.3	78.8	0	0	0	0	114.2	Q254	Q254-S256 VanDerWaalsContact C-N 3.25Å; Q254-S256 PolarHBondContact O-N 3.32Å
257	K	39.1	Very low	51.7	Low	160 Å²	160	125.2 Å²	125.2	70%	0.696	72%	0.718	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.1	-19	-179.8	-102.4	179.1	176.1	174.6	0	114.2	Q254	Q254-K257 PolarHBondContact O-N 3.36Å
258	D	44.3	Very low	50.5	Low	138 Å²	138	122.6 Å²	122.6	74%	0.738	72%	0.716	S	S	*	*	S	Bend	trans	-90.1	-5.3	178.6	-67.3	-28.2	0	0	0	113.6
259	F	48.3	Very low	49.2	Very low	177 Å²	177	124.6 Å²	124.6	78%	0.776	72%	0.722	S	S	*	*	S	Bend	trans	-89.3	-17.3	174.1	-98.9	-85.3	0	0	0	114.2	T261	F259-T261 VanDerWaalsContact C-N 3.34Å; F259-T261 PolarHBondContact O-N 3.39Å
260	D	46.1	Very low	47.9	Very low	143 Å²	143	126.7 Å²	126.7	77%	0.765	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.1	2.1	-176.6	-74.4	-25.7	0	0	0	114.4
261	T	51.1	Low	47	Very low	131 Å²	131	127.4 Å²	127.4	80%	0.804	74%	0.737	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.2	10.4	179.7	-39.7	0	0	0	0	113.8	F259	F259-T261 VanDerWaalsContact C-N 3.34Å; F259-T261 PolarHBondContact O-N 3.39Å
262	A	50.3	Low	46.7	Very low	80 Å²	80	130.9 Å²	130.9	66%	0.661	75%	0.751	S	S	*	*	S	Bend	trans	-130.3	53.7	-178.3	0	0	0	0	0	113.1
263	S	51.4	Low	46.1	Very low	116 Å²	116	133.4 Å²	133.4	81%	0.811	76%	0.756	S	S	*	*			trans	-160.1	67.9	161.7	-80.4	0	0	0	0	111.4
264	T	50	Low	45.9	Very low	143 Å²	143	138 Å²	138	88%	0.877	78%	0.775	S	S	*	*			trans	-149	75.4	154.8	-45	0	0	0	0	108.7
265	V	45.8	Very low	45.8	Very low	133 Å²	133	137.1 Å²	137.1	81%	0.806	78%	0.781	S	S	*	*			trans	-139.8	129.2	158.1	-179	0	0	0	0	107.1
266	L	37.3	Very low	45.8	Very low	246 Å²	246	140 Å²	140	100%	1.288	79%	0.794	S	S	*	*			trans	85.4	0	-176.5	-70.5	147.7	0	0	0	116.4

Retrieved 266 of 266 residues in 133.5 ms (Link to these results)

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