A0A087Y5C5_POEFO Loading...

Tissue factor pathway inhibitor

AlphaFold DB , UniProt , Accession A0A087Y5C5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 227 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	48	Very low	46.3	Very low	238 Å²	238	160.5 Å²	160.5	100%	1.172	82%	0.819	S	S	*	*				0	81.1	0	-71.8	-167.1	-67.2	0	0	107.9
2	E	50.3	Low	46.4	Very low	179 Å²	179	161.9 Å²	161.9	84%	0.836	82%	0.816	S	S	*	*			trans	-168.1	40.3	177.4	-125.9	-174.4	-167.3	0	0	114.5
3	F	44.7	Very low	46.4	Very low	216 Å²	216	156.6 Å²	156.6	95%	0.947	81%	0.812	S	S	*	*			trans	-141.6	42.5	177.4	-73.6	-74.4	0	0	0	113.2
4	A	47	Very low	46.4	Very low	90 Å²	90	151.9 Å²	151.9	74%	0.744	80%	0.799	S	S	*	*	S	Bend	trans	-137.6	28.1	-179	0	0	0	0	0	114.4
5	L	49.3	Very low	46.3	Very low	151 Å²	151	152.7 Å²	152.7	79%	0.791	79%	0.794	S	S	*	*	S	Bend	trans	-122.4	-2.2	179.2	-82.5	167.4	0	0	0	115.6
6	F	47.3	Very low	46.5	Very low	202 Å²	202	149 Å²	149	89%	0.886	79%	0.785	S	S	*	*	S	Bend	trans	-107.1	13	-177.5	-72.5	-72.7	0	0	0	115.5
7	A	46.3	Very low	46.5	Very low	75 Å²	75	147 Å²	147	62%	0.62	79%	0.786	S	S	*	*	S	Bend	trans	-108.2	9.5	178	0	0	0	0	0	114.6
8	F	44.3	Very low	46.4	Very low	165 Å²	165	143.1 Å²	143.1	72%	0.724	77%	0.773	S	S	*	*	S	Bend	trans	-108.1	-4	179.5	-91.9	-79.7	0	0	0	114.9
9	F	46.2	Very low	46.1	Very low	197 Å²	197	142.2 Å²	142.2	86%	0.864	77%	0.767	S	S	*	*	S	Bend	trans	-99.1	6.4	-174.2	-102.8	-81.2	0	0	0	116
10	T	45.6	Very low	45.8	Very low	121 Å²	121	138.5 Å²	138.5	74%	0.742	76%	0.756	S	S	*	*	S	Bend	trans	-119.8	3.8	179.6	53.5	0	0	0	0	115.1
11	L	40.2	Very low	45.4	Very low	131 Å²	131	138.9 Å²	138.9	69%	0.686	76%	0.757	S	S	*	*	S	Bend	trans	-102.3	-2.5	-179.1	-101	149.2	0	0	0	115.3
12	F	48.1	Very low	45.2	Very low	178 Å²	178	131.9 Å²	131.9	78%	0.781	73%	0.731	S	S	*	*	S	Bend	trans	-102.2	4.8	179.1	-82.9	-77	0	0	0	115.3
13	A	46.1	Very low	45	Very low	93 Å²	93	133.4 Å²	133.4	77%	0.769	73%	0.729	S	S	*	*	S	Bend	trans	-97.7	10.9	-179.3	0	0	0	0	0	114.7
14	S	46.2	Very low	45.4	Very low	90 Å²	90	127.5 Å²	127.5	63%	0.629	71%	0.708	S	S	*	*	S	Bend	trans	-124.6	0.3	-177.4	57.4	0	0	0	0	115.6
15	F	44.4	Very low	46.1	Very low	165 Å²	165	129.4 Å²	129.4	72%	0.724	70%	0.699	S	S	*	*	S	Bend	trans	-98	8.2	179.4	-128.8	-94.6	0	0	0	115.1
16	S	50	Low	47.6	Very low	93 Å²	93	124 Å²	124	65%	0.65	68%	0.68	S	S	*	*	S	Bend	trans	-86.2	-6.8	-175.6	-39.4	0	0	0	0	114.6
17	S	47.3	Very low	49.8	Very low	115 Å²	115	114.8 Å²	114.8	80%	0.804	64%	0.641	S	S	*	*	S	Bend	trans	-97.2	-0.4	-167.4	-60.6	0	0	0	0	115.7
18	S	43.9	Very low	52	Low	77 Å²	77	111.2 Å²	111.2	54%	0.538	61%	0.611	S	S	.	*	S	Bend	trans	-104.9	-15.5	179.8	52.5	0	0	0	0	114.9
19	L	40.6	Very low	54.3	Low	126 Å²	126	104.4 Å²	104.4	66%	0.66	58%	0.582	S	S	*	*	S	Bend	trans	-83.1	-23	177.8	-93.5	81	0	0	0	114.5	L21 S22 R23	L19-L21 PolarHBondContact O-N 3.35Å; L19-S22 PolarHBondContact O-N 3.44Å; L19-R23 PolarHBondContact O-N 3.31Å
20	A	40.4	Very low	56.5	Low	67 Å²	67	98.3 Å²	98.3	55%	0.554	56%	0.559	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-22.1	-173.9	0	0	0	0	0	113.7
21	L	38.2	Very low	58.8	Low	148 Å²	148	97.3 Å²	97.3	78%	0.775	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.2	-21.1	-177.1	-137.7	77.2	0	0	0	114	L19	L19-L21 PolarHBondContact O-N 3.35Å
22	S	42.6	Very low	61.4	Low	90 Å²	90	93.8 Å²	93.8	63%	0.629	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-30.5	177.9	-166.6	0	0	0	0	112.3	L19 N24 K25	L19-S22 PolarHBondContact O-N 3.44Å; S22-N24 VanDerWaalsContact C-N 3.27Å; S22-N24 PolarHBondContact O-N 3.19Å; S22-K25 PolarHBondContact O-N 3.22Å
23	R	45.9	Very low	63.7	Low	211 Å²	211	89 Å²	89	80%	0.796	52%	0.518	S	S	*	.	H	α-helix	trans	-61.1	-28.1	-178.7	-173.2	169	152.2	-179.8	-5.9	114.3	L19	L19-R23 PolarHBondContact O-N 3.31Å
24	N	53.6	Low	66.1	Low	93 Å²	93	88.8 Å²	88.8	50%	0.497	50%	0.504	S	S	.	.	H	α-helix	trans	-78.6	-22.2	-177.8	-83.8	-22.6	0	0	0	115.1	S22 T77	S22-N24 VanDerWaalsContact C-N 3.27Å; S22-N24 PolarHBondContact O-N 3.19Å; N24-T77 HydrophobicContact CB-CG2 4.19Å
25	K	61.8	Low	68.5	Low	130 Å²	130	85.7 Å²	85.7	57%	0.565	49%	0.487	S	S	*	.	H	α-helix	trans	-74.6	-37.8	176	-69.6	-175.1	-179.9	-178.8	0	111.8	S22 A27 C28	S22-K25 PolarHBondContact O-N 3.22Å; K25-A27 VanDerWaalsContact C-N 3.29Å; K25-A27 PolarHBondContact O-N 3.09Å; K25-C28 PolarHBondContact O-N 3.13Å
26	G	81.1	Confident	71.1	Confident	38 Å²	38	81.9 Å²	81.9	39%	0.392	48%	0.478	S	S	.	.	H	α-helix	trans	-62.4	-37.6	179.3	0	0	0	0	0	112.2	C28 L29 L30	G26-C28 VanDerWaalsContact C-N 3.32Å; G26-C28 PolarHBondContact O-N 3.11Å; G26-L29 PolarHBondContact O-N 2.93Å; G26-L30 PolarHBondContact O-N 3.44Å
27	A	92.1	Very high	73.3	Confident	7 Å²	7	80.2 Å²	80.2	6%	0.058	47%	0.466	C	S	.	.	H	α-helix	trans	-51.4	-48.9	178.9	0	0	0	0	0	112.7	K25 L29 L30 A65 N66	K25-A27 VanDerWaalsContact C-N 3.29Å; K25-A27 PolarHBondContact O-N 3.09Å; A27-L29 PolarHBondContact O-N 2.61Å; A27-L29 VanDerWaalsContact O-N 3.12Å; A27-L30 WeakPolarHBondContact O-CB 3.2Å; A27-L30 PolarHBondContact O-N 2.02Å; A27-L30 VanDerWaalsContact O-N 3.15Å; A27-A65 HydrophobicContact CB-CB 3.58Å; A27-N66 WeakPolarHBondContact O-CB 3.2Å
28	C	93.8	Very high	75.7	Confident	0 Å²	0	86.7 Å²	86.7	0%	0	47%	0.473	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-13.4	-178.4	-55.6	0	0	0	0	114.5	K25 G26 Y46 I48 C78 I81	K25-C28 PolarHBondContact O-N 3.13Å; G26-C28 VanDerWaalsContact C-N 3.32Å; G26-C28 PolarHBondContact O-N 3.11Å; C28-Y46 HydrophobicContact CB-CD1 4.18Å; C28-Y46 HydrophobicContact CB-CG 4.27Å; C28-Y46 WeakPolarHBondContact O-CD1 3.06Å; C28-I48 WeakPolarHBondContact O-CG2 3.13Å; C28-C78 HydrophobicContact CB-CB 3.8Å; C28-C78 WeakPolarHBondContact CB-SG 3.42Å; C28-C78 WeakPolarHBondContact SG-CA 3.24Å; C28-C78 WeakPolarHBondContact SG-CB 3.35Å; C28-C78 CovalentContact SG-SG 2.03Å; C28-C78 PolarHBondContact SG-SG 3.36Å; C28-I81 HydrophobicContact CB-CD1 3.41Å; C28-I81 VanDerWaalsContact CB-CD1 3.41Å
29	L	91.6	Very high	78.2	Confident	22 Å²	22	84.7 Å²	84.7	12%	0.115	47%	0.465	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.4	-3.5	-179.7	-56.5	177.1	0	0	0	112.2	G26 A27 I48 I81 T109 M111	G26-L29 PolarHBondContact O-N 2.93Å; A27-L29 PolarHBondContact O-N 2.61Å; A27-L29 VanDerWaalsContact O-N 3.12Å; L29-I48 HydrophobicContact CD2-CG2 3.99Å; L29-I81 HydrophobicContact CD2-CD1 3.88Å; L29-T109 WeakPolarHBondContact CD1-O 3.01Å; L29-M111 HydrophobicContact CD2-CE 4.32Å
30	L	93.3	Very high	80.9	Confident	70 Å²	70	86.1 Å²	86.1	37%	0.366	47%	0.468	S	S	.	.	S	Bend	trans	-75.1	148.1	174.7	-60	173.1	0	0	0	110.3	G26 A27 N64 A65 N66	G26-L30 PolarHBondContact O-N 3.44Å; A27-L30 WeakPolarHBondContact O-CB 3.2Å; A27-L30 PolarHBondContact O-N 2.02Å; A27-L30 VanDerWaalsContact O-N 3.15Å; L30-N64 HydrophobicContact CD1-CB 3.98Å; L30-A65 HydrophobicContact CD1-CB 4.14Å; L30-N66 HydrophobicContact CB-CB 4.16Å; L30-N66 PolarHBondContact O-ND2 3.07Å
31	P	92.9	Very high	83.6	Confident	100 Å²	100	86.2 Å²	86.2	65%	0.649	46%	0.458	S	S	*	.	P	Polyproline II helix	trans	-62.5	156.2	170.4	29	-35.3	0	0	0	110.6	N64	P31-N64 PolarHBondContact O-ND2 3.45Å; P31-N64 PolarHBondContact O-OD1 3.45Å
32	V	94.8	Very high	86.5	Confident	57 Å²	57	83.9 Å²	83.9	35%	0.345	44%	0.444	S	S	.	.	P	Polyproline II helix	trans	-66.5	142.3	170.6	67.5	0	0	0	0	110	Y45 F56	V32-Y45 HydrophobicContact CB-CD2 3.82Å; V32-Y45 HydrophobicContact CB-CE2 4.03Å; V32-Y45 HydrophobicContact CB-CG 4.11Å; V32-Y45 HydrophobicContact CG1-CE2 4.43Å; V32-Y45 HydrophobicContact CG2-CD1 4.14Å; V32-Y45 HydrophobicContact CG2-CD2 4.19Å; V32-Y45 HydrophobicContact CG2-CG 3.95Å; V32-F56 HydrophobicContact CG2-CB 3.87Å; V32-F56 HydrophobicContact CG2-CD1 4.02Å; V32-F56 HydrophobicContact CG2-CD2 3.19Å; V32-F56 HydrophobicContact CG2-CE1 4.32Å; V32-F56 HydrophobicContact CG2-CE2 3.56Å; V32-F56 HydrophobicContact CG2-CG 3.42Å; V32-F56 VanDerWaalsContact CG2-CG 3.42Å; V32-F56 HydrophobicContact CG2-CZ 4.1Å
33	E	96.9	Very high	89.2	Confident	78 Å²	78	82 Å²	82	36%	0.364	42%	0.423	S	S	.	.			trans	-141.3	112.8	-178.3	-169.7	-176.2	152.3	0	0	110.8	G35 G63 N64	E33-G35 VanDerWaalsContact C-N 3.31Å; E33-G63 VanDerWaalsContact CD-CA 3.42Å; E33-G63 WeakPolarHBondContact OE1-CA 3.34Å; E33-G63 PolarHBondContact OE1-N 2.89Å; E33-N64 VanDerWaalsContact CB-ND2 3.25Å; E33-N64 WeakPolarHBondContact CB-ND2 2.96Å; E33-N64 PolarHBondContact OE2-ND2 3.28Å
34	N	97.4	Very high	91.7	Very high	87 Å²	87	74 Å²	74	47%	0.465	39%	0.393	S	S	.	.			trans	-73.6	-26	-177.5	-62.9	9.3	0	0	0	111.8	Y58 G59	N34-Y58 VanDerWaalsContact O-CD2 3.3Å; N34-Y58 WeakPolarHBondContact O-CD2 3.46Å; N34-G59 WeakPolarHBondContact O-CA 3.46Å; N34-G59 PolarHBondContact O-N 3.49Å
35	G	96.4	Very high	93.8	Very high	26 Å²	26	71.4 Å²	71.4	27%	0.268	38%	0.376	S	S	.	.			trans	74.9	172.3	-172	0	0	0	0	0	113.1	E33	E33-G35 VanDerWaalsContact C-N 3.31Å
36	P	97.4	Very high	95.4	Very high	85 Å²	85	65.9 Å²	65.9	55%	0.552	35%	0.352	S	S	*	.	S	Bend	trans	-85.3	-13.9	-173	33.3	-35.6	0	0	0	114.2	Q62	P36-Q62 HydrophobicContact CG-CG 4.2Å
37	C	98.1	Very high	96.1	Very high	58 Å²	58	65.2 Å²	65.2	39%	0.392	34%	0.34	S	S	.	.	S	Bend	trans	-72.3	156.1	178.1	-71.6	0	0	0	0	111.5	G59 C61	C37-G59 CarbonylContact C-O 3.55Å; C37-G59 WeakPolarHBondContact CB-O 3.27Å; C37-G59 WeakPolarHBondContact O-CA 3.43Å; C37-C61 HydrophobicContact CB-CB 3.92Å; C37-C61 WeakPolarHBondContact CB-SG 2.97Å; C37-C61 WeakPolarHBondContact SG-CB 3.22Å; C37-C61 CovalentContact SG-SG 2.02Å; C37-C61 PolarHBondContact SG-SG 3.3Å
38	R	97	Very high	96.1	Very high	250 Å²	250	66.9 Å²	66.9	94%	0.943	35%	0.347	S	S	*	.			trans	-101.7	20.2	-171.9	-59.1	-176.7	-177.2	-179.8	-0	114.2
39	G	96.1	Very high	96	Very high	36 Å²	36	69 Å²	69	37%	0.371	36%	0.36	S	S	.	.			trans	-69.6	154.9	171.8	0	0	0	0	0	111.6	G59	G39-G59 VanDerWaalsContact CA-O 3.31Å; G39-G59 WeakPolarHBondContact CA-O 3.32Å; G39-G59 PolarHBondContact N-O 3.14Å; G39-G59 WeakPolarHBondContact O-CA 3.42Å
40	E	97.1	Very high	96.1	Very high	156 Å²	156	70.2 Å²	70.2	73%	0.729	37%	0.368	S	S	*	.			trans	-116.3	65.9	175.4	-168.3	172	-159.6	0	0	108.8	Y57	E40-Y57 HydrophobicContact CG-CD1 3.59Å; E40-Y57 HydrophobicContact CG-CE1 4.1Å; E40-Y57 HydrophobicContact CG-CG 4.11Å
41	I	98.3	Very high	96	Very high	69 Å²	69	67 Å²	67	35%	0.354	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	112.9	-173.8	-51.5	177.8	0	0	0	108.9	R43 Y58	I41-R43 HydrophobicContact CG2-CG 4.31Å; I41-R43 PolarHBondContact O-N 2.8Å; I41-Y58 WeakPolarHBondContact CB-O 3.44Å; I41-Y58 HydrophobicContact CD1-CD1 4.43Å; I41-Y58 PolarHBondContact N-O 3.45Å; I41-Y58 VanDerWaalsContact N-O 3.07Å; I41-Y58 PolarHBondContact O-N 3.25Å
42	E	98.4	Very high	96.1	Very high	99 Å²	99	68.6 Å²	68.6	46%	0.463	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.7	123.9	172.5	-168.9	-172.3	116.3	0	0	110.2	Y44 I55	E42-Y44 PolarHBondContact OE1-OH 3.11Å; E42-I55 HydrophobicContact CG-CG2 3.61Å
43	R	98.4	Very high	96.2	Very high	51 Å²	51	66.5 Å²	66.5	19%	0.192	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	167	175.8	-66.2	-64.8	-179.6	79.7	5.7	109.6	I41 I55 F56 Y58 N67	I41-R43 HydrophobicContact CG2-CG 4.31Å; I41-R43 PolarHBondContact O-N 2.8Å; R43-I55 CarbonylContact O-C 3.56Å; R43-I55 WeakPolarHBondContact O-CA 3.42Å; R43-F56 HydrophobicContact CB-CD1 3.86Å; R43-F56 HydrophobicContact CB-CE1 3.36Å; R43-F56 HydrophobicContact CB-CZ 3.87Å; R43-F56 HydrophobicContact CG-CE1 4.49Å; R43-F56 PolarHBondContact N-O 2.86Å; R43-F56 WeakPolarHBondContact O-CD1 3.28Å; R43-F56 PolarHBondContact O-N 3.46Å; R43-F56 VanDerWaalsContact O-O 3.12Å; R43-Y58 HydrophobicContact CG-CD1 4.45Å; R43-Y58 HydrophobicContact CG-CG 4.4Å; R43-N67 WeakPolarHBondContact CB-OD1 3.5Å; R43-N67 WeakPolarHBondContact CD-OD1 3.25Å; R43-N67 VanDerWaalsContact CG-OD1 3.23Å; R43-N67 WeakPolarHBondContact CG-OD1 3.32Å; R43-N67 PolarHBondContact NH1-OD1 2.94Å
44	Y	98.4	Very high	96.3	Very high	42 Å²	42	65.3 Å²	65.3	17%	0.165	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.1	177.8	-65.8	-100	0	0	0	109.7	E42 E54 I55 F68 S70 Y71	E42-Y44 PolarHBondContact OE1-OH 3.11Å; Y44-E54 CarbonylContact C-O 3.51Å; Y44-E54 VanDerWaalsContact CA-O 3.24Å; Y44-E54 WeakPolarHBondContact CA-O 3.45Å; Y44-I55 HydrophobicContact CD1-CG1 4Å; Y44-I55 HydrophobicContact CE1-CD1 4.12Å; Y44-I55 HydrophobicContact CE1-CG1 3.46Å; Y44-I55 VanDerWaalsContact CE1-CG1 3.46Å; Y44-I55 HydrophobicContact CE2-CG1 4.49Å; Y44-F68 PolarHBondContact N-O 2.84Å; Y44-F68 VanDerWaalsContact O-CD2 3.31Å; Y44-F68 WeakPolarHBondContact O-CD2 3.31Å; Y44-F68 PolarHBondContact O-N 2.85Å; Y44-S70 VanDerWaalsContact CD2-C 3.47Å; Y44-Y71 AromaticContact CD1-CD2 3.97Å; Y44-Y71 HydrophobicContact CD1-CD2 3.97Å; Y44-Y71 HydrophobicContact CD1-CG 4.38Å; Y44-Y71 HydrophobicContact CE1-CD2 4.11Å; Y44-Y71 HydrophobicContact CE1-CG 4.37Å
45	Y	97.9	Very high	96.3	Very high	38 Å²	38	65.1 Å²	65.1	15%	0.149	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	157.6	171.6	79.8	-73.4	0	0	0	109.6	V32 N47 C53 E54 F56 N66	V32-Y45 HydrophobicContact CB-CD2 3.82Å; V32-Y45 HydrophobicContact CB-CE2 4.03Å; V32-Y45 HydrophobicContact CB-CG 4.11Å; V32-Y45 HydrophobicContact CG1-CE2 4.43Å; V32-Y45 HydrophobicContact CG2-CD1 4.14Å; V32-Y45 HydrophobicContact CG2-CD2 4.19Å; V32-Y45 HydrophobicContact CG2-CG 3.95Å; Y45-N47 HydrophobicContact CE2-CB 3.73Å; Y45-N47 PolarHBondContact OH-ND2 3.35Å; Y45-C53 CarbonylContact O-C 3.51Å; Y45-C53 VanDerWaalsContact O-CA 3.29Å; Y45-C53 WeakPolarHBondContact O-CA 3.27Å; Y45-E54 HydrophobicContact CD1-CB 4.37Å; Y45-E54 WeakPolarHBondContact CD1-O 3.44Å; Y45-E54 HydrophobicContact CE1-CB 3.83Å; Y45-E54 PolarHBondContact N-O 2.81Å; Y45-E54 PolarHBondContact O-N 3.16Å; Y45-F56 HydrophobicContact CD1-CB 3.85Å; Y45-F56 AromaticContact CD1-CD1 3.73Å; Y45-F56 HydrophobicContact CD1-CD1 3.73Å; Y45-F56 HydrophobicContact CD1-CG 4.05Å; Y45-F56 HydrophobicContact CE1-CB 4.07Å; Y45-F56 HydrophobicContact CG-CD1 4.18Å; Y45-N66 WeakPolarHBondContact CB-O 3.27Å
46	Y	96.7	Very high	96.4	Very high	14 Å²	14	64.6 Å²	64.6	6%	0.055	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	115.3	172.1	-171	-96.8	0	0	0	109.9	C28 I48 Q51 N66 C78 I81	C28-Y46 HydrophobicContact CB-CD1 4.18Å; C28-Y46 HydrophobicContact CB-CG 4.27Å; C28-Y46 WeakPolarHBondContact O-CD1 3.06Å; Y46-I48 HydrophobicContact CD1-CG2 4.04Å; Y46-I48 HydrophobicContact CE1-CG2 4.2Å; Y46-Q51 WeakPolarHBondContact OH-CA 3.49Å; Y46-Q51 WeakPolarHBondContact OH-CB 3.18Å; Y46-N66 PolarHBondContact N-OD1 3.26Å; Y46-N66 PolarHBondContact O-ND2 2.7Å; Y46-C78 VanDerWaalsContact CB-SG 3.55Å; Y46-C78 HydrophobicContact CD1-CB 4.44Å; Y46-C78 HydrophobicContact CD2-CB 3.37Å; Y46-C78 HydrophobicContact CE2-CB 3.82Å; Y46-C78 HydrophobicContact CG-CB 3.71Å; Y46-I81 HydrophobicContact CD1-CD1 3.69Å; Y46-I81 HydrophobicContact CE1-CB 4.34Å; Y46-I81 HydrophobicContact CE1-CD1 3.34Å; Y46-I81 HydrophobicContact CE1-CG1 4.41Å; Y46-I81 HydrophobicContact CE1-CG2 4.12Å; Y46-I81 HydrophobicContact CG-CD1 4.45Å; Y46-I81 WeakPolarHBondContact OH-CG2 3.25Å
47	N	95.3	Very high	96.5	Very high	25 Å²	25	66.5 Å²	66.5	13%	0.134	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	111.6	174.4	-177.1	-25.5	0	0	0	109.2	Y45 V49 T50 Q51 K52 E54	Y45-N47 HydrophobicContact CE2-CB 3.73Å; Y45-N47 PolarHBondContact OH-ND2 3.35Å; N47-V49 VanDerWaalsContact C-N 3.27Å; N47-V49 PolarHBondContact O-N 3.36Å; N47-V49 WeakPolarHBondContact OD1-CA 3.26Å; N47-V49 WeakPolarHBondContact OD1-CB 3.38Å; N47-V49 PolarHBondContact OD1-N 2.64Å; N47-T50 VanDerWaalsContact CB-OG1 3.32Å; N47-T50 WeakPolarHBondContact CB-OG1 3.33Å; N47-T50 VanDerWaalsContact CG-OG1 3.29Å; N47-T50 PolarHBondContact OD1-N 3.38Å; N47-Q51 WeakPolarHBondContact O-CA 3.16Å; N47-Q51 PolarHBondContact O-N 2.82Å; N47-K52 PolarHBondContact N-O 2.79Å; N47-K52 PolarHBondContact O-N 3.07Å; N47-E54 HydrophobicContact CB-CG 4.36Å; N47-E54 WeakPolarHBondContact CB-OE2 3.37Å; N47-E54 PolarHBondContact ND2-OE2 3.19Å
48	I	92.1	Very high	96.5	Very high	41 Å²	41	64.9 Å²	64.9	21%	0.21	30%	0.301	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.8	-178.7	60.7	170.4	0	0	0	113.4	C28 L29 Y46 Q51 R89 M108	C28-I48 WeakPolarHBondContact O-CG2 3.13Å; L29-I48 HydrophobicContact CD2-CG2 3.99Å; Y46-I48 HydrophobicContact CD1-CG2 4.04Å; Y46-I48 HydrophobicContact CE1-CG2 4.2Å; I48-Q51 WeakPolarHBondContact O-CG 3.25Å; I48-R89 WeakPolarHBondContact O-CD 3.31Å; I48-M108 HydrophobicContact CB-CE 4.19Å; I48-M108 HydrophobicContact CD1-CB 3.96Å
49	V	92.1	Very high	96.5	Very high	46 Å²	46	53.2 Å²	53.2	28%	0.279	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-51.6	179.5	-176.3	0	0	0	0	109.4	N47 Q51 Q86 R89 F90	N47-V49 VanDerWaalsContact C-N 3.27Å; N47-V49 PolarHBondContact O-N 3.36Å; N47-V49 WeakPolarHBondContact OD1-CA 3.26Å; N47-V49 WeakPolarHBondContact OD1-CB 3.38Å; N47-V49 PolarHBondContact OD1-N 2.64Å; V49-Q51 VanDerWaalsContact C-N 3.33Å; V49-Q86 PolarHBondContact O-OE1 3.17Å; V49-R89 WeakPolarHBondContact O-CD 3.35Å; V49-R89 PolarHBondContact O-NH1 2.88Å; V49-F90 HydrophobicContact CG1-CD1 3.99Å; V49-F90 HydrophobicContact CG1-CE1 3.84Å
50	T	93.8	Very high	96.5	Very high	46 Å²	46	53.3 Å²	53.3	28%	0.282	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.4	-16.2	179.5	64.2	0	0	0	0	112.7	N47 K52 E54	N47-T50 VanDerWaalsContact CB-OG1 3.32Å; N47-T50 WeakPolarHBondContact CB-OG1 3.33Å; N47-T50 VanDerWaalsContact CG-OG1 3.29Å; N47-T50 PolarHBondContact OD1-N 3.38Å; T50-K52 VanDerWaalsContact C-N 3.3Å; T50-E54 WeakPolarHBondContact CB-OE1 3.34Å; T50-E54 VanDerWaalsContact CG2-OE1 3.28Å; T50-E54 WeakPolarHBondContact CG2-OE1 3.3Å; T50-E54 PolarHBondContact OG1-OE1 3.44Å
51	Q	91.3	Very high	96.5	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.019	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.5	44.5	-171.1	-68.6	-166.6	-32.2	0	0	113.2	Y46 N47 I48 V49 P82 K83 R89	Y46-Q51 WeakPolarHBondContact OH-CA 3.49Å; Y46-Q51 WeakPolarHBondContact OH-CB 3.18Å; N47-Q51 WeakPolarHBondContact O-CA 3.16Å; N47-Q51 PolarHBondContact O-N 2.82Å; I48-Q51 WeakPolarHBondContact O-CG 3.25Å; V49-Q51 VanDerWaalsContact C-N 3.33Å; Q51-P82 PolarHBondContact NE2-O 2.97Å; Q51-K83 PolarHBondContact O-NZ 3.23Å; Q51-R89 VanDerWaalsContact CD-NE 3.34Å; Q51-R89 VanDerWaalsContact OE1-CZ 3.23Å
52	K	94.8	Very high	96.4	Very high	133 Å²	133	51 Å²	51	58%	0.578	25%	0.251	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-136.1	155.5	-178.9	-67.9	176.8	-176.3	178.7	0	110.4	N47 T50 E54	N47-K52 PolarHBondContact N-O 2.79Å; N47-K52 PolarHBondContact O-N 3.07Å; T50-K52 VanDerWaalsContact C-N 3.3Å; K52-E54 HydrophobicContact CB-CG 4.33Å
53	C	97.4	Very high	96.2	Very high	12 Å²	12	47.6 Å²	47.6	8%	0.081	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	126.6	164.7	-67.9	0	0	0	0	108.7	Y45 Y71 C74 Q75	Y45-C53 CarbonylContact O-C 3.51Å; Y45-C53 VanDerWaalsContact O-CA 3.29Å; Y45-C53 WeakPolarHBondContact O-CA 3.27Å; C53-Y71 HydrophobicContact CB-CD2 3.68Å; C53-Y71 HydrophobicContact CB-CE2 3.63Å; C53-Y71 WeakPolarHBondContact O-CE2 3.32Å; C53-C74 HydrophobicContact CB-CB 3.71Å; C53-C74 WeakPolarHBondContact CB-SG 3.49Å; C53-C74 WeakPolarHBondContact SG-CB 3.37Å; C53-C74 CovalentContact SG-SG 2.03Å; C53-C74 PolarHBondContact SG-SG 3.43Å; C53-Q75 PolarHBondContact SG-N 3.34Å
54	E	98.1	Very high	96.1	Very high	54 Å²	54	46.8 Å²	46.8	25%	0.252	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	159.8	-174.7	-69.5	176.3	-174.8	0	0	109.8	Y44 Y45 N47 T50 K52	Y44-E54 CarbonylContact C-O 3.51Å; Y44-E54 VanDerWaalsContact CA-O 3.24Å; Y44-E54 WeakPolarHBondContact CA-O 3.45Å; Y45-E54 HydrophobicContact CD1-CB 4.37Å; Y45-E54 WeakPolarHBondContact CD1-O 3.44Å; Y45-E54 HydrophobicContact CE1-CB 3.83Å; Y45-E54 PolarHBondContact N-O 2.81Å; Y45-E54 PolarHBondContact O-N 3.16Å; N47-E54 HydrophobicContact CB-CG 4.36Å; N47-E54 WeakPolarHBondContact CB-OE2 3.37Å; N47-E54 PolarHBondContact ND2-OE2 3.19Å; T50-E54 WeakPolarHBondContact CB-OE1 3.34Å; T50-E54 VanDerWaalsContact CG2-OE1 3.28Å; T50-E54 WeakPolarHBondContact CG2-OE1 3.3Å; T50-E54 PolarHBondContact OG1-OE1 3.44Å; K52-E54 HydrophobicContact CB-CG 4.33Å
55	I	98.3	Very high	96	Very high	82 Å²	82	47.6 Å²	47.6	42%	0.421	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	143.5	179.9	-66.5	169.1	0	0	0	109.6	E42 R43 Y44	E42-I55 HydrophobicContact CG-CG2 3.61Å; R43-I55 CarbonylContact O-C 3.56Å; R43-I55 WeakPolarHBondContact O-CA 3.42Å; Y44-I55 HydrophobicContact CD1-CG1 4Å; Y44-I55 HydrophobicContact CE1-CD1 4.12Å; Y44-I55 HydrophobicContact CE1-CG1 3.46Å; Y44-I55 VanDerWaalsContact CE1-CG1 3.46Å; Y44-I55 HydrophobicContact CE2-CG1 4.49Å
56	F	98.1	Very high	95.9	Very high	16 Å²	16	45.8 Å²	45.8	7%	0.07	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143	164.9	163.4	80.7	-69.2	0	0	0	110.4	V32 R43 Y45 N67	V32-F56 HydrophobicContact CG2-CB 3.87Å; V32-F56 HydrophobicContact CG2-CD1 4.02Å; V32-F56 HydrophobicContact CG2-CD2 3.19Å; V32-F56 HydrophobicContact CG2-CE1 4.32Å; V32-F56 HydrophobicContact CG2-CE2 3.56Å; V32-F56 HydrophobicContact CG2-CG 3.42Å; V32-F56 VanDerWaalsContact CG2-CG 3.42Å; V32-F56 HydrophobicContact CG2-CZ 4.1Å; R43-F56 HydrophobicContact CB-CD1 3.86Å; R43-F56 HydrophobicContact CB-CE1 3.36Å; R43-F56 HydrophobicContact CB-CZ 3.87Å; R43-F56 HydrophobicContact CG-CE1 4.49Å; R43-F56 PolarHBondContact N-O 2.86Å; R43-F56 WeakPolarHBondContact O-CD1 3.28Å; R43-F56 PolarHBondContact O-N 3.46Å; R43-F56 VanDerWaalsContact O-O 3.12Å; Y45-F56 HydrophobicContact CD1-CB 3.85Å; Y45-F56 AromaticContact CD1-CD1 3.73Å; Y45-F56 HydrophobicContact CD1-CD1 3.73Å; Y45-F56 HydrophobicContact CD1-CG 4.05Å; Y45-F56 HydrophobicContact CE1-CB 4.07Å; Y45-F56 HydrophobicContact CG-CD1 4.18Å; F56-N67 HydrophobicContact CE1-CB 4.38Å; F56-N67 HydrophobicContact CZ-CB 3.92Å
57	Y	98.2	Very high	96	Very high	124 Å²	124	46.6 Å²	46.6	49%	0.486	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	113.3	178.9	-63.7	-77	0	0	0	110.8	E40	E40-Y57 HydrophobicContact CG-CD1 3.59Å; E40-Y57 HydrophobicContact CG-CE1 4.1Å; E40-Y57 HydrophobicContact CG-CG 4.11Å
58	Y	98.3	Very high	96.1	Very high	25 Å²	25	45.9 Å²	45.9	10%	0.098	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	131.3	178.8	174.7	-121.5	0	0	0	111.1	N34 I41 R43 G60 C61 Q62 N67	N34-Y58 VanDerWaalsContact O-CD2 3.3Å; N34-Y58 WeakPolarHBondContact O-CD2 3.46Å; I41-Y58 WeakPolarHBondContact CB-O 3.44Å; I41-Y58 HydrophobicContact CD1-CD1 4.43Å; I41-Y58 PolarHBondContact N-O 3.45Å; I41-Y58 VanDerWaalsContact N-O 3.07Å; I41-Y58 PolarHBondContact O-N 3.25Å; R43-Y58 HydrophobicContact CG-CD1 4.45Å; R43-Y58 HydrophobicContact CG-CG 4.4Å; Y58-G60 VanDerWaalsContact CE1-C 3.44Å; Y58-G60 PolarHBondContact O-N 3.34Å; Y58-G60 VanDerWaalsContact O-N 3.15Å; Y58-C61 WeakPolarHBondContact CE2-O 3.26Å; Y58-C61 WeakPolarHBondContact OH-CA 3.48Å; Y58-C61 PolarHBondContact OH-N 3.26Å; Y58-C61 PolarHBondContact OH-O 2.75Å; Y58-Q62 VanDerWaalsContact CE2-O 3.28Å; Y58-Q62 WeakPolarHBondContact CE2-O 3.47Å; Y58-Q62 PolarHBondContact OH-N 2.84Å; Y58-Q62 PolarHBondContact OH-O 2.9Å; Y58-N67 VanDerWaalsContact CD2-ND2 3.34Å; Y58-N67 WeakPolarHBondContact CD2-ND2 3.42Å; Y58-N67 VanDerWaalsContact CG-ND2 3.34Å
59	G	98	Very high	96.3	Very high	5 Å²	5	51.7 Å²	51.7	5%	0.052	28%	0.275	C	S	.	.			trans	-63.6	-16.9	-179.1	0	0	0	0	0	115	N34 C37 G39	N34-G59 WeakPolarHBondContact O-CA 3.46Å; N34-G59 PolarHBondContact O-N 3.49Å; C37-G59 CarbonylContact C-O 3.55Å; C37-G59 WeakPolarHBondContact CB-O 3.27Å; C37-G59 WeakPolarHBondContact O-CA 3.43Å; G39-G59 VanDerWaalsContact CA-O 3.31Å; G39-G59 WeakPolarHBondContact CA-O 3.32Å; G39-G59 PolarHBondContact N-O 3.14Å; G39-G59 WeakPolarHBondContact O-CA 3.42Å
60	G	96.6	Very high	96.6	Very high	38 Å²	38	51.7 Å²	51.7	39%	0.392	28%	0.277	S	S	.	.	S	Bend	trans	99	-5.6	177.7	0	0	0	0	0	115.4	Y58	Y58-G60 VanDerWaalsContact CE1-C 3.44Å; Y58-G60 PolarHBondContact O-N 3.34Å; Y58-G60 VanDerWaalsContact O-N 3.15Å
61	C	97	Very high	96.7	Very high	35 Å²	35	54.1 Å²	54.1	24%	0.236	28%	0.282	C	S	.	.	S	Bend	trans	-146.9	160.2	172.6	75.4	0	0	0	0	112.3	C37 Y58	C37-C61 HydrophobicContact CB-CB 3.92Å; C37-C61 WeakPolarHBondContact CB-SG 2.97Å; C37-C61 WeakPolarHBondContact SG-CB 3.22Å; C37-C61 CovalentContact SG-SG 2.02Å; C37-C61 PolarHBondContact SG-SG 3.3Å; Y58-C61 WeakPolarHBondContact CE2-O 3.26Å; Y58-C61 WeakPolarHBondContact OH-CA 3.48Å; Y58-C61 PolarHBondContact OH-N 3.26Å; Y58-C61 PolarHBondContact OH-O 2.75Å
62	Q	95.2	Very high	96.9	Very high	141 Å²	141	61.1 Å²	61.1	66%	0.659	31%	0.314	S	S	*	.	S	Bend	trans	54	-144.7	-173.4	-54.7	-176.3	2.5	0	0	111.7	P36 Y58	P36-Q62 HydrophobicContact CG-CG 4.2Å; Y58-Q62 VanDerWaalsContact CE2-O 3.28Å; Y58-Q62 WeakPolarHBondContact CE2-O 3.47Å; Y58-Q62 PolarHBondContact OH-N 2.84Å; Y58-Q62 PolarHBondContact OH-O 2.9Å
63	G	94	Very high	97	Very high	27 Å²	27	58.6 Å²	58.6	28%	0.278	30%	0.304	S	S	.	.			trans	86.7	-171.8	-173.8	0	0	0	0	0	112.7	E33	E33-G63 VanDerWaalsContact CD-CA 3.42Å; E33-G63 WeakPolarHBondContact OE1-CA 3.34Å; E33-G63 PolarHBondContact OE1-N 2.89Å
64	N	96	Very high	96.9	Very high	35 Å²	35	58 Å²	58	19%	0.187	30%	0.3	C	S	.	.			trans	-130.9	-176.3	-178	68.8	56	0	0	0	112.8	L30 P31 E33 N66 N67	L30-N64 HydrophobicContact CD1-CB 3.98Å; P31-N64 PolarHBondContact O-ND2 3.45Å; P31-N64 PolarHBondContact O-OD1 3.45Å; E33-N64 VanDerWaalsContact CB-ND2 3.25Å; E33-N64 WeakPolarHBondContact CB-ND2 2.96Å; E33-N64 PolarHBondContact OE2-ND2 3.28Å; N64-N66 VanDerWaalsContact C-N 3.27Å; N64-N66 PolarHBondContact O-N 3.08Å; N64-N66 WeakPolarHBondContact OD1-CB 3.02Å; N64-N66 PolarHBondContact OD1-N 3.11Å; N64-N67 WeakPolarHBondContact O-CB 3.39Å
65	A	96.4	Very high	96.6	Very high	58 Å²	58	59.7 Å²	59.7	48%	0.479	31%	0.308	S	S	.	.	S	Bend	trans	-73.8	-10.2	-173.1	0	0	0	0	0	114.5	A27 L30 N67	A27-A65 HydrophobicContact CB-CB 3.58Å; L30-A65 HydrophobicContact CD1-CB 4.14Å; A65-N67 PolarHBondContact O-N 3.47Å
66	N	97.1	Very high	96.2	Very high	1 Å²	1	63.8 Å²	63.8	1%	0.005	32%	0.323	C	S	.	.	S	Bend	trans	-78.7	53	170.9	-156.4	2	0	0	0	111	A27 L30 Y45 Y46 N64 F68	A27-N66 WeakPolarHBondContact O-CB 3.2Å; L30-N66 HydrophobicContact CB-CB 4.16Å; L30-N66 PolarHBondContact O-ND2 3.07Å; Y45-N66 WeakPolarHBondContact CB-O 3.27Å; Y46-N66 PolarHBondContact N-OD1 3.26Å; Y46-N66 PolarHBondContact O-ND2 2.7Å; N64-N66 VanDerWaalsContact C-N 3.27Å; N64-N66 PolarHBondContact O-N 3.08Å; N64-N66 WeakPolarHBondContact OD1-CB 3.02Å; N64-N66 PolarHBondContact OD1-N 3.11Å; N66-F68 WeakPolarHBondContact OD1-CE2 3.36Å
67	N	97.7	Very high	95.8	Very high	30 Å²	30	64.7 Å²	64.7	16%	0.16	33%	0.33	C	S	.	.			trans	-146.4	103.2	-173.9	-176	-28	0	0	0	108.8	R43 F56 Y58 N64 A65	R43-N67 WeakPolarHBondContact CB-OD1 3.5Å; R43-N67 WeakPolarHBondContact CD-OD1 3.25Å; R43-N67 VanDerWaalsContact CG-OD1 3.23Å; R43-N67 WeakPolarHBondContact CG-OD1 3.32Å; R43-N67 PolarHBondContact NH1-OD1 2.94Å; F56-N67 HydrophobicContact CE1-CB 4.38Å; F56-N67 HydrophobicContact CZ-CB 3.92Å; Y58-N67 VanDerWaalsContact CD2-ND2 3.34Å; Y58-N67 WeakPolarHBondContact CD2-ND2 3.42Å; Y58-N67 VanDerWaalsContact CG-ND2 3.34Å; N64-N67 WeakPolarHBondContact O-CB 3.39Å; A65-N67 PolarHBondContact O-N 3.47Å
68	F	97.7	Very high	95.5	Very high	10 Å²	10	58.9 Å²	58.9	4%	0.044	31%	0.308	C	S	.	.	B	Isolated β-bridge	trans	-113.9	144.9	-174.5	-54.1	-76.1	0	0	0	110.2	Y44 N66 S70 E73 C74 T77	Y44-F68 PolarHBondContact N-O 2.84Å; Y44-F68 VanDerWaalsContact O-CD2 3.31Å; Y44-F68 WeakPolarHBondContact O-CD2 3.31Å; Y44-F68 PolarHBondContact O-N 2.85Å; N66-F68 WeakPolarHBondContact OD1-CE2 3.36Å; F68-S70 VanDerWaalsContact C-N 3.27Å; F68-S70 PolarHBondContact O-N 3.29Å; F68-E73 HydrophobicContact CB-CB 4.32Å; F68-E73 HydrophobicContact CB-CG 4.3Å; F68-E73 HydrophobicContact CD1-CG 3.94Å; F68-C74 HydrophobicContact CB-CB 3.86Å; F68-C74 HydrophobicContact CD2-CB 3.37Å; F68-C74 HydrophobicContact CE2-CB 4.02Å; F68-C74 HydrophobicContact CG-CB 3.66Å; F68-T77 HydrophobicContact CE1-CG2 3.77Å; F68-T77 HydrophobicContact CZ-CG2 3.97Å
69	K	97.2	Very high	94.8	Very high	163 Å²	163	63.4 Å²	63.4	71%	0.709	33%	0.328	S	S	*	.	S	Bend	trans	-76.1	-18.9	-179	-64.8	179.3	179.3	178.9	0	112.6	E73	K69-E73 WeakPolarHBondContact CB-OE2 3.17Å; K69-E73 PolarHBondContact N-OE2 2.77Å
70	S	97.7	Very high	94	Very high	46 Å²	46	70.3 Å²	70.3	32%	0.322	35%	0.353	S	S	.	.	S	Bend	trans	-147.7	156.8	-180	67.8	0	0	0	0	112.2	Y44 F68 Q72 E73 C74	Y44-S70 VanDerWaalsContact CD2-C 3.47Å; F68-S70 VanDerWaalsContact C-N 3.27Å; F68-S70 PolarHBondContact O-N 3.29Å; S70-Q72 VanDerWaalsContact C-N 3.27Å; S70-Q72 PolarHBondContact O-N 2.9Å; S70-E73 PolarHBondContact O-N 3.15Å; S70-E73 WeakPolarHBondContact OG-CB 3.24Å; S70-E73 PolarHBondContact OG-N 2.02Å; S70-C74 PolarHBondContact O-N 2.83Å; S70-C74 VanDerWaalsContact O-N 3.14Å
71	Y	96.1	Very high	93.5	Very high	98 Å²	98	69.5 Å²	69.5	38%	0.384	34%	0.339	S	S	.	.	H	α-helix	trans	-54.4	-42.6	172.1	-176.8	-101.9	0	0	0	112.7	Y44 C53 E73 C74 Q75	Y44-Y71 AromaticContact CD1-CD2 3.97Å; Y44-Y71 HydrophobicContact CD1-CD2 3.97Å; Y44-Y71 HydrophobicContact CD1-CG 4.38Å; Y44-Y71 HydrophobicContact CE1-CD2 4.11Å; Y44-Y71 HydrophobicContact CE1-CG 4.37Å; C53-Y71 HydrophobicContact CB-CD2 3.68Å; C53-Y71 HydrophobicContact CB-CE2 3.63Å; C53-Y71 WeakPolarHBondContact O-CE2 3.32Å; Y71-E73 PolarHBondContact O-N 3.15Å; Y71-C74 PolarHBondContact O-N 3.48Å; Y71-Q75 HydrophobicContact CD1-CG 4.07Å; Y71-Q75 HydrophobicContact CE1-CG 3.69Å; Y71-Q75 HydrophobicContact CE2-CG 4.45Å; Y71-Q75 WeakPolarHBondContact O-CG 3.06Å; Y71-Q75 PolarHBondContact O-N 3.07Å; Y71-Q75 PolarHBondContact OH-NE2 3.49Å
72	Q	95.9	Very high	93	Very high	150 Å²	150	70 Å²	70	70%	0.701	34%	0.341	S	S	*	.	H	α-helix	trans	-65.6	-38.8	-179	-68.8	180	-4.3	0	0	112.3	S70 Q75 K76	S70-Q72 VanDerWaalsContact C-N 3.27Å; S70-Q72 PolarHBondContact O-N 2.9Å; Q72-Q75 PolarHBondContact O-N 2.87Å; Q72-K76 VanDerWaalsContact O-CB 3.25Å; Q72-K76 WeakPolarHBondContact O-CB 3.39Å; Q72-K76 PolarHBondContact O-N 2.92Å
73	E	95.4	Very high	92.6	Very high	80 Å²	80	70.4 Å²	70.4	37%	0.374	34%	0.341	S	S	.	.	H	α-helix	trans	-64.2	-46.1	175.7	-175.9	-175.1	-173	0	0	111.1	F68 K69 S70 Y71 K76 T77	F68-E73 HydrophobicContact CB-CB 4.32Å; F68-E73 HydrophobicContact CB-CG 4.3Å; F68-E73 HydrophobicContact CD1-CG 3.94Å; K69-E73 WeakPolarHBondContact CB-OE2 3.17Å; K69-E73 PolarHBondContact N-OE2 2.77Å; S70-E73 PolarHBondContact O-N 3.15Å; S70-E73 WeakPolarHBondContact OG-CB 3.24Å; S70-E73 PolarHBondContact OG-N 2.02Å; Y71-E73 PolarHBondContact O-N 3.15Å; E73-K76 PolarHBondContact O-N 2.75Å; E73-T77 WeakPolarHBondContact O-CB 3.47Å; E73-T77 PolarHBondContact O-N 2.93Å; E73-T77 PolarHBondContact O-OG1 3.24Å
74	C	96	Very high	92.5	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.3	-50	174.3	174.9	0	0	0	0	111.2	C53 F68 S70 Y71 K76 T77 C78	C53-C74 HydrophobicContact CB-CB 3.71Å; C53-C74 WeakPolarHBondContact CB-SG 3.49Å; C53-C74 WeakPolarHBondContact SG-CB 3.37Å; C53-C74 CovalentContact SG-SG 2.03Å; C53-C74 PolarHBondContact SG-SG 3.43Å; F68-C74 HydrophobicContact CB-CB 3.86Å; F68-C74 HydrophobicContact CD2-CB 3.37Å; F68-C74 HydrophobicContact CE2-CB 4.02Å; F68-C74 HydrophobicContact CG-CB 3.66Å; S70-C74 PolarHBondContact O-N 2.83Å; S70-C74 VanDerWaalsContact O-N 3.14Å; Y71-C74 PolarHBondContact O-N 3.48Å; C74-K76 PolarHBondContact O-N 2.91Å; C74-T77 PolarHBondContact O-N 3.35Å; C74-T77 VanDerWaalsContact O-N 3.16Å; C74-C78 WeakPolarHBondContact O-CB 3.43Å; C74-C78 PolarHBondContact O-N 2.92Å; C74-C78 PolarHBondContact O-SG 3.5Å; C74-C78 VanDerWaalsContact O-SG 3.41Å
75	Q	92.8	Very high	92.4	Very high	90 Å²	90	69.7 Å²	69.7	42%	0.421	33%	0.333	S	S	.	.	H	α-helix	trans	-59.7	-49.6	179.5	-78	-162.2	-30.2	0	0	111.7	C53 Y71 Q72 T77 C78 F79	C53-Q75 PolarHBondContact SG-N 3.34Å; Y71-Q75 HydrophobicContact CD1-CG 4.07Å; Y71-Q75 HydrophobicContact CE1-CG 3.69Å; Y71-Q75 HydrophobicContact CE2-CG 4.45Å; Y71-Q75 WeakPolarHBondContact O-CG 3.06Å; Y71-Q75 PolarHBondContact O-N 3.07Å; Y71-Q75 PolarHBondContact OH-NE2 3.49Å; Q72-Q75 PolarHBondContact O-N 2.87Å; Q75-T77 PolarHBondContact O-N 3.25Å; Q75-C78 PolarHBondContact O-N 2.88Å; Q75-F79 WeakPolarHBondContact O-CA 2.98Å; Q75-F79 VanDerWaalsContact O-CB 3.24Å; Q75-F79 WeakPolarHBondContact O-CB 2.99Å; Q75-F79 PolarHBondContact O-N 3.4Å
76	K	89.1	Confident	92.3	Very high	168 Å²	168	71.6 Å²	71.6	73%	0.73	33%	0.332	S	S	*	.	H	α-helix	trans	-62.9	-26.5	179.5	-177.3	178.9	176.4	-173.9	0	112.6	Q72 E73 C74 F79	Q72-K76 VanDerWaalsContact O-CB 3.25Å; Q72-K76 WeakPolarHBondContact O-CB 3.39Å; Q72-K76 PolarHBondContact O-N 2.92Å; E73-K76 PolarHBondContact O-N 2.75Å; C74-K76 PolarHBondContact O-N 2.91Å; K76-F79 WeakPolarHBondContact O-CD1 3.04Å; K76-F79 WeakPolarHBondContact O-CE1 3.37Å
77	T	89.6	Confident	92.2	Very high	34 Å²	34	74.1 Å²	74.1	21%	0.209	35%	0.345	C	S	.	.	H	α-helix	trans	-81.7	-41.7	177	-54.5	0	0	0	0	111.1	N24 F68 E73 C74 Q75	N24-T77 HydrophobicContact CB-CG2 4.19Å; F68-T77 HydrophobicContact CE1-CG2 3.77Å; F68-T77 HydrophobicContact CZ-CG2 3.97Å; E73-T77 WeakPolarHBondContact O-CB 3.47Å; E73-T77 PolarHBondContact O-N 2.93Å; E73-T77 PolarHBondContact O-OG1 3.24Å; C74-T77 PolarHBondContact O-N 3.35Å; C74-T77 VanDerWaalsContact O-N 3.16Å; Q75-T77 PolarHBondContact O-N 3.25Å
78	C	91.5	Very high	92.2	Very high	3 Å²	3	72.7 Å²	72.7	2%	0.02	34%	0.338	C	S	.	.	H	α-helix	trans	-103	-3.4	-168.4	-52.9	0	0	0	0	115	C28 Y46 C74 Q75 R80 I81	C28-C78 HydrophobicContact CB-CB 3.8Å; C28-C78 WeakPolarHBondContact CB-SG 3.42Å; C28-C78 WeakPolarHBondContact SG-CA 3.24Å; C28-C78 WeakPolarHBondContact SG-CB 3.35Å; C28-C78 CovalentContact SG-SG 2.03Å; C28-C78 PolarHBondContact SG-SG 3.36Å; Y46-C78 VanDerWaalsContact CB-SG 3.55Å; Y46-C78 HydrophobicContact CD1-CB 4.44Å; Y46-C78 HydrophobicContact CD2-CB 3.37Å; Y46-C78 HydrophobicContact CE2-CB 3.82Å; Y46-C78 HydrophobicContact CG-CB 3.71Å; C74-C78 WeakPolarHBondContact O-CB 3.43Å; C74-C78 PolarHBondContact O-N 2.92Å; C74-C78 PolarHBondContact O-SG 3.5Å; C74-C78 VanDerWaalsContact O-SG 3.41Å; Q75-C78 PolarHBondContact O-N 2.88Å; C78-R80 PolarHBondContact O-N 2.75Å; C78-I81 HydrophobicContact CB-CD1 4.3Å; C78-I81 WeakPolarHBondContact O-CB 3.31Å; C78-I81 PolarHBondContact O-N 2.86Å
79	F	84.3	Confident	92	Very high	120 Å²	120	73.3 Å²	73.3	53%	0.526	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-21	-176.7	75.7	-78.1	0	0	0	115	Q75 K76 I81	Q75-F79 WeakPolarHBondContact O-CA 2.98Å; Q75-F79 VanDerWaalsContact O-CB 3.24Å; Q75-F79 WeakPolarHBondContact O-CB 2.99Å; Q75-F79 PolarHBondContact O-N 3.4Å; K76-F79 WeakPolarHBondContact O-CD1 3.04Å; K76-F79 WeakPolarHBondContact O-CE1 3.37Å; F79-I81 VanDerWaalsContact C-N 3.29Å
80	R	81.7	Confident	92	Very high	150 Å²	150	69.1 Å²	69.1	57%	0.566	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.6	-4.8	179.7	-64.1	-170.3	178.7	122.4	-4.8	113.4	C78 P82	C78-R80 PolarHBondContact O-N 2.75Å; R80-P82 WeakPolarHBondContact O-CD 3.31Å
81	I	85.1	Confident	91.9	Very high	21 Å²	21	70.8 Å²	70.8	11%	0.108	33%	0.331	C	S	.	.	S	Bend	trans	-67.2	121.3	172.5	-69.3	178.4	0	0	0	107.9	C28 L29 Y46 C78 F79 M111	C28-I81 HydrophobicContact CB-CD1 3.41Å; C28-I81 VanDerWaalsContact CB-CD1 3.41Å; L29-I81 HydrophobicContact CD2-CD1 3.88Å; Y46-I81 HydrophobicContact CD1-CD1 3.69Å; Y46-I81 HydrophobicContact CE1-CB 4.34Å; Y46-I81 HydrophobicContact CE1-CD1 3.34Å; Y46-I81 HydrophobicContact CE1-CG1 4.41Å; Y46-I81 HydrophobicContact CE1-CG2 4.12Å; Y46-I81 HydrophobicContact CG-CD1 4.45Å; Y46-I81 WeakPolarHBondContact OH-CG2 3.25Å; C78-I81 HydrophobicContact CB-CD1 4.3Å; C78-I81 WeakPolarHBondContact O-CB 3.31Å; C78-I81 PolarHBondContact O-N 2.86Å; F79-I81 VanDerWaalsContact C-N 3.29Å; I81-M111 HydrophobicContact CG2-CE 4.01Å
82	P	85.7	Confident	91.9	Very high	44 Å²	44	71.7 Å²	71.7	29%	0.286	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-62.1	152.1	-179.4	25.3	-33.6	0	0	0	111.1	Q51 R80 I84 M111 P140	Q51-P82 PolarHBondContact NE2-O 2.97Å; R80-P82 WeakPolarHBondContact O-CD 3.31Å; P82-I84 HydrophobicContact CB-CD1 4.33Å; P82-I84 HydrophobicContact CG-CD1 4.01Å; P82-I84 HydrophobicContact CG-CG1 4.48Å; P82-I84 PolarHBondContact O-N 3.16Å; P82-M111 HydrophobicContact CG-CE 4.14Å; P82-M111 HydrophobicContact CG-SD 4.49Å; P82-P140 HydrophobicContact CB-CB 3.73Å; P82-P140 HydrophobicContact CB-CG 4.04Å; P82-P140 HydrophobicContact CG-CB 3.99Å; P82-P140 HydrophobicContact CG-CG 3.72Å
83	K	87.5	Confident	92	Very high	150 Å²	150	68.4 Å²	68.4	65%	0.652	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-72.4	118	169.4	-65.8	-58	-172.3	-175.8	0	109.1	Q51	Q51-K83 PolarHBondContact O-NZ 3.23Å
84	I	91.4	Very high	92.1	Very high	3 Å²	3	68.1 Å²	68.1	2%	0.015	33%	0.326	C	S	.	.			trans	-108.3	146.9	-179	-60.8	-57.2	0	0	0	107.8	P82 C88 R89 F106 M108 P140	P82-I84 HydrophobicContact CB-CD1 4.33Å; P82-I84 HydrophobicContact CG-CD1 4.01Å; P82-I84 HydrophobicContact CG-CG1 4.48Å; P82-I84 PolarHBondContact O-N 3.16Å; I84-C88 HydrophobicContact CG2-CB 3.51Å; I84-R89 HydrophobicContact CB-CG 4.17Å; I84-R89 HydrophobicContact CG2-CG 4.03Å; I84-R89 PolarHBondContact O-NE 2.81Å; I84-R89 PolarHBondContact O-NH2 3.41Å; I84-F106 HydrophobicContact CD1-CE1 4.1Å; I84-F106 HydrophobicContact CD1-CZ 4.16Å; I84-F106 HydrophobicContact CG1-CE1 4.21Å; I84-F106 HydrophobicContact CG2-CD1 4.1Å; I84-F106 HydrophobicContact CG2-CE1 3.99Å; I84-M108 HydrophobicContact CB-SD 4.06Å; I84-M108 HydrophobicContact CG1-CE 4.2Å; I84-M108 HydrophobicContact CG1-SD 3.81Å; I84-M108 HydrophobicContact CG2-SD 3.94Å; I84-P140 HydrophobicContact CD1-CB 4.32Å; I84-P140 HydrophobicContact CD1-CG 3.69Å
85	P	94.1	Very high	92.1	Very high	44 Å²	44	69.7 Å²	69.7	29%	0.286	34%	0.342	S	S	.	.			trans	-58.9	144.6	173.4	-26.7	38	0	0	0	112.4	I87 C88 R89 Y137	P85-I87 VanDerWaalsContact C-N 3.28Å; P85-I87 PolarHBondContact O-N 3.44Å; P85-C88 WeakPolarHBondContact O-CB 3Å; P85-C88 PolarHBondContact O-N 2.87Å; P85-R89 WeakPolarHBondContact O-CG 3.42Å; P85-Y137 HydrophobicContact CB-CD1 4.34Å; P85-Y137 HydrophobicContact CB-CE1 3.69Å; P85-Y137 HydrophobicContact CG-CD1 4.47Å; P85-Y137 HydrophobicContact CG-CE1 4.23Å; P85-Y137 WeakPolarHBondContact CG-O 3.01Å
86	Q	93.8	Very high	92.3	Very high	99 Å²	99	73.1 Å²	73.1	46%	0.463	36%	0.357	S	S	.	.	G	3₁₀ helix	trans	-53.3	-44.1	-174.8	-70.8	-73.5	-0.4	0	0	113	V49 C88 R89	V49-Q86 PolarHBondContact O-OE1 3.17Å; Q86-C88 PolarHBondContact O-N 2.87Å; Q86-R89 WeakPolarHBondContact O-CB 3.36Å; Q86-R89 PolarHBondContact O-N 3.24Å
87	I	95.9	Very high	92.8	Very high	54 Å²	54	67.6 Å²	67.6	28%	0.277	34%	0.339	S	S	.	.	G	3₁₀ helix	trans	-55.1	-40.4	179.4	-67.5	176.9	0	0	0	111.7	P85 R89 F90 S125 N126 F128 Y137	P85-I87 VanDerWaalsContact C-N 3.28Å; P85-I87 PolarHBondContact O-N 3.44Å; I87-R89 PolarHBondContact O-N 2.87Å; I87-F90 WeakPolarHBondContact O-CD2 3.34Å; I87-S125 VanDerWaalsContact CG2-C 3.43Å; I87-S125 WeakPolarHBondContact CG2-O 3Å; I87-N126 WeakPolarHBondContact O-CB 3.03Å; I87-F128 HydrophobicContact CG2-CZ 4.49Å; I87-Y137 HydrophobicContact CB-CE1 4.08Å; I87-Y137 HydrophobicContact CD1-CE1 4.35Å; I87-Y137 HydrophobicContact CG2-CE1 4.46Å
88	C	96.9	Very high	93.1	Very high	0 Å²	0	77.7 Å²	77.7	0%	0	37%	0.374	C	S	.	.	G	3₁₀ helix	trans	-75.8	-4	-177.6	-54.2	0	0	0	0	114	I84 P85 Q86 F106 N126 Y137 C138	I84-C88 HydrophobicContact CG2-CB 3.51Å; P85-C88 WeakPolarHBondContact O-CB 3Å; P85-C88 PolarHBondContact O-N 2.87Å; Q86-C88 PolarHBondContact O-N 2.87Å; C88-F106 HydrophobicContact CB-CB 3.86Å; C88-F106 HydrophobicContact CB-CD1 4.07Å; C88-F106 HydrophobicContact CB-CG 4.17Å; C88-F106 WeakPolarHBondContact O-CD1 3.2Å; C88-N126 PolarHBondContact O-ND2 2.03Å; C88-Y137 WeakPolarHBondContact SG-CD1 3.5Å; C88-C138 HydrophobicContact CB-CB 3.62Å; C88-C138 WeakPolarHBondContact CB-SG 3.3Å; C88-C138 WeakPolarHBondContact SG-CA 3.27Å; C88-C138 WeakPolarHBondContact SG-CB 3.31Å; C88-C138 CovalentContact SG-SG 2.03Å; C88-C138 PolarHBondContact SG-SG 3.31Å
89	R	95.2	Very high	93.4	Very high	23 Å²	23	78.9 Å²	78.9	9%	0.087	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-98	-10.7	-177.2	-53.9	168.5	-168.2	173.6	7.3	112.8	I48 V49 Q51 I84 P85 Q86 I87 M108	I48-R89 WeakPolarHBondContact O-CD 3.31Å; V49-R89 WeakPolarHBondContact O-CD 3.35Å; V49-R89 PolarHBondContact O-NH1 2.88Å; Q51-R89 VanDerWaalsContact CD-NE 3.34Å; Q51-R89 VanDerWaalsContact OE1-CZ 3.23Å; I84-R89 HydrophobicContact CB-CG 4.17Å; I84-R89 HydrophobicContact CG2-CG 4.03Å; I84-R89 PolarHBondContact O-NE 2.81Å; I84-R89 PolarHBondContact O-NH2 3.41Å; P85-R89 WeakPolarHBondContact O-CG 3.42Å; Q86-R89 WeakPolarHBondContact O-CB 3.36Å; Q86-R89 PolarHBondContact O-N 3.24Å; I87-R89 PolarHBondContact O-N 2.87Å; R89-M108 HydrophobicContact CB-CG 4.32Å; R89-M108 HydrophobicContact CB-SD 4.45Å; R89-M108 HydrophobicContact CG-CE 4.43Å; R89-M108 HydrophobicContact CG-SD 4.05Å
90	F	95.9	Very high	94	Very high	75 Å²	75	80.2 Å²	80.2	33%	0.329	40%	0.398	S	S	.	.	S	Bend	trans	-70	149.9	175.2	-61.1	-46.7	0	0	0	110.6	V49 I87 N124 N126	V49-F90 HydrophobicContact CG1-CD1 3.99Å; V49-F90 HydrophobicContact CG1-CE1 3.84Å; I87-F90 WeakPolarHBondContact O-CD2 3.34Å; F90-N124 HydrophobicContact CB-CB 4.35Å; F90-N124 HydrophobicContact CD2-CB 4.38Å; F90-N126 HydrophobicContact CB-CB 4.13Å; F90-N126 PolarHBondContact O-ND2 2.97Å
91	P	95.3	Very high	94.8	Very high	81 Å²	81	78.2 Å²	78.2	53%	0.526	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-64.7	164	174.9	29.5	-35.9	0	0	0	110.8	E93 N124	P91-E93 PolarHBondContact O-N 2.88Å; P91-N124 PolarHBondContact O-ND2 3.21Å; P91-N124 PolarHBondContact O-OD1 2.85Å
92	K	96.4	Very high	95.4	Very high	117 Å²	117	81.1 Å²	81.1	51%	0.509	42%	0.416	S	S	.	.	P	Polyproline II helix	trans	-63.7	135.5	165.7	68.1	-175.7	179.9	-171.9	0	109.8	F105 F116	K92-F105 HydrophobicContact CB-CB 4.47Å; K92-F105 HydrophobicContact CB-CD1 3.82Å; K92-F105 HydrophobicContact CB-CD2 3.68Å; K92-F105 HydrophobicContact CB-CE1 3.93Å; K92-F105 HydrophobicContact CB-CE2 3.77Å; K92-F105 HydrophobicContact CB-CG 3.71Å; K92-F105 HydrophobicContact CB-CZ 3.92Å; K92-F105 HydrophobicContact CD-CD1 4.36Å; K92-F105 HydrophobicContact CD-CE1 3.71Å; K92-F105 HydrophobicContact CD-CE2 4.34Å; K92-F105 HydrophobicContact CD-CZ 3.71Å; K92-F105 HydrophobicContact CG-CE1 4.37Å; K92-F105 HydrophobicContact CG-CE2 4.3Å; K92-F105 HydrophobicContact CG-CZ 4.17Å; K92-F116 HydrophobicContact CB-CD2 4.33Å; K92-F116 HydrophobicContact CB-CG 4.43Å; K92-F116 HydrophobicContact CD-CB 4.31Å
93	E	97.6	Very high	96	Very high	81 Å²	81	82.3 Å²	82.3	38%	0.379	42%	0.415	S	S	.	.			trans	-129.6	114.8	174.5	-78.9	177.6	-148.2	0	0	110.8	P91 G95 F116 G123 N124	P91-E93 PolarHBondContact O-N 2.88Å; E93-G95 VanDerWaalsContact C-N 3.29Å; E93-G95 PolarHBondContact O-N 2.88Å; E93-F116 WeakPolarHBondContact O-CE2 3.23Å; E93-G123 VanDerWaalsContact OE2-C 3.25Å; E93-G123 WeakPolarHBondContact OE2-CA 3.46Å; E93-N124 VanDerWaalsContact CG-ND2 3.31Å; E93-N124 WeakPolarHBondContact CG-ND2 3.35Å; E93-N124 PolarHBondContact OE1-ND2 3.07Å; E93-N124 PolarHBondContact OE2-N 2.79Å
94	V	97.9	Very high	96.5	Very high	74 Å²	74	78.1 Å²	78.1	45%	0.448	40%	0.395	S	S	.	.			trans	-68.3	-31.7	178.5	177.5	0	0	0	0	111.2	S117 Y118 G119	V94-S117 WeakPolarHBondContact CG1-O 3.45Å; V94-Y118 WeakPolarHBondContact O-CD2 3.34Å; V94-G119 WeakPolarHBondContact O-CA 3.39Å; V94-G119 PolarHBondContact O-N 2.99Å
95	G	96.8	Very high	96.9	Very high	33 Å²	33	78.3 Å²	78.3	34%	0.34	40%	0.396	S	S	.	.			trans	80.3	-179.8	-171.1	0	0	0	0	0	112.6	E93 C121	E93-G95 VanDerWaalsContact C-N 3.29Å; E93-G95 PolarHBondContact O-N 2.88Å; G95-C121 WeakPolarHBondContact CA-O 3.21Å
96	H	97.5	Very high	97	Very high	161 Å²	161	76.3 Å²	76.3	75%	0.745	38%	0.383	S	S	*	.	S	Bend	trans	-97.5	-8	-174	51.3	73.8	0	0	0	114	C121	H96-C121 PolarHBondContact CE1-SG 3.24Å; H96-C121 PolarHBondContact ND1-SG 2.89Å
97	C	98.2	Very high	97.1	Very high	53 Å²	53	73 Å²	73	36%	0.358	37%	0.368	S	S	.	.	S	Bend	trans	-77.7	162	170.8	-71.9	0	0	0	0	111.7	G119 C121	C97-G119 CarbonylContact C-O 3.56Å; C97-G119 VanDerWaalsContact C-O 3.3Å; C97-G119 WeakPolarHBondContact CB-O 3.18Å; C97-G119 VanDerWaalsContact O-CA 3.25Å; C97-G119 WeakPolarHBondContact O-CA 3.29Å; C97-C121 HydrophobicContact CB-CB 3.93Å; C97-C121 WeakPolarHBondContact CB-SG 3.31Å; C97-C121 PolarHBondContact N-SG 3.33Å; C97-C121 WeakPolarHBondContact SG-CB 3.03Å; C97-C121 CovalentContact SG-SG 2.01Å; C97-C121 PolarHBondContact SG-SG 3.15Å
98	R	97.3	Very high	96.9	Very high	246 Å²	246	70.8 Å²	70.8	93%	0.928	36%	0.357	S	S	*	.			trans	-110.4	18.7	-172.7	-59	-177.2	-177	173.6	0.5	114.4
99	G	96.8	Very high	96.5	Very high	27 Å²	27	74.8 Å²	74.8	28%	0.278	38%	0.382	S	S	.	.			trans	-67.4	162.8	170.4	0	0	0	0	0	111.8	G119	G99-G119 VanDerWaalsContact CA-O 3.31Å; G99-G119 WeakPolarHBondContact CA-O 3.31Å; G99-G119 PolarHBondContact N-O 3.05Å; G99-G119 WeakPolarHBondContact O-CA 3.46Å
100	L	96.9	Very high	96.3	Very high	149 Å²	149	76.6 Å²	76.6	78%	0.78	40%	0.395	S	S	*	.			trans	-123.9	67.5	179.6	-66.6	176.2	0	0	0	109.8
101	F	97.8	Very high	95.9	Very high	107 Å²	107	75.7 Å²	75.7	47%	0.469	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	115.7	179.3	-58.4	-79.6	0	0	0	109.8	R103 Y118	F101-R103 PolarHBondContact O-N 3.19Å; F101-Y118 HydrophobicContact CB-CD1 4.4Å; F101-Y118 HydrophobicContact CD2-CD1 4.49Å; F101-Y118 WeakPolarHBondContact CD2-O 3.26Å; F101-Y118 PolarHBondContact N-O 2.82Å; F101-Y118 PolarHBondContact O-N 3.32Å
102	S	98.3	Very high	95.9	Very high	83 Å²	83	77.6 Å²	77.6	58%	0.58	39%	0.394	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	123	172.7	-168.9	0	0	0	0	109.5
103	R	98.4	Very high	95.9	Very high	69 Å²	69	72.7 Å²	72.7	26%	0.26	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	167.1	179.2	-66.3	-63.8	177.1	144.1	-5.9	109.3	F101 S115 F116 R127 F128	F101-R103 PolarHBondContact O-N 3.19Å; R103-S115 CarbonylContact O-C 3.3Å; R103-S115 VanDerWaalsContact O-CA 3.23Å; R103-S115 WeakPolarHBondContact O-CA 3.49Å; R103-F116 HydrophobicContact CB-CD1 4.08Å; R103-F116 HydrophobicContact CB-CE1 3.6Å; R103-F116 HydrophobicContact CB-CZ 4.12Å; R103-F116 PolarHBondContact N-O 2.03Å; R103-F116 WeakPolarHBondContact O-CD1 3.1Å; R103-F116 PolarHBondContact O-N 3.32Å; R103-R127 HydrophobicContact CB-CG 3.93Å; R103-R127 HydrophobicContact CG-CG 3.94Å; R103-F128 WeakPolarHBondContact CA-O 3.16Å; R103-F128 WeakPolarHBondContact CB-O 3.33Å; R103-F128 WeakPolarHBondContact CD-O 3.33Å
104	Y	98.6	Very high	96	Very high	61 Å²	61	71.5 Å²	71.5	24%	0.239	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	147.1	175.9	-68.3	-95.7	0	0	0	110.8	E114 R127 F128 L131	Y104-E114 CarbonylContact C-O 3.32Å; Y104-E114 VanDerWaalsContact CA-O 3.28Å; Y104-E114 WeakPolarHBondContact CA-O 3.42Å; Y104-R127 CarbonylContact O-C 3.6Å; Y104-R127 WeakPolarHBondContact O-CA 3.32Å; Y104-F128 PolarHBondContact N-O 3.42Å; Y104-F128 PolarHBondContact O-N 3.12Å; Y104-L131 HydrophobicContact CD1-CB 4.02Å; Y104-L131 HydrophobicContact CD1-CD1 3.94Å; Y104-L131 HydrophobicContact CE1-CB 3.71Å; Y104-L131 HydrophobicContact CE1-CD1 4.06Å; Y104-L131 HydrophobicContact CE1-CG 4.36Å; Y104-L131 HydrophobicContact CE2-CB 4.29Å; Y104-L131 HydrophobicContact CG-CB 4.41Å
105	F	98.5	Very high	96	Very high	8 Å²	8	71.6 Å²	71.6	4%	0.035	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	153	169.9	80.1	-72.6	0	0	0	109.1	K92 N107 C113 E114 F116 N126	K92-F105 HydrophobicContact CB-CB 4.47Å; K92-F105 HydrophobicContact CB-CD1 3.82Å; K92-F105 HydrophobicContact CB-CD2 3.68Å; K92-F105 HydrophobicContact CB-CE1 3.93Å; K92-F105 HydrophobicContact CB-CE2 3.77Å; K92-F105 HydrophobicContact CB-CG 3.71Å; K92-F105 HydrophobicContact CB-CZ 3.92Å; K92-F105 HydrophobicContact CD-CD1 4.36Å; K92-F105 HydrophobicContact CD-CE1 3.71Å; K92-F105 HydrophobicContact CD-CE2 4.34Å; K92-F105 HydrophobicContact CD-CZ 3.71Å; K92-F105 HydrophobicContact CG-CE1 4.37Å; K92-F105 HydrophobicContact CG-CE2 4.3Å; K92-F105 HydrophobicContact CG-CZ 4.17Å; F105-N107 HydrophobicContact CD2-CB 4.47Å; F105-N107 HydrophobicContact CE2-CB 3.63Å; F105-N107 HydrophobicContact CZ-CB 3.8Å; F105-C113 CarbonylContact O-C 3.56Å; F105-C113 WeakPolarHBondContact O-CA 3.46Å; F105-E114 HydrophobicContact CD1-CB 4.28Å; F105-E114 VanDerWaalsContact CD1-O 3.32Å; F105-E114 WeakPolarHBondContact CD1-O 3.43Å; F105-E114 HydrophobicContact CE1-CB 3.66Å; F105-E114 HydrophobicContact CZ-CB 4.18Å; F105-E114 PolarHBondContact N-O 3.15Å; F105-E114 PolarHBondContact O-N 3.12Å; F105-F116 HydrophobicContact CB-CD1 4.13Å; F105-F116 HydrophobicContact CB-CE1 3.98Å; F105-F116 HydrophobicContact CD1-CB 4.21Å; F105-F116 AromaticContact CD1-CD1 3.74Å; F105-F116 HydrophobicContact CD1-CD1 3.74Å; F105-F116 HydrophobicContact CD1-CE1 4.44Å; F105-F116 HydrophobicContact CD1-CG 4.17Å; F105-F116 HydrophobicContact CE1-CB 4.4Å; F105-F116 HydrophobicContact CG-CD1 4.33Å; F105-N126 WeakPolarHBondContact CB-O 3.12Å
106	F	97.6	Very high	96	Very high	2 Å²	2	70.8 Å²	70.8	1%	0.009	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	118	172.5	-171.6	-99.9	0	0	0	110.3	I84 C88 M108 M111 N126 C138	I84-F106 HydrophobicContact CD1-CE1 4.1Å; I84-F106 HydrophobicContact CD1-CZ 4.16Å; I84-F106 HydrophobicContact CG1-CE1 4.21Å; I84-F106 HydrophobicContact CG2-CD1 4.1Å; I84-F106 HydrophobicContact CG2-CE1 3.99Å; C88-F106 HydrophobicContact CB-CB 3.86Å; C88-F106 HydrophobicContact CB-CD1 4.07Å; C88-F106 HydrophobicContact CB-CG 4.17Å; C88-F106 WeakPolarHBondContact O-CD1 3.2Å; F106-M108 HydrophobicContact CD1-CG 4.39Å; F106-M108 HydrophobicContact CD1-SD 4Å; F106-M108 HydrophobicContact CE1-SD 3.71Å; F106-M111 HydrophobicContact CE1-SD 4.14Å; F106-M111 HydrophobicContact CZ-CB 4.45Å; F106-M111 HydrophobicContact CZ-SD 4.1Å; F106-N126 PolarHBondContact N-OD1 3.22Å; F106-N126 PolarHBondContact O-ND2 3.2Å; F106-C138 HydrophobicContact CB-CB 3.62Å; F106-C138 HydrophobicContact CD1-CB 4.32Å; F106-C138 HydrophobicContact CD2-CB 3.47Å; F106-C138 VanDerWaalsContact CD2-CB 3.47Å; F106-C138 HydrophobicContact CE2-CB 4.19Å; F106-C138 HydrophobicContact CG-CB 3.54Å
107	N	95.1	Very high	96.1	Very high	29 Å²	29	66.3 Å²	66.3	16%	0.155	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	109.6	176.8	-176.1	-21.5	0	0	0	109.5	F105 T109 T110 M111 Q112 E114	F105-N107 HydrophobicContact CD2-CB 4.47Å; F105-N107 HydrophobicContact CE2-CB 3.63Å; F105-N107 HydrophobicContact CZ-CB 3.8Å; N107-T109 PolarHBondContact O-N 3.36Å; N107-T109 WeakPolarHBondContact OD1-CA 3.49Å; N107-T109 VanDerWaalsContact OD1-CB 3.29Å; N107-T109 WeakPolarHBondContact OD1-CB 3.49Å; N107-T109 PolarHBondContact OD1-N 2.97Å; N107-T110 VanDerWaalsContact CB-OG1 3.29Å; N107-T110 WeakPolarHBondContact CB-OG1 3.21Å; N107-T110 VanDerWaalsContact CG-OG1 3.31Å; N107-T110 PolarHBondContact O-N 2.78Å; N107-T110 PolarHBondContact OD1-N 3.47Å; N107-M111 WeakPolarHBondContact O-CA 3.48Å; N107-M111 PolarHBondContact O-N 3.29Å; N107-Q112 PolarHBondContact N-O 3.14Å; N107-Q112 PolarHBondContact O-N 2.98Å; N107-E114 HydrophobicContact CB-CG 4.29Å; N107-E114 VanDerWaalsContact ND2-CD 3.26Å; N107-E114 PolarHBondContact ND2-OE1 3.41Å; N107-E114 PolarHBondContact ND2-OE2 2.9Å
108	M	91.4	Very high	96.1	Very high	7 Å²	7	64.8 Å²	64.8	3%	0.034	33%	0.334	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-24.9	179.1	-77.2	-67.5	-65.4	0	0	113.6	I48 I84 R89 F106 M111	I48-M108 HydrophobicContact CB-CE 4.19Å; I48-M108 HydrophobicContact CD1-CB 3.96Å; I84-M108 HydrophobicContact CB-SD 4.06Å; I84-M108 HydrophobicContact CG1-CE 4.2Å; I84-M108 HydrophobicContact CG1-SD 3.81Å; I84-M108 HydrophobicContact CG2-SD 3.94Å; R89-M108 HydrophobicContact CB-CG 4.32Å; R89-M108 HydrophobicContact CB-SD 4.45Å; R89-M108 HydrophobicContact CG-CE 4.43Å; R89-M108 HydrophobicContact CG-SD 4.05Å; F106-M108 HydrophobicContact CD1-CG 4.39Å; F106-M108 HydrophobicContact CD1-SD 4Å; F106-M108 HydrophobicContact CE1-SD 3.71Å; M108-M111 HydrophobicContact CE-CE 4.45Å
109	T	89	Confident	96.1	Very high	85 Å²	85	53.1 Å²	53.1	52%	0.521	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-45	-179.4	-52.8	0	0	0	0	111.1	L29 N107	L29-T109 WeakPolarHBondContact CD1-O 3.01Å; N107-T109 PolarHBondContact O-N 3.36Å; N107-T109 WeakPolarHBondContact OD1-CA 3.49Å; N107-T109 VanDerWaalsContact OD1-CB 3.29Å; N107-T109 WeakPolarHBondContact OD1-CB 3.49Å; N107-T109 PolarHBondContact OD1-N 2.97Å
110	T	90.4	Very high	96.1	Very high	60 Å²	60	53.6 Å²	53.6	37%	0.368	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.8	-14	177.5	61.2	0	0	0	0	112.6	N107 Q112 E114	N107-T110 VanDerWaalsContact CB-OG1 3.29Å; N107-T110 WeakPolarHBondContact CB-OG1 3.21Å; N107-T110 VanDerWaalsContact CG-OG1 3.31Å; N107-T110 PolarHBondContact O-N 2.78Å; N107-T110 PolarHBondContact OD1-N 3.47Å; T110-Q112 VanDerWaalsContact C-N 3.27Å; T110-E114 VanDerWaalsContact CB-OE1 3.31Å; T110-E114 WeakPolarHBondContact CB-OE1 3.28Å; T110-E114 WeakPolarHBondContact CG2-OE1 3.29Å; T110-E114 PolarHBondContact OG1-OE1 2.89Å
111	M	88.6	Confident	96.1	Very high	57 Å²	57	48 Å²	48	28%	0.281	27%	0.268	S	S	.	.	T	Hydrogen-bonded Turn	trans	57.6	37.8	-172.4	-66.8	-73.7	-164.5	0	0	112.6	L29 I81 P82 F106 N107 M108	L29-M111 HydrophobicContact CD2-CE 4.32Å; I81-M111 HydrophobicContact CG2-CE 4.01Å; P82-M111 HydrophobicContact CG-CE 4.14Å; P82-M111 HydrophobicContact CG-SD 4.49Å; F106-M111 HydrophobicContact CE1-SD 4.14Å; F106-M111 HydrophobicContact CZ-CB 4.45Å; F106-M111 HydrophobicContact CZ-SD 4.1Å; N107-M111 WeakPolarHBondContact O-CA 3.48Å; N107-M111 PolarHBondContact O-N 3.29Å; M108-M111 HydrophobicContact CE-CE 4.45Å
112	Q	94	Very high	96.1	Very high	120 Å²	120	44.7 Å²	44.7	56%	0.561	27%	0.265	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-135.8	154.2	-175	-67.5	177.1	19	0	0	111.6	N107 T110	N107-Q112 PolarHBondContact N-O 3.14Å; N107-Q112 PolarHBondContact O-N 2.98Å; T110-Q112 VanDerWaalsContact C-N 3.27Å
113	C	97.6	Very high	95.9	Very high	15 Å²	15	42.3 Å²	42.3	10%	0.101	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.3	120	166.5	-74.2	0	0	0	0	109.4	F105 L131 C134 L135	F105-C113 CarbonylContact O-C 3.56Å; F105-C113 WeakPolarHBondContact O-CA 3.46Å; C113-L131 HydrophobicContact CB-CD1 3.45Å; C113-L131 VanDerWaalsContact CB-CD1 3.45Å; C113-C134 HydrophobicContact CB-CB 3.8Å; C113-C134 WeakPolarHBondContact CB-SG 3.38Å; C113-C134 WeakPolarHBondContact SG-CB 2.99Å; C113-C134 CovalentContact SG-SG 2.04Å; C113-C134 PolarHBondContact SG-SG 3.07Å; C113-L135 HydrophobicContact CB-CD2 4.05Å; C113-L135 HydrophobicContact CB-CG 4.37Å; C113-L135 PolarHBondContact SG-N 3.45Å
114	E	98.3	Very high	95.8	Very high	55 Å²	55	40.2 Å²	40.2	26%	0.257	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.8	-177.3	-70.5	172.9	-165.4	0	0	110.1	Y104 F105 N107 T110	Y104-E114 CarbonylContact C-O 3.32Å; Y104-E114 VanDerWaalsContact CA-O 3.28Å; Y104-E114 WeakPolarHBondContact CA-O 3.42Å; F105-E114 HydrophobicContact CD1-CB 4.28Å; F105-E114 VanDerWaalsContact CD1-O 3.32Å; F105-E114 WeakPolarHBondContact CD1-O 3.43Å; F105-E114 HydrophobicContact CE1-CB 3.66Å; F105-E114 HydrophobicContact CZ-CB 4.18Å; F105-E114 PolarHBondContact N-O 3.15Å; F105-E114 PolarHBondContact O-N 3.12Å; N107-E114 HydrophobicContact CB-CG 4.29Å; N107-E114 VanDerWaalsContact ND2-CD 3.26Å; N107-E114 PolarHBondContact ND2-OE1 3.41Å; N107-E114 PolarHBondContact ND2-OE2 2.9Å; T110-E114 VanDerWaalsContact CB-OE1 3.31Å; T110-E114 WeakPolarHBondContact CB-OE1 3.28Å; T110-E114 WeakPolarHBondContact CG2-OE1 3.29Å; T110-E114 PolarHBondContact OG1-OE1 2.89Å
115	S	98.1	Very high	95.8	Very high	76 Å²	76	40.9 Å²	40.9	53%	0.531	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	149	175.2	60	0	0	0	0	111.7	R103	R103-S115 CarbonylContact O-C 3.3Å; R103-S115 VanDerWaalsContact O-CA 3.23Å; R103-S115 WeakPolarHBondContact O-CA 3.49Å
116	F	98.1	Very high	95.7	Very high	17 Å²	17	40.5 Å²	40.5	8%	0.075	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	158	172.2	80.7	-70.5	0	0	0	111.3	K92 E93 R103 F105 R127	K92-F116 HydrophobicContact CB-CD2 4.33Å; K92-F116 HydrophobicContact CB-CG 4.43Å; K92-F116 HydrophobicContact CD-CB 4.31Å; E93-F116 WeakPolarHBondContact O-CE2 3.23Å; R103-F116 HydrophobicContact CB-CD1 4.08Å; R103-F116 HydrophobicContact CB-CE1 3.6Å; R103-F116 HydrophobicContact CB-CZ 4.12Å; R103-F116 PolarHBondContact N-O 2.03Å; R103-F116 WeakPolarHBondContact O-CD1 3.1Å; R103-F116 PolarHBondContact O-N 3.32Å; F105-F116 HydrophobicContact CB-CD1 4.13Å; F105-F116 HydrophobicContact CB-CE1 3.98Å; F105-F116 HydrophobicContact CD1-CB 4.21Å; F105-F116 AromaticContact CD1-CD1 3.74Å; F105-F116 HydrophobicContact CD1-CD1 3.74Å; F105-F116 HydrophobicContact CD1-CE1 4.44Å; F105-F116 HydrophobicContact CD1-CG 4.17Å; F105-F116 HydrophobicContact CE1-CB 4.4Å; F105-F116 HydrophobicContact CG-CD1 4.33Å; F116-R127 HydrophobicContact CE1-CG 4.2Å; F116-R127 HydrophobicContact CZ-CB 4.27Å; F116-R127 HydrophobicContact CZ-CG 3.9Å
117	S	98.3	Very high	95.8	Very high	67 Å²	67	43.9 Å²	43.9	47%	0.469	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	110.5	174.5	-55.6	0	0	0	0	110.1	V94	V94-S117 WeakPolarHBondContact CG1-O 3.45Å
118	Y	98.3	Very high	95.9	Very high	20 Å²	20	43.8 Å²	43.8	8%	0.078	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	133.5	172.3	173.6	-122.2	0	0	0	110.4	V94 F101 G120 C121 G122	V94-Y118 WeakPolarHBondContact O-CD2 3.34Å; F101-Y118 HydrophobicContact CB-CD1 4.4Å; F101-Y118 HydrophobicContact CD2-CD1 4.49Å; F101-Y118 WeakPolarHBondContact CD2-O 3.26Å; F101-Y118 PolarHBondContact N-O 2.82Å; F101-Y118 PolarHBondContact O-N 3.32Å; Y118-G120 VanDerWaalsContact CE1-C 3.41Å; Y118-G120 VanDerWaalsContact CZ-C 3.44Å; Y118-G120 PolarHBondContact O-N 2.92Å; Y118-G120 PolarHBondContact OH-O 3.23Å; Y118-C121 WeakPolarHBondContact OH-CA 3.36Å; Y118-C121 PolarHBondContact OH-N 3.19Å; Y118-G122 PolarHBondContact OH-N 2.78Å; Y118-G122 PolarHBondContact OH-O 3.41Å; Y118-G122 VanDerWaalsContact OH-O 3.13Å
119	G	98	Very high	96.2	Very high	2 Å²	2	50.1 Å²	50.1	2%	0.021	30%	0.3	C	S	.	.			trans	-68.2	-13.8	-177.6	0	0	0	0	0	114.7	V94 C97 G99	V94-G119 WeakPolarHBondContact O-CA 3.39Å; V94-G119 PolarHBondContact O-N 2.99Å; C97-G119 CarbonylContact C-O 3.56Å; C97-G119 VanDerWaalsContact C-O 3.3Å; C97-G119 WeakPolarHBondContact CB-O 3.18Å; C97-G119 VanDerWaalsContact O-CA 3.25Å; C97-G119 WeakPolarHBondContact O-CA 3.29Å; G99-G119 VanDerWaalsContact CA-O 3.31Å; G99-G119 WeakPolarHBondContact CA-O 3.31Å; G99-G119 PolarHBondContact N-O 3.05Å; G99-G119 WeakPolarHBondContact O-CA 3.46Å
120	G	96.8	Very high	96.7	Very high	36 Å²	36	49.2 Å²	49.2	37%	0.371	29%	0.292	S	S	.	.	S	Bend	trans	100.1	-13.8	178.6	0	0	0	0	0	114.9	Y118	Y118-G120 VanDerWaalsContact CE1-C 3.41Å; Y118-G120 VanDerWaalsContact CZ-C 3.44Å; Y118-G120 PolarHBondContact O-N 2.92Å; Y118-G120 PolarHBondContact OH-O 3.23Å
121	C	97.2	Very high	96.9	Very high	31 Å²	31	49.5 Å²	49.5	21%	0.209	29%	0.29	C	S	.	.	S	Bend	trans	-146.3	156.6	174.3	76.5	0	0	0	0	112.4	G95 H96 C97 Y118	G95-C121 WeakPolarHBondContact CA-O 3.21Å; H96-C121 PolarHBondContact CE1-SG 3.24Å; H96-C121 PolarHBondContact ND1-SG 2.89Å; C97-C121 HydrophobicContact CB-CB 3.93Å; C97-C121 WeakPolarHBondContact CB-SG 3.31Å; C97-C121 PolarHBondContact N-SG 3.33Å; C97-C121 WeakPolarHBondContact SG-CB 3.03Å; C97-C121 CovalentContact SG-SG 2.01Å; C97-C121 PolarHBondContact SG-SG 3.15Å; Y118-C121 WeakPolarHBondContact OH-CA 3.36Å; Y118-C121 PolarHBondContact OH-N 3.19Å
122	G	96.7	Very high	97.3	Very high	39 Å²	39	51 Å²	51	40%	0.402	30%	0.304	S	S	.	.			trans	72.2	-145.2	-178	0	0	0	0	0	113.3	Y118 R127	Y118-G122 PolarHBondContact OH-N 2.78Å; Y118-G122 PolarHBondContact OH-O 3.41Å; Y118-G122 VanDerWaalsContact OH-O 3.13Å; G122-R127 PolarHBondContact O-NH1 2.78Å; G122-R127 VanDerWaalsContact O-NH1 3.13Å
123	G	95.1	Very high	97.5	Very high	33 Å²	33	47 Å²	47	34%	0.34	29%	0.289	S	S	.	.			trans	69.5	-172.6	-177.9	0	0	0	0	0	113.8	E93	E93-G123 VanDerWaalsContact OE2-C 3.25Å; E93-G123 WeakPolarHBondContact OE2-CA 3.46Å
124	N	97.1	Very high	97.5	Very high	24 Å²	24	46.2 Å²	46.2	13%	0.128	28%	0.284	C	S	.	.			trans	-111	179.6	179.4	68.2	51.6	0	0	0	112.9	F90 P91 E93 N126 R127	F90-N124 HydrophobicContact CB-CB 4.35Å; F90-N124 HydrophobicContact CD2-CB 4.38Å; P91-N124 PolarHBondContact O-ND2 3.21Å; P91-N124 PolarHBondContact O-OD1 2.85Å; E93-N124 VanDerWaalsContact CG-ND2 3.31Å; E93-N124 WeakPolarHBondContact CG-ND2 3.35Å; E93-N124 PolarHBondContact OE1-ND2 3.07Å; E93-N124 PolarHBondContact OE2-N 2.79Å; N124-N126 VanDerWaalsContact C-N 3.31Å; N124-N126 PolarHBondContact O-N 3.35Å; N124-N126 WeakPolarHBondContact OD1-CB 2.94Å; N124-N126 PolarHBondContact OD1-N 2.76Å; N124-R127 PolarHBondContact O-NH1 2.87Å
125	S	96.9	Very high	97.3	Very high	75 Å²	75	47.1 Å²	47.1	52%	0.524	29%	0.291	S	S	.	.	S	Bend	trans	-76.5	-7.9	-175.3	-55.6	0	0	0	0	114.9	I87 R127	I87-S125 VanDerWaalsContact CG2-C 3.43Å; I87-S125 WeakPolarHBondContact CG2-O 3Å; S125-R127 PolarHBondContact O-N 2.93Å
126	N	98.2	Very high	97	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.302	C	S	.	.			trans	-75.2	63.1	173.5	-161.6	1.5	0	0	0	110.1	I87 C88 F90 F105 F106 N124 F128	I87-N126 WeakPolarHBondContact O-CB 3.03Å; C88-N126 PolarHBondContact O-ND2 2.03Å; F90-N126 HydrophobicContact CB-CB 4.13Å; F90-N126 PolarHBondContact O-ND2 2.97Å; F105-N126 WeakPolarHBondContact CB-O 3.12Å; F106-N126 PolarHBondContact N-OD1 3.22Å; F106-N126 PolarHBondContact O-ND2 3.2Å; N124-N126 VanDerWaalsContact C-N 3.31Å; N124-N126 PolarHBondContact O-N 3.35Å; N124-N126 WeakPolarHBondContact OD1-CB 2.94Å; N124-N126 PolarHBondContact OD1-N 2.76Å; N126-F128 WeakPolarHBondContact OD1-CE2 3.44Å
127	R	98.3	Very high	96.8	Very high	74 Å²	74	56 Å²	56	28%	0.279	32%	0.32	S	S	.	.			trans	-150.4	103.2	-171.9	-176.5	178.1	64.2	-122	5.7	109.5	R103 Y104 F116 G122 N124 S125	R103-R127 HydrophobicContact CB-CG 3.93Å; R103-R127 HydrophobicContact CG-CG 3.94Å; Y104-R127 CarbonylContact O-C 3.6Å; Y104-R127 WeakPolarHBondContact O-CA 3.32Å; F116-R127 HydrophobicContact CE1-CG 4.2Å; F116-R127 HydrophobicContact CZ-CB 4.27Å; F116-R127 HydrophobicContact CZ-CG 3.9Å; G122-R127 PolarHBondContact O-NH1 2.78Å; G122-R127 VanDerWaalsContact O-NH1 3.13Å; N124-R127 PolarHBondContact O-NH1 2.87Å; S125-R127 PolarHBondContact O-N 2.93Å
128	F	98.4	Very high	96.7	Very high	27 Å²	27	52.9 Å²	52.9	12%	0.118	30%	0.298	C	S	.	.	B	Isolated β-bridge	trans	-105.6	150.4	-179.9	-57.7	-86.8	0	0	0	109.8	I87 R103 Y104 N126 C134 Y137 C138	I87-F128 HydrophobicContact CG2-CZ 4.49Å; R103-F128 WeakPolarHBondContact CA-O 3.16Å; R103-F128 WeakPolarHBondContact CB-O 3.33Å; R103-F128 WeakPolarHBondContact CD-O 3.33Å; Y104-F128 PolarHBondContact N-O 3.42Å; Y104-F128 PolarHBondContact O-N 3.12Å; N126-F128 WeakPolarHBondContact OD1-CE2 3.44Å; F128-C134 HydrophobicContact CB-CB 3.75Å; F128-C134 HydrophobicContact CD1-CB 4.39Å; F128-C134 HydrophobicContact CD2-CB 3.64Å; F128-C134 HydrophobicContact CE2-CB 4.39Å; F128-C134 HydrophobicContact CG-CB 3.65Å; F128-Y137 AromaticContact CE1-CD1 3.91Å; F128-Y137 HydrophobicContact CE1-CD1 3.91Å; F128-Y137 AromaticContact CE1-CG 3.96Å; F128-Y137 HydrophobicContact CE1-CG 3.96Å; F128-Y137 AromaticContact CZ-CD1 3.75Å; F128-Y137 HydrophobicContact CZ-CD1 3.75Å; F128-Y137 HydrophobicContact CZ-CG 4.25Å; F128-C138 WeakPolarHBondContact CE2-SG 3.35Å; F128-C138 WeakPolarHBondContact CZ-SG 3.49Å
129	E	97.8	Very high	96.3	Very high	140 Å²	140	54.1 Å²	54.1	65%	0.654	31%	0.309	S	S	*	.	S	Bend	trans	-70.5	-39.2	179.8	-173.7	164.3	-177.3	0	0	111.7
130	D	97.6	Very high	95.5	Very high	66 Å²	66	56.4 Å²	56.4	35%	0.353	32%	0.324	S	S	.	.	S	Bend	trans	-139.7	167.9	-175.3	57.5	56.2	0	0	0	112	P132 S133 C134	D130-P132 VanDerWaalsContact OD1-CD 3.29Å; D130-P132 WeakPolarHBondContact OD1-CD 3.17Å; D130-S133 PolarHBondContact N-OG 2.75Å; D130-S133 PolarHBondContact O-OG 3.33Å; D130-S133 WeakPolarHBondContact OD1-CB 3.28Å; D130-S133 PolarHBondContact OD1-N 3.47Å; D130-S133 PolarHBondContact OD1-OG 2.85Å; D130-C134 PolarHBondContact O-N 3.39Å
131	L	96.3	Very high	94.5	Very high	65 Å²	65	63.4 Å²	63.4	34%	0.34	34%	0.344	S	S	.	.	H	α-helix	trans	-64.4	-44.9	179.6	179.2	62.7	0	0	0	112.5	Y104 C113 S133 C134 L135	Y104-L131 HydrophobicContact CD1-CB 4.02Å; Y104-L131 HydrophobicContact CD1-CD1 3.94Å; Y104-L131 HydrophobicContact CE1-CB 3.71Å; Y104-L131 HydrophobicContact CE1-CD1 4.06Å; Y104-L131 HydrophobicContact CE1-CG 4.36Å; Y104-L131 HydrophobicContact CE2-CB 4.29Å; Y104-L131 HydrophobicContact CG-CB 4.41Å; C113-L131 HydrophobicContact CB-CD1 3.45Å; C113-L131 VanDerWaalsContact CB-CD1 3.45Å; L131-S133 PolarHBondContact O-N 2.03Å; L131-C134 PolarHBondContact O-N 3.29Å; L131-L135 HydrophobicContact CD1-CD1 4.01Å; L131-L135 HydrophobicContact CD1-CD2 4.43Å; L131-L135 HydrophobicContact CD1-CG 3.94Å; L131-L135 HydrophobicContact CD2-CD1 4.45Å; L131-L135 HydrophobicContact CG-CD1 3.84Å; L131-L135 HydrophobicContact CG-CG 4.22Å; L131-L135 WeakPolarHBondContact O-CG 3.38Å; L131-L135 PolarHBondContact O-N 2.56Å
132	P	97	Very high	93.1	Very high	89 Å²	89	69.3 Å²	69.3	58%	0.578	37%	0.366	S	S	*	.	H	α-helix	trans	-55.7	-47.6	177.7	-28	36.4	0	0	0	114.1	D130 C134 L135 E136	D130-P132 VanDerWaalsContact OD1-CD 3.29Å; D130-P132 WeakPolarHBondContact OD1-CD 3.17Å; P132-C134 VanDerWaalsContact C-N 3.35Å; P132-C134 PolarHBondContact O-N 2.79Å; P132-L135 PolarHBondContact O-N 3.2Å; P132-E136 WeakPolarHBondContact O-CB 3.49Å; P132-E136 PolarHBondContact O-N 3.29Å
133	S	97.3	Very high	91.9	Very high	35 Å²	35	74.8 Å²	74.8	25%	0.245	39%	0.386	C	S	.	.	H	α-helix	trans	-63.4	-39.4	179.4	55.2	0	0	0	0	112.2	D130 L131 Y137	D130-S133 PolarHBondContact N-OG 2.75Å; D130-S133 PolarHBondContact O-OG 3.33Å; D130-S133 WeakPolarHBondContact OD1-CB 3.28Å; D130-S133 PolarHBondContact OD1-N 3.47Å; D130-S133 PolarHBondContact OD1-OG 2.85Å; L131-S133 PolarHBondContact O-N 2.03Å; S133-Y137 WeakPolarHBondContact O-CB 3.19Å; S133-Y137 PolarHBondContact O-N 2.85Å; S133-Y137 VanDerWaalsContact O-N 3.13Å
134	C	97.9	Very high	91.2	Very high	0 Å²	0	75.3 Å²	75.3	0%	0	38%	0.381	C	S	.	.	H	α-helix	trans	-61.9	-48.2	171.9	-178	0	0	0	0	111.7	C113 F128 D130 L131 P132 Y137 C138	C113-C134 HydrophobicContact CB-CB 3.8Å; C113-C134 WeakPolarHBondContact CB-SG 3.38Å; C113-C134 WeakPolarHBondContact SG-CB 2.99Å; C113-C134 CovalentContact SG-SG 2.04Å; C113-C134 PolarHBondContact SG-SG 3.07Å; F128-C134 HydrophobicContact CB-CB 3.75Å; F128-C134 HydrophobicContact CD1-CB 4.39Å; F128-C134 HydrophobicContact CD2-CB 3.64Å; F128-C134 HydrophobicContact CE2-CB 4.39Å; F128-C134 HydrophobicContact CG-CB 3.65Å; D130-C134 PolarHBondContact O-N 3.39Å; L131-C134 PolarHBondContact O-N 3.29Å; P132-C134 VanDerWaalsContact C-N 3.35Å; P132-C134 PolarHBondContact O-N 2.79Å; C134-Y137 PolarHBondContact O-N 3.36Å; C134-C138 VanDerWaalsContact O-CB 3.22Å; C134-C138 WeakPolarHBondContact O-CB 3.48Å; C134-C138 PolarHBondContact O-N 3.17Å
135	L	93.6	Very high	90.5	Very high	74 Å²	74	75.5 Å²	75.5	39%	0.387	39%	0.385	S	S	.	.	H	α-helix	trans	-65	-43.8	-177.8	-72.3	174.4	0	0	0	111.7	C113 L131 P132 Y137 S139	C113-L135 HydrophobicContact CB-CD2 4.05Å; C113-L135 HydrophobicContact CB-CG 4.37Å; C113-L135 PolarHBondContact SG-N 3.45Å; L131-L135 HydrophobicContact CD1-CD1 4.01Å; L131-L135 HydrophobicContact CD1-CD2 4.43Å; L131-L135 HydrophobicContact CD1-CG 3.94Å; L131-L135 HydrophobicContact CD2-CD1 4.45Å; L131-L135 HydrophobicContact CG-CD1 3.84Å; L131-L135 HydrophobicContact CG-CG 4.22Å; L131-L135 WeakPolarHBondContact O-CG 3.38Å; L131-L135 PolarHBondContact O-N 2.56Å; P132-L135 PolarHBondContact O-N 3.2Å; L135-Y137 VanDerWaalsContact C-N 3.32Å; L135-Y137 PolarHBondContact O-N 3.02Å; L135-S139 WeakPolarHBondContact CA-OG 3.3Å; L135-S139 WeakPolarHBondContact O-CB 3.35Å; L135-S139 PolarHBondContact O-N 2.83Å; L135-S139 PolarHBondContact O-OG 2.91Å
136	E	92	Very high	90	Very high	166 Å²	166	77.4 Å²	77.4	78%	0.776	39%	0.394	S	S	*	.	H	α-helix	trans	-59.9	-45.2	178.5	-177.9	177.7	-178.9	0	0	111.3	P132	P132-E136 WeakPolarHBondContact O-CB 3.49Å; P132-E136 PolarHBondContact O-N 3.29Å
137	Y	94.8	Very high	89.7	Confident	114 Å²	114	80.4 Å²	80.4	45%	0.447	41%	0.409	S	S	.	.	H	α-helix	trans	-77.6	-45.4	-176.4	-165.3	-93.7	0	0	0	112	P85 I87 C88 F128 S133 C134 L135	P85-Y137 HydrophobicContact CB-CD1 4.34Å; P85-Y137 HydrophobicContact CB-CE1 3.69Å; P85-Y137 HydrophobicContact CG-CD1 4.47Å; P85-Y137 HydrophobicContact CG-CE1 4.23Å; P85-Y137 WeakPolarHBondContact CG-O 3.01Å; I87-Y137 HydrophobicContact CB-CE1 4.08Å; I87-Y137 HydrophobicContact CD1-CE1 4.35Å; I87-Y137 HydrophobicContact CG2-CE1 4.46Å; C88-Y137 WeakPolarHBondContact SG-CD1 3.5Å; F128-Y137 AromaticContact CE1-CD1 3.91Å; F128-Y137 HydrophobicContact CE1-CD1 3.91Å; F128-Y137 AromaticContact CE1-CG 3.96Å; F128-Y137 HydrophobicContact CE1-CG 3.96Å; F128-Y137 AromaticContact CZ-CD1 3.75Å; F128-Y137 HydrophobicContact CZ-CD1 3.75Å; F128-Y137 HydrophobicContact CZ-CG 4.25Å; S133-Y137 WeakPolarHBondContact O-CB 3.19Å; S133-Y137 PolarHBondContact O-N 2.85Å; S133-Y137 VanDerWaalsContact O-N 3.13Å; C134-Y137 PolarHBondContact O-N 3.36Å; L135-Y137 VanDerWaalsContact C-N 3.32Å; L135-Y137 PolarHBondContact O-N 3.02Å
138	C	95.4	Very high	89.5	Confident	0 Å²	0	76.9 Å²	76.9	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-97.8	-20.7	-167.1	-61.8	0	0	0	0	115.6	C88 F106 F128 C134	C88-C138 HydrophobicContact CB-CB 3.62Å; C88-C138 WeakPolarHBondContact CB-SG 3.3Å; C88-C138 WeakPolarHBondContact SG-CA 3.27Å; C88-C138 WeakPolarHBondContact SG-CB 3.31Å; C88-C138 CovalentContact SG-SG 2.03Å; C88-C138 PolarHBondContact SG-SG 3.31Å; F106-C138 HydrophobicContact CB-CB 3.62Å; F106-C138 HydrophobicContact CD1-CB 4.32Å; F106-C138 HydrophobicContact CD2-CB 3.47Å; F106-C138 VanDerWaalsContact CD2-CB 3.47Å; F106-C138 HydrophobicContact CE2-CB 4.19Å; F106-C138 HydrophobicContact CG-CB 3.54Å; F128-C138 WeakPolarHBondContact CE2-SG 3.35Å; F128-C138 WeakPolarHBondContact CZ-SG 3.49Å; C134-C138 VanDerWaalsContact O-CB 3.22Å; C134-C138 WeakPolarHBondContact O-CB 3.48Å; C134-C138 PolarHBondContact O-N 3.17Å
139	S	89.6	Confident	89.2	Confident	46 Å²	46	80 Å²	80	32%	0.322	41%	0.414	S	S	.	.	S	Bend	trans	-64.2	135.3	-174.3	-62.8	0	0	0	0	111.2	L135 K141	L135-S139 WeakPolarHBondContact CA-OG 3.3Å; L135-S139 WeakPolarHBondContact O-CB 3.35Å; L135-S139 PolarHBondContact O-N 2.83Å; L135-S139 PolarHBondContact O-OG 2.91Å; S139-K141 PolarHBondContact O-N 3.35Å
140	P	82.1	Confident	89	Confident	50 Å²	50	75.9 Å²	75.9	33%	0.325	40%	0.396	S	S	.	.	P	Polyproline II helix	trans	-53.3	118	172	-18.6	23.5	0	0	0	110.9	P82 I84 K142	P82-P140 HydrophobicContact CB-CB 3.73Å; P82-P140 HydrophobicContact CB-CG 4.04Å; P82-P140 HydrophobicContact CG-CB 3.99Å; P82-P140 HydrophobicContact CG-CG 3.72Å; I84-P140 HydrophobicContact CD1-CB 4.32Å; I84-P140 HydrophobicContact CD1-CG 3.69Å; P140-K142 PolarHBondContact O-N 3.35Å; P140-K142 VanDerWaalsContact O-N 3.17Å
141	K	74.5	Confident	88.9	Confident	184 Å²	184	77.8 Å²	77.8	80%	0.8	41%	0.412	S	S	*	.	P	Polyproline II helix	trans	-66.8	117.8	170.3	-63.5	-171.4	-179	-175.3	0	107.9	S139 N143	S139-K141 PolarHBondContact O-N 3.35Å; K141-N143 PolarHBondContact O-N 3.33Å
142	K	68.7	Low	88.9	Confident	155 Å²	155	77.7 Å²	77.7	67%	0.674	41%	0.411	S	S	*	.			trans	-66.9	115.9	171	-70	-175.3	179.6	-177.1	0	107.7	P140 I144 V199	P140-K142 PolarHBondContact O-N 3.35Å; P140-K142 VanDerWaalsContact O-N 3.17Å; K142-I144 PolarHBondContact O-N 2.64Å; K142-V199 PolarHBondContact NZ-O 3.49Å; K142-V199 VanDerWaalsContact NZ-O 3.07Å
143	N	71.8	Confident	88.9	Confident	153 Å²	153	76.5 Å²	76.5	82%	0.818	40%	0.401	S	S	*	.			trans	-69.4	104	168.3	-78.1	-26.3	0	0	0	108.1	K141	K141-N143 PolarHBondContact O-N 3.33Å
144	I	78.9	Confident	88.9	Confident	45 Å²	45	80.6 Å²	80.6	23%	0.231	41%	0.414	C	S	.	.			trans	-71.3	132.9	174.7	-61.2	168.9	0	0	0	107.3	K142 V146 C148 L149 Y166	K142-I144 PolarHBondContact O-N 2.64Å; I144-V146 PolarHBondContact O-N 2.78Å; I144-C148 HydrophobicContact CG2-CB 3.58Å; I144-L149 HydrophobicContact CB-CD2 4.23Å; I144-L149 HydrophobicContact CG2-CD2 3.76Å; I144-L149 HydrophobicContact CG2-CG 4.34Å; I144-Y166 HydrophobicContact CD1-CE1 4.03Å; I144-Y166 HydrophobicContact CG2-CD1 4.38Å; I144-Y166 HydrophobicContact CG2-CE1 3.99Å
145	A	82.9	Confident	88.8	Confident	27 Å²	27	81.5 Å²	81.5	22%	0.223	42%	0.423	C	S	.	.			trans	-60.9	139	176.6	0	0	0	0	0	110	L147 C148	A145-L147 HydrophobicContact CB-CG 4.22Å; A145-L147 PolarHBondContact O-N 2.73Å; A145-L147 VanDerWaalsContact O-N 3.15Å; A145-C148 VanDerWaalsContact O-CB 3.26Å; A145-C148 WeakPolarHBondContact O-CB 3.49Å; A145-C148 PolarHBondContact O-N 3.06Å
146	V	86.1	Confident	89	Confident	116 Å²	116	87.3 Å²	87.3	70%	0.703	45%	0.445	S	S	*	.	G	3₁₀ helix	trans	-55	-38.9	-173.7	178.2	0	0	0	0	112.1	I144 C148 L149	I144-V146 PolarHBondContact O-N 2.78Å; V146-C148 PolarHBondContact O-N 2.81Å; V146-C148 VanDerWaalsContact O-N 3.15Å; V146-L149 VanDerWaalsContact O-CB 3.27Å; V146-L149 WeakPolarHBondContact O-CB 3.44Å; V146-L149 PolarHBondContact O-N 3.21Å
147	L	92	Very high	89.2	Confident	62 Å²	62	82.2 Å²	82.2	33%	0.325	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-57.6	-28.5	176.4	67.6	89.4	0	0	0	114	A145 L149 D150 N186 F188 V197	A145-L147 HydrophobicContact CB-CG 4.22Å; A145-L147 PolarHBondContact O-N 2.73Å; A145-L147 VanDerWaalsContact O-N 3.15Å; L147-L149 PolarHBondContact O-N 2.94Å; L147-D150 PolarHBondContact O-N 3.41Å; L147-N186 WeakPolarHBondContact O-CB 3.44Å; L147-N186 PolarHBondContact O-N 3.46Å; L147-F188 HydrophobicContact CD1-CE1 4.29Å; L147-F188 HydrophobicContact CD1-CE2 4.38Å; L147-F188 HydrophobicContact CD1-CZ 3.53Å; L147-V197 HydrophobicContact CD1-CG1 3.9Å; L147-V197 HydrophobicContact CD2-CG1 4.19Å; L147-V197 HydrophobicContact CG-CG1 4.47Å
148	C	94	Very high	89.3	Confident	0 Å²	0	82.8 Å²	82.8	0%	0	45%	0.448	C	S	.	.	G	3₁₀ helix	trans	-78	-9.6	179.3	-52.4	0	0	0	0	111.8	I144 A145 V146 Y166 N186 C198	I144-C148 HydrophobicContact CG2-CB 3.58Å; A145-C148 VanDerWaalsContact O-CB 3.26Å; A145-C148 WeakPolarHBondContact O-CB 3.49Å; A145-C148 PolarHBondContact O-N 3.06Å; V146-C148 PolarHBondContact O-N 2.81Å; V146-C148 VanDerWaalsContact O-N 3.15Å; C148-Y166 HydrophobicContact CB-CD1 3.84Å; C148-Y166 HydrophobicContact CB-CG 4.18Å; C148-Y166 WeakPolarHBondContact O-CD1 3.29Å; C148-N186 PolarHBondContact O-ND2 3.48Å; C148-C198 HydrophobicContact CB-CB 3.67Å; C148-C198 WeakPolarHBondContact CB-SG 3.44Å; C148-C198 WeakPolarHBondContact SG-CA 3.44Å; C148-C198 WeakPolarHBondContact SG-CB 3.42Å; C148-C198 CovalentContact SG-SG 2.02Å; C148-C198 PolarHBondContact SG-SG 2.59Å
149	L	92.7	Very high	89.3	Confident	94 Å²	94	85 Å²	85	49%	0.492	47%	0.466	S	S	.	.	G	3₁₀ helix	trans	-90.9	-11.6	177.1	-53.1	178.2	0	0	0	111.9	I144 V146 L147 T168	I144-L149 HydrophobicContact CB-CD2 4.23Å; I144-L149 HydrophobicContact CG2-CD2 3.76Å; I144-L149 HydrophobicContact CG2-CG 4.34Å; V146-L149 VanDerWaalsContact O-CB 3.27Å; V146-L149 WeakPolarHBondContact O-CB 3.44Å; V146-L149 PolarHBondContact O-N 3.21Å; L147-L149 PolarHBondContact O-N 2.94Å; L149-T168 HydrophobicContact CD2-CG2 4.05Å
150	D	94.8	Very high	89.7	Confident	52 Å²	52	87.7 Å²	87.7	28%	0.278	49%	0.485	S	S	.	.	S	Bend	trans	-61.5	139.3	175.3	-66.5	-11.2	0	0	0	109.9	L147 S185 N186	L147-D150 PolarHBondContact O-N 3.41Å; D150-S185 WeakPolarHBondContact OD2-CB 3.1Å; D150-S185 PolarHBondContact OD2-N 2.79Å; D150-S185 VanDerWaalsContact OD2-N 3.16Å; D150-S185 PolarHBondContact OD2-OG 2.89Å; D150-N186 HydrophobicContact CB-CB 4.01Å; D150-N186 WeakPolarHBondContact O-CB 3.37Å; D150-N186 PolarHBondContact O-ND2 2.92Å
151	P	95.1	Very high	90.4	Very high	106 Å²	106	88.2 Å²	88.2	69%	0.688	48%	0.484	S	S	*	.	P	Polyproline II helix	trans	-57.1	155.2	173.5	-23.8	33.6	0	0	0	112.4	D153 S184	P151-D153 PolarHBondContact O-N 2.8Å; P151-S184 PolarHBondContact O-OG 3.2Å
152	L	95.9	Very high	91.5	Very high	63 Å²	63	83.5 Å²	83.5	33%	0.33	47%	0.471	S	S	.	.	P	Polyproline II helix	trans	-61.5	123.6	168	179.7	157	0	0	0	109	K154 Y165 F176	L152-K154 HydrophobicContact CD2-CG 3.74Å; L152-Y165 HydrophobicContact CB-CD2 3.92Å; L152-Y165 HydrophobicContact CB-CE2 3.97Å; L152-Y165 HydrophobicContact CB-CG 4.39Å; L152-Y165 HydrophobicContact CD1-CD1 3.62Å; L152-Y165 HydrophobicContact CD1-CD2 4.03Å; L152-Y165 HydrophobicContact CD1-CE1 3.41Å; L152-Y165 VanDerWaalsContact CD1-CE1 3.41Å; L152-Y165 HydrophobicContact CD1-CE2 3.83Å; L152-Y165 HydrophobicContact CD1-CG 3.92Å; L152-Y165 HydrophobicContact CG-CD2 4.38Å; L152-Y165 HydrophobicContact CG-CE2 4.48Å; L152-Y165 HydrophobicContact CG-CG 4.38Å; L152-F176 HydrophobicContact CD1-CB 3.8Å; L152-F176 HydrophobicContact CD1-CD2 4.17Å; L152-F176 HydrophobicContact CD1-CG 3.96Å; L152-F176 HydrophobicContact CD2-CD2 4.19Å; L152-F176 HydrophobicContact CG-CD2 4.1Å; L152-F176 HydrophobicContact CG-CE2 4.48Å; L152-F176 HydrophobicContact CG-CG 4.33Å
153	D	97.3	Very high	92.9	Very high	65 Å²	65	78.8 Å²	78.8	35%	0.348	45%	0.449	S	S	.	.			trans	-126.9	114.4	175.2	-177.5	-2	0	0	0	109.5	P151 G155 G183	P151-D153 PolarHBondContact O-N 2.8Å; D153-G155 PolarHBondContact O-N 3.4Å; D153-G155 PolarHBondContact OD1-N 2.02Å; D153-G183 VanDerWaalsContact CG-CA 3.44Å; D153-G183 WeakPolarHBondContact OD2-CA 3.2Å; D153-G183 PolarHBondContact OD2-N 3.3Å
154	K	97.1	Very high	94.2	Very high	121 Å²	121	74 Å²	74	53%	0.526	42%	0.42	S	S	.	.			trans	-70.7	-15.5	178.7	-65.5	-171.7	180	179.8	0	112.3	L152 F176 Y178 T179	L152-K154 HydrophobicContact CD2-CG 3.74Å; K154-F176 HydrophobicContact CG-CD2 4.35Å; K154-Y178 VanDerWaalsContact O-CD2 3.25Å; K154-Y178 WeakPolarHBondContact O-CD2 3.03Å; K154-T179 HydrophobicContact CB-CG2 4.32Å; K154-T179 VanDerWaalsContact O-CB 3.25Å; K154-T179 WeakPolarHBondContact O-CB 3.08Å; K154-T179 VanDerWaalsContact O-CG2 3.26Å; K154-T179 WeakPolarHBondContact O-CG2 3.44Å; K154-T179 PolarHBondContact O-N 3.04Å; K154-T179 PolarHBondContact O-OG1 3.01Å
155	G	95.9	Very high	95.1	Very high	18 Å²	18	73.6 Å²	73.6	19%	0.186	42%	0.415	C	S	.	.			trans	82	-171.9	-172.3	0	0	0	0	0	112.9	D153 T179 C181	D153-G155 PolarHBondContact O-N 3.4Å; D153-G155 PolarHBondContact OD1-N 2.02Å; G155-T179 VanDerWaalsContact CA-OG1 3.27Å; G155-T179 WeakPolarHBondContact CA-OG1 3.29Å; G155-C181 WeakPolarHBondContact CA-O 3.37Å
156	K	96.7	Very high	95.7	Very high	197 Å²	197	72.8 Å²	72.8	86%	0.857	41%	0.407	S	S	*	.	S	Bend	trans	-121.5	9.6	-170.4	-58.9	-177.6	-178.1	179.8	0	114.4	T179 C181	K156-T179 PolarHBondContact N-OG1 2.82Å; K156-T179 VanDerWaalsContact N-OG1 3.17Å; K156-C181 PolarHBondContact N-O 3.33Å
157	C	96.9	Very high	96.2	Very high	58 Å²	58	68.7 Å²	68.7	39%	0.392	38%	0.381	S	S	.	.	S	Bend	trans	-98	-163.2	-178.7	-83.6	0	0	0	0	111.3	T179 C181	C157-T179 VanDerWaalsContact C-CB 3.46Å; C157-T179 CarbonylContact C-O 3.55Å; C157-T179 WeakPolarHBondContact CB-O 2.99Å; C157-T179 PolarHBondContact N-OG1 3.02Å; C157-T179 VanDerWaalsContact N-OG1 3.07Å; C157-T179 WeakPolarHBondContact O-CB 3.35Å; C157-T179 WeakPolarHBondContact O-CG2 3.18Å; C157-C181 HydrophobicContact CB-CB 3.96Å; C157-C181 WeakPolarHBondContact CB-SG 3.31Å; C157-C181 WeakPolarHBondContact SG-CB 3.28Å; C157-C181 CovalentContact SG-SG 2.02Å; C157-C181 PolarHBondContact SG-SG 3.46Å
158	S	96.8	Very high	96.1	Very high	127 Å²	127	68.6 Å²	68.6	89%	0.888	38%	0.383	S	S	*	.			trans	-129.8	14.6	-176	-49.4	0	0	0	0	114.6	T179	S158-T179 PolarHBondContact N-O 3.23Å
159	A	96	Very high	95.9	Very high	47 Å²	47	72.8 Å²	72.8	39%	0.388	42%	0.418	S	S	.	.			trans	-74.8	160.3	173.2	0	0	0	0	0	111.1	I161 T179	A159-I161 HydrophobicContact CB-CD1 3.98Å; A159-I161 HydrophobicContact CB-CG1 3.91Å; A159-T179 WeakPolarHBondContact CA-O 3.36Å; A159-T179 VanDerWaalsContact CB-O 3.22Å; A159-T179 WeakPolarHBondContact CB-O 3.34Å; A159-T179 PolarHBondContact N-O 2.03Å; A159-T179 WeakPolarHBondContact O-CA 3.34Å
160	S	97.4	Very high	95.9	Very high	102 Å²	102	71.3 Å²	71.3	71%	0.713	41%	0.412	S	S	*	.			trans	-116.3	89.6	172.2	-171.8	0	0	0	0	108.8
161	I	97.4	Very high	95.6	Very high	61 Å²	61	74.4 Å²	74.4	31%	0.313	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117	117.3	-175.6	-52.6	175.7	0	0	0	109.1	A159 R163 Y178	A159-I161 HydrophobicContact CB-CD1 3.98Å; A159-I161 HydrophobicContact CB-CG1 3.91Å; I161-R163 HydrophobicContact CG2-CG 4.25Å; I161-R163 PolarHBondContact O-N 3.24Å; I161-Y178 WeakPolarHBondContact CB-O 3Å; I161-Y178 PolarHBondContact N-O 2.86Å; I161-Y178 VanDerWaalsContact N-O 3.07Å; I161-Y178 PolarHBondContact O-N 3.38Å
162	T	97.9	Very high	95.6	Very high	84 Å²	84	73.9 Å²	73.9	52%	0.515	41%	0.413	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	122	173.2	-52.8	0	0	0	0	110.2	E175	T162-E175 HydrophobicContact CG2-CB 4.35Å
163	R	98.1	Very high	95.6	Very high	57 Å²	57	71.1 Å²	71.1	22%	0.215	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	171.2	175.2	-66.9	-64.2	-176.8	84.2	0.7	109.2	I161 E175 F176 Y178 N187 F188	I161-R163 HydrophobicContact CG2-CG 4.25Å; I161-R163 PolarHBondContact O-N 3.24Å; R163-E175 CarbonylContact O-C 3.49Å; R163-E175 VanDerWaalsContact O-CA 3.27Å; R163-E175 WeakPolarHBondContact O-CA 3.33Å; R163-F176 HydrophobicContact CB-CD1 3.98Å; R163-F176 HydrophobicContact CB-CE1 3.45Å; R163-F176 VanDerWaalsContact CB-CE1 3.45Å; R163-F176 HydrophobicContact CB-CZ 3.86Å; R163-F176 PolarHBondContact N-O 3.44Å; R163-F176 WeakPolarHBondContact O-CD1 3.02Å; R163-F176 PolarHBondContact O-N 2.6Å; R163-Y178 HydrophobicContact CG-CD1 4.26Å; R163-Y178 HydrophobicContact CG-CG 4.21Å; R163-N187 WeakPolarHBondContact CB-OD1 3.39Å; R163-N187 WeakPolarHBondContact CD-OD1 3.33Å; R163-N187 VanDerWaalsContact CG-OD1 3.27Å; R163-N187 WeakPolarHBondContact CG-OD1 3.34Å; R163-N187 PolarHBondContact NH1-OD1 3.41Å; R163-F188 WeakPolarHBondContact CA-O 3.45Å; R163-F188 WeakPolarHBondContact CD-O 3.44Å
164	Y	98.3	Very high	95.7	Very high	53 Å²	53	70.5 Å²	70.5	21%	0.208	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.8	145.2	177.3	-62.7	-91.3	0	0	0	110.2	E174 E175 F188 R191	Y164-E174 CarbonylContact C-O 3.59Å; Y164-E174 WeakPolarHBondContact CA-O 3.25Å; Y164-E175 HydrophobicContact CD1-CB 4Å; Y164-E175 HydrophobicContact CE1-CB 3.74Å; Y164-F188 PolarHBondContact N-O 3.41Å; Y164-F188 WeakPolarHBondContact O-CB 3.47Å; Y164-F188 WeakPolarHBondContact O-CD2 3.1Å; Y164-F188 PolarHBondContact O-N 3.42Å; Y164-R191 HydrophobicContact CD1-CB 3.68Å; Y164-R191 HydrophobicContact CD1-CG 4.1Å; Y164-R191 HydrophobicContact CD2-CB 4.35Å; Y164-R191 HydrophobicContact CE1-CB 3.64Å; Y164-R191 HydrophobicContact CE1-CG 4.22Å; Y164-R191 HydrophobicContact CE2-CB 4.29Å; Y164-R191 VanDerWaalsContact CE2-N 3.34Å; Y164-R191 HydrophobicContact CG-CB 4.05Å
165	Y	97.6	Very high	95.7	Very high	35 Å²	35	71.1 Å²	71.1	14%	0.137	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	156.5	172.8	80.5	-69.7	0	0	0	109.5	L152 N167 C173 E174 F176 N186	L152-Y165 HydrophobicContact CB-CD2 3.92Å; L152-Y165 HydrophobicContact CB-CE2 3.97Å; L152-Y165 HydrophobicContact CB-CG 4.39Å; L152-Y165 HydrophobicContact CD1-CD1 3.62Å; L152-Y165 HydrophobicContact CD1-CD2 4.03Å; L152-Y165 HydrophobicContact CD1-CE1 3.41Å; L152-Y165 VanDerWaalsContact CD1-CE1 3.41Å; L152-Y165 HydrophobicContact CD1-CE2 3.83Å; L152-Y165 HydrophobicContact CD1-CG 3.92Å; L152-Y165 HydrophobicContact CG-CD2 4.38Å; L152-Y165 HydrophobicContact CG-CE2 4.48Å; L152-Y165 HydrophobicContact CG-CG 4.38Å; Y165-N167 HydrophobicContact CE2-CB 3.81Å; Y165-N167 PolarHBondContact OH-ND2 2.77Å; Y165-C173 CarbonylContact O-C 3.5Å; Y165-C173 VanDerWaalsContact O-CA 3.31Å; Y165-C173 WeakPolarHBondContact O-CA 3.31Å; Y165-E174 HydrophobicContact CD1-CB 4.25Å; Y165-E174 WeakPolarHBondContact CD1-O 3.22Å; Y165-E174 HydrophobicContact CE1-CB 3.68Å; Y165-E174 PolarHBondContact N-O 3.02Å; Y165-E174 PolarHBondContact O-N 3.39Å; Y165-E174 PolarHBondContact OH-OE2 2.9Å; Y165-F176 HydrophobicContact CD1-CB 4.26Å; Y165-F176 AromaticContact CD1-CD1 3.85Å; Y165-F176 HydrophobicContact CD1-CD1 3.85Å; Y165-F176 HydrophobicContact CD1-CG 4.3Å; Y165-F176 HydrophobicContact CE1-CB 4.49Å; Y165-F176 HydrophobicContact CG-CD1 4.34Å; Y165-N186 WeakPolarHBondContact CB-O 3.22Å
166	Y	96.6	Very high	95.8	Very high	11 Å²	11	71 Å²	71	4%	0.043	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	114.9	172.6	-176.8	-107.4	0	0	0	110	I144 C148 T168 K171 N186 C198 V199	I144-Y166 HydrophobicContact CD1-CE1 4.03Å; I144-Y166 HydrophobicContact CG2-CD1 4.38Å; I144-Y166 HydrophobicContact CG2-CE1 3.99Å; C148-Y166 HydrophobicContact CB-CD1 3.84Å; C148-Y166 HydrophobicContact CB-CG 4.18Å; C148-Y166 WeakPolarHBondContact O-CD1 3.29Å; Y166-T168 HydrophobicContact CD1-CG2 3.93Å; Y166-T168 HydrophobicContact CE1-CG2 3.93Å; Y166-K171 WeakPolarHBondContact CE2-O 3.34Å; Y166-K171 WeakPolarHBondContact OH-CA 3.48Å; Y166-K171 VanDerWaalsContact OH-CD 3.29Å; Y166-K171 WeakPolarHBondContact OH-CD 3.19Å; Y166-N186 PolarHBondContact N-OD1 2.04Å; Y166-N186 PolarHBondContact O-ND2 3.18Å; Y166-C198 HydrophobicContact CD1-CB 4.23Å; Y166-C198 HydrophobicContact CD2-CB 3.55Å; Y166-C198 HydrophobicContact CE2-CB 4.21Å; Y166-C198 HydrophobicContact CG-CB 3.55Å; Y166-V199 HydrophobicContact CD2-CG2 4.08Å; Y166-V199 HydrophobicContact CE2-CG2 3.81Å
167	N	95.2	Very high	95.9	Very high	29 Å²	29	65 Å²	65	16%	0.155	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	113	173.9	-177	-27.1	0	0	0	109	Y165 A169 T170 K171 M172 E174	Y165-N167 HydrophobicContact CE2-CB 3.81Å; Y165-N167 PolarHBondContact OH-ND2 2.77Å; N167-A169 VanDerWaalsContact C-N 3.28Å; N167-A169 PolarHBondContact O-N 3.33Å; N167-A169 WeakPolarHBondContact OD1-CB 3.42Å; N167-A169 PolarHBondContact OD1-N 3.39Å; N167-T170 VanDerWaalsContact CB-OG1 3.31Å; N167-T170 WeakPolarHBondContact CB-OG1 3.47Å; N167-T170 VanDerWaalsContact CG-OG1 3.3Å; N167-T170 PolarHBondContact OD1-N 3.44Å; N167-K171 WeakPolarHBondContact O-CA 3.18Å; N167-K171 PolarHBondContact O-N 2.99Å; N167-M172 PolarHBondContact N-O 2.91Å; N167-M172 PolarHBondContact O-N 3.39Å; N167-E174 HydrophobicContact CB-CG 4.41Å; N167-E174 PolarHBondContact ND2-OE1 3.23Å; N167-E174 PolarHBondContact ND2-OE2 3.23Å
168	T	90.8	Very high	95.9	Very high	61 Å²	61	63.3 Å²	63.3	37%	0.374	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-19.6	-176.9	56.9	0	0	0	0	113.3	L149 Y166 K171	L149-T168 HydrophobicContact CD2-CG2 4.05Å; Y166-T168 HydrophobicContact CD1-CG2 3.93Å; Y166-T168 HydrophobicContact CE1-CG2 3.93Å; T168-K171 VanDerWaalsContact O-CD 3.26Å; T168-K171 WeakPolarHBondContact O-CD 3.42Å; T168-K171 WeakPolarHBondContact O-CE 3.35Å; T168-K171 PolarHBondContact O-NZ 3.15Å
169	A	90.3	Very high	96	Very high	88 Å²	88	58.4 Å²	58.4	73%	0.727	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.7	-47.8	176.4	0	0	0	0	0	110.7	N167	N167-A169 VanDerWaalsContact C-N 3.28Å; N167-A169 PolarHBondContact O-N 3.33Å; N167-A169 WeakPolarHBondContact OD1-CB 3.42Å; N167-A169 PolarHBondContact OD1-N 3.39Å
170	T	91.8	Very high	95.9	Very high	62 Å²	62	57.9 Å²	57.9	38%	0.38	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.5	-14.6	178.6	65.9	0	0	0	0	112.9	N167 M172 E174	N167-T170 VanDerWaalsContact CB-OG1 3.31Å; N167-T170 WeakPolarHBondContact CB-OG1 3.47Å; N167-T170 VanDerWaalsContact CG-OG1 3.3Å; N167-T170 PolarHBondContact OD1-N 3.44Å; T170-M172 WeakPolarHBondContact O-CG 3.47Å; T170-M172 PolarHBondContact O-N 3.12Å; T170-M172 PolarHBondContact OG1-N 2.99Å; T170-E174 WeakPolarHBondContact CB-OE1 3.49Å; T170-E174 VanDerWaalsContact CG2-OE1 3.31Å; T170-E174 WeakPolarHBondContact CG2-OE1 3Å; T170-E174 PolarHBondContact OG1-OE1 2.78Å
171	K	89.4	Confident	95.8	Very high	117 Å²	117	55.1 Å²	55.1	51%	0.509	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.2	25.9	-171.4	-52.8	-64.1	-179.7	-160.2	0	113	Y166 N167 T168	Y166-K171 WeakPolarHBondContact CE2-O 3.34Å; Y166-K171 WeakPolarHBondContact OH-CA 3.48Å; Y166-K171 VanDerWaalsContact OH-CD 3.29Å; Y166-K171 WeakPolarHBondContact OH-CD 3.19Å; N167-K171 WeakPolarHBondContact O-CA 3.18Å; N167-K171 PolarHBondContact O-N 2.99Å; T168-K171 VanDerWaalsContact O-CD 3.26Å; T168-K171 WeakPolarHBondContact O-CD 3.42Å; T168-K171 WeakPolarHBondContact O-CE 3.35Å; T168-K171 PolarHBondContact O-NZ 3.15Å
172	M	93.6	Very high	95.6	Very high	95 Å²	95	55.1 Å²	55.1	47%	0.468	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	158.6	-177.1	-60.9	-164.2	-60.9	0	0	112.6	N167 T170 E174	N167-M172 PolarHBondContact N-O 2.91Å; N167-M172 PolarHBondContact O-N 3.39Å; T170-M172 WeakPolarHBondContact O-CG 3.47Å; T170-M172 PolarHBondContact O-N 3.12Å; T170-M172 PolarHBondContact OG1-N 2.99Å; M172-E174 HydrophobicContact CB-CG 4.42Å
173	C	97.2	Very high	95.3	Very high	6 Å²	6	52.5 Å²	52.5	4%	0.041	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	114.9	167.8	-70.1	0	0	0	0	109.6	Y165 R191 C194 V195	Y165-C173 CarbonylContact O-C 3.5Å; Y165-C173 VanDerWaalsContact O-CA 3.31Å; Y165-C173 WeakPolarHBondContact O-CA 3.31Å; C173-R191 HydrophobicContact CB-CG 4.17Å; C173-R191 PolarHBondContact O-NE 3.31Å; C173-C194 HydrophobicContact CB-CB 3.69Å; C173-C194 WeakPolarHBondContact CB-SG 3.04Å; C173-C194 WeakPolarHBondContact SG-CB 3.45Å; C173-C194 CovalentContact SG-SG 2.03Å; C173-C194 PolarHBondContact SG-SG 2.76Å; C173-V195 HydrophobicContact CB-CG2 4.04Å; C173-V195 PolarHBondContact SG-N 3.27Å
174	E	98.2	Very high	95.2	Very high	51 Å²	51	51.2 Å²	51.2	24%	0.238	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	152.6	-173.6	-70.2	169.9	-164.8	0	0	110	Y164 Y165 N167 T170 M172	Y164-E174 CarbonylContact C-O 3.59Å; Y164-E174 WeakPolarHBondContact CA-O 3.25Å; Y165-E174 HydrophobicContact CD1-CB 4.25Å; Y165-E174 WeakPolarHBondContact CD1-O 3.22Å; Y165-E174 HydrophobicContact CE1-CB 3.68Å; Y165-E174 PolarHBondContact N-O 3.02Å; Y165-E174 PolarHBondContact O-N 3.39Å; Y165-E174 PolarHBondContact OH-OE2 2.9Å; N167-E174 HydrophobicContact CB-CG 4.41Å; N167-E174 PolarHBondContact ND2-OE1 3.23Å; N167-E174 PolarHBondContact ND2-OE2 3.23Å; T170-E174 WeakPolarHBondContact CB-OE1 3.49Å; T170-E174 VanDerWaalsContact CG2-OE1 3.31Å; T170-E174 WeakPolarHBondContact CG2-OE1 3Å; T170-E174 PolarHBondContact OG1-OE1 2.78Å; M172-E174 HydrophobicContact CB-CG 4.42Å
175	E	98.1	Very high	95	Very high	135 Å²	135	52.3 Å²	52.3	63%	0.631	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.7	149.5	178.7	65.9	-178	-159.2	0	0	112	T162 R163 Y164	T162-E175 HydrophobicContact CG2-CB 4.35Å; R163-E175 CarbonylContact O-C 3.49Å; R163-E175 VanDerWaalsContact O-CA 3.27Å; R163-E175 WeakPolarHBondContact O-CA 3.33Å; Y164-E175 HydrophobicContact CD1-CB 4Å; Y164-E175 HydrophobicContact CE1-CB 3.74Å
176	F	97.8	Very high	95	Very high	16 Å²	16	50.8 Å²	50.8	7%	0.07	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.7	159.6	171.5	79.2	-72.5	0	0	0	111.2	L152 K154 R163 Y165 Y178 N187	L152-F176 HydrophobicContact CD1-CB 3.8Å; L152-F176 HydrophobicContact CD1-CD2 4.17Å; L152-F176 HydrophobicContact CD1-CG 3.96Å; L152-F176 HydrophobicContact CD2-CD2 4.19Å; L152-F176 HydrophobicContact CG-CD2 4.1Å; L152-F176 HydrophobicContact CG-CE2 4.48Å; L152-F176 HydrophobicContact CG-CG 4.33Å; K154-F176 HydrophobicContact CG-CD2 4.35Å; R163-F176 HydrophobicContact CB-CD1 3.98Å; R163-F176 HydrophobicContact CB-CE1 3.45Å; R163-F176 VanDerWaalsContact CB-CE1 3.45Å; R163-F176 HydrophobicContact CB-CZ 3.86Å; R163-F176 PolarHBondContact N-O 3.44Å; R163-F176 WeakPolarHBondContact O-CD1 3.02Å; R163-F176 PolarHBondContact O-N 2.6Å; Y165-F176 HydrophobicContact CD1-CB 4.26Å; Y165-F176 AromaticContact CD1-CD1 3.85Å; Y165-F176 HydrophobicContact CD1-CD1 3.85Å; Y165-F176 HydrophobicContact CD1-CG 4.3Å; Y165-F176 HydrophobicContact CE1-CB 4.49Å; Y165-F176 HydrophobicContact CG-CD1 4.34Å; F176-Y178 HydrophobicContact CE2-CD2 4.31Å; F176-N187 HydrophobicContact CZ-CB 4.26Å
177	V	98.2	Very high	95	Very high	70 Å²	70	51.7 Å²	51.7	42%	0.424	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	112.3	174.9	-177.1	0	0	0	0	109.3
178	Y	97.9	Very high	95.1	Very high	22 Å²	22	51.3 Å²	51.3	9%	0.086	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	135.8	173.9	176.6	-117.1	0	0	0	110.8	K154 I161 R163 F176 G180 C181 G182 N187	K154-Y178 VanDerWaalsContact O-CD2 3.25Å; K154-Y178 WeakPolarHBondContact O-CD2 3.03Å; I161-Y178 WeakPolarHBondContact CB-O 3Å; I161-Y178 PolarHBondContact N-O 2.86Å; I161-Y178 VanDerWaalsContact N-O 3.07Å; I161-Y178 PolarHBondContact O-N 3.38Å; R163-Y178 HydrophobicContact CG-CD1 4.26Å; R163-Y178 HydrophobicContact CG-CG 4.21Å; F176-Y178 HydrophobicContact CE2-CD2 4.31Å; Y178-G180 VanDerWaalsContact C-N 3.29Å; Y178-G180 VanDerWaalsContact CE1-C 3.48Å; Y178-G180 PolarHBondContact O-N 2.77Å; Y178-C181 WeakPolarHBondContact OH-CA 3.32Å; Y178-C181 PolarHBondContact OH-N 2.76Å; Y178-G182 PolarHBondContact OH-N 2.9Å; Y178-G182 PolarHBondContact OH-O 3.28Å; Y178-N187 VanDerWaalsContact CD2-ND2 3.28Å; Y178-N187 WeakPolarHBondContact CD2-ND2 3.29Å; Y178-N187 WeakPolarHBondContact CE2-ND2 3.23Å
179	T	97.6	Very high	95.4	Very high	24 Å²	24	53.7 Å²	53.7	15%	0.147	33%	0.334	C	S	.	.			trans	-79.7	-6.6	-172.8	62.2	0	0	0	0	114.9	K154 G155 K156 C157 S158 A159	K154-T179 HydrophobicContact CB-CG2 4.32Å; K154-T179 VanDerWaalsContact O-CB 3.25Å; K154-T179 WeakPolarHBondContact O-CB 3.08Å; K154-T179 VanDerWaalsContact O-CG2 3.26Å; K154-T179 WeakPolarHBondContact O-CG2 3.44Å; K154-T179 PolarHBondContact O-N 3.04Å; K154-T179 PolarHBondContact O-OG1 3.01Å; G155-T179 VanDerWaalsContact CA-OG1 3.27Å; G155-T179 WeakPolarHBondContact CA-OG1 3.29Å; K156-T179 PolarHBondContact N-OG1 2.82Å; K156-T179 VanDerWaalsContact N-OG1 3.17Å; C157-T179 VanDerWaalsContact C-CB 3.46Å; C157-T179 CarbonylContact C-O 3.55Å; C157-T179 WeakPolarHBondContact CB-O 2.99Å; C157-T179 PolarHBondContact N-OG1 3.02Å; C157-T179 VanDerWaalsContact N-OG1 3.07Å; C157-T179 WeakPolarHBondContact O-CB 3.35Å; C157-T179 WeakPolarHBondContact O-CG2 3.18Å; S158-T179 PolarHBondContact N-O 3.23Å; A159-T179 WeakPolarHBondContact CA-O 3.36Å; A159-T179 VanDerWaalsContact CB-O 3.22Å; A159-T179 WeakPolarHBondContact CB-O 3.34Å; A159-T179 PolarHBondContact N-O 2.03Å; A159-T179 WeakPolarHBondContact O-CA 3.34Å
180	G	94.1	Very high	95.8	Very high	36 Å²	36	51.9 Å²	51.9	37%	0.371	32%	0.316	S	S	.	.	S	Bend	trans	99.9	-8.1	173.5	0	0	0	0	0	116.1	Y178	Y178-G180 VanDerWaalsContact C-N 3.29Å; Y178-G180 VanDerWaalsContact CE1-C 3.48Å; Y178-G180 PolarHBondContact O-N 2.77Å
181	C	95.1	Very high	96	Very high	45 Å²	45	55.3 Å²	55.3	30%	0.304	32%	0.322	S	S	.	.	S	Bend	trans	-151.2	158.6	172.1	75.8	0	0	0	0	112.8	G155 K156 C157 Y178	G155-C181 WeakPolarHBondContact CA-O 3.37Å; K156-C181 PolarHBondContact N-O 3.33Å; C157-C181 HydrophobicContact CB-CB 3.96Å; C157-C181 WeakPolarHBondContact CB-SG 3.31Å; C157-C181 WeakPolarHBondContact SG-CB 3.28Å; C157-C181 CovalentContact SG-SG 2.02Å; C157-C181 PolarHBondContact SG-SG 3.46Å; Y178-C181 WeakPolarHBondContact OH-CA 3.32Å; Y178-C181 PolarHBondContact OH-N 2.76Å
182	G	93.9	Very high	96.2	Very high	60 Å²	60	54.1 Å²	54.1	62%	0.619	32%	0.318	S	S	*	.			trans	70.4	-145.4	-172.5	0	0	0	0	0	111.3	Y178	Y178-G182 PolarHBondContact OH-N 2.9Å; Y178-G182 PolarHBondContact OH-O 3.28Å
183	G	92.4	Very high	96.3	Very high	29 Å²	29	51.4 Å²	51.4	30%	0.299	31%	0.308	S	S	.	.			trans	94.8	174.9	179.8	0	0	0	0	0	113.8	D153	D153-G183 VanDerWaalsContact CG-CA 3.44Å; D153-G183 WeakPolarHBondContact OD2-CA 3.2Å; D153-G183 PolarHBondContact OD2-N 3.3Å
184	S	94.6	Very high	96.2	Very high	30 Å²	30	51.1 Å²	51.1	21%	0.21	31%	0.306	C	S	.	.			trans	-102.4	175.2	174.3	70.9	0	0	0	0	112	P151 N186	P151-S184 PolarHBondContact O-OG 3.2Å; S184-N186 PolarHBondContact O-N 2.74Å; S184-N186 PolarHBondContact OG-N 2.68Å
185	S	95.5	Very high	95.9	Very high	77 Å²	77	49.5 Å²	49.5	54%	0.538	30%	0.3	S	S	.	.	S	Bend	trans	-72.7	-14.3	177.8	-53	0	0	0	0	112.7	D150 N187	D150-S185 WeakPolarHBondContact OD2-CB 3.1Å; D150-S185 PolarHBondContact OD2-N 2.79Å; D150-S185 VanDerWaalsContact OD2-N 3.16Å; D150-S185 PolarHBondContact OD2-OG 2.89Å; S185-N187 PolarHBondContact O-N 2.88Å
186	N	96.7	Very high	95.5	Very high	3 Å²	3	45.6 Å²	45.6	2%	0.016	28%	0.283	C	S	.	.			trans	-79.3	55.8	174.7	-163.4	5.4	0	0	0	111.2	L147 C148 D150 Y165 Y166 S184	L147-N186 WeakPolarHBondContact O-CB 3.44Å; L147-N186 PolarHBondContact O-N 3.46Å; C148-N186 PolarHBondContact O-ND2 3.48Å; D150-N186 HydrophobicContact CB-CB 4.01Å; D150-N186 WeakPolarHBondContact O-CB 3.37Å; D150-N186 PolarHBondContact O-ND2 2.92Å; Y165-N186 WeakPolarHBondContact CB-O 3.22Å; Y166-N186 PolarHBondContact N-OD1 2.04Å; Y166-N186 PolarHBondContact O-ND2 3.18Å; S184-N186 PolarHBondContact O-N 2.74Å; S184-N186 PolarHBondContact OG-N 2.68Å
187	N	97.3	Very high	95.1	Very high	29 Å²	29	47.1 Å²	47.1	16%	0.155	29%	0.294	C	S	.	.			trans	-143.5	106.9	-174.7	-177.4	-22.7	0	0	0	110	R163 F176 Y178 S185	R163-N187 WeakPolarHBondContact CB-OD1 3.39Å; R163-N187 WeakPolarHBondContact CD-OD1 3.33Å; R163-N187 VanDerWaalsContact CG-OD1 3.27Å; R163-N187 WeakPolarHBondContact CG-OD1 3.34Å; R163-N187 PolarHBondContact NH1-OD1 3.41Å; F176-N187 HydrophobicContact CZ-CB 4.26Å; Y178-N187 VanDerWaalsContact CD2-ND2 3.28Å; Y178-N187 WeakPolarHBondContact CD2-ND2 3.29Å; Y178-N187 WeakPolarHBondContact CE2-ND2 3.23Å; S185-N187 PolarHBondContact O-N 2.88Å
188	F	97.4	Very high	94.7	Very high	21 Å²	21	44 Å²	44	9%	0.092	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-115.6	140.9	-172.6	-62	-86.6	0	0	0	111.3	L147 R163 Y164 S190 C194 V197 C198	L147-F188 HydrophobicContact CD1-CE1 4.29Å; L147-F188 HydrophobicContact CD1-CE2 4.38Å; L147-F188 HydrophobicContact CD1-CZ 3.53Å; R163-F188 WeakPolarHBondContact CA-O 3.45Å; R163-F188 WeakPolarHBondContact CD-O 3.44Å; Y164-F188 PolarHBondContact N-O 3.41Å; Y164-F188 WeakPolarHBondContact O-CB 3.47Å; Y164-F188 WeakPolarHBondContact O-CD2 3.1Å; Y164-F188 PolarHBondContact O-N 3.42Å; F188-S190 VanDerWaalsContact C-N 3.31Å; F188-S190 PolarHBondContact O-N 2.79Å; F188-C194 HydrophobicContact CB-CB 3.79Å; F188-C194 HydrophobicContact CD1-CB 4.18Å; F188-C194 HydrophobicContact CD2-CB 3.49Å; F188-C194 VanDerWaalsContact CD2-CB 3.49Å; F188-C194 HydrophobicContact CE2-CB 4.08Å; F188-C194 HydrophobicContact CG-CB 3.55Å; F188-V197 HydrophobicContact CE1-CB 3.82Å; F188-V197 HydrophobicContact CE1-CG1 4.05Å; F188-V197 HydrophobicContact CE1-CG2 4.01Å; F188-V197 HydrophobicContact CZ-CB 4.15Å; F188-V197 HydrophobicContact CZ-CG1 4.11Å; F188-C198 WeakPolarHBondContact CZ-SG 3.34Å
189	V	96.9	Very high	94.1	Very high	112 Å²	112	44.9 Å²	44.9	68%	0.679	28%	0.282	S	S	*	.	S	Bend	trans	-69.5	-31.1	178.9	179.7	0	0	0	0	111.7
190	S	97.3	Very high	93.3	Very high	50 Å²	50	50.8 Å²	50.8	35%	0.35	30%	0.302	S	S	.	.	S	Bend	trans	-136.3	150.3	178.9	68.7	0	0	0	0	112.1	F188 Q192 S193 C194	F188-S190 VanDerWaalsContact C-N 3.31Å; F188-S190 PolarHBondContact O-N 2.79Å; S190-Q192 PolarHBondContact O-N 3.45Å; S190-S193 PolarHBondContact N-OG 2.89Å; S190-S193 PolarHBondContact O-N 3.06Å; S190-S193 VanDerWaalsContact O-N 3.12Å; S190-S193 PolarHBondContact O-OG 2.92Å; S190-S193 WeakPolarHBondContact OG-CB 3.25Å; S190-S193 PolarHBondContact OG-N 2.91Å; S190-S193 VanDerWaalsContact OG-N 3.12Å; S190-S193 PolarHBondContact OG-OG 3.44Å; S190-S193 VanDerWaalsContact OG-OG 3.07Å; S190-C194 PolarHBondContact O-N 3.13Å; S190-C194 VanDerWaalsContact O-N 3.14Å
191	R	96	Very high	91.9	Very high	134 Å²	134	49.9 Å²	49.9	51%	0.506	29%	0.293	S	S	.	.	H	α-helix	trans	-52.8	-40	173	-169.9	173.6	-176.6	-99	3.2	111.5	Y164 C173 C194 V195	Y164-R191 HydrophobicContact CD1-CB 3.68Å; Y164-R191 HydrophobicContact CD1-CG 4.1Å; Y164-R191 HydrophobicContact CD2-CB 4.35Å; Y164-R191 HydrophobicContact CE1-CB 3.64Å; Y164-R191 HydrophobicContact CE1-CG 4.22Å; Y164-R191 HydrophobicContact CE2-CB 4.29Å; Y164-R191 VanDerWaalsContact CE2-N 3.34Å; Y164-R191 HydrophobicContact CG-CB 4.05Å; C173-R191 HydrophobicContact CB-CG 4.17Å; C173-R191 PolarHBondContact O-NE 3.31Å; R191-C194 PolarHBondContact O-N 2.84Å; R191-V195 HydrophobicContact CG-CG2 4.39Å; R191-V195 VanDerWaalsContact O-CG2 3.3Å; R191-V195 WeakPolarHBondContact O-CG2 3.47Å; R191-V195 PolarHBondContact O-N 3.45Å
192	Q	94.8	Very high	90	Very high	91 Å²	91	52.4 Å²	52.4	43%	0.425	31%	0.309	S	S	.	.	H	α-helix	trans	-64.1	-44.8	-179.5	-170	52.3	48.9	0	0	111.9	S190 C194 V195 D196	S190-Q192 PolarHBondContact O-N 3.45Å; Q192-C194 VanDerWaalsContact C-N 3.33Å; Q192-C194 PolarHBondContact O-N 2.83Å; Q192-V195 PolarHBondContact O-N 2.85Å; Q192-D196 PolarHBondContact NE2-OD1 3.31Å; Q192-D196 PolarHBondContact NE2-OD2 3.13Å; Q192-D196 PolarHBondContact O-N 2.58Å
193	S	94.9	Very high	87.7	Confident	39 Å²	39	56.9 Å²	56.9	27%	0.273	31%	0.311	S	S	.	.	H	α-helix	trans	-61.7	-39.3	175.6	61.7	0	0	0	0	112.7	S190 V197	S190-S193 PolarHBondContact N-OG 2.89Å; S190-S193 PolarHBondContact O-N 3.06Å; S190-S193 VanDerWaalsContact O-N 3.12Å; S190-S193 PolarHBondContact O-OG 2.92Å; S190-S193 WeakPolarHBondContact OG-CB 3.25Å; S190-S193 PolarHBondContact OG-N 2.91Å; S190-S193 VanDerWaalsContact OG-N 3.12Å; S190-S193 PolarHBondContact OG-OG 3.44Å; S190-S193 VanDerWaalsContact OG-OG 3.07Å; S193-V197 VanDerWaalsContact O-CG2 3.3Å; S193-V197 WeakPolarHBondContact O-CG2 3.36Å; S193-V197 PolarHBondContact O-N 2.67Å; S193-V197 VanDerWaalsContact O-N 3.15Å
194	C	95.4	Very high	85.7	Confident	0 Å²	0	63 Å²	63	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-62.3	-47.7	172.3	175.7	0	0	0	0	111.5	C173 F188 S190 R191 Q192 D196 V197 C198	C173-C194 HydrophobicContact CB-CB 3.69Å; C173-C194 WeakPolarHBondContact CB-SG 3.04Å; C173-C194 WeakPolarHBondContact SG-CB 3.45Å; C173-C194 CovalentContact SG-SG 2.03Å; C173-C194 PolarHBondContact SG-SG 2.76Å; F188-C194 HydrophobicContact CB-CB 3.79Å; F188-C194 HydrophobicContact CD1-CB 4.18Å; F188-C194 HydrophobicContact CD2-CB 3.49Å; F188-C194 VanDerWaalsContact CD2-CB 3.49Å; F188-C194 HydrophobicContact CE2-CB 4.08Å; F188-C194 HydrophobicContact CG-CB 3.55Å; S190-C194 PolarHBondContact O-N 3.13Å; S190-C194 VanDerWaalsContact O-N 3.14Å; R191-C194 PolarHBondContact O-N 2.84Å; Q192-C194 VanDerWaalsContact C-N 3.33Å; Q192-C194 PolarHBondContact O-N 2.83Å; C194-D196 VanDerWaalsContact C-N 3.33Å; C194-D196 PolarHBondContact O-N 3.45Å; C194-V197 PolarHBondContact O-N 2.96Å; C194-C198 VanDerWaalsContact O-CB 3.31Å; C194-C198 WeakPolarHBondContact O-CB 3.01Å; C194-C198 PolarHBondContact O-N 2.78Å
195	V	92.7	Very high	83.2	Confident	17 Å²	17	69.1 Å²	69.1	10%	0.103	36%	0.357	C	S	.	.	I	π-helix	trans	-61.5	-43.3	-179.1	166.4	0	0	0	0	111.1	C173 R191 Q192 V197 V199 R200	C173-V195 HydrophobicContact CB-CG2 4.04Å; C173-V195 PolarHBondContact SG-N 3.27Å; R191-V195 HydrophobicContact CG-CG2 4.39Å; R191-V195 VanDerWaalsContact O-CG2 3.3Å; R191-V195 WeakPolarHBondContact O-CG2 3.47Å; R191-V195 PolarHBondContact O-N 3.45Å; Q192-V195 PolarHBondContact O-N 2.85Å; V195-V197 VanDerWaalsContact C-N 3.34Å; V195-V197 PolarHBondContact O-N 3.46Å; V195-V199 HydrophobicContact CB-CB 4.47Å; V195-V199 HydrophobicContact CB-CG2 4.46Å; V195-V199 HydrophobicContact CG1-CB 4.11Å; V195-V199 HydrophobicContact CG2-CG2 4.29Å; V195-V199 WeakPolarHBondContact O-CA 2.94Å; V195-V199 VanDerWaalsContact O-CB 3.31Å; V195-V199 WeakPolarHBondContact O-CB 3.31Å; V195-V199 PolarHBondContact O-N 2.8Å; V195-R200 HydrophobicContact CG1-CG 4.2Å; V195-R200 PolarHBondContact O-N 2.77Å
196	D	88.9	Confident	80.7	Confident	52 Å²	52	70.7 Å²	70.7	28%	0.278	37%	0.368	S	S	.	.	I	π-helix	trans	-66	-37.6	-179.4	-71.3	-34.6	0	0	0	112	Q192 C194 R200 G201	Q192-D196 PolarHBondContact NE2-OD1 3.31Å; Q192-D196 PolarHBondContact NE2-OD2 3.13Å; Q192-D196 PolarHBondContact O-N 2.58Å; C194-D196 VanDerWaalsContact C-N 3.33Å; C194-D196 PolarHBondContact O-N 3.45Å; D196-R200 WeakPolarHBondContact OD1-CD 3.37Å; D196-R200 IonicContact OD1-CZ 3.71Å; D196-R200 IonicContact OD1-NE 3.91Å; D196-R200 IonicContact OD1-NH1 2.79Å; D196-R200 PolarHBondContact OD1-NH1 3.07Å; D196-G201 CarbonylContact O-C 3.47Å; D196-G201 PolarHBondContact O-N 2.78Å; D196-G201 VanDerWaalsContact O-O 3.09Å
197	V	88.9	Confident	78.1	Confident	49 Å²	49	75.5 Å²	75.5	30%	0.297	40%	0.402	S	S	.	.	I	π-helix	trans	-80.6	-46.6	-179.9	177.6	0	0	0	0	112.1	L147 F188 S193 C194 V195	L147-V197 HydrophobicContact CD1-CG1 3.9Å; L147-V197 HydrophobicContact CD2-CG1 4.19Å; L147-V197 HydrophobicContact CG-CG1 4.47Å; F188-V197 HydrophobicContact CE1-CB 3.82Å; F188-V197 HydrophobicContact CE1-CG1 4.05Å; F188-V197 HydrophobicContact CE1-CG2 4.01Å; F188-V197 HydrophobicContact CZ-CB 4.15Å; F188-V197 HydrophobicContact CZ-CG1 4.11Å; S193-V197 VanDerWaalsContact O-CG2 3.3Å; S193-V197 WeakPolarHBondContact O-CG2 3.36Å; S193-V197 PolarHBondContact O-N 2.67Å; S193-V197 VanDerWaalsContact O-N 3.15Å; C194-V197 PolarHBondContact O-N 2.96Å; V195-V197 VanDerWaalsContact C-N 3.34Å; V195-V197 PolarHBondContact O-N 3.46Å
198	C	89.9	Confident	75.7	Confident	5 Å²	5	83.3 Å²	83.3	3%	0.034	44%	0.437	C	S	.	.	I	π-helix	trans	-102.6	-26	-166.6	-59.4	0	0	0	0	115.1	C148 Y166 F188 C194	C148-C198 HydrophobicContact CB-CB 3.67Å; C148-C198 WeakPolarHBondContact CB-SG 3.44Å; C148-C198 WeakPolarHBondContact SG-CA 3.44Å; C148-C198 WeakPolarHBondContact SG-CB 3.42Å; C148-C198 CovalentContact SG-SG 2.02Å; C148-C198 PolarHBondContact SG-SG 2.59Å; Y166-C198 HydrophobicContact CD1-CB 4.23Å; Y166-C198 HydrophobicContact CD2-CB 3.55Å; Y166-C198 HydrophobicContact CE2-CB 4.21Å; Y166-C198 HydrophobicContact CG-CB 3.55Å; F188-C198 WeakPolarHBondContact CZ-SG 3.34Å; C194-C198 VanDerWaalsContact O-CB 3.31Å; C194-C198 WeakPolarHBondContact O-CB 3.01Å; C194-C198 PolarHBondContact O-N 2.78Å
199	V	86.7	Confident	72.6	Confident	39 Å²	39	85 Å²	85	24%	0.236	46%	0.461	C	S	.	.	I	π-helix	trans	-102.9	-38.9	-176.5	-179.3	0	0	0	0	112	K142 Y166 V195	K142-V199 PolarHBondContact NZ-O 3.49Å; K142-V199 VanDerWaalsContact NZ-O 3.07Å; Y166-V199 HydrophobicContact CD2-CG2 4.08Å; Y166-V199 HydrophobicContact CE2-CG2 3.81Å; V195-V199 HydrophobicContact CB-CB 4.47Å; V195-V199 HydrophobicContact CB-CG2 4.46Å; V195-V199 HydrophobicContact CG1-CB 4.11Å; V195-V199 HydrophobicContact CG2-CG2 4.29Å; V195-V199 WeakPolarHBondContact O-CA 2.94Å; V195-V199 VanDerWaalsContact O-CB 3.31Å; V195-V199 WeakPolarHBondContact O-CB 3.31Å; V195-V199 PolarHBondContact O-N 2.8Å
200	R	80.5	Confident	69.9	Low	148 Å²	148	89.6 Å²	89.6	56%	0.558	47%	0.472	S	S	*	.	S	Bend	trans	-95.4	-22.7	-179.9	-65.7	175.7	178.2	165.1	-1.5	112.7	V195 D196	V195-R200 HydrophobicContact CG1-CG 4.2Å; V195-R200 PolarHBondContact O-N 2.77Å; D196-R200 WeakPolarHBondContact OD1-CD 3.37Å; D196-R200 IonicContact OD1-CZ 3.71Å; D196-R200 IonicContact OD1-NE 3.91Å; D196-R200 IonicContact OD1-NH1 2.79Å; D196-R200 PolarHBondContact OD1-NH1 3.07Å
201	G	64.3	Low	66.9	Low	18 Å²	18	95.4 Å²	95.4	19%	0.186	50%	0.498	C	S	.	.			trans	77	161.9	-175.2	0	0	0	0	0	112.4	D196 K203	D196-G201 CarbonylContact O-C 3.47Å; D196-G201 PolarHBondContact O-N 2.78Å; D196-G201 VanDerWaalsContact O-O 3.09Å; G201-K203 PolarHBondContact O-N 2.97Å; G201-K203 VanDerWaalsContact O-N 3.11Å
202	P	54.8	Low	64.2	Low	98 Å²	98	100.1 Å²	100.1	64%	0.636	52%	0.516	S	S	*	.			trans	-61.2	118.8	-172.4	22.6	-31.7	0	0	0	111.4	Q204	P202-Q204 PolarHBondContact O-N 2.9Å; P202-Q204 VanDerWaalsContact O-N 3.08Å
203	K	45.8	Very low	61.4	Low	154 Å²	154	106.9 Å²	106.9	67%	0.67	54%	0.537	S	S	*	.			trans	-67.5	104.3	159	-67.9	-174.3	-177.2	175.4	0	106.5	G201 H205	G201-K203 PolarHBondContact O-N 2.97Å; G201-K203 VanDerWaalsContact O-N 3.11Å; K203-H205 PolarHBondContact O-N 3.3Å
204	Q	51.2	Low	59	Low	158 Å²	158	113.2 Å²	113.2	74%	0.738	57%	0.567	S	S	*	*			trans	-59.7	90	167.8	-74.3	-105.1	-8.7	0	0	108.1	P202 S206	P202-Q204 PolarHBondContact O-N 2.9Å; P202-Q204 VanDerWaalsContact O-N 3.08Å; Q204-S206 PolarHBondContact O-N 3.13Å
205	H	40.2	Very low	56.2	Low	157 Å²	157	122.9 Å²	122.9	73%	0.727	61%	0.609	S	S	*	*			trans	-64.5	116.3	162.5	-85.6	-90.6	0	0	0	106.1	K203 S207	K203-H205 PolarHBondContact O-N 3.3Å; H205-S207 PolarHBondContact O-N 3.44Å
206	S	44.6	Very low	53.5	Low	110 Å²	110	132.2 Å²	132.2	77%	0.769	64%	0.643	S	S	*	*			trans	-64.3	85.1	168.4	174.8	0	0	0	0	108.2	Q204 H208	Q204-S206 PolarHBondContact O-N 3.13Å; S206-H208 PolarHBondContact O-N 3.19Å; S206-H208 VanDerWaalsContact O-N 3.11Å
207	S	40.5	Very low	50.9	Low	104 Å²	104	137.1 Å²	137.1	73%	0.727	67%	0.669	S	S	*	*			trans	-77.5	90.3	168.3	45.5	0	0	0	0	108.5	H205 G209	H205-S207 PolarHBondContact O-N 3.44Å; S207-G209 PolarHBondContact O-N 3.48Å
208	H	46.9	Very low	48.7	Very low	193 Å²	193	144.7 Å²	144.7	89%	0.894	69%	0.692	S	S	*	*			trans	-64.4	84.8	145.6	-95.9	45.3	0	0	0	107.4	S206	S206-H208 PolarHBondContact O-N 3.19Å; S206-H208 VanDerWaalsContact O-N 3.11Å
209	G	33.9	Very low	46.3	Very low	58 Å²	58	150.7 Å²	150.7	60%	0.598	72%	0.724	S	S	*	*			trans	-137.5	102.6	175.9	0	0	0	0	0	109.1	S207 L211	S207-G209 PolarHBondContact O-N 3.48Å; G209-L211 PolarHBondContact O-N 2.82Å; G209-L211 VanDerWaalsContact O-N 3.11Å
210	K	39.8	Very low	43.9	Very low	208 Å²	208	156.9 Å²	156.9	90%	0.904	76%	0.756	S	S	*	*			trans	-43.5	111.5	178.5	-81.9	170.4	171	171.2	0	111.9	R212	K210-R212 PolarHBondContact O-N 2.01Å; K210-R212 VanDerWaalsContact O-N 3.13Å
211	L	34.3	Very low	42	Very low	171 Å²	171	161.1 Å²	161.1	90%	0.895	77%	0.772	S	S	*	*			trans	-73.6	99.4	162.2	-144.7	84	0	0	0	107.8	G209 R213	G209-L211 PolarHBondContact O-N 2.82Å; G209-L211 VanDerWaalsContact O-N 3.11Å; L211-R213 PolarHBondContact O-N 3.48Å; L211-R213 VanDerWaalsContact O-N 3.09Å
212	R	39.6	Very low	40.8	Very low	233 Å²	233	168.2 Å²	168.2	88%	0.879	81%	0.805	S	S	*	*			trans	-66.1	106.6	165.6	-77.5	179.3	89.1	-179.2	5.7	107.6	K210 L214	K210-R212 PolarHBondContact O-N 2.01Å; K210-R212 VanDerWaalsContact O-N 3.13Å; R212-L214 PolarHBondContact O-N 3.32Å
213	R	35.2	Very low	40.3	Very low	233 Å²	233	168.7 Å²	168.7	88%	0.879	81%	0.808	S	S	*	*			trans	-68.8	106.2	175.5	-155.8	177	-169.2	179	0.4	108.5	L211 K215	L211-R213 PolarHBondContact O-N 3.48Å; L211-R213 VanDerWaalsContact O-N 3.09Å; R213-K215 PolarHBondContact O-N 3.2Å
214	L	44.4	Very low	40	Very low	172 Å²	172	167.2 Å²	167.2	90%	0.901	81%	0.814	S	S	*	*			trans	-66.7	111.8	164.7	-81.6	159.4	0	0	0	107.9	R212 R216	R212-L214 PolarHBondContact O-N 3.32Å; L214-R216 PolarHBondContact O-N 3.24Å
215	K	36.5	Very low	39.5	Very low	203 Å²	203	168.2 Å²	168.2	88%	0.883	82%	0.823	S	S	*	*			trans	-68.2	114.7	171.2	-97.7	-179.3	173.4	179.4	0	108.3	R213 N217	R213-K215 PolarHBondContact O-N 3.2Å; K215-N217 PolarHBondContact O-N 3Å
216	R	36.4	Very low	39.6	Very low	213 Å²	213	169.7 Å²	169.7	80%	0.804	83%	0.83	S	S	*	*			trans	-76.7	109.6	168.8	-162.4	170.7	113.1	172.7	5.5	108.2	L214 R218	L214-R216 PolarHBondContact O-N 3.24Å; R216-R218 PolarHBondContact O-N 2.82Å
217	N	35.1	Very low	39.7	Very low	156 Å²	156	175 Å²	175	83%	0.834	86%	0.858	S	S	*	*			trans	-71.8	120.6	177.7	-151.6	8	0	0	0	108.8	K215	K215-N217 PolarHBondContact O-N 3Å
218	R	42.9	Very low	39.6	Very low	207 Å²	207	178.6 Å²	178.6	78%	0.781	86%	0.864	S	S	*	*			trans	-113.3	96.1	176.2	-128	-172.4	-170.5	175.7	4	106.7	R216	R216-R218 PolarHBondContact O-N 2.82Å
219	N	38.5	Very low	39.3	Very low	132 Å²	132	177.8 Å²	177.8	71%	0.706	86%	0.863	S	S	*	*			trans	-160.4	91.5	158.9	-99.1	-11.4	0	0	0	108.7
220	N	35.7	Very low	39.6	Very low	169 Å²	169	184.4 Å²	184.4	90%	0.904	88%	0.878	S	S	*	*			trans	-135.2	101.8	149.4	-96.9	-2	0	0	0	105.5
221	R	40.9	Very low	39.5	Very low	236 Å²	236	183.1 Å²	183.1	89%	0.891	88%	0.876	S	S	*	*	P	Polyproline II helix	trans	-85.9	126.7	165.8	-70.6	-173.7	-167.8	-165.2	3.8	107.2
222	L	39.3	Very low	39.9	Very low	168 Å²	168	183.8 Å²	183.8	88%	0.88	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-81	144.4	158.9	-87.8	128.4	0	0	0	108.8
223	P	44.1	Very low	39.9	Very low	108 Å²	108	180.5 Å²	180.5	70%	0.701	88%	0.875	S	S	*	*	P	Polyproline II helix	trans	-80.3	161.8	-177.9	33.8	-33.8	0	0	0	112.1
224	P	40.3	Very low	40.2	Very low	123 Å²	123	176.8 Å²	176.8	80%	0.799	87%	0.874	S	S	*	*	P	Polyproline II helix	trans	-80.7	142.7	-175	32.7	-32.2	0	0	0	112.1
225	L	39.5	Very low	39.9	Very low	179 Å²	179	177.2 Å²	177.2	94%	0.937	87%	0.872	S	S	*	*	P	Polyproline II helix	trans	-70.8	129.7	166.8	-89.7	131.2	0	0	0	109.7
226	Q	44	Very low	40.2	Very low	187 Å²	187	175 Å²	175	87%	0.874	87%	0.871	S	S	*	*	P	Polyproline II helix	trans	-73.7	139.9	173.5	-67.7	173.1	-29.8	0	0	110.7
227	V	45.5	Very low	40.5	Very low	222 Å²	222	171.5 Å²	171.5	100%	1.345	88%	0.877	S	S	*	*			trans	-133.5	0	146.7	-177.2	0	0	0	0	106.5

Retrieved 227 of 227 residues in 355.8 ms (Link to these results)

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