A0A077Z796_TRITR Loading...

Major sperm protein

Central component in molecular interactions underlying sperm crawling. Forms an extensive filament system that extends from sperm villipoda, along the leading edge of the pseudopod.

AlphaFold DB , UniProt , Accession A0A077Z796, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 247 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	50.6	Low	49.3	Very low	234 Å²	234	156.5 Å²	156.5	100%	1.153	86%	0.858	S	S	*	*				0	86.9	0	-58.7	-175.8	-178.8	0	0	104.9
2	S	44.4	Very low	49.1	Very low	114 Å²	114	157.1 Å²	157.1	80%	0.797	86%	0.856	S	S	*	*				58.8	124.4	79	-49	0	0	0	0	110.1
3	L	48.6	Very low	49.1	Very low	163 Å²	163	154.7 Å²	154.7	85%	0.853	85%	0.849	S	S	*	*			cis	-149.5	142.2	8.7	-75	116.7	0	0	0	105.8
4	D	54	Low	49.1	Very low	149 Å²	149	152.4 Å²	152.4	80%	0.797	85%	0.85	S	S	*	*				59.4	137.7	73.4	-97.1	-20.5	0	0	0	118.4
5	Q	43.1	Very low	48.8	Very low	173 Å²	173	146.2 Å²	146.2	81%	0.808	83%	0.834	S	S	*	*			trans	-73.4	163.8	-161.1	-59	165.4	-2.3	0	0	115.5
6	S	57.4	Low	48.5	Very low	123 Å²	123	147.5 Å²	147.5	86%	0.86	84%	0.838	S	S	*	*			trans	-157.1	117.2	150	45.8	0	0	0	0	112.4
7	E	44.6	Very low	48.3	Very low	187 Å²	187	151.3 Å²	151.3	87%	0.874	84%	0.843	S	S	*	*			trans	-71.6	159.8	166.1	-65.8	171.8	117.7	0	0	112.1
8	S	58	Low	48.2	Very low	122 Å²	122	149.9 Å²	149.9	85%	0.853	84%	0.839	S	S	*	*			trans	-140.5	129.8	157.3	58.9	0	0	0	0	111.4
9	K	49	Very low	47.9	Very low	194 Å²	194	147.8 Å²	147.8	84%	0.843	84%	0.835	S	S	*	*			trans	-88.4	174.9	-179.9	-81.5	176.9	170.1	176.5	0	113.1
10	E	51.1	Low	47.9	Very low	196 Å²	196	145.4 Å²	145.4	92%	0.916	83%	0.828	S	S	*	*			trans	97.8	136.2	155.7	-53.4	-172.2	160.5	0	0	115.2
11	G	41.7	Very low	47.5	Very low	66 Å²	66	144 Å²	144	68%	0.68	82%	0.823	S	S	*	*			cis	-162.2	149.2	4.7	0	0	0	0	0	109.3
12	I	46.6	Very low	47	Very low	164 Å²	164	141.2 Å²	141.2	84%	0.841	81%	0.807	S	S	*	*				78.3	103.1	90.4	-67.6	-177.7	0	0	0	115.7
13	V	49	Very low	46.7	Very low	126 Å²	126	141.4 Å²	141.4	76%	0.764	80%	0.803	S	S	*	*				94.8	134.2	128.3	175.5	0	0	0	0	122.9
14	S	48.8	Very low	46.4	Very low	122 Å²	122	141.7 Å²	141.7	85%	0.853	80%	0.802	S	S	*	*			trans	74.7	129.1	159.7	-92.8	0	0	0	0	116.7
15	G	45.6	Very low	45.6	Very low	60 Å²	60	143 Å²	143	62%	0.619	80%	0.804	S	S	*	*			cis	157.1	126.9	8.9	0	0	0	0	0	106.2
16	D	43	Very low	45.4	Very low	167 Å²	167	140.6 Å²	140.6	89%	0.893	80%	0.801	S	S	*	*			trans	-170.8	119.2	145.8	-96.9	-25.3	0	0	0	108.9	T18	D16-T18 PolarHBondContact O-N 3.28Å
17	K	45.5	Very low	44.5	Very low	212 Å²	212	140.3 Å²	140.3	92%	0.922	80%	0.796	S	S	*	*			trans	-83.5	101.5	175.5	-94	174.8	167.3	176.2	0	108.2
18	T	47.5	Very low	44.2	Very low	127 Å²	127	136.8 Å²	136.8	78%	0.779	79%	0.792	S	S	*	*			trans	-118.8	96.2	152.1	43.3	0	0	0	0	107.8	D16 S20	D16-T18 PolarHBondContact O-N 3.28Å; T18-S20 VanDerWaalsContact C-N 3.33Å; T18-S20 PolarHBondContact O-N 3.25Å; T18-S20 VanDerWaalsContact O-N 3.15Å
19	S	41.1	Very low	43.8	Very low	109 Å²	109	138.3 Å²	138.3	76%	0.762	79%	0.79	S	S	*	*			trans	-79.2	82	171.5	171.1	0	0	0	0	108.5	T21	S19-T21 PolarHBondContact O-N 3.35Å
20	S	48.7	Very low	43.7	Very low	100 Å²	100	132.8 Å²	132.8	70%	0.699	77%	0.774	S	S	*	*			trans	-76.1	100.4	161.3	31.9	0	0	0	0	108	T18 E22	T18-S20 VanDerWaalsContact C-N 3.33Å; T18-S20 PolarHBondContact O-N 3.25Å; T18-S20 VanDerWaalsContact O-N 3.15Å; S20-E22 VanDerWaalsContact C-N 3.34Å; S20-E22 PolarHBondContact O-N 3.45Å
21	T	39.8	Very low	43.8	Very low	117 Å²	117	129.3 Å²	129.3	72%	0.718	77%	0.769	S	S	*	*			trans	-64.1	96.6	165.1	-51.5	0	0	0	0	107.4	S19 T23	S19-T21 PolarHBondContact O-N 3.35Å; T21-T23 PolarHBondContact O-N 3.03Å
22	E	39.7	Very low	44.7	Very low	175 Å²	175	131 Å²	131	82%	0.818	76%	0.76	S	S	*	*			trans	-67	99.8	163.3	-78	-177.5	159.7	0	0	107.6	S20 M24	S20-E22 VanDerWaalsContact C-N 3.34Å; S20-E22 PolarHBondContact O-N 3.45Å; E22-M24 VanDerWaalsContact C-N 3.31Å; E22-M24 PolarHBondContact O-N 3.46Å
23	T	37.1	Very low	45.5	Very low	117 Å²	117	128.4 Å²	128.4	72%	0.718	74%	0.744	S	S	*	*			trans	-60.3	99.4	159.9	-53	0	0	0	0	106.3	T21 E25	T21-T23 PolarHBondContact O-N 3.03Å; T23-E25 VanDerWaalsContact C-N 3.34Å; T23-E25 PolarHBondContact O-N 2.98Å
24	M	44.1	Very low	46	Very low	169 Å²	169	129.4 Å²	129.4	83%	0.833	75%	0.751	S	S	*	*			trans	-59.7	102.9	165.5	-83	-159.1	146.3	0	0	107.4	E22 T26	E22-M24 VanDerWaalsContact C-N 3.31Å; E22-M24 PolarHBondContact O-N 3.46Å; M24-T26 PolarHBondContact O-N 3.36Å
25	E	35.7	Very low	46.7	Very low	177 Å²	177	125 Å²	125	83%	0.827	73%	0.725	S	S	*	*			trans	-56.7	104.5	167.2	-69.1	-170.1	157.5	0	0	107.1	T23 P27	T23-E25 VanDerWaalsContact C-N 3.34Å; T23-E25 PolarHBondContact O-N 2.98Å; E25-P27 WeakPolarHBondContact O-CD 3.16Å
26	T	38.8	Very low	48.7	Very low	122 Å²	122	128.2 Å²	128.2	75%	0.748	72%	0.722	S	S	*	*			trans	-62.1	122.2	166.9	-56.2	0	0	0	0	105.7	M24 S28	M24-T26 PolarHBondContact O-N 3.36Å; T26-S28 PolarHBondContact O-N 2.84Å
27	P	38.8	Very low	51	Low	117 Å²	117	120.7 Å²	120.7	76%	0.76	68%	0.681	S	S	*	*			trans	-56.4	110.2	177.1	-20.3	30.4	0	0	0	108.1	E25 L29	E25-P27 WeakPolarHBondContact O-CD 3.16Å; P27-L29 PolarHBondContact O-N 2.94Å
28	S	38.7	Very low	53.3	Low	113 Å²	113	112.5 Å²	112.5	79%	0.79	65%	0.649	S	S	*	*			trans	-70.7	100.5	176.4	64.2	0	0	0	0	107.2	T26	T26-S28 PolarHBondContact O-N 2.84Å
29	L	48.7	Very low	55.4	Low	155 Å²	155	107 Å²	107	81%	0.812	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-50.1	131.9	170.5	-78.4	154.3	0	0	0	108.7	P27	P27-L29 PolarHBondContact O-N 2.94Å
30	P	46.7	Very low	57.9	Low	77 Å²	77	105.6 Å²	105.6	50%	0.5	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-56.3	140.7	177.4	21.7	-31	0	0	0	109.9	M32	P30-M32 PolarHBondContact O-N 3.17Å
31	P	54.6	Low	60	Low	124 Å²	124	103.3 Å²	103.3	81%	0.805	58%	0.584	S	S	*	*	P	Polyproline II helix	trans	-59.2	124.7	-178.6	22.7	-31.4	0	0	0	109.7	E33	P31-E33 PolarHBondContact O-N 3.35Å
32	M	60.5	Low	62.3	Low	100 Å²	100	107.6 Å²	107.6	49%	0.493	59%	0.587	S	S	.	*	P	Polyproline II helix	trans	-61.4	124.3	177.6	-64.9	-172.7	114.3	0	0	109.8	P30 F139 Q141	P30-M32 PolarHBondContact O-N 3.17Å; M32-F139 WeakPolarHBondContact CA-O 3.17Å; M32-Q141 HydrophobicContact CE-CB 3.27Å; M32-Q141 HydrophobicContact CE-CG 4.46Å; M32-Q141 HydrophobicContact SD-CB 4.11Å
33	E	62.6	Low	64.5	Low	110 Å²	110	108 Å²	108	51%	0.514	58%	0.582	S	S	.	*	P	Polyproline II helix	trans	-70.8	132.8	175.2	-67.9	-171.6	173.7	0	0	110	P31 G35 Y64 F139 C140	P31-E33 PolarHBondContact O-N 3.35Å; E33-G35 PolarHBondContact O-N 3.38Å; E33-Y64 PolarHBondContact OE2-OH 2.83Å; E33-F139 HydrophobicContact CB-CD2 4.25Å; E33-F139 PolarHBondContact N-O 2.67Å; E33-C140 PolarHBondContact O-SG 2.8Å; E33-C140 VanDerWaalsContact O-SG 3.37Å
34	T	59.7	Low	67	Low	147 Å²	147	102.9 Å²	102.9	90%	0.902	55%	0.55	S	S	*	.			trans	-63.1	101.5	166.1	20.6	0	0	0	0	108.9
35	G	64.1	Low	69	Low	30 Å²	30	99.3 Å²	99.3	31%	0.309	53%	0.533	S	S	.	.			trans	-68.2	140.5	-159	0	0	0	0	0	115.1	E33 I37 Y64 C140	E33-G35 PolarHBondContact O-N 3.38Å; G35-I37 PolarHBondContact O-N 3.08Å; G35-Y64 WeakPolarHBondContact CA-OH 2.98Å; G35-C140 VanDerWaalsContact CA-SG 3.57Å
36	K	87.5	Confident	71.4	Confident	128 Å²	128	90.9 Å²	90.9	56%	0.557	49%	0.494	S	S	*	.	S	Bend	trans	-72.7	37	158.4	-67	-176.9	-179.7	175.1	0	111.3	Y63 Y64	K36-Y63 WeakPolarHBondContact O-CA 3.31Å; K36-Y63 VanDerWaalsContact O-CB 3.25Å; K36-Y63 WeakPolarHBondContact O-CB 3.45Å; K36-Y63 WeakPolarHBondContact O-CD2 3.31Å; K36-Y63 PolarHBondContact O-N 3.41Å; K36-Y64 HydrophobicContact CB-CD1 4.1Å; K36-Y64 HydrophobicContact CB-CD2 3.88Å; K36-Y64 HydrophobicContact CB-CE1 3.91Å; K36-Y64 HydrophobicContact CB-CE2 3.66Å; K36-Y64 HydrophobicContact CB-CG 4.09Å; K36-Y64 HydrophobicContact CD-CD1 4.02Å; K36-Y64 HydrophobicContact CD-CE1 3.98Å; K36-Y64 HydrophobicContact CG-CD1 4.45Å; K36-Y64 HydrophobicContact CG-CE1 4.07Å; K36-Y64 PolarHBondContact N-OH 3.03Å
37	I	91.3	Very high	73.4	Confident	9 Å²	9	88.7 Å²	88.7	5%	0.046	48%	0.477	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132	178.7	-63	164.4	0	0	0	107.4	G35 I60 T61 Y64 V68 F119 F139	G35-I37 PolarHBondContact O-N 3.08Å; I37-I60 HydrophobicContact CG2-CG2 3.89Å; I37-T61 VanDerWaalsContact CA-O 3.27Å; I37-T61 WeakPolarHBondContact CA-O 3.44Å; I37-Y64 HydrophobicContact CD1-CD2 4.11Å; I37-Y64 HydrophobicContact CD1-CE2 3.91Å; I37-Y64 HydrophobicContact CG1-CD2 3.82Å; I37-Y64 HydrophobicContact CG1-CE2 3.75Å; I37-V68 HydrophobicContact CD1-CB 4.3Å; I37-V68 HydrophobicContact CD1-CG1 4.15Å; I37-V68 HydrophobicContact CD1-CG2 4.03Å; I37-F119 HydrophobicContact CD1-CB 3.88Å; I37-F119 HydrophobicContact CD1-CD1 3.69Å; I37-F119 HydrophobicContact CD1-CD2 4.14Å; I37-F119 HydrophobicContact CD1-CE1 4.23Å; I37-F119 HydrophobicContact CD1-CG 3.63Å; I37-F119 HydrophobicContact CG2-CD1 4.35Å; I37-F119 HydrophobicContact CG2-CD2 4.49Å; I37-F119 HydrophobicContact CG2-CE1 3.81Å; I37-F119 HydrophobicContact CG2-CE2 3.97Å; I37-F119 HydrophobicContact CG2-CZ 3.6Å; I37-F139 HydrophobicContact CD1-CZ 4.2Å
38	T	92.6	Very high	75.2	Confident	40 Å²	40	85.1 Å²	85.1	25%	0.245	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	152.3	176.7	64.3	0	0	0	0	111.3	I60 T61 Y63	T38-I60 CarbonylContact O-C 3.47Å; T38-I60 WeakPolarHBondContact O-CA 3.13Å; T38-T61 PolarHBondContact N-O 2.93Å; T38-T61 PolarHBondContact O-N 2.86Å; T38-T61 WeakPolarHBondContact OG1-CB 3.36Å; T38-Y63 HydrophobicContact CG2-CD2 4.34Å; T38-Y63 HydrophobicContact CG2-CE2 3.67Å; T38-Y63 WeakPolarHBondContact OG1-CE2 3.47Å
39	I	92.9	Very high	77	Confident	10 Å²	10	82.6 Å²	82.6	5%	0.051	43%	0.434	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.6	174.1	-61.5	-177.2	0	0	0	108.1	L58 T59 I60 F117 F119 V142 L144	I39-L58 HydrophobicContact CG2-CB 4.45Å; I39-L58 HydrophobicContact CG2-CD1 3.74Å; I39-T59 WeakPolarHBondContact CA-O 3.25Å; I39-I60 HydrophobicContact CG1-CG1 4.48Å; I39-F117 HydrophobicContact CD1-CB 4.08Å; I39-F117 HydrophobicContact CD1-CD1 3.89Å; I39-F117 HydrophobicContact CD1-CD2 3.29Å; I39-F117 HydrophobicContact CD1-CE1 4.12Å; I39-F117 HydrophobicContact CD1-CE2 3.55Å; I39-F117 HydrophobicContact CD1-CG 3.47Å; I39-F117 VanDerWaalsContact CD1-CG 3.47Å; I39-F117 HydrophobicContact CD1-CZ 3.96Å; I39-F119 HydrophobicContact CD1-CZ 4.35Å; I39-V142 HydrophobicContact CD1-CB 3.9Å; I39-V142 HydrophobicContact CD1-CG1 3.63Å; I39-V142 HydrophobicContact CG1-CG1 4.07Å; I39-L144 HydrophobicContact CG2-CD1 4.38Å; I39-L144 HydrophobicContact CG2-CD2 4.44Å
40	T	92.3	Very high	78.3	Confident	80 Å²	80	82.1 Å²	82.1	49%	0.491	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.4	-178.5	-57	0	0	0	0	110.1	L58 T59	T40-L58 CarbonylContact O-C 3.58Å; T40-L58 VanDerWaalsContact O-CA 3.28Å; T40-L58 WeakPolarHBondContact O-CA 3.45Å; T40-T59 PolarHBondContact N-O 3.31Å; T40-T59 PolarHBondContact O-N 3.06Å
41	P	93	Very high	79.8	Confident	52 Å²	52	85.7 Å²	85.7	34%	0.338	44%	0.44	S	S	.	.	S	Bend	cis	-74.5	156.6	-1.4	33.1	-37.2	0	0	0	112.5	R43 L44 L144	P41-R43 PolarHBondContact O-N 3.05Å; P41-L44 HydrophobicContact CG-CD2 3.34Å; P41-L44 HydrophobicContact CG-CG 4.12Å; P41-L144 VanDerWaalsContact O-CD1 3.31Å; P41-L144 WeakPolarHBondContact O-CD1 3.5Å
42	R	88.3	Confident	81.1	Confident	207 Å²	207	82.6 Å²	82.6	78%	0.781	42%	0.421	S	S	*	.	S	Bend	trans	-73.5	-10.2	177.7	-67.8	-173.8	177	-175.2	-1	114.3	L144	R42-L144 VanDerWaalsContact O-CD1 3.25Å; R42-L144 WeakPolarHBondContact O-CD1 3.16Å
43	R	87.1	Confident	82.3	Confident	184 Å²	184	81.3 Å²	81.3	69%	0.694	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.1	138.1	177.8	-66.2	-177.3	176.6	168	0.3	108.5	P41	P41-R43 PolarHBondContact O-N 3.05Å
44	L	89.3	Confident	83.4	Confident	10 Å²	10	76.8 Å²	76.8	5%	0.052	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	137	175.1	-70.7	174.4	0	0	0	110.6	P41 K56 L58 I99 L144 Q145 L146 S147	P41-L44 HydrophobicContact CG-CD2 3.34Å; P41-L44 HydrophobicContact CG-CG 4.12Å; L44-K56 HydrophobicContact CD1-CB 4.43Å; L44-K56 HydrophobicContact CD2-CB 3.85Å; L44-K56 HydrophobicContact CD2-CG 4.27Å; L44-L58 HydrophobicContact CD1-CD2 4.08Å; L44-I99 HydrophobicContact CD1-CB 4.32Å; L44-I99 HydrophobicContact CD1-CD1 4.03Å; L44-L144 HydrophobicContact CD1-CD2 3.73Å; L44-L144 HydrophobicContact CG-CD2 4.25Å; L44-Q145 PolarHBondContact N-O 2.81Å; L44-L146 HydrophobicContact CB-CD2 3.67Å; L44-L146 HydrophobicContact CD1-CD2 3.83Å; L44-L146 HydrophobicContact CG-CD2 4.29Å; L44-S147 PolarHBondContact O-N 2.91Å
45	L	86.5	Confident	84.8	Confident	93 Å²	93	72.3 Å²	72.3	49%	0.487	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	111.9	167.5	-179	64.9	0	0	0	108.4	L47 S147	L45-L47 HydrophobicContact CD2-CD2 4.21Å; L45-L47 HydrophobicContact CG-CD2 4.17Å; L45-S147 WeakPolarHBondContact CA-O 3.39Å
46	L	85.6	Confident	86.1	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	136	172.7	-64.1	172.5	0	0	0	108.9	P48 K56 L80 I99 L101 L146 S147 Y148 S149	L46-P48 WeakPolarHBondContact O-CD 2.92Å; L46-K56 HydrophobicContact CD2-CB 4.21Å; L46-K56 HydrophobicContact CD2-CG 3.77Å; L46-L80 HydrophobicContact CD1-CD2 3.54Å; L46-I99 HydrophobicContact CD1-CG2 4.09Å; L46-L101 HydrophobicContact CB-CD2 4.39Å; L46-L101 HydrophobicContact CD1-CB 4.32Å; L46-L146 HydrophobicContact CD1-CD1 4.33Å; L46-L146 HydrophobicContact CD1-CD2 4.41Å; L46-S147 PolarHBondContact N-O 3.21Å; L46-Y148 HydrophobicContact CB-CD1 4.07Å; L46-Y148 HydrophobicContact CB-CE1 4.27Å; L46-Y148 HydrophobicContact CD1-CE1 4.21Å; L46-Y148 WeakPolarHBondContact O-CA 3.37Å; L46-S149 PolarHBondContact O-N 2.8Å
47	L	80.9	Confident	86.4	Confident	76 Å²	76	76.2 Å²	76.2	40%	0.398	38%	0.375	S	S	.	.			trans	-104.3	110.4	-177.5	-60.1	179.5	0	0	0	108.3	L45 V49 S54 S149	L45-L47 HydrophobicContact CD2-CD2 4.21Å; L45-L47 HydrophobicContact CG-CD2 4.17Å; L47-V49 WeakPolarHBondContact O-CG2 3.26Å; L47-V49 PolarHBondContact O-N 3.41Å; L47-V49 VanDerWaalsContact O-N 3.15Å; L47-S54 PolarHBondContact N-OG 3.44Å; L47-S54 WeakPolarHBondContact O-CB 3.42Å; L47-S54 PolarHBondContact O-OG 3.05Å; L47-S54 VanDerWaalsContact O-OG 3.05Å; L47-S149 VanDerWaalsContact CD2-CB 3.49Å; L47-S149 WeakPolarHBondContact CD2-OG 3.49Å
48	P	77	Confident	86.5	Confident	42 Å²	42	75.8 Å²	75.8	27%	0.273	37%	0.373	S	S	.	.			trans	-61.4	120.8	176.8	-21.9	33.6	0	0	0	110.8	L46 L101 F108 S149	L46-P48 WeakPolarHBondContact O-CD 2.92Å; P48-L101 HydrophobicContact CB-CD2 4.22Å; P48-L101 HydrophobicContact CG-CD2 4.14Å; P48-F108 HydrophobicContact CB-CD2 4.36Å; P48-F108 HydrophobicContact CG-CD2 3.91Å; P48-F108 HydrophobicContact CG-CE2 4.34Å; P48-S149 WeakPolarHBondContact CD-OG 3.48Å
49	V	76	Confident	86.6	Confident	61 Å²	61	75.8 Å²	75.8	37%	0.37	37%	0.373	S	S	.	.			trans	-116.6	139.3	174	-171.9	0	0	0	0	108.2	L47 S52 P103	L47-V49 WeakPolarHBondContact O-CG2 3.26Å; L47-V49 PolarHBondContact O-N 3.41Å; L47-V49 VanDerWaalsContact O-N 3.15Å; V49-S52 VanDerWaalsContact CG1-OG 3.31Å; V49-S52 WeakPolarHBondContact CG1-OG 2.98Å; V49-P103 VanDerWaalsContact O-CA 3.31Å; V49-P103 WeakPolarHBondContact O-CA 3.39Å
50	K	75.6	Confident	86.7	Confident	145 Å²	145	75.3 Å²	75.3	63%	0.63	37%	0.371	S	S	*	.	S	Bend	trans	-71.5	-32.1	-176.1	-68.6	-170	174.9	-168.1	0	113.6	P103	K50-P103 WeakPolarHBondContact O-CB 3.25Å
51	N	78.3	Confident	86.7	Confident	151 Å²	151	72.5 Å²	72.5	81%	0.807	35%	0.354	S	S	*	.	S	Bend	trans	-121.3	3	-164.8	-58.8	-7.9	0	0	0	113.4
52	S	81.7	Confident	86.7	Confident	59 Å²	59	70 Å²	70	41%	0.413	34%	0.338	S	S	.	.	S	Bend	trans	-149	156.7	-179.3	68.5	0	0	0	0	110.5	V49	V49-S52 VanDerWaalsContact CG1-OG 3.31Å; V49-S52 WeakPolarHBondContact CG1-OG 2.98Å
53	N	85	Confident	87	Confident	74 Å²	74	66.6 Å²	66.6	40%	0.396	33%	0.325	S	S	.	.			trans	-64.7	146.2	168.2	-63.5	-14.8	0	0	0	109.5	T55 Y81 L101 P103	N53-T55 HydrophobicContact CB-CG2 4.12Å; N53-Y81 HydrophobicContact CB-CE1 4.2Å; N53-Y81 PolarHBondContact ND2-OH 3.43Å; N53-L101 CarbonylContact C-O 3.59Å; N53-L101 VanDerWaalsContact CA-O 3.25Å; N53-L101 WeakPolarHBondContact CA-O 3.42Å; N53-P103 WeakPolarHBondContact OD1-CD 3.46Å
54	S	85.8	Confident	87.1	Confident	15 Å²	15	58.4 Å²	58.4	11%	0.105	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	120.5	166	-175.5	0	0	0	0	108.5	L47 G100 L101	L47-S54 PolarHBondContact N-OG 3.44Å; L47-S54 WeakPolarHBondContact O-CB 3.42Å; L47-S54 PolarHBondContact O-OG 3.05Å; L47-S54 VanDerWaalsContact O-OG 3.05Å; S54-G100 CarbonylContact O-C 3.55Å; S54-G100 VanDerWaalsContact O-CA 3.27Å; S54-G100 WeakPolarHBondContact O-CA 3.3Å; S54-L101 PolarHBondContact N-O 2.97Å; S54-L101 PolarHBondContact O-N 3.33Å
55	T	90.4	Very high	87.1	Confident	53 Å²	53	63.6 Å²	63.6	33%	0.325	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	148.4	-171.9	62.8	0	0	0	0	111.5	N53 Y81 E98 I99	N53-T55 HydrophobicContact CB-CG2 4.12Å; T55-Y81 WeakPolarHBondContact CG2-OH 3.27Å; T55-E98 HydrophobicContact CG2-CG 4.36Å; T55-E98 WeakPolarHBondContact CG2-OE1 3.49Å; T55-I99 CarbonylContact C-O 3.48Å; T55-I99 WeakPolarHBondContact CA-O 3.37Å
56	K	92.2	Very high	87.1	Confident	93 Å²	93	60.5 Å²	60.5	40%	0.404	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	150.2	172.7	-67.8	-65.7	178.9	-176.5	0	108.7	L44 L46 I99	L44-K56 HydrophobicContact CD1-CB 4.43Å; L44-K56 HydrophobicContact CD2-CB 3.85Å; L44-K56 HydrophobicContact CD2-CG 4.27Å; L46-K56 HydrophobicContact CD2-CB 4.21Å; L46-K56 HydrophobicContact CD2-CG 3.77Å; K56-I99 PolarHBondContact N-O 2.83Å; K56-I99 PolarHBondContact O-N 2.8Å; K56-I99 VanDerWaalsContact O-O 3.11Å
57	Y	93	Very high	87.2	Confident	146 Å²	146	62.5 Å²	62.5	57%	0.573	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	145.6	175.1	-61.6	-83.2	0	0	0	109.7	V96 I97 E98	Y57-V96 HydrophobicContact CD1-CG1 3.97Å; Y57-V96 HydrophobicContact CG-CG1 4.41Å; Y57-I97 WeakPolarHBondContact CA-O 3.19Å; Y57-E98 HydrophobicContact CD1-CB 4.22Å; Y57-E98 HydrophobicContact CE1-CB 4.02Å; Y57-E98 HydrophobicContact CE1-CG 4.23Å
58	L	93.5	Very high	87.6	Confident	1 Å²	1	58.9 Å²	58.9	1%	0.005	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	150.2	170.1	66	102.6	0	0	0	109.9	I39 T40 L44 I60 V96 I97 I99 F117 L144	I39-L58 HydrophobicContact CG2-CB 4.45Å; I39-L58 HydrophobicContact CG2-CD1 3.74Å; T40-L58 CarbonylContact O-C 3.58Å; T40-L58 VanDerWaalsContact O-CA 3.28Å; T40-L58 WeakPolarHBondContact O-CA 3.45Å; L44-L58 HydrophobicContact CD1-CD2 4.08Å; L58-I60 HydrophobicContact CD1-CG1 3.91Å; L58-V96 WeakPolarHBondContact O-CA 3.04Å; L58-I97 HydrophobicContact CD1-CD1 3.64Å; L58-I97 HydrophobicContact CD1-CG1 3.36Å; L58-I97 HydrophobicContact CD2-CD1 3.92Å; L58-I97 HydrophobicContact CD2-CG1 3.71Å; L58-I97 HydrophobicContact CG-CD1 3.95Å; L58-I97 HydrophobicContact CG-CG1 3.33Å; L58-I97 PolarHBondContact N-O 2.84Å; L58-I97 PolarHBondContact O-N 2.9Å; L58-I99 HydrophobicContact CD2-CB 4.28Å; L58-I99 HydrophobicContact CD2-CD1 3.07Å; L58-I99 HydrophobicContact CD2-CG1 3.36Å; L58-F117 HydrophobicContact CD1-CE1 4.3Å; L58-F117 HydrophobicContact CD1-CZ 3.93Å; L58-F117 HydrophobicContact CD2-CZ 4.22Å; L58-L144 HydrophobicContact CD2-CD2 4Å
59	T	94.3	Very high	88.1	Confident	39 Å²	39	56.9 Å²	56.9	24%	0.239	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	123.7	178.4	-54.1	0	0	0	0	108.7	I39 T40 Q94 C95	I39-T59 WeakPolarHBondContact CA-O 3.25Å; T40-T59 PolarHBondContact N-O 3.31Å; T40-T59 PolarHBondContact O-N 3.06Å; T59-Q94 HydrophobicContact CG2-CB 3.91Å; T59-C95 CarbonylContact C-O 3.46Å; T59-C95 WeakPolarHBondContact CA-O 3.39Å
60	I	94.1	Very high	88.8	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	124.6	165.7	-54.4	175.4	0	0	0	106.8	I37 T38 I39 L58 F70 V89 Q94 C95 I97 F117 F119	I37-I60 HydrophobicContact CG2-CG2 3.89Å; T38-I60 CarbonylContact O-C 3.47Å; T38-I60 WeakPolarHBondContact O-CA 3.13Å; I39-I60 HydrophobicContact CG1-CG1 4.48Å; L58-I60 HydrophobicContact CD1-CG1 3.91Å; I60-F70 HydrophobicContact CD1-CD1 4.09Å; I60-F70 HydrophobicContact CD1-CD2 4.01Å; I60-F70 HydrophobicContact CD1-CE1 4.14Å; I60-F70 HydrophobicContact CD1-CE2 4.07Å; I60-F70 HydrophobicContact CD1-CG 4.01Å; I60-F70 HydrophobicContact CD1-CZ 4.12Å; I60-V89 HydrophobicContact CB-CG2 4.3Å; I60-V89 HydrophobicContact CG2-CG2 3.92Å; I60-Q94 CarbonylContact O-C 3.53Å; I60-Q94 WeakPolarHBondContact O-CA 3.33Å; I60-Q94 WeakPolarHBondContact O-CB 3.4Å; I60-C95 PolarHBondContact N-O 2.9Å; I60-C95 PolarHBondContact O-N 2.94Å; I60-I97 HydrophobicContact CD1-CD1 4.44Å; I60-I97 HydrophobicContact CD1-CG2 4.25Å; I60-F117 HydrophobicContact CD1-CD1 4.1Å; I60-F117 HydrophobicContact CD1-CE1 3.89Å; I60-F117 HydrophobicContact CG1-CE1 4.45Å; I60-F119 HydrophobicContact CG2-CE1 3.85Å; I60-F119 HydrophobicContact CG2-CZ 3.99Å
61	T	94	Very high	89.5	Confident	22 Å²	22	50.7 Å²	50.7	14%	0.135	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	123.3	175.7	-53	0	0	0	0	109.5	I37 T38 Y63	I37-T61 VanDerWaalsContact CA-O 3.27Å; I37-T61 WeakPolarHBondContact CA-O 3.44Å; T38-T61 PolarHBondContact N-O 2.93Å; T38-T61 PolarHBondContact O-N 2.86Å; T38-T61 WeakPolarHBondContact OG1-CB 3.36Å; T61-Y63 HydrophobicContact CG2-CD1 4.29Å; T61-Y63 HydrophobicContact CG2-CD2 4.17Å; T61-Y63 HydrophobicContact CG2-CE1 3.79Å; T61-Y63 HydrophobicContact CG2-CE2 3.65Å; T61-Y63 HydrophobicContact CG2-CG 4.47Å; T61-Y63 VanDerWaalsContact CG2-CZ 3.44Å
62	N	92.7	Very high	90.1	Very high	0 Å²	0	44.1 Å²	44.1	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	111.6	176.1	178.4	19.7	0	0	0	109.8	Y64 F66 V68 V89 L90 K92 S93	N62-Y64 VanDerWaalsContact OD1-CB 3.25Å; N62-Y64 WeakPolarHBondContact OD1-CB 3.26Å; N62-Y64 WeakPolarHBondContact OD1-CD2 3.28Å; N62-Y64 PolarHBondContact OD1-N 2.95Å; N62-F66 PolarHBondContact ND2-O 2.81Å; N62-V68 HydrophobicContact CB-CG2 3.99Å; N62-V89 HydrophobicContact CB-CB 3.98Å; N62-V89 HydrophobicContact CB-CG1 3.59Å; N62-V89 PolarHBondContact ND2-O 3.23Å; N62-L90 PolarHBondContact ND2-O 2.82Å; N62-K92 CarbonylContact O-C 3.6Å; N62-K92 WeakPolarHBondContact O-CA 3.45Å; N62-K92 PolarHBondContact O-N 2.8Å; N62-S93 PolarHBondContact N-O 3.36Å; N62-S93 PolarHBondContact O-N 2.9Å
63	Y	93.2	Very high	90.5	Very high	134 Å²	134	45.9 Å²	45.9	53%	0.525	22%	0.217	S	C	.	.			trans	-96.6	4.4	174.5	-56.7	-84.7	0	0	0	113	K36 T38 T61	K36-Y63 WeakPolarHBondContact O-CA 3.31Å; K36-Y63 VanDerWaalsContact O-CB 3.25Å; K36-Y63 WeakPolarHBondContact O-CB 3.45Å; K36-Y63 WeakPolarHBondContact O-CD2 3.31Å; K36-Y63 PolarHBondContact O-N 3.41Å; T38-Y63 HydrophobicContact CG2-CD2 4.34Å; T38-Y63 HydrophobicContact CG2-CE2 3.67Å; T38-Y63 WeakPolarHBondContact OG1-CE2 3.47Å; T61-Y63 HydrophobicContact CG2-CD1 4.29Å; T61-Y63 HydrophobicContact CG2-CD2 4.17Å; T61-Y63 HydrophobicContact CG2-CE1 3.79Å; T61-Y63 HydrophobicContact CG2-CE2 3.65Å; T61-Y63 HydrophobicContact CG2-CG 4.47Å; T61-Y63 VanDerWaalsContact CG2-CZ 3.44Å
64	Y	89.7	Confident	90.7	Very high	13 Å²	13	45.2 Å²	45.2	5%	0.051	21%	0.208	C	C	.	.	S	Bend	trans	-70.4	156.2	167.8	-68	-78.9	0	0	0	110.8	E33 G35 K36 I37 N62 F66 V68 S91 K92 F139	E33-Y64 PolarHBondContact OE2-OH 2.83Å; G35-Y64 WeakPolarHBondContact CA-OH 2.98Å; K36-Y64 HydrophobicContact CB-CD1 4.1Å; K36-Y64 HydrophobicContact CB-CD2 3.88Å; K36-Y64 HydrophobicContact CB-CE1 3.91Å; K36-Y64 HydrophobicContact CB-CE2 3.66Å; K36-Y64 HydrophobicContact CB-CG 4.09Å; K36-Y64 HydrophobicContact CD-CD1 4.02Å; K36-Y64 HydrophobicContact CD-CE1 3.98Å; K36-Y64 HydrophobicContact CG-CD1 4.45Å; K36-Y64 HydrophobicContact CG-CE1 4.07Å; K36-Y64 PolarHBondContact N-OH 3.03Å; I37-Y64 HydrophobicContact CD1-CD2 4.11Å; I37-Y64 HydrophobicContact CD1-CE2 3.91Å; I37-Y64 HydrophobicContact CG1-CD2 3.82Å; I37-Y64 HydrophobicContact CG1-CE2 3.75Å; N62-Y64 VanDerWaalsContact OD1-CB 3.25Å; N62-Y64 WeakPolarHBondContact OD1-CB 3.26Å; N62-Y64 WeakPolarHBondContact OD1-CD2 3.28Å; N62-Y64 PolarHBondContact OD1-N 2.95Å; Y64-F66 HydrophobicContact CD1-CD1 4.41Å; Y64-F66 AromaticContact CD1-CE1 3.46Å; Y64-F66 HydrophobicContact CD1-CE1 3.46Å; Y64-F66 VanDerWaalsContact CD1-CE1 3.46Å; Y64-F66 HydrophobicContact CD1-CE2 4.12Å; Y64-F66 AromaticContact CD1-CZ 3.29Å; Y64-F66 HydrophobicContact CD1-CZ 3.29Å; Y64-F66 HydrophobicContact CD2-CE2 4.28Å; Y64-F66 HydrophobicContact CD2-CZ 4.19Å; Y64-F66 HydrophobicContact CE1-CE1 4.22Å; Y64-F66 AromaticContact CE1-CZ 3.81Å; Y64-F66 HydrophobicContact CE1-CZ 3.81Å; Y64-F66 AromaticContact CG-CE1 3.89Å; Y64-F66 HydrophobicContact CG-CE1 3.89Å; Y64-F66 AromaticContact CG-CE2 3.85Å; Y64-F66 HydrophobicContact CG-CE2 3.85Å; Y64-F66 AromaticContact CG-CZ 3.51Å; Y64-F66 HydrophobicContact CG-CZ 3.51Å; Y64-V68 HydrophobicContact CD2-CG1 4.18Å; Y64-S91 PolarHBondContact O-OG 3.15Å; Y64-K92 PolarHBondContact O-N 3.05Å; Y64-F139 HydrophobicContact CD2-CZ 4.33Å; Y64-F139 AromaticContact CE2-CE2 3.82Å; Y64-F139 HydrophobicContact CE2-CE2 3.82Å; Y64-F139 AromaticContact CE2-CZ 3.77Å; Y64-F139 HydrophobicContact CE2-CZ 3.77Å; Y64-F139 AromaticContact CZ-CE2 3.71Å; Y64-F139 WeakPolarHBondContact OH-CE2 3.38Å
65	D	89.6	Confident	90.4	Very high	118 Å²	118	46.8 Å²	46.8	63%	0.631	22%	0.219	S	C	*	.	S	Bend	trans	-82.4	2.4	172.5	59.6	-19.9	0	0	0	112.9	S91	D65-S91 WeakPolarHBondContact CA-OG 3.38Å; D65-S91 WeakPolarHBondContact O-CB 3.45Å; D65-S91 PolarHBondContact O-OG 3.41Å
66	F	87.3	Confident	89.2	Confident	29 Å²	29	49.9 Å²	49.9	13%	0.127	23%	0.23	C	C	.	.	S	Bend	trans	-124.2	154.5	175.1	53.7	-99.8	0	0	0	112.4	N62 Y64 V68 R121 F139	N62-F66 PolarHBondContact ND2-O 2.81Å; Y64-F66 HydrophobicContact CD1-CD1 4.41Å; Y64-F66 AromaticContact CD1-CE1 3.46Å; Y64-F66 HydrophobicContact CD1-CE1 3.46Å; Y64-F66 VanDerWaalsContact CD1-CE1 3.46Å; Y64-F66 HydrophobicContact CD1-CE2 4.12Å; Y64-F66 AromaticContact CD1-CZ 3.29Å; Y64-F66 HydrophobicContact CD1-CZ 3.29Å; Y64-F66 HydrophobicContact CD2-CE2 4.28Å; Y64-F66 HydrophobicContact CD2-CZ 4.19Å; Y64-F66 HydrophobicContact CE1-CE1 4.22Å; Y64-F66 AromaticContact CE1-CZ 3.81Å; Y64-F66 HydrophobicContact CE1-CZ 3.81Å; Y64-F66 AromaticContact CG-CE1 3.89Å; Y64-F66 HydrophobicContact CG-CE1 3.89Å; Y64-F66 AromaticContact CG-CE2 3.85Å; Y64-F66 HydrophobicContact CG-CE2 3.85Å; Y64-F66 AromaticContact CG-CZ 3.51Å; Y64-F66 HydrophobicContact CG-CZ 3.51Å; F66-V68 HydrophobicContact CD2-CG1 3.88Å; F66-V68 HydrophobicContact CE2-CG1 3.71Å; F66-R121 HydrophobicContact CD2-CB 4.48Å; F66-R121 HydrophobicContact CD2-CG 3.7Å; F66-R121 HydrophobicContact CE2-CB 4.14Å; F66-R121 HydrophobicContact CE2-CG 3.73Å; F66-R121 HydrophobicContact CG-CG 4.34Å; F66-R121 HydrophobicContact CZ-CG 4.4Å; F66-F139 HydrophobicContact CE2-CZ 4.27Å
67	P	87.7	Confident	88	Confident	41 Å²	41	47.7 Å²	47.7	27%	0.266	22%	0.223	S	C	.	.			trans	-65.2	140.9	172.5	24.9	-31.6	0	0	0	112	V89 L122	P67-V89 WeakPolarHBondContact CA-O 3.44Å; P67-L122 HydrophobicContact CB-CB 4.31Å; P67-L122 HydrophobicContact CB-CD2 4.29Å; P67-L122 HydrophobicContact CG-CB 4.1Å; P67-L122 HydrophobicContact CG-CD2 4.16Å; P67-L122 PolarHBondContact O-N 3.22Å
68	V	88.1	Confident	87.2	Confident	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	135	178.5	-61.5	0	0	0	0	109.9	I37 N62 Y64 F66 W88 V89 F119 A120 F139	I37-V68 HydrophobicContact CD1-CB 4.3Å; I37-V68 HydrophobicContact CD1-CG1 4.15Å; I37-V68 HydrophobicContact CD1-CG2 4.03Å; N62-V68 HydrophobicContact CB-CG2 3.99Å; Y64-V68 HydrophobicContact CD2-CG1 4.18Å; F66-V68 HydrophobicContact CD2-CG1 3.88Å; F66-V68 HydrophobicContact CE2-CG1 3.71Å; V68-W88 CarbonylContact O-C 3.58Å; V68-W88 WeakPolarHBondContact O-CA 3.43Å; V68-W88 WeakPolarHBondContact O-CB 3.32Å; V68-V89 HydrophobicContact CG2-CB 3.97Å; V68-V89 HydrophobicContact CG2-CG2 4.49Å; V68-V89 PolarHBondContact N-O 2.79Å; V68-V89 PolarHBondContact O-N 3.34Å; V68-F119 HydrophobicContact CG2-CD1 4.39Å; V68-A120 CarbonylContact C-O 3.59Å; V68-A120 WeakPolarHBondContact CA-O 3.27Å; V68-F139 HydrophobicContact CG1-CE1 4.34Å; V68-F139 HydrophobicContact CG1-CZ 4.28Å
69	A	88.9	Confident	86.7	Confident	1 Å²	1	50.9 Å²	50.9	1%	0.008	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	147.8	168.8	0	0	0	0	0	109.6	G87 F119 A120 L132 L136	A69-G87 CarbonylContact C-O 3.58Å; A69-G87 WeakPolarHBondContact CA-O 3.07Å; A69-F119 CarbonylContact O-C 3.51Å; A69-F119 VanDerWaalsContact O-CA 3.27Å; A69-F119 WeakPolarHBondContact O-CA 3.5Å; A69-A120 PolarHBondContact N-O 3.22Å; A69-A120 PolarHBondContact O-N 3.46Å; A69-L132 HydrophobicContact CB-CD1 3.84Å; A69-L132 HydrophobicContact CB-CD2 3.6Å; A69-L132 HydrophobicContact CB-CG 4.32Å; A69-L136 HydrophobicContact CB-CD1 3.96Å
70	F	89.5	Confident	86.4	Confident	1 Å²	1	49.4 Å²	49.4	0%	0.004	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	148.4	175.1	73.5	-90.8	0	0	0	111.6	I60 P84 C86 G87 V89 I97 D118 F119	I60-F70 HydrophobicContact CD1-CD1 4.09Å; I60-F70 HydrophobicContact CD1-CD2 4.01Å; I60-F70 HydrophobicContact CD1-CE1 4.14Å; I60-F70 HydrophobicContact CD1-CE2 4.07Å; I60-F70 HydrophobicContact CD1-CG 4.01Å; I60-F70 HydrophobicContact CD1-CZ 4.12Å; F70-P84 HydrophobicContact CZ-CG 3.97Å; F70-C86 WeakPolarHBondContact O-CA 3.36Å; F70-C86 WeakPolarHBondContact O-CB 3.32Å; F70-G87 WeakPolarHBondContact CD1-O 3.39Å; F70-G87 PolarHBondContact N-O 3.26Å; F70-G87 PolarHBondContact O-N 3.14Å; F70-G87 VanDerWaalsContact O-N 3.07Å; F70-V89 HydrophobicContact CD1-CG2 4.02Å; F70-V89 HydrophobicContact CE1-CG2 4.21Å; F70-I97 HydrophobicContact CE2-CG2 4.22Å; F70-I97 HydrophobicContact CZ-CG2 3.89Å; F70-D118 CarbonylContact C-O 3.6Å; F70-D118 VanDerWaalsContact CA-O 3.27Å; F70-D118 WeakPolarHBondContact CA-O 3.22Å; F70-F119 HydrophobicContact CB-CD1 3.6Å; F70-F119 HydrophobicContact CB-CE1 3.45Å; F70-F119 VanDerWaalsContact CB-CE1 3.45Å; F70-F119 HydrophobicContact CB-CZ 4.33Å; F70-F119 HydrophobicContact CG-CE1 4.4Å
71	K	90.4	Very high	86.3	Confident	75 Å²	75	51.2 Å²	51.2	33%	0.326	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	127.1	169.8	-178	173.2	177.8	171.7	0	109.4	D118 N133	K71-D118 PolarHBondContact N-O 2.79Å; K71-D118 PolarHBondContact O-N 2.91Å; K71-N133 WeakPolarHBondContact CE-OD1 3.29Å; K71-N133 PolarHBondContact NZ-OD1 3.45Å
72	L	91.2	Very high	86.2	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.063	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.4	177.3	-173.9	55	0	0	0	110.6	W74 S85 I97 I99 A115 I116 F117	L72-W74 HydrophobicContact CD2-CH2 3.66Å; L72-W74 HydrophobicContact CD2-CZ2 3.73Å; L72-W74 HydrophobicContact CD2-CZ3 4.29Å; L72-W74 HydrophobicContact CG-CH2 4.36Å; L72-W74 HydrophobicContact CG-CZ2 4.27Å; L72-S85 WeakPolarHBondContact CB-O 3.12Å; L72-S85 PolarHBondContact N-O 3.07Å; L72-I97 HydrophobicContact CD2-CD1 4.08Å; L72-I99 HydrophobicContact CD2-CD1 4.35Å; L72-I99 HydrophobicContact CD2-CG1 4.48Å; L72-A115 HydrophobicContact CD1-CB 3.73Å; L72-I116 WeakPolarHBondContact CD1-O 3.28Å; L72-F117 HydrophobicContact CB-CE1 4.42Å; L72-F117 HydrophobicContact CD1-CD1 3.9Å; L72-F117 HydrophobicContact CD1-CD2 3.68Å; L72-F117 HydrophobicContact CD1-CE1 3.72Å; L72-F117 HydrophobicContact CD1-CE2 3.5Å; L72-F117 HydrophobicContact CD1-CG 3.88Å; L72-F117 HydrophobicContact CD1-CZ 3.52Å; L72-F117 HydrophobicContact CD2-CE1 4.16Å; L72-F117 HydrophobicContact CD2-CZ 4.01Å; L72-F117 HydrophobicContact CG-CE1 4.34Å; L72-F117 HydrophobicContact CG-CZ 4.35Å
73	R	89.8	Confident	86.1	Confident	96 Å²	96	54.9 Å²	54.9	36%	0.362	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	145.8	171.8	-65	-174.6	-68	108.2	2.8	110.1	I116 D118	R73-I116 HydrophobicContact CB-CB 4.47Å; R73-I116 PolarHBondContact N-O 3.32Å; R73-I116 PolarHBondContact O-N 3.35Å; R73-D118 IonicContact CZ-OD1 3.15Å; R73-D118 IonicContact CZ-OD2 2.66Å; R73-D118 IonicContact NE-OD2 2.92Å; R73-D118 PolarHBondContact NE-OD2 2.83Å; R73-D118 VanDerWaalsContact NH2-CG 3.26Å; R73-D118 IonicContact NH2-OD1 2.81Å; R73-D118 PolarHBondContact NH2-OD1 2.95Å; R73-D118 IonicContact NH2-OD2 3.96Å; R73-D118 PolarHBondContact NH2-OD2 2.8Å
74	W	88.9	Confident	86.1	Confident	60 Å²	60	49.9 Å²	49.9	23%	0.227	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	141.5	174.5	-52.9	109.9	0	0	0	109.8	L72 L80 Y81 I99 A115 L146	L72-W74 HydrophobicContact CD2-CH2 3.66Å; L72-W74 HydrophobicContact CD2-CZ2 3.73Å; L72-W74 HydrophobicContact CD2-CZ3 4.29Å; L72-W74 HydrophobicContact CG-CH2 4.36Å; L72-W74 HydrophobicContact CG-CZ2 4.27Å; W74-L80 HydrophobicContact CD2-CB 3.87Å; W74-L80 HydrophobicContact CD2-CD1 4.07Å; W74-L80 HydrophobicContact CE3-CB 4.1Å; W74-L80 HydrophobicContact CE3-CD1 3.58Å; W74-L80 HydrophobicContact CE3-CG 4.5Å; W74-L80 HydrophobicContact CG-CB 4.3Å; W74-L80 HydrophobicContact CH2-CB 4.4Å; W74-L80 HydrophobicContact CZ2-CB 4.21Å; W74-L80 HydrophobicContact CZ3-CB 4.36Å; W74-L80 HydrophobicContact CZ3-CD1 3.97Å; W74-Y81 WeakPolarHBondContact CZ2-O 3.02Å; W74-I99 HydrophobicContact CH2-CB 4.33Å; W74-I99 HydrophobicContact CH2-CD1 3.71Å; W74-I99 HydrophobicContact CH2-CG1 3.82Å; W74-I99 HydrophobicContact CH2-CG2 3.75Å; W74-I99 HydrophobicContact CZ3-CD1 4.05Å; W74-I99 HydrophobicContact CZ3-CG2 4.29Å; W74-A115 HydrophobicContact CE3-CB 3.8Å; W74-A115 HydrophobicContact CH2-CB 4.37Å; W74-A115 HydrophobicContact CZ3-CB 3.41Å; W74-A115 VanDerWaalsContact CZ3-CB 3.41Å; W74-L146 HydrophobicContact CE3-CD1 4.17Å; W74-L146 HydrophobicContact CZ3-CD1 3.71Å
75	S	79.7	Confident	86	Confident	48 Å²	48	52.1 Å²	52.1	34%	0.336	26%	0.263	S	S	.	.	S	Bend	trans	-71.1	-47.6	174.3	80.8	0	0	0	0	110.9	D113 R114	S75-D113 PolarHBondContact OG-OD1 2.87Å; S75-R114 PolarHBondContact N-O 3.06Å; S75-R114 PolarHBondContact OG-N 2.88Å
76	Q	64.7	Low	86	Confident	119 Å²	119	48.9 Å²	48.9	56%	0.556	25%	0.25	S	C	*	.	S	Bend	trans	-156.6	63	-167.8	-62.2	-174.5	-0.3	0	0	113.5	D113	Q76-D113 VanDerWaalsContact C-OD2 3.22Å; Q76-D113 PolarHBondContact N-OD1 3.49Å
77	N	67.1	Low	86.1	Confident	46 Å²	46	48.1 Å²	48.1	25%	0.246	25%	0.25	C	C	.	.			trans	-165.8	137.6	162.8	-149.7	-18.3	0	0	0	115.1	A79 L80 F108 D113	N77-A79 VanDerWaalsContact OD1-CB 3.26Å; N77-A79 WeakPolarHBondContact OD1-CB 3.36Å; N77-A79 PolarHBondContact OD1-N 2.86Å; N77-L80 HydrophobicContact CB-CB 4.31Å; N77-L80 HydrophobicContact CB-CD1 4.02Å; N77-L80 HydrophobicContact CB-CG 3.89Å; N77-F108 WeakPolarHBondContact ND2-CE1 3.49Å; N77-F108 WeakPolarHBondContact ND2-CZ 3.3Å; N77-D113 VanDerWaalsContact CB-OD2 3.29Å; N77-D113 WeakPolarHBondContact CB-OD2 3.34Å
78	K	76.7	Confident	86.1	Confident	206 Å²	206	48.3 Å²	48.3	90%	0.896	25%	0.245	S	C	*	.	S	Bend	trans	-82.6	-14.3	165.3	-66.7	-172.7	177.5	-174.5	0	112.9
79	A	82.6	Confident	86.1	Confident	8 Å²	8	48.4 Å²	48.4	7%	0.066	25%	0.246	C	C	.	.	S	Bend	trans	-84.9	-16	-178.9	0	0	0	0	0	113.4	N77 L101 H102 L104	N77-A79 VanDerWaalsContact OD1-CB 3.26Å; N77-A79 WeakPolarHBondContact OD1-CB 3.36Å; N77-A79 PolarHBondContact OD1-N 2.86Å; A79-L101 HydrophobicContact CB-CD1 3.7Å; A79-L101 WeakPolarHBondContact O-CA 3.41Å; A79-H102 PolarHBondContact O-CD2 3.12Å; A79-H102 PolarHBondContact O-N 3.12Å; A79-L104 HydrophobicContact CB-CD1 4.18Å; A79-L104 HydrophobicContact CB-CD2 3.8Å; A79-L104 HydrophobicContact CB-CG 4.25Å
80	L	89.1	Confident	86.1	Confident	9 Å²	9	52 Å²	52	5%	0.047	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	143.9	175.9	-68.3	176	0	0	0	110.3	L46 W74 N77 G100 L101 D113 L146 Y148	L46-L80 HydrophobicContact CD1-CD2 3.54Å; W74-L80 HydrophobicContact CD2-CB 3.87Å; W74-L80 HydrophobicContact CD2-CD1 4.07Å; W74-L80 HydrophobicContact CE3-CB 4.1Å; W74-L80 HydrophobicContact CE3-CD1 3.58Å; W74-L80 HydrophobicContact CE3-CG 4.5Å; W74-L80 HydrophobicContact CG-CB 4.3Å; W74-L80 HydrophobicContact CH2-CB 4.4Å; W74-L80 HydrophobicContact CZ2-CB 4.21Å; W74-L80 HydrophobicContact CZ3-CB 4.36Å; W74-L80 HydrophobicContact CZ3-CD1 3.97Å; N77-L80 HydrophobicContact CB-CB 4.31Å; N77-L80 HydrophobicContact CB-CD1 4.02Å; N77-L80 HydrophobicContact CB-CG 3.89Å; L80-G100 WeakPolarHBondContact CA-O 3.45Å; L80-L101 HydrophobicContact CD2-CB 4.31Å; L80-L101 HydrophobicContact CD2-CD1 4.19Å; L80-D113 HydrophobicContact CD1-CB 4.16Å; L80-D113 WeakPolarHBondContact CD1-OD2 3.31Å; L80-L146 HydrophobicContact CD1-CD1 3.41Å; L80-L146 VanDerWaalsContact CD1-CD1 3.41Å; L80-L146 HydrophobicContact CD2-CD1 4.12Å; L80-L146 HydrophobicContact CG-CD1 4.42Å; L80-Y148 WeakPolarHBondContact CD1-OH 3.35Å; L80-Y148 HydrophobicContact CD2-CE1 4.21Å
81	Y	90.8	Very high	86.1	Confident	37 Å²	37	54.1 Å²	54.1	15%	0.145	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	163.6	172.7	73	-95.9	0	0	0	110.3	N53 T55 W74 V83 E98 G100 H102	N53-Y81 HydrophobicContact CB-CE1 4.2Å; N53-Y81 PolarHBondContact ND2-OH 3.43Å; T55-Y81 WeakPolarHBondContact CG2-OH 3.27Å; W74-Y81 WeakPolarHBondContact CZ2-O 3.02Å; Y81-V83 HydrophobicContact CD2-CG2 4.16Å; Y81-V83 HydrophobicContact CE2-CG2 4.28Å; Y81-E98 VanDerWaalsContact CE2-OE1 3.24Å; Y81-E98 WeakPolarHBondContact CE2-OE1 3.09Å; Y81-E98 PolarHBondContact OH-OE1 3.42Å; Y81-G100 PolarHBondContact N-O 3.44Å; Y81-G100 PolarHBondContact O-N 3.24Å; Y81-H102 AromaticContact CD1-CD2 3.91Å; Y81-H102 AromaticContact CD1-CE1 3.57Å; Y81-H102 AromaticContact CD1-ND1 3.87Å; Y81-H102 AromaticContact CD1-NE2 3.58Å
82	S	91.9	Very high	86.1	Confident	15 Å²	15	58.5 Å²	58.5	11%	0.105	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	146.3	174.5	53.6	0	0	0	0	111.4	S85 E98	S82-S85 VanDerWaalsContact OG-CA 3.3Å; S82-S85 WeakPolarHBondContact OG-CA 3.21Å; S82-S85 WeakPolarHBondContact OG-CB 3.49Å; S82-E98 CarbonylContact C-O 3.54Å; S82-E98 WeakPolarHBondContact CA-O 3.24Å; S82-E98 WeakPolarHBondContact CB-O 3.39Å
83	V	91.9	Very high	86.1	Confident	85 Å²	85	58.9 Å²	58.9	52%	0.515	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	115.2	175.3	-174.2	0	0	0	0	109.4	Y81 E98	Y81-V83 HydrophobicContact CD2-CG2 4.16Å; Y81-V83 HydrophobicContact CE2-CG2 4.28Å; V83-E98 HydrophobicContact CB-CB 4.31Å; V83-E98 PolarHBondContact N-O 3.03Å; V83-E98 PolarHBondContact O-N 3Å
84	P	91.7	Very high	86.3	Confident	28 Å²	28	58.3 Å²	58.3	18%	0.182	30%	0.304	C	S	.	.	S	Bend	cis	-70.9	157.3	-14.4	33.9	-39.6	0	0	0	112.8	F70 C86 I97 A235	F70-P84 HydrophobicContact CZ-CG 3.97Å; P84-C86 WeakPolarHBondContact CB-O 3.25Å; P84-I97 HydrophobicContact CG-CG2 3.96Å; P84-A235 HydrophobicContact CG-CB 4.24Å
85	S	89.5	Confident	86.4	Confident	60 Å²	60	55.5 Å²	55.5	42%	0.42	29%	0.293	S	S	.	.	S	Bend	trans	-86.3	-14.6	170.4	57.2	0	0	0	0	113.7	L72 S82	L72-S85 WeakPolarHBondContact CB-O 3.12Å; L72-S85 PolarHBondContact N-O 3.07Å; S82-S85 VanDerWaalsContact OG-CA 3.3Å; S82-S85 WeakPolarHBondContact OG-CA 3.21Å; S82-S85 WeakPolarHBondContact OG-CB 3.49Å
86	C	89.5	Confident	87.1	Confident	51 Å²	51	56.8 Å²	56.8	35%	0.345	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.1	154.3	175.5	56.6	0	0	0	0	109.6	F70 P84	F70-C86 WeakPolarHBondContact O-CA 3.36Å; F70-C86 WeakPolarHBondContact O-CB 3.32Å; P84-C86 WeakPolarHBondContact CB-O 3.25Å
87	G	88.8	Confident	88.4	Confident	13 Å²	13	51.1 Å²	51.1	13%	0.134	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	176.3	-161.6	178.5	0	0	0	0	0	110.7	A69 F70	A69-G87 CarbonylContact C-O 3.58Å; A69-G87 WeakPolarHBondContact CA-O 3.07Å; F70-G87 WeakPolarHBondContact CD1-O 3.39Å; F70-G87 PolarHBondContact N-O 3.26Å; F70-G87 PolarHBondContact O-N 3.14Å; F70-G87 VanDerWaalsContact O-N 3.07Å
88	W	86.7	Confident	89.7	Confident	45 Å²	45	51 Å²	51	17%	0.17	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	158.4	171.8	49.9	53.4	0	0	0	111	V68 L129 L234	V68-W88 CarbonylContact O-C 3.58Å; V68-W88 WeakPolarHBondContact O-CA 3.43Å; V68-W88 WeakPolarHBondContact O-CB 3.32Å; W88-L129 HydrophobicContact CD2-CD1 4.11Å; W88-L129 HydrophobicContact CE3-CD1 3.49Å; W88-L129 VanDerWaalsContact CE3-CD1 3.49Å; W88-L129 HydrophobicContact CE3-CD2 3.74Å; W88-L129 HydrophobicContact CE3-CG 3.76Å; W88-L129 HydrophobicContact CH2-CD1 3.37Å; W88-L129 HydrophobicContact CH2-CD2 4.5Å; W88-L129 HydrophobicContact CH2-CG 3.64Å; W88-L129 HydrophobicContact CZ2-CD1 3.99Å; W88-L129 HydrophobicContact CZ3-CD1 3.15Å; W88-L129 HydrophobicContact CZ3-CD2 3.55Å; W88-L129 HydrophobicContact CZ3-CG 3.13Å; W88-L234 HydrophobicContact CZ2-CB 4.36Å
89	V	89.4	Confident	90.4	Very high	2 Å²	2	41.1 Å²	41.1	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124	120.8	169.6	-168.3	0	0	0	0	106.6	I60 N62 P67 V68 F70 S93 C95	I60-V89 HydrophobicContact CB-CG2 4.3Å; I60-V89 HydrophobicContact CG2-CG2 3.92Å; N62-V89 HydrophobicContact CB-CB 3.98Å; N62-V89 HydrophobicContact CB-CG1 3.59Å; N62-V89 PolarHBondContact ND2-O 3.23Å; P67-V89 WeakPolarHBondContact CA-O 3.44Å; V68-V89 HydrophobicContact CG2-CB 3.97Å; V68-V89 HydrophobicContact CG2-CG2 4.49Å; V68-V89 PolarHBondContact N-O 2.79Å; V68-V89 PolarHBondContact O-N 3.34Å; F70-V89 HydrophobicContact CD1-CG2 4.02Å; F70-V89 HydrophobicContact CE1-CG2 4.21Å; V89-S93 WeakPolarHBondContact CG1-O 3.41Å; V89-C95 HydrophobicContact CG1-CB 4.42Å; V89-C95 HydrophobicContact CG2-CB 3.7Å
90	L	89.2	Confident	90.7	Very high	77 Å²	77	40.8 Å²	40.8	40%	0.403	22%	0.224	S	C	.	.			trans	-59.9	161.1	178.3	-64.1	177	0	0	0	110.9	N62 K92 S93	N62-L90 PolarHBondContact ND2-O 2.82Å; L90-K92 PolarHBondContact O-N 3.44Å; L90-S93 WeakPolarHBondContact O-CB 3.4Å; L90-S93 PolarHBondContact O-N 3.25Å
91	S	89	Confident	90.6	Very high	45 Å²	45	40.4 Å²	40.4	32%	0.315	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-49.3	132.5	170.4	174	0	0	0	0	110.8	Y64 D65 S93	Y64-S91 PolarHBondContact O-OG 3.15Å; D65-S91 WeakPolarHBondContact CA-OG 3.38Å; D65-S91 WeakPolarHBondContact O-CB 3.45Å; D65-S91 PolarHBondContact O-OG 3.41Å; S91-S93 PolarHBondContact O-N 3.07Å
92	K	89.6	Confident	90.4	Very high	166 Å²	166	42.5 Å²	42.5	72%	0.722	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	26.4	179.1	-58.7	179.5	-177.9	174.5	0	114.9	N62 Y64 L90	N62-K92 CarbonylContact O-C 3.6Å; N62-K92 WeakPolarHBondContact O-CA 3.45Å; N62-K92 PolarHBondContact O-N 2.8Å; Y64-K92 PolarHBondContact O-N 3.05Å; L90-K92 PolarHBondContact O-N 3.44Å
93	S	91.6	Very high	89.8	Confident	20 Å²	20	44.3 Å²	44.3	14%	0.14	25%	0.245	C	C	.	.			trans	-118.2	-179	-174.4	-165.8	0	0	0	0	112.1	N62 V89 L90 S91	N62-S93 PolarHBondContact N-O 3.36Å; N62-S93 PolarHBondContact O-N 2.9Å; V89-S93 WeakPolarHBondContact CG1-O 3.41Å; L90-S93 WeakPolarHBondContact O-CB 3.4Å; L90-S93 PolarHBondContact O-N 3.25Å; S91-S93 PolarHBondContact O-N 3.07Å
94	Q	93.6	Very high	88.9	Confident	84 Å²	84	42.8 Å²	42.8	39%	0.393	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.6	179.6	63.5	-176.2	7.8	0	0	111.9	T59 I60	T59-Q94 HydrophobicContact CG2-CB 3.91Å; I60-Q94 CarbonylContact O-C 3.53Å; I60-Q94 WeakPolarHBondContact O-CA 3.33Å; I60-Q94 WeakPolarHBondContact O-CB 3.4Å
95	C	91.9	Very high	87.7	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.014	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	135.4	173.6	175.3	0	0	0	0	108.6	T59 I60 V89 C233	T59-C95 CarbonylContact C-O 3.46Å; T59-C95 WeakPolarHBondContact CA-O 3.39Å; I60-C95 PolarHBondContact N-O 2.9Å; I60-C95 PolarHBondContact O-N 2.94Å; V89-C95 HydrophobicContact CG1-CB 4.42Å; V89-C95 HydrophobicContact CG2-CB 3.7Å; C95-C233 PolarHBondContact SG-SG 3.26Å
96	V	93	Very high	86.4	Confident	74 Å²	74	56 Å²	56	45%	0.448	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	130	171.5	179.7	0	0	0	0	108.2	Y57 L58	Y57-V96 HydrophobicContact CD1-CG1 3.97Å; Y57-V96 HydrophobicContact CG-CG1 4.41Å; L58-V96 WeakPolarHBondContact O-CA 3.04Å
97	I	93.5	Very high	84.9	Confident	1 Å²	1	58.5 Å²	58.5	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	147.5	171.3	76.4	171.5	0	0	0	110.2	Y57 L58 I60 F70 L72 P84 F117	Y57-I97 WeakPolarHBondContact CA-O 3.19Å; L58-I97 HydrophobicContact CD1-CD1 3.64Å; L58-I97 HydrophobicContact CD1-CG1 3.36Å; L58-I97 HydrophobicContact CD2-CD1 3.92Å; L58-I97 HydrophobicContact CD2-CG1 3.71Å; L58-I97 HydrophobicContact CG-CD1 3.95Å; L58-I97 HydrophobicContact CG-CG1 3.33Å; L58-I97 PolarHBondContact N-O 2.84Å; L58-I97 PolarHBondContact O-N 2.9Å; I60-I97 HydrophobicContact CD1-CD1 4.44Å; I60-I97 HydrophobicContact CD1-CG2 4.25Å; F70-I97 HydrophobicContact CE2-CG2 4.22Å; F70-I97 HydrophobicContact CZ-CG2 3.89Å; L72-I97 HydrophobicContact CD2-CD1 4.08Å; P84-I97 HydrophobicContact CG-CG2 3.96Å; I97-F117 HydrophobicContact CD1-CE1 3.55Å; I97-F117 HydrophobicContact CD1-CZ 3.81Å
98	E	93.5	Very high	83.7	Confident	42 Å²	42	59.5 Å²	59.5	20%	0.196	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	131.8	168.4	-174.1	-175.8	146.6	0	0	108.9	T55 Y57 Y81 S82 V83	T55-E98 HydrophobicContact CG2-CG 4.36Å; T55-E98 WeakPolarHBondContact CG2-OE1 3.49Å; Y57-E98 HydrophobicContact CD1-CB 4.22Å; Y57-E98 HydrophobicContact CE1-CB 4.02Å; Y57-E98 HydrophobicContact CE1-CG 4.23Å; Y81-E98 VanDerWaalsContact CE2-OE1 3.24Å; Y81-E98 WeakPolarHBondContact CE2-OE1 3.09Å; Y81-E98 PolarHBondContact OH-OE1 3.42Å; S82-E98 CarbonylContact C-O 3.54Å; S82-E98 WeakPolarHBondContact CA-O 3.24Å; S82-E98 WeakPolarHBondContact CB-O 3.39Å; V83-E98 HydrophobicContact CB-CB 4.31Å; V83-E98 PolarHBondContact N-O 3.03Å; V83-E98 PolarHBondContact O-N 3Å
99	I	91.9	Very high	82.3	Confident	0 Å²	0	66 Å²	66	0%	0	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	127.4	160.2	-70.7	-172.3	0	0	0	107.7	L44 L46 T55 K56 L58 L72 W74 A115 L144 L146	L44-I99 HydrophobicContact CD1-CB 4.32Å; L44-I99 HydrophobicContact CD1-CD1 4.03Å; L46-I99 HydrophobicContact CD1-CG2 4.09Å; T55-I99 CarbonylContact C-O 3.48Å; T55-I99 WeakPolarHBondContact CA-O 3.37Å; K56-I99 PolarHBondContact N-O 2.83Å; K56-I99 PolarHBondContact O-N 2.8Å; K56-I99 VanDerWaalsContact O-O 3.11Å; L58-I99 HydrophobicContact CD2-CB 4.28Å; L58-I99 HydrophobicContact CD2-CD1 3.07Å; L58-I99 HydrophobicContact CD2-CG1 3.36Å; L72-I99 HydrophobicContact CD2-CD1 4.35Å; L72-I99 HydrophobicContact CD2-CG1 4.48Å; W74-I99 HydrophobicContact CH2-CB 4.33Å; W74-I99 HydrophobicContact CH2-CD1 3.71Å; W74-I99 HydrophobicContact CH2-CG1 3.82Å; W74-I99 HydrophobicContact CH2-CG2 3.75Å; W74-I99 HydrophobicContact CZ3-CD1 4.05Å; W74-I99 HydrophobicContact CZ3-CG2 4.29Å; I99-A115 HydrophobicContact CD1-CB 4.38Å; I99-L144 HydrophobicContact CD1-CD2 3.98Å; I99-L146 HydrophobicContact CG2-CD2 4.46Å
100	G	89	Confident	81	Confident	0 Å²	0	71.5 Å²	71.5	0%	0	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	160.3	-179.6	0	0	0	0	0	113.2	S54 L80 Y81	S54-G100 CarbonylContact O-C 3.55Å; S54-G100 VanDerWaalsContact O-CA 3.27Å; S54-G100 WeakPolarHBondContact O-CA 3.3Å; L80-G100 WeakPolarHBondContact CA-O 3.45Å; Y81-G100 PolarHBondContact N-O 3.44Å; Y81-G100 PolarHBondContact O-N 3.24Å
101	L	86.3	Confident	80	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.01	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	121.6	171.6	171.1	61.7	0	0	0	107.8	L46 P48 N53 S54 A79 L80 L104 F108 Y148	L46-L101 HydrophobicContact CB-CD2 4.39Å; L46-L101 HydrophobicContact CD1-CB 4.32Å; P48-L101 HydrophobicContact CB-CD2 4.22Å; P48-L101 HydrophobicContact CG-CD2 4.14Å; N53-L101 CarbonylContact C-O 3.59Å; N53-L101 VanDerWaalsContact CA-O 3.25Å; N53-L101 WeakPolarHBondContact CA-O 3.42Å; S54-L101 PolarHBondContact N-O 2.97Å; S54-L101 PolarHBondContact O-N 3.33Å; A79-L101 HydrophobicContact CB-CD1 3.7Å; A79-L101 WeakPolarHBondContact O-CA 3.41Å; L80-L101 HydrophobicContact CD2-CB 4.31Å; L80-L101 HydrophobicContact CD2-CD1 4.19Å; L101-L104 HydrophobicContact CD1-CD1 4.36Å; L101-F108 HydrophobicContact CD1-CE2 3.5Å; L101-F108 HydrophobicContact CD1-CZ 3.44Å; L101-F108 VanDerWaalsContact CD1-CZ 3.44Å; L101-F108 HydrophobicContact CD2-CE2 3.58Å; L101-F108 HydrophobicContact CD2-CZ 4.19Å; L101-F108 HydrophobicContact CG-CE2 4.12Å; L101-F108 HydrophobicContact CG-CZ 4.44Å; L101-Y148 HydrophobicContact CD2-CD1 4.23Å; L101-Y148 HydrophobicContact CD2-CE1 4.27Å
102	H	86.3	Confident	79.4	Confident	81 Å²	81	78 Å²	78	38%	0.375	37%	0.368	S	S	.	.			trans	-61.5	149.8	171.1	-71.8	-58.2	0	0	0	111.2	A79 Y81 L104	A79-H102 PolarHBondContact O-CD2 3.12Å; A79-H102 PolarHBondContact O-N 3.12Å; Y81-H102 AromaticContact CD1-CD2 3.91Å; Y81-H102 AromaticContact CD1-CE1 3.57Å; Y81-H102 AromaticContact CD1-ND1 3.87Å; Y81-H102 AromaticContact CD1-NE2 3.58Å; H102-L104 PolarHBondContact O-N 3.36Å
103	P	80.6	Confident	79.1	Confident	53 Å²	53	70.4 Å²	70.4	34%	0.344	34%	0.336	S	S	.	.			trans	-55.8	139.3	172.8	15.3	-25.6	0	0	0	111.1	V49 K50 N53	V49-P103 VanDerWaalsContact O-CA 3.31Å; V49-P103 WeakPolarHBondContact O-CA 3.39Å; K50-P103 WeakPolarHBondContact O-CB 3.25Å; N53-P103 WeakPolarHBondContact OD1-CD 3.46Å
104	L	72.6	Confident	78.9	Confident	53 Å²	53	75.9 Å²	75.9	28%	0.277	35%	0.353	S	S	.	.			trans	-126.3	129.6	179.2	-68.3	-179.8	0	0	0	110.7	A79 L101 H102 R106 F108	A79-L104 HydrophobicContact CB-CD1 4.18Å; A79-L104 HydrophobicContact CB-CD2 3.8Å; A79-L104 HydrophobicContact CB-CG 4.25Å; L101-L104 HydrophobicContact CD1-CD1 4.36Å; H102-L104 PolarHBondContact O-N 3.36Å; L104-R106 PolarHBondContact O-N 2.79Å; L104-F108 HydrophobicContact CD1-CD2 3.38Å; L104-F108 HydrophobicContact CD1-CE1 4.46Å; L104-F108 HydrophobicContact CD1-CE2 3.03Å; L104-F108 HydrophobicContact CD1-CG 4.24Å; L104-F108 HydrophobicContact CD1-CZ 3.65Å; L104-F108 HydrophobicContact CG-CE2 4.31Å
105	D	65.6	Low	78.8	Confident	146 Å²	146	71.9 Å²	71.9	78%	0.781	33%	0.334	S	S	*	.	S	Bend	trans	-73	-20.9	172.6	-65.6	-34	0	0	0	112.4
106	R	63.7	Low	78.8	Confident	218 Å²	218	73 Å²	73	82%	0.823	34%	0.34	S	S	*	.	S	Bend	trans	-116.5	145.3	-173.3	-61.4	-176.1	-177	-175.4	0.9	111.2	L104 F108	L104-R106 PolarHBondContact O-N 2.79Å; R106-F108 PolarHBondContact O-N 2.9Å
107	V	57.1	Low	78.7	Confident	105 Å²	105	69.5 Å²	69.5	64%	0.636	32%	0.319	S	S	*	.			trans	-60	129.1	173	178.9	0	0	0	0	108.9	K109 P151	V107-K109 PolarHBondContact O-N 3.03Å; V107-P151 HydrophobicContact CB-CG 4.47Å; V107-P151 HydrophobicContact CG1-CG 3.75Å; V107-P151 HydrophobicContact CG2-CB 4.44Å; V107-P151 HydrophobicContact CG2-CG 3.93Å
108	F	62.7	Low	78.5	Confident	33 Å²	33	70.5 Å²	70.5	15%	0.145	32%	0.324	C	S	.	.			trans	-49.9	124	170.6	-103.7	-87	0	0	0	111.3	P48 N77 L101 L104 R106 Y110 Y148	P48-F108 HydrophobicContact CB-CD2 4.36Å; P48-F108 HydrophobicContact CG-CD2 3.91Å; P48-F108 HydrophobicContact CG-CE2 4.34Å; N77-F108 WeakPolarHBondContact ND2-CE1 3.49Å; N77-F108 WeakPolarHBondContact ND2-CZ 3.3Å; L101-F108 HydrophobicContact CD1-CE2 3.5Å; L101-F108 HydrophobicContact CD1-CZ 3.44Å; L101-F108 VanDerWaalsContact CD1-CZ 3.44Å; L101-F108 HydrophobicContact CD2-CE2 3.58Å; L101-F108 HydrophobicContact CD2-CZ 4.19Å; L101-F108 HydrophobicContact CG-CE2 4.12Å; L101-F108 HydrophobicContact CG-CZ 4.44Å; L104-F108 HydrophobicContact CD1-CD2 3.38Å; L104-F108 HydrophobicContact CD1-CE1 4.46Å; L104-F108 HydrophobicContact CD1-CE2 3.03Å; L104-F108 HydrophobicContact CD1-CG 4.24Å; L104-F108 HydrophobicContact CD1-CZ 3.65Å; L104-F108 HydrophobicContact CG-CE2 4.31Å; R106-F108 PolarHBondContact O-N 2.9Å; F108-Y110 VanDerWaalsContact C-N 3.26Å; F108-Y148 AromaticContact CD1-CD2 3.83Å; F108-Y148 HydrophobicContact CD1-CD2 3.83Å; F108-Y148 HydrophobicContact CD1-CE1 4.49Å; F108-Y148 AromaticContact CD1-CE2 3.73Å; F108-Y148 HydrophobicContact CD1-CE2 3.73Å; F108-Y148 HydrophobicContact CD1-CG 4.24Å; F108-Y148 HydrophobicContact CD2-CD1 4.33Å; F108-Y148 HydrophobicContact CD2-CG 4.37Å; F108-Y148 HydrophobicContact CE1-CD1 4.24Å; F108-Y148 AromaticContact CE1-CD2 3.96Å; F108-Y148 HydrophobicContact CE1-CD2 3.96Å; F108-Y148 AromaticContact CE1-CE1 3.78Å; F108-Y148 HydrophobicContact CE1-CE1 3.78Å; F108-Y148 AromaticContact CE1-CE2 3.44Å; F108-Y148 HydrophobicContact CE1-CE2 3.44Å; F108-Y148 VanDerWaalsContact CE1-CE2 3.44Å; F108-Y148 HydrophobicContact CE1-CG 4.31Å; F108-Y148 AromaticContact CE1-CZ 3.33Å; F108-Y148 AromaticContact CE2-CD1 3.99Å; F108-Y148 HydrophobicContact CE2-CD1 3.99Å; F108-Y148 AromaticContact CE2-CE1 3.96Å; F108-Y148 HydrophobicContact CE2-CE1 3.96Å; F108-Y148 HydrophobicContact CE2-CG 4.44Å; F108-Y148 HydrophobicContact CG-CD2 4.23Å; F108-Y148 HydrophobicContact CG-CG 4.25Å; F108-Y148 AromaticContact CZ-CD1 3.96Å; F108-Y148 HydrophobicContact CZ-CD1 3.96Å; F108-Y148 HydrophobicContact CZ-CD2 4.49Å; F108-Y148 AromaticContact CZ-CE1 3.48Å; F108-Y148 HydrophobicContact CZ-CE1 3.48Å; F108-Y148 VanDerWaalsContact CZ-CE1 3.48Å; F108-Y148 HydrophobicContact CZ-CE2 4.07Å; F108-Y148 HydrophobicContact CZ-CG 4.43Å; F108-Y148 AromaticContact CZ-CZ 3.53Å
109	K	59.2	Low	78.4	Confident	181 Å²	181	68.5 Å²	68.5	79%	0.787	32%	0.315	S	S	*	.	S	Bend	trans	-68.9	-30.2	172.5	-167.2	176.8	-179.7	-178.1	0	111.4	V107	V107-K109 PolarHBondContact O-N 3.03Å
110	Y	61.8	Low	78.1	Confident	118 Å²	118	68.9 Å²	68.9	46%	0.463	32%	0.318	S	S	.	.			trans	-102.3	134.9	-175.1	-54.9	-75.2	0	0	0	110.9	F108 S112 Y148	F108-Y110 VanDerWaalsContact C-N 3.26Å; Y110-S112 VanDerWaalsContact C-N 3.35Å; Y110-Y148 VanDerWaalsContact O-CD2 3.3Å; Y110-Y148 WeakPolarHBondContact O-CD2 3.48Å
111	R	68	Low	78	Confident	197 Å²	197	75.3 Å²	75.3	74%	0.743	34%	0.342	S	S	*	.	S	Bend	trans	-80.5	-18.9	176.4	-69.4	-171.8	179	173.4	3.9	113.1	Y148	R111-Y148 PolarHBondContact O-N 2.76Å
112	S	75.2	Confident	77.7	Confident	62 Å²	62	76.4 Å²	76.4	43%	0.434	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.8	151.1	-178.5	57.6	0	0	0	0	111.4	Y110 L146	Y110-S112 VanDerWaalsContact C-N 3.35Å; S112-L146 CarbonylContact C-O 3.45Å; S112-L146 WeakPolarHBondContact CA-O 3.45Å; S112-L146 VanDerWaalsContact CB-O 3.25Å; S112-L146 WeakPolarHBondContact CB-O 3.2Å
113	D	83.4	Confident	76.7	Confident	6 Å²	6	76.6 Å²	76.6	3%	0.032	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	175.5	170.3	-161.2	-11.3	0	0	0	108.6	S75 Q76 N77 L80 L146 Y148	S75-D113 PolarHBondContact OG-OD1 2.87Å; Q76-D113 VanDerWaalsContact C-OD2 3.22Å; Q76-D113 PolarHBondContact N-OD1 3.49Å; N77-D113 VanDerWaalsContact CB-OD2 3.29Å; N77-D113 WeakPolarHBondContact CB-OD2 3.34Å; L80-D113 HydrophobicContact CD1-CB 4.16Å; L80-D113 WeakPolarHBondContact CD1-OD2 3.31Å; D113-L146 HydrophobicContact CB-CB 4.32Å; D113-L146 HydrophobicContact CB-CD1 4.46Å; D113-L146 PolarHBondContact N-O 3.35Å; D113-L146 PolarHBondContact O-N 2.58Å; D113-Y148 HydrophobicContact CB-CE2 3.98Å; D113-Y148 VanDerWaalsContact CB-OH 3.32Å; D113-Y148 WeakPolarHBondContact CB-OH 3.36Å
114	R	88	Confident	75.8	Confident	135 Å²	135	82.3 Å²	82.3	51%	0.509	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	130.6	179	-65.8	163.6	173.3	-155.8	6.7	109.4	S75 M143 L144	S75-R114 PolarHBondContact N-O 3.06Å; S75-R114 PolarHBondContact OG-N 2.88Å; R114-M143 HydrophobicContact CB-CG 4.13Å; R114-M143 HydrophobicContact CB-SD 4.32Å; R114-M143 WeakPolarHBondContact CD-SD 3.39Å; R114-M143 HydrophobicContact CG-CG 4.22Å; R114-M143 HydrophobicContact CG-SD 4.02Å; R114-M143 PolarHBondContact NH1-SD 2.82Å; R114-M143 VanDerWaalsContact NH1-SD 3.36Å; R114-L144 WeakPolarHBondContact CA-O 3.25Å
115	A	91.1	Very high	75	Confident	0 Å²	0	87.1 Å²	87.1	0%	0	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	126.2	164.4	0	0	0	0	0	107.7	L72 W74 I99 F117 M143 L144	L72-A115 HydrophobicContact CD1-CB 3.73Å; W74-A115 HydrophobicContact CE3-CB 3.8Å; W74-A115 HydrophobicContact CH2-CB 4.37Å; W74-A115 HydrophobicContact CZ3-CB 3.41Å; W74-A115 VanDerWaalsContact CZ3-CB 3.41Å; I99-A115 HydrophobicContact CD1-CB 4.38Å; A115-F117 HydrophobicContact CB-CE2 3.97Å; A115-M143 CarbonylContact O-C 3.48Å; A115-M143 WeakPolarHBondContact O-CA 3.38Å; A115-L144 HydrophobicContact CB-CB 4.04Å; A115-L144 HydrophobicContact CB-CD2 4.44Å; A115-L144 PolarHBondContact N-O 2.83Å; A115-L144 PolarHBondContact O-N 2.92Å
116	I	91.4	Very high	74.4	Confident	27 Å²	27	82.7 Å²	82.7	14%	0.138	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	114.1	-177.5	-54	170.2	0	0	0	107.3	L72 R73 Q141	L72-I116 WeakPolarHBondContact CD1-O 3.28Å; R73-I116 HydrophobicContact CB-CB 4.47Å; R73-I116 PolarHBondContact N-O 3.32Å; R73-I116 PolarHBondContact O-N 3.35Å; I116-Q141 HydrophobicContact CG2-CG 3.6Å; I116-Q141 VanDerWaalsContact CG2-NE2 3.33Å
117	F	92.1	Very high	73.9	Confident	0 Å²	0	80.6 Å²	80.6	0%	0	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	115.2	175.9	-67.2	-100.4	0	0	0	108.7	I39 L58 I60 L72 I97 A115 F119 Q141 V142 L144	I39-F117 HydrophobicContact CD1-CB 4.08Å; I39-F117 HydrophobicContact CD1-CD1 3.89Å; I39-F117 HydrophobicContact CD1-CD2 3.29Å; I39-F117 HydrophobicContact CD1-CE1 4.12Å; I39-F117 HydrophobicContact CD1-CE2 3.55Å; I39-F117 HydrophobicContact CD1-CG 3.47Å; I39-F117 VanDerWaalsContact CD1-CG 3.47Å; I39-F117 HydrophobicContact CD1-CZ 3.96Å; L58-F117 HydrophobicContact CD1-CE1 4.3Å; L58-F117 HydrophobicContact CD1-CZ 3.93Å; L58-F117 HydrophobicContact CD2-CZ 4.22Å; I60-F117 HydrophobicContact CD1-CD1 4.1Å; I60-F117 HydrophobicContact CD1-CE1 3.89Å; I60-F117 HydrophobicContact CG1-CE1 4.45Å; L72-F117 HydrophobicContact CB-CE1 4.42Å; L72-F117 HydrophobicContact CD1-CD1 3.9Å; L72-F117 HydrophobicContact CD1-CD2 3.68Å; L72-F117 HydrophobicContact CD1-CE1 3.72Å; L72-F117 HydrophobicContact CD1-CE2 3.5Å; L72-F117 HydrophobicContact CD1-CG 3.88Å; L72-F117 HydrophobicContact CD1-CZ 3.52Å; L72-F117 HydrophobicContact CD2-CE1 4.16Å; L72-F117 HydrophobicContact CD2-CZ 4.01Å; L72-F117 HydrophobicContact CG-CE1 4.34Å; L72-F117 HydrophobicContact CG-CZ 4.35Å; I97-F117 HydrophobicContact CD1-CE1 3.55Å; I97-F117 HydrophobicContact CD1-CZ 3.81Å; A115-F117 HydrophobicContact CB-CE2 3.97Å; F117-F119 HydrophobicContact CB-CD2 4.24Å; F117-F119 HydrophobicContact CB-CE2 3.46Å; F117-F119 VanDerWaalsContact CB-CE2 3.46Å; F117-F119 HydrophobicContact CB-CZ 3.79Å; F117-F119 HydrophobicContact CD1-CZ 4.27Å; F117-F119 HydrophobicContact CG-CE2 4.4Å; F117-F119 HydrophobicContact CG-CZ 4.33Å; F117-Q141 CarbonylContact O-C 3.52Å; F117-Q141 WeakPolarHBondContact O-CA 3.4Å; F117-Q141 WeakPolarHBondContact O-CG 3.42Å; F117-V142 HydrophobicContact CB-CB 4.38Å; F117-V142 PolarHBondContact N-O 2.84Å; F117-V142 PolarHBondContact O-N 3.2Å; F117-L144 HydrophobicContact CE2-CB 4.05Å; F117-L144 HydrophobicContact CE2-CD2 4.27Å
118	D	89.9	Confident	73.5	Confident	22 Å²	22	80.9 Å²	80.9	12%	0.118	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	127.8	168.8	-59.7	-44	0	0	0	108.6	F70 K71 R73 P138 Q141	F70-D118 CarbonylContact C-O 3.6Å; F70-D118 VanDerWaalsContact CA-O 3.27Å; F70-D118 WeakPolarHBondContact CA-O 3.22Å; K71-D118 PolarHBondContact N-O 2.79Å; K71-D118 PolarHBondContact O-N 2.91Å; R73-D118 IonicContact CZ-OD1 3.15Å; R73-D118 IonicContact CZ-OD2 2.66Å; R73-D118 IonicContact NE-OD2 2.92Å; R73-D118 PolarHBondContact NE-OD2 2.83Å; R73-D118 VanDerWaalsContact NH2-CG 3.26Å; R73-D118 IonicContact NH2-OD1 2.81Å; R73-D118 PolarHBondContact NH2-OD1 2.95Å; R73-D118 IonicContact NH2-OD2 3.96Å; R73-D118 PolarHBondContact NH2-OD2 2.8Å; D118-P138 HydrophobicContact CB-CB 3.98Å; D118-Q141 PolarHBondContact OD1-NE2 2.91Å
119	F	89.9	Confident	73	Confident	0 Å²	0	80.7 Å²	80.7	0%	0	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	132.8	178.7	-65.7	-82.1	0	0	0	110.7	I37 I39 I60 V68 A69 F70 F117 P138 F139 C140 V142	I37-F119 HydrophobicContact CD1-CB 3.88Å; I37-F119 HydrophobicContact CD1-CD1 3.69Å; I37-F119 HydrophobicContact CD1-CD2 4.14Å; I37-F119 HydrophobicContact CD1-CE1 4.23Å; I37-F119 HydrophobicContact CD1-CG 3.63Å; I37-F119 HydrophobicContact CG2-CD1 4.35Å; I37-F119 HydrophobicContact CG2-CD2 4.49Å; I37-F119 HydrophobicContact CG2-CE1 3.81Å; I37-F119 HydrophobicContact CG2-CE2 3.97Å; I37-F119 HydrophobicContact CG2-CZ 3.6Å; I39-F119 HydrophobicContact CD1-CZ 4.35Å; I60-F119 HydrophobicContact CG2-CE1 3.85Å; I60-F119 HydrophobicContact CG2-CZ 3.99Å; V68-F119 HydrophobicContact CG2-CD1 4.39Å; A69-F119 CarbonylContact O-C 3.51Å; A69-F119 VanDerWaalsContact O-CA 3.27Å; A69-F119 WeakPolarHBondContact O-CA 3.5Å; F70-F119 HydrophobicContact CB-CD1 3.6Å; F70-F119 HydrophobicContact CB-CE1 3.45Å; F70-F119 VanDerWaalsContact CB-CE1 3.45Å; F70-F119 HydrophobicContact CB-CZ 4.33Å; F70-F119 HydrophobicContact CG-CE1 4.4Å; F117-F119 HydrophobicContact CB-CD2 4.24Å; F117-F119 HydrophobicContact CB-CE2 3.46Å; F117-F119 VanDerWaalsContact CB-CE2 3.46Å; F117-F119 HydrophobicContact CB-CZ 3.79Å; F117-F119 HydrophobicContact CD1-CZ 4.27Å; F117-F119 HydrophobicContact CG-CE2 4.4Å; F117-F119 HydrophobicContact CG-CZ 4.33Å; F119-P138 CarbonylContact O-C 3.43Å; F119-P138 VanDerWaalsContact O-CA 3.22Å; F119-P138 WeakPolarHBondContact O-CA 3.21Å; F119-F139 HydrophobicContact CB-CE1 4.23Å; F119-F139 VanDerWaalsContact O-CD1 3.3Å; F119-F139 WeakPolarHBondContact O-CD1 3.5Å; F119-F139 PolarHBondContact O-N 3.5Å; F119-C140 HydrophobicContact CB-CB 4.16Å; F119-C140 PolarHBondContact N-O 2.89Å; F119-C140 PolarHBondContact O-N 2.95Å; F119-V142 HydrophobicContact CD2-CG2 4.15Å; F119-V142 HydrophobicContact CE2-CB 3.95Å; F119-V142 HydrophobicContact CE2-CG2 3.66Å
120	A	87.4	Confident	72.6	Confident	7 Å²	7	80.6 Å²	80.6	6%	0.058	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	149.6	175.3	0	0	0	0	0	110.8	V68 A69 L136	V68-A120 CarbonylContact C-O 3.59Å; V68-A120 WeakPolarHBondContact CA-O 3.27Å; A69-A120 PolarHBondContact N-O 3.22Å; A69-A120 PolarHBondContact O-N 3.46Å; A120-L136 HydrophobicContact CB-CB 3.55Å; A120-L136 HydrophobicContact CB-CD1 3.88Å; A120-L136 HydrophobicContact CB-CG 4.25Å
121	R	86.2	Confident	72.2	Confident	135 Å²	135	79 Å²	79	51%	0.509	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	132.3	174.2	-177.7	171.8	-176.1	-179	1.6	108.4	F66 T123 F139	F66-R121 HydrophobicContact CD2-CB 4.48Å; F66-R121 HydrophobicContact CD2-CG 3.7Å; F66-R121 HydrophobicContact CE2-CB 4.14Å; F66-R121 HydrophobicContact CE2-CG 3.73Å; F66-R121 HydrophobicContact CG-CG 4.34Å; F66-R121 HydrophobicContact CZ-CG 4.4Å; R121-T123 HydrophobicContact CG-CG2 4Å; R121-T123 PolarHBondContact O-N 3.13Å; R121-F139 HydrophobicContact CB-CD1 4.24Å; R121-F139 HydrophobicContact CB-CE1 4.33Å
122	L	79	Confident	71.4	Confident	26 Å²	26	71.6 Å²	71.6	14%	0.136	36%	0.364	C	S	.	.			trans	-83.2	101.2	170	-160.5	76.2	0	0	0	107.7	P67 V126 L132 L136	P67-L122 HydrophobicContact CB-CB 4.31Å; P67-L122 HydrophobicContact CB-CD2 4.29Å; P67-L122 HydrophobicContact CG-CB 4.1Å; P67-L122 HydrophobicContact CG-CD2 4.16Å; P67-L122 PolarHBondContact O-N 3.22Å; L122-V126 HydrophobicContact CD1-CB 3.93Å; L122-V126 HydrophobicContact CD1-CG2 3.72Å; L122-V126 HydrophobicContact CD2-CB 4.32Å; L122-V126 HydrophobicContact CG-CB 4.3Å; L122-V126 HydrophobicContact CG-CG2 4.08Å; L122-L132 HydrophobicContact CD1-CD1 4.48Å; L122-L136 HydrophobicContact CD1-CD1 4.46Å
123	T	66.1	Low	70.2	Confident	85 Å²	85	73.7 Å²	73.7	52%	0.521	37%	0.371	S	S	.	.			trans	-94.4	120.7	171.5	52.2	0	0	0	0	107.7	R121	R121-T123 HydrophobicContact CG-CG2 4Å; R121-T123 PolarHBondContact O-N 3.13Å
124	E	62.6	Low	68.6	Low	173 Å²	173	77.9 Å²	77.9	81%	0.808	41%	0.406	S	S	*	.	S	Bend	trans	82.7	157.3	179.3	-51.5	176.4	-178.9	0	0	115.6	V126	E124-V126 PolarHBondContact O-N 3.33Å
125	N	54.9	Low	67.1	Low	154 Å²	154	77 Å²	77	82%	0.824	42%	0.416	S	S	*	.			trans	-66	74.7	-174.1	-70.2	-20.9	0	0	0	111	E127	N125-E127 PolarHBondContact O-N 3.13Å
126	V	53.7	Low	65.8	Low	53 Å²	53	79.5 Å²	79.5	32%	0.321	43%	0.429	S	S	.	.			trans	-73.1	81.2	172.3	-174.6	0	0	0	0	107.8	L122 E124 T128 L129	L122-V126 HydrophobicContact CD1-CB 3.93Å; L122-V126 HydrophobicContact CD1-CG2 3.72Å; L122-V126 HydrophobicContact CD2-CB 4.32Å; L122-V126 HydrophobicContact CG-CB 4.3Å; L122-V126 HydrophobicContact CG-CG2 4.08Å; E124-V126 PolarHBondContact O-N 3.33Å; V126-T128 WeakPolarHBondContact CG1-O 3.27Å; V126-T128 PolarHBondContact O-N 3.42Å; V126-L129 HydrophobicContact CG1-CD2 4.36Å
127	E	51.7	Low	64.9	Low	173 Å²	173	85.2 Å²	85.2	81%	0.808	46%	0.455	S	S	*	.			trans	-69	-17.4	170.5	-69.2	-176.7	170.6	0	0	111.4	N125	N125-E127 PolarHBondContact O-N 3.13Å
128	T	49.9	Very low	64.3	Low	111 Å²	111	88 Å²	88	68%	0.681	47%	0.474	S	S	*	.			trans	-134.2	116.8	-175.2	40.7	0	0	0	0	112.2	V126 E130	V126-T128 WeakPolarHBondContact CG1-O 3.27Å; V126-T128 PolarHBondContact O-N 3.42Å; T128-E130 VanDerWaalsContact C-N 3.32Å; T128-E130 PolarHBondContact O-N 3.36Å
129	L	51.2	Low	64	Low	30 Å²	30	88.8 Å²	88.8	16%	0.157	48%	0.476	C	S	.	.			trans	-86.2	58.5	177.3	-75.1	169.9	0	0	0	111.9	W88 V126 L132 W238	W88-L129 HydrophobicContact CD2-CD1 4.11Å; W88-L129 HydrophobicContact CE3-CD1 3.49Å; W88-L129 VanDerWaalsContact CE3-CD1 3.49Å; W88-L129 HydrophobicContact CE3-CD2 3.74Å; W88-L129 HydrophobicContact CE3-CG 3.76Å; W88-L129 HydrophobicContact CH2-CD1 3.37Å; W88-L129 HydrophobicContact CH2-CD2 4.5Å; W88-L129 HydrophobicContact CH2-CG 3.64Å; W88-L129 HydrophobicContact CZ2-CD1 3.99Å; W88-L129 HydrophobicContact CZ3-CD1 3.15Å; W88-L129 HydrophobicContact CZ3-CD2 3.55Å; W88-L129 HydrophobicContact CZ3-CG 3.13Å; V126-L129 HydrophobicContact CG1-CD2 4.36Å; L129-L132 HydrophobicContact CD2-CB 4.3Å; L129-L132 HydrophobicContact CD2-CD1 3.36Å; L129-L132 HydrophobicContact CD2-CG 4.43Å; L129-W238 HydrophobicContact CB-CH2 4.08Å; L129-W238 HydrophobicContact CB-CZ2 3.78Å; L129-W238 HydrophobicContact CD1-CZ2 3.75Å; L129-W238 HydrophobicContact CG-CZ2 4.44Å
130	E	52.2	Low	63.8	Low	178 Å²	178	89 Å²	89	83%	0.832	48%	0.477	S	S	*	.	S	Bend	trans	-85.3	138.1	161.8	-79.4	-148.6	149.6	0	0	110.6	T128 L132	T128-E130 VanDerWaalsContact C-N 3.32Å; T128-E130 PolarHBondContact O-N 3.36Å; E130-L132 PolarHBondContact O-N 2.66Å
131	P	52.1	Low	63.9	Low	84 Å²	84	92.8 Å²	92.8	55%	0.545	49%	0.494	S	S	.	.				-62	122.7	-108.5	32.4	-30.1	0	0	0	111.2	N133	P131-N133 HydrophobicContact CB-CB 4.28Å; P131-N133 PolarHBondContact O-N 2.81Å
132	L	50.7	Low	64.1	Low	42 Å²	42	88 Å²	88	22%	0.22	48%	0.48	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.9	4.6	169.9	-157.4	112.3	0	0	0	114.8	A69 L122 L129 E130 L136	A69-L132 HydrophobicContact CB-CD1 3.84Å; A69-L132 HydrophobicContact CB-CD2 3.6Å; A69-L132 HydrophobicContact CB-CG 4.32Å; L122-L132 HydrophobicContact CD1-CD1 4.48Å; L129-L132 HydrophobicContact CD2-CB 4.3Å; L129-L132 HydrophobicContact CD2-CD1 3.36Å; L129-L132 HydrophobicContact CD2-CG 4.43Å; E130-L132 PolarHBondContact O-N 2.66Å; L132-L136 HydrophobicContact CD1-CD1 3.43Å; L132-L136 VanDerWaalsContact CD1-CD1 3.43Å; L132-L136 HydrophobicContact CD1-CG 4.42Å; L132-L136 HydrophobicContact CD2-CD1 3.97Å; L132-L136 HydrophobicContact CG-CD1 3.55Å; L132-L136 HydrophobicContact CG-CG 4.23Å
133	N	50.9	Low	64.6	Low	107 Å²	107	91.7 Å²	91.7	57%	0.572	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.4	-15.8	-174.7	-76.3	-36.4	0	0	0	114.8	K71 P131	K71-N133 WeakPolarHBondContact CE-OD1 3.29Å; K71-N133 PolarHBondContact NZ-OD1 3.45Å; P131-N133 HydrophobicContact CB-CB 4.28Å; P131-N133 PolarHBondContact O-N 2.81Å
134	A	49.5	Very low	65.8	Low	94 Å²	94	87.9 Å²	87.9	78%	0.777	47%	0.474	S	S	*	.	S	Bend	trans	-115.4	-23.4	-170.7	0	0	0	0	0	115.5
135	T	56	Low	67	Low	117 Å²	117	83.7 Å²	83.7	72%	0.718	45%	0.454	S	S	*	.	S	Bend	trans	-118.6	-11.9	-162.6	7.2	0	0	0	0	115.5
136	L	63.8	Low	68.6	Low	51 Å²	51	76.3 Å²	76.3	27%	0.267	42%	0.415	S	S	.	.			trans	-102.5	104.8	-175.3	-72.1	-165.9	0	0	0	111	A69 A120 L122 L132	A69-L136 HydrophobicContact CB-CD1 3.96Å; A120-L136 HydrophobicContact CB-CB 3.55Å; A120-L136 HydrophobicContact CB-CD1 3.88Å; A120-L136 HydrophobicContact CB-CG 4.25Å; L122-L136 HydrophobicContact CD1-CD1 4.46Å; L132-L136 HydrophobicContact CD1-CD1 3.43Å; L132-L136 VanDerWaalsContact CD1-CD1 3.43Å; L132-L136 HydrophobicContact CD1-CG 4.42Å; L132-L136 HydrophobicContact CD2-CD1 3.97Å; L132-L136 HydrophobicContact CG-CD1 3.55Å; L132-L136 HydrophobicContact CG-CG 4.23Å
137	E	72.8	Confident	70	Confident	147 Å²	147	75.6 Å²	75.6	69%	0.687	41%	0.412	S	S	*	.			trans	-67.9	124.3	171.1	-67.4	-167.6	163.5	0	0	109.7	F139	E137-F139 PolarHBondContact O-N 2.92Å
138	P	79.6	Confident	71.3	Confident	60 Å²	60	68.2 Å²	68.2	39%	0.39	38%	0.377	S	S	.	.			trans	-69.1	123.7	179.5	28.2	-33.2	0	0	0	110.1	D118 F119	D118-P138 HydrophobicContact CB-CB 3.98Å; F119-P138 CarbonylContact O-C 3.43Å; F119-P138 VanDerWaalsContact O-CA 3.22Å; F119-P138 WeakPolarHBondContact O-CA 3.21Å
139	F	84.4	Confident	72.2	Confident	37 Å²	37	64.2 Å²	64.2	16%	0.162	35%	0.354	C	S	.	.	S	Bend	trans	-91.5	-18.4	175.5	79.7	-87	0	0	0	112.1	M32 E33 I37 Y64 F66 V68 F119 R121 E137	M32-F139 WeakPolarHBondContact CA-O 3.17Å; E33-F139 HydrophobicContact CB-CD2 4.25Å; E33-F139 PolarHBondContact N-O 2.67Å; I37-F139 HydrophobicContact CD1-CZ 4.2Å; Y64-F139 HydrophobicContact CD2-CZ 4.33Å; Y64-F139 AromaticContact CE2-CE2 3.82Å; Y64-F139 HydrophobicContact CE2-CE2 3.82Å; Y64-F139 AromaticContact CE2-CZ 3.77Å; Y64-F139 HydrophobicContact CE2-CZ 3.77Å; Y64-F139 AromaticContact CZ-CE2 3.71Å; Y64-F139 WeakPolarHBondContact OH-CE2 3.38Å; F66-F139 HydrophobicContact CE2-CZ 4.27Å; V68-F139 HydrophobicContact CG1-CE1 4.34Å; V68-F139 HydrophobicContact CG1-CZ 4.28Å; F119-F139 HydrophobicContact CB-CE1 4.23Å; F119-F139 VanDerWaalsContact O-CD1 3.3Å; F119-F139 WeakPolarHBondContact O-CD1 3.5Å; F119-F139 PolarHBondContact O-N 3.5Å; R121-F139 HydrophobicContact CB-CD1 4.24Å; R121-F139 HydrophobicContact CB-CE1 4.33Å; E137-F139 PolarHBondContact O-N 2.92Å
140	C	85.6	Confident	72.7	Confident	4 Å²	4	70.2 Å²	70.2	3%	0.027	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.2	144.6	-178.6	-175.2	0	0	0	0	110.5	E33 G35 F119	E33-C140 PolarHBondContact O-SG 2.8Å; E33-C140 VanDerWaalsContact O-SG 3.37Å; G35-C140 VanDerWaalsContact CA-SG 3.57Å; F119-C140 HydrophobicContact CB-CB 4.16Å; F119-C140 PolarHBondContact N-O 2.89Å; F119-C140 PolarHBondContact O-N 2.95Å
141	Q	89.4	Confident	72.5	Confident	88 Å²	88	65.4 Å²	65.4	41%	0.411	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	135	173.2	178.8	179.9	92.9	0	0	110.3	M32 I116 F117 D118	M32-Q141 HydrophobicContact CE-CB 3.27Å; M32-Q141 HydrophobicContact CE-CG 4.46Å; M32-Q141 HydrophobicContact SD-CB 4.11Å; I116-Q141 HydrophobicContact CG2-CG 3.6Å; I116-Q141 VanDerWaalsContact CG2-NE2 3.33Å; F117-Q141 CarbonylContact O-C 3.52Å; F117-Q141 WeakPolarHBondContact O-CA 3.4Å; F117-Q141 WeakPolarHBondContact O-CG 3.42Å; D118-Q141 PolarHBondContact OD1-NE2 2.91Å
142	V	89.3	Confident	72.4	Confident	34 Å²	34	66.5 Å²	66.5	21%	0.206	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	130.5	175.4	-176.9	0	0	0	0	109.1	I39 F117 F119	I39-V142 HydrophobicContact CD1-CB 3.9Å; I39-V142 HydrophobicContact CD1-CG1 3.63Å; I39-V142 HydrophobicContact CG1-CG1 4.07Å; F117-V142 HydrophobicContact CB-CB 4.38Å; F117-V142 PolarHBondContact N-O 2.84Å; F117-V142 PolarHBondContact O-N 3.2Å; F119-V142 HydrophobicContact CD2-CG2 4.15Å; F119-V142 HydrophobicContact CE2-CB 3.95Å; F119-V142 HydrophobicContact CE2-CG2 3.66Å
143	M	90.7	Very high	72.3	Confident	104 Å²	104	68.7 Å²	68.7	51%	0.512	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	122.9	179.2	-175.3	174.4	51.8	0	0	110.2	R114 A115	R114-M143 HydrophobicContact CB-CG 4.13Å; R114-M143 HydrophobicContact CB-SD 4.32Å; R114-M143 WeakPolarHBondContact CD-SD 3.39Å; R114-M143 HydrophobicContact CG-CG 4.22Å; R114-M143 HydrophobicContact CG-SD 4.02Å; R114-M143 PolarHBondContact NH1-SD 2.82Å; R114-M143 VanDerWaalsContact NH1-SD 3.36Å; A115-M143 CarbonylContact O-C 3.48Å; A115-M143 WeakPolarHBondContact O-CA 3.38Å
144	L	90.4	Very high	72.3	Confident	4 Å²	4	72.4 Å²	72.4	2%	0.021	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	125	176.4	179.9	66.8	0	0	0	110	I39 P41 R42 L44 L58 I99 R114 A115 F117 L146	I39-L144 HydrophobicContact CG2-CD1 4.38Å; I39-L144 HydrophobicContact CG2-CD2 4.44Å; P41-L144 VanDerWaalsContact O-CD1 3.31Å; P41-L144 WeakPolarHBondContact O-CD1 3.5Å; R42-L144 VanDerWaalsContact O-CD1 3.25Å; R42-L144 WeakPolarHBondContact O-CD1 3.16Å; L44-L144 HydrophobicContact CD1-CD2 3.73Å; L44-L144 HydrophobicContact CG-CD2 4.25Å; L58-L144 HydrophobicContact CD2-CD2 4Å; I99-L144 HydrophobicContact CD1-CD2 3.98Å; R114-L144 WeakPolarHBondContact CA-O 3.25Å; A115-L144 HydrophobicContact CB-CB 4.04Å; A115-L144 HydrophobicContact CB-CD2 4.44Å; A115-L144 PolarHBondContact N-O 2.83Å; A115-L144 PolarHBondContact O-N 2.92Å; F117-L144 HydrophobicContact CE2-CB 4.05Å; F117-L144 HydrophobicContact CE2-CD2 4.27Å; L144-L146 HydrophobicContact CD2-CD2 4.25Å; L144-L146 HydrophobicContact CG-CD2 4.46Å
145	Q	88.5	Confident	72.3	Confident	85 Å²	85	73.8 Å²	73.8	40%	0.397	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.1	122.6	174.2	-172.9	176.4	-4	0	0	110.4	L44	L44-Q145 PolarHBondContact N-O 2.81Å
146	L	87.4	Confident	72.1	Confident	0 Å²	0	74.6 Å²	74.6	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	130.9	170.1	-59.4	179.4	0	0	0	108.8	L44 L46 W74 L80 I99 S112 D113 L144	L44-L146 HydrophobicContact CB-CD2 3.67Å; L44-L146 HydrophobicContact CD1-CD2 3.83Å; L44-L146 HydrophobicContact CG-CD2 4.29Å; L46-L146 HydrophobicContact CD1-CD1 4.33Å; L46-L146 HydrophobicContact CD1-CD2 4.41Å; W74-L146 HydrophobicContact CE3-CD1 4.17Å; W74-L146 HydrophobicContact CZ3-CD1 3.71Å; L80-L146 HydrophobicContact CD1-CD1 3.41Å; L80-L146 VanDerWaalsContact CD1-CD1 3.41Å; L80-L146 HydrophobicContact CD2-CD1 4.12Å; L80-L146 HydrophobicContact CG-CD1 4.42Å; I99-L146 HydrophobicContact CG2-CD2 4.46Å; S112-L146 CarbonylContact C-O 3.45Å; S112-L146 WeakPolarHBondContact CA-O 3.45Å; S112-L146 VanDerWaalsContact CB-O 3.25Å; S112-L146 WeakPolarHBondContact CB-O 3.2Å; D113-L146 HydrophobicContact CB-CB 4.32Å; D113-L146 HydrophobicContact CB-CD1 4.46Å; D113-L146 PolarHBondContact N-O 3.35Å; D113-L146 PolarHBondContact O-N 2.58Å; L144-L146 HydrophobicContact CD2-CD2 4.25Å; L144-L146 HydrophobicContact CG-CD2 4.46Å
147	S	83.7	Confident	71.5	Confident	37 Å²	37	78 Å²	78	26%	0.259	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	145.5	171.9	-65.8	0	0	0	0	109.2	L44 L45 L46	L44-S147 PolarHBondContact O-N 2.91Å; L45-S147 WeakPolarHBondContact CA-O 3.39Å; L46-S147 PolarHBondContact N-O 3.21Å
148	Y	78.9	Confident	70.5	Confident	18 Å²	18	80.1 Å²	80.1	7%	0.071	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	137.7	171.6	-52.5	-71.7	0	0	0	109.1	L46 L80 L101 F108 Y110 R111 D113	L46-Y148 HydrophobicContact CB-CD1 4.07Å; L46-Y148 HydrophobicContact CB-CE1 4.27Å; L46-Y148 HydrophobicContact CD1-CE1 4.21Å; L46-Y148 WeakPolarHBondContact O-CA 3.37Å; L80-Y148 WeakPolarHBondContact CD1-OH 3.35Å; L80-Y148 HydrophobicContact CD2-CE1 4.21Å; L101-Y148 HydrophobicContact CD2-CD1 4.23Å; L101-Y148 HydrophobicContact CD2-CE1 4.27Å; F108-Y148 AromaticContact CD1-CD2 3.83Å; F108-Y148 HydrophobicContact CD1-CD2 3.83Å; F108-Y148 HydrophobicContact CD1-CE1 4.49Å; F108-Y148 AromaticContact CD1-CE2 3.73Å; F108-Y148 HydrophobicContact CD1-CE2 3.73Å; F108-Y148 HydrophobicContact CD1-CG 4.24Å; F108-Y148 HydrophobicContact CD2-CD1 4.33Å; F108-Y148 HydrophobicContact CD2-CG 4.37Å; F108-Y148 HydrophobicContact CE1-CD1 4.24Å; F108-Y148 AromaticContact CE1-CD2 3.96Å; F108-Y148 HydrophobicContact CE1-CD2 3.96Å; F108-Y148 AromaticContact CE1-CE1 3.78Å; F108-Y148 HydrophobicContact CE1-CE1 3.78Å; F108-Y148 AromaticContact CE1-CE2 3.44Å; F108-Y148 HydrophobicContact CE1-CE2 3.44Å; F108-Y148 VanDerWaalsContact CE1-CE2 3.44Å; F108-Y148 HydrophobicContact CE1-CG 4.31Å; F108-Y148 AromaticContact CE1-CZ 3.33Å; F108-Y148 AromaticContact CE2-CD1 3.99Å; F108-Y148 HydrophobicContact CE2-CD1 3.99Å; F108-Y148 AromaticContact CE2-CE1 3.96Å; F108-Y148 HydrophobicContact CE2-CE1 3.96Å; F108-Y148 HydrophobicContact CE2-CG 4.44Å; F108-Y148 HydrophobicContact CG-CD2 4.23Å; F108-Y148 HydrophobicContact CG-CG 4.25Å; F108-Y148 AromaticContact CZ-CD1 3.96Å; F108-Y148 HydrophobicContact CZ-CD1 3.96Å; F108-Y148 HydrophobicContact CZ-CD2 4.49Å; F108-Y148 AromaticContact CZ-CE1 3.48Å; F108-Y148 HydrophobicContact CZ-CE1 3.48Å; F108-Y148 VanDerWaalsContact CZ-CE1 3.48Å; F108-Y148 HydrophobicContact CZ-CE2 4.07Å; F108-Y148 HydrophobicContact CZ-CG 4.43Å; F108-Y148 AromaticContact CZ-CZ 3.53Å; Y110-Y148 VanDerWaalsContact O-CD2 3.3Å; Y110-Y148 WeakPolarHBondContact O-CD2 3.48Å; R111-Y148 PolarHBondContact O-N 2.76Å; D113-Y148 HydrophobicContact CB-CE2 3.98Å; D113-Y148 VanDerWaalsContact CB-OH 3.32Å; D113-Y148 WeakPolarHBondContact CB-OH 3.36Å
149	S	69.3	Low	69.3	Low	28 Å²	28	82.9 Å²	82.9	20%	0.196	39%	0.392	C	S	.	.			trans	-63.4	151.8	168.3	61.4	0	0	0	0	109.7	L46 L47 P48	L46-S149 PolarHBondContact O-N 2.8Å; L47-S149 VanDerWaalsContact CD2-CB 3.49Å; L47-S149 WeakPolarHBondContact CD2-OG 3.49Å; P48-S149 WeakPolarHBondContact CD-OG 3.48Å
150	K	60.9	Low	67.9	Low	156 Å²	156	87.5 Å²	87.5	68%	0.678	41%	0.414	S	S	*	.			trans	-58.1	139.3	161.7	-69	-178.7	-178.5	175.2	0	107	I152	K150-I152 PolarHBondContact O-N 3.07Å
151	P	49.7	Very low	66.5	Low	76 Å²	76	91.5 Å²	91.5	49%	0.494	43%	0.434	S	S	.	.			trans	-54.5	113.5	171.4	24.7	-34.1	0	0	0	107.5	V107 N153	V107-P151 HydrophobicContact CB-CG 4.47Å; V107-P151 HydrophobicContact CG1-CG 3.75Å; V107-P151 HydrophobicContact CG2-CB 4.44Å; V107-P151 HydrophobicContact CG2-CG 3.93Å; P151-N153 PolarHBondContact O-N 3.32Å
152	I	49.3	Very low	64.8	Low	107 Å²	107	91.2 Å²	91.2	55%	0.549	44%	0.435	S	S	.	.			trans	-69	109.2	176.1	-60.1	173.4	0	0	0	104.9	K150 K154 K157	K150-I152 PolarHBondContact O-N 3.07Å; I152-K154 PolarHBondContact O-N 3.44Å; I152-K154 VanDerWaalsContact O-N 3.17Å; I152-K157 HydrophobicContact CG2-CB 3.8Å
153	N	48.3	Very low	63.2	Low	89 Å²	89	93.2 Å²	93.2	48%	0.476	45%	0.447	S	S	.	.			trans	-55	124.6	166	-177.5	-1.9	0	0	0	106.2	P151 E155 K156 K157	P151-N153 PolarHBondContact O-N 3.32Å; N153-E155 PolarHBondContact ND2-OE2 3.36Å; N153-E155 PolarHBondContact O-N 2.9Å; N153-E155 PolarHBondContact OD1-N 3.42Å; N153-K156 PolarHBondContact O-N 3.48Å; N153-K157 PolarHBondContact O-N 3.43Å
154	K	50.1	Low	61.5	Low	184 Å²	184	90.9 Å²	90.9	80%	0.8	44%	0.444	S	S	*	.	H	α-helix	trans	-48.4	-31.4	-178.7	-73	-174.4	175.1	-175.1	0	111.6	I152 K157 R158	I152-K154 PolarHBondContact O-N 3.44Å; I152-K154 VanDerWaalsContact O-N 3.17Å; K154-K157 PolarHBondContact O-N 2.8Å; K154-R158 PolarHBondContact O-N 2.82Å
155	E	51.3	Low	59.7	Low	123 Å²	123	95.2 Å²	95.2	58%	0.575	47%	0.467	S	S	*	.	H	α-helix	trans	-61.3	-41.5	176	-156.3	163	-154.9	0	0	113.8	N153 R158 Q159	N153-E155 PolarHBondContact ND2-OE2 3.36Å; N153-E155 PolarHBondContact O-N 2.9Å; N153-E155 PolarHBondContact OD1-N 3.42Å; E155-R158 PolarHBondContact O-N 2.8Å; E155-Q159 WeakPolarHBondContact O-CG 3.3Å; E155-Q159 PolarHBondContact O-N 2.87Å; E155-Q159 VanDerWaalsContact O-N 3.08Å
156	K	50.2	Low	58.1	Low	134 Å²	134	96.8 Å²	96.8	58%	0.583	48%	0.475	S	S	*	.	H	α-helix	trans	-71.5	-35.3	175.6	-74.5	-166.2	175.4	-170.2	0	112.7	N153 R158 Q159 Q160	N153-K156 PolarHBondContact O-N 3.48Å; K156-R158 VanDerWaalsContact C-N 3.32Å; K156-Q159 PolarHBondContact O-N 2.93Å; K156-Q160 WeakPolarHBondContact O-CG 3.42Å; K156-Q160 PolarHBondContact O-N 2.9Å
157	K	52.1	Low	56.5	Low	124 Å²	124	101.9 Å²	101.9	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-63.1	-41.9	174.3	-163.1	179	178	-173.2	0	110.4	I152 N153 K154 Q160 L161	I152-K157 HydrophobicContact CG2-CB 3.8Å; N153-K157 PolarHBondContact O-N 3.43Å; K154-K157 PolarHBondContact O-N 2.8Å; K157-Q160 PolarHBondContact O-N 2.93Å; K157-L161 HydrophobicContact CG-CD1 4.21Å; K157-L161 PolarHBondContact O-N 2.8Å
158	R	51.9	Low	54.9	Low	191 Å²	191	103.3 Å²	103.3	72%	0.721	52%	0.515	S	S	*	.	H	α-helix	trans	-64.3	-42.4	177.5	-163	176.8	179.5	-178	-0.6	111.9	K154 E155 K156 L161 I162	K154-R158 PolarHBondContact O-N 2.82Å; E155-R158 PolarHBondContact O-N 2.8Å; K156-R158 VanDerWaalsContact C-N 3.32Å; R158-L161 PolarHBondContact O-N 2.91Å; R158-I162 HydrophobicContact CG-CD1 4.26Å; R158-I162 WeakPolarHBondContact O-CD1 3.07Å; R158-I162 VanDerWaalsContact O-CG1 3.25Å; R158-I162 WeakPolarHBondContact O-CG1 3.25Å; R158-I162 PolarHBondContact O-N 2.84Å
159	Q	54.6	Low	53.6	Low	118 Å²	118	107.3 Å²	107.3	55%	0.551	54%	0.541	S	S	*	.	H	α-helix	trans	-63.7	-42.3	175.7	-73.5	173.6	-11.8	0	0	112.7	E155 K156 I162 V163	E155-Q159 WeakPolarHBondContact O-CG 3.3Å; E155-Q159 PolarHBondContact O-N 2.87Å; E155-Q159 VanDerWaalsContact O-N 3.08Å; K156-Q159 PolarHBondContact O-N 2.93Å; Q159-I162 PolarHBondContact O-N 2.78Å; Q159-V163 WeakPolarHBondContact O-CG2 3.39Å; Q159-V163 PolarHBondContact O-N 2.85Å; Q159-V163 VanDerWaalsContact O-N 3.07Å
160	Q	54.8	Low	52.7	Low	133 Å²	133	110 Å²	110	62%	0.621	56%	0.56	S	S	*	*	H	α-helix	trans	-66.3	-37.4	177.6	-74.2	178.3	-8.3	0	0	112.8	K156 K157 V163 A164	K156-Q160 WeakPolarHBondContact O-CG 3.42Å; K156-Q160 PolarHBondContact O-N 2.9Å; K157-Q160 PolarHBondContact O-N 2.93Å; Q160-V163 PolarHBondContact O-N 2.93Å; Q160-A164 WeakPolarHBondContact O-CB 3.38Å; Q160-A164 PolarHBondContact O-N 3.26Å
161	L	55.3	Low	51.9	Low	88 Å²	88	109 Å²	109	46%	0.461	56%	0.562	S	S	.	*	H	α-helix	trans	-66.8	-36.1	174.5	-102.7	139.9	0	0	0	112.5	K157 R158 N165	K157-L161 HydrophobicContact CG-CD1 4.21Å; K157-L161 PolarHBondContact O-N 2.8Å; R158-L161 PolarHBondContact O-N 2.91Å; L161-N165 VanDerWaalsContact O-CB 3.26Å; L161-N165 WeakPolarHBondContact O-CB 3.27Å; L161-N165 VanDerWaalsContact O-CG 3.32Å; L161-N165 PolarHBondContact O-N 2.84Å
162	I	54.8	Low	51.7	Low	82 Å²	82	112.6 Å²	112.6	42%	0.421	58%	0.577	S	S	.	*	H	α-helix	trans	-64.1	-47.9	174.3	-68.6	162.5	0	0	0	110.1	R158 Q159 A164 N165 E166	R158-I162 HydrophobicContact CG-CD1 4.26Å; R158-I162 WeakPolarHBondContact O-CD1 3.07Å; R158-I162 VanDerWaalsContact O-CG1 3.25Å; R158-I162 WeakPolarHBondContact O-CG1 3.25Å; R158-I162 PolarHBondContact O-N 2.84Å; Q159-I162 PolarHBondContact O-N 2.78Å; I162-A164 PolarHBondContact O-N 2.88Å; I162-N165 PolarHBondContact O-N 2.82Å; I162-E166 HydrophobicContact CG2-CG 4.49Å; I162-E166 WeakPolarHBondContact O-CB 3.35Å; I162-E166 WeakPolarHBondContact O-CG 3.25Å; I162-E166 PolarHBondContact O-N 2.89Å
163	V	56	Low	51.1	Low	77 Å²	77	114.8 Å²	114.8	47%	0.467	59%	0.585	S	S	.	*	H	α-helix	trans	-65.4	-40.3	179.2	175.2	0	0	0	0	112	Q159 Q160 E166 I167	Q159-V163 WeakPolarHBondContact O-CG2 3.39Å; Q159-V163 PolarHBondContact O-N 2.85Å; Q159-V163 VanDerWaalsContact O-N 3.07Å; Q160-V163 PolarHBondContact O-N 2.93Å; V163-E166 PolarHBondContact O-N 2.98Å; V163-I167 HydrophobicContact CG1-CD1 4.03Å; V163-I167 WeakPolarHBondContact O-CD1 3.49Å; V163-I167 VanDerWaalsContact O-CG1 3.28Å; V163-I167 WeakPolarHBondContact O-CG1 3.42Å; V163-I167 PolarHBondContact O-N 3.29Å; V163-I167 VanDerWaalsContact O-N 3.12Å
164	A	54.4	Low	50.6	Low	54 Å²	54	120.7 Å²	120.7	45%	0.446	60%	0.601	S	S	.	*	H	α-helix	trans	-68	-38	177.3	0	0	0	0	0	112.3	Q160 I162 A168	Q160-A164 WeakPolarHBondContact O-CB 3.38Å; Q160-A164 PolarHBondContact O-N 3.26Å; I162-A164 PolarHBondContact O-N 2.88Å; A164-A168 WeakPolarHBondContact O-CB 3.43Å; A164-A168 PolarHBondContact O-N 2.9Å
165	N	52.3	Low	50	Low	96 Å²	96	118.2 Å²	118.2	51%	0.513	60%	0.596	S	S	.	*	H	α-helix	trans	-69.7	-38.5	174.3	-78.5	-7.1	0	0	0	111.7	L161 I162 I167 A168 T169	L161-N165 VanDerWaalsContact O-CB 3.26Å; L161-N165 WeakPolarHBondContact O-CB 3.27Å; L161-N165 VanDerWaalsContact O-CG 3.32Å; L161-N165 PolarHBondContact O-N 2.84Å; I162-N165 PolarHBondContact O-N 2.82Å; N165-I167 VanDerWaalsContact C-N 3.32Å; N165-I167 PolarHBondContact O-N 2.9Å; N165-A168 PolarHBondContact O-N 2.92Å; N165-T169 WeakPolarHBondContact O-CB 3.34Å; N165-T169 WeakPolarHBondContact O-CG2 3.15Å; N165-T169 PolarHBondContact O-N 3.01Å; N165-T169 PolarHBondContact O-OG1 3.29Å
166	E	54.6	Low	49.3	Very low	118 Å²	118	118 Å²	118	55%	0.551	60%	0.603	S	S	*	*	H	α-helix	trans	-60.1	-41.3	175.3	-80.2	174	173.7	0	0	111.7	I162 V163 T169 S170	I162-E166 HydrophobicContact CG2-CG 4.49Å; I162-E166 WeakPolarHBondContact O-CB 3.35Å; I162-E166 WeakPolarHBondContact O-CG 3.25Å; I162-E166 PolarHBondContact O-N 2.89Å; V163-E166 PolarHBondContact O-N 2.98Å; E166-T169 PolarHBondContact O-OG1 3.37Å; E166-S170 VanDerWaalsContact O-CB 3.32Å; E166-S170 WeakPolarHBondContact O-CB 3.4Å; E166-S170 PolarHBondContact O-N 2.75Å; E166-S170 VanDerWaalsContact O-N 3.14Å
167	I	53.1	Low	48.5	Very low	107 Å²	107	118.6 Å²	118.6	55%	0.549	61%	0.612	S	S	.	*	H	α-helix	trans	-68.2	-43.4	175.5	-62.9	164	0	0	0	110.8	V163 N165 T169 S170	V163-I167 HydrophobicContact CG1-CD1 4.03Å; V163-I167 WeakPolarHBondContact O-CD1 3.49Å; V163-I167 VanDerWaalsContact O-CG1 3.28Å; V163-I167 WeakPolarHBondContact O-CG1 3.42Å; V163-I167 PolarHBondContact O-N 3.29Å; V163-I167 VanDerWaalsContact O-N 3.12Å; N165-I167 VanDerWaalsContact C-N 3.32Å; N165-I167 PolarHBondContact O-N 2.9Å; I167-T169 VanDerWaalsContact C-N 3.34Å; I167-T169 PolarHBondContact O-N 3.28Å; I167-S170 PolarHBondContact O-N 3.18Å
168	A	51	Low	48	Very low	66 Å²	66	121.7 Å²	121.7	55%	0.545	63%	0.628	S	S	.	*	H	α-helix	trans	-69.7	-27	179	0	0	0	0	0	113.7	A164 N165	A164-A168 WeakPolarHBondContact O-CB 3.43Å; A164-A168 PolarHBondContact O-N 2.9Å; N165-A168 PolarHBondContact O-N 2.92Å
169	T	50.9	Low	47.1	Very low	103 Å²	103	116.7 Å²	116.7	63%	0.632	63%	0.627	S	S	*	*	H	α-helix	trans	-87.1	-9.6	174.4	51.4	0	0	0	0	113.8	N165 E166 I167	N165-T169 WeakPolarHBondContact O-CB 3.34Å; N165-T169 WeakPolarHBondContact O-CG2 3.15Å; N165-T169 PolarHBondContact O-N 3.01Å; N165-T169 PolarHBondContact O-OG1 3.29Å; E166-T169 PolarHBondContact O-OG1 3.37Å; I167-T169 VanDerWaalsContact C-N 3.34Å; I167-T169 PolarHBondContact O-N 3.28Å
170	S	51.6	Low	46.4	Very low	83 Å²	83	118.9 Å²	118.9	58%	0.58	64%	0.643	S	S	*	*	S	Bend	trans	-88.8	-10.6	178.6	-172.5	0	0	0	0	113.5	E166 I167	E166-S170 VanDerWaalsContact O-CB 3.32Å; E166-S170 WeakPolarHBondContact O-CB 3.4Å; E166-S170 PolarHBondContact O-N 2.75Å; E166-S170 VanDerWaalsContact O-N 3.14Å; I167-S170 PolarHBondContact O-N 3.18Å
171	D	44.1	Very low	45.4	Very low	137 Å²	137	118.2 Å²	118.2	73%	0.733	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.8	1	-176.5	-90.1	-14.6	0	0	0	114.5
172	D	44.3	Very low	44.7	Very low	151 Å²	151	122.4 Å²	122.4	81%	0.807	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.9	21.8	-179	-87.9	-25.9	0	0	0	113.9
173	Q	38.2	Very low	43.7	Very low	152 Å²	152	127.2 Å²	127.2	71%	0.71	70%	0.696	S	S	*	*			trans	-140.7	112.3	-172.4	-119.2	164.7	63	0	0	112.4
174	W	37.5	Very low	43.1	Very low	214 Å²	214	128.3 Å²	128.3	81%	0.811	71%	0.713	S	S	*	*			trans	110.9	91.8	156.3	-63.8	82.6	0	0	0	118.7
175	L	37.5	Very low	42.2	Very low	132 Å²	132	133.1 Å²	133.1	69%	0.691	73%	0.731	S	S	*	*				66.7	102.2	120.5	-86.9	138.8	0	0	0	120.3	D177	L175-D177 PolarHBondContact O-N 2.8Å
176	V	35.6	Very low	41.4	Very low	119 Å²	119	132.2 Å²	132.2	72%	0.721	75%	0.745	S	S	*	*			trans	-23.1	114.6	130.6	-160.5	0	0	0	0	112.5
177	D	33.3	Very low	40.6	Very low	145 Å²	145	134.4 Å²	134.4	78%	0.775	76%	0.76	S	S	*	*				162	149.7	122	-90.3	-36.2	0	0	0	112.2	L175	L175-D177 PolarHBondContact O-N 2.8Å
178	E	42.1	Very low	39.8	Very low	190 Å²	190	132.8 Å²	132.8	89%	0.888	76%	0.763	S	S	*	*			trans	83.1	100.9	165.2	-73.1	-175.3	140	0	0	120.8
179	A	34	Very low	39.5	Very low	85 Å²	85	136.1 Å²	136.1	70%	0.702	77%	0.771	S	S	*	*			trans	-27.5	136.9	145.2	0	0	0	0	0	115.6
180	N	39.9	Very low	39.2	Very low	164 Å²	164	137.1 Å²	137.1	88%	0.877	77%	0.773	S	S	*	*				-170.4	125.7	117	-93.8	-35.4	0	0	0	111.3
181	S	33.7	Very low	38.8	Very low	119 Å²	119	141.3 Å²	141.3	83%	0.832	79%	0.789	S	S	*	*			trans	-61.7	128.7	169.1	-56.4	0	0	0	0	110.8
182	L	40.4	Very low	38.5	Very low	176 Å²	176	144.3 Å²	144.3	92%	0.921	80%	0.799	S	S	*	*			trans	-142.3	108	154.7	-93.3	167.8	0	0	0	109.5
183	Q	34.2	Very low	38.1	Very low	184 Å²	184	140.5 Å²	140.5	86%	0.86	80%	0.795	S	S	*	*			trans	-60	143.2	159.3	-68.8	171	-72.6	0	0	109.4
184	A	41.8	Very low	38.1	Very low	100 Å²	100	139.6 Å²	139.6	83%	0.826	80%	0.802	S	S	*	*			trans	-152.6	125.7	149.3	0	0	0	0	0	109.7
185	D	37.4	Very low	37.7	Very low	155 Å²	155	134.1 Å²	134.1	83%	0.829	80%	0.802	S	S	*	*			trans	-67.5	161.5	-174.8	-63.1	-63.7	0	0	0	115.6
186	G	33.9	Very low	37.8	Very low	77 Å²	77	134.6 Å²	134.6	79%	0.794	81%	0.811	S	S	*	*			trans	79.7	143.6	151.4	0	0	0	0	0	115.5
187	N	38.8	Very low	37.7	Very low	163 Å²	163	134.7 Å²	134.7	87%	0.872	82%	0.817	S	S	*	*			cis	-159.6	142.2	25.1	-161.5	15.5	0	0	0	108.4
188	A	35.9	Very low	37.5	Very low	74 Å²	74	131 Å²	131	61%	0.612	81%	0.814	S	S	*	*			trans	-72.6	146.1	168.9	0	0	0	0	0	110.1
189	D	44.9	Very low	36.9	Very low	135 Å²	135	129.9 Å²	129.9	72%	0.722	81%	0.814	S	S	*	*				179.6	127	128.1	-102.5	3.2	0	0	0	114.1
190	N	45	Very low	36.6	Very low	124 Å²	124	131.8 Å²	131.8	66%	0.663	82%	0.821	S	S	*	*			trans	73.7	103.1	137.5	-50.9	-26	0	0	0	120.7
191	N	42.5	Very low	36.1	Very low	172 Å²	172	129.7 Å²	129.7	92%	0.92	82%	0.819	S	S	*	*				-169.4	127.2	109.3	-93.8	-38.7	0	0	0	113.6
192	E	38.7	Very low	35.9	Very low	200 Å²	200	129.4 Å²	129.4	94%	0.935	81%	0.814	S	S	*	*			trans	-74.1	152.8	-179.7	-64.3	174.7	124.2	0	0	114.1
193	G	36	Very low	35.4	Very low	71 Å²	71	129.9 Å²	129.9	73%	0.732	82%	0.816	S	S	*	*			trans	169.1	137.8	159.2	0	0	0	0	0	113.2
194	P	37	Very low	35.3	Very low	133 Å²	133	125 Å²	125	86%	0.864	81%	0.807	S	S	*	*				-97.2	157	-124.8	34.8	-35.5	0	0	0	116.5
195	A	29.7	Very low	34.7	Very low	98 Å²	98	126.6 Å²	126.6	81%	0.81	80%	0.802	S	S	*	*			trans	-60.9	131.9	174.8	0	0	0	0	0	113.6
196	T	39.6	Very low	34.4	Very low	142 Å²	142	128.3 Å²	128.3	87%	0.871	81%	0.805	S	S	*	*			trans	-131.4	124.4	144.9	51	0	0	0	0	109.3
197	S	33.8	Very low	34.1	Very low	121 Å²	121	134.6 Å²	134.6	85%	0.846	81%	0.805	S	S	*	*			trans	-60.6	148.4	-174.2	52	0	0	0	0	115.8
198	G	28.3	Very low	33.7	Very low	69 Å²	69	133.7 Å²	133.7	71%	0.711	80%	0.798	S	S	*	*			trans	117.1	103.3	134.5	0	0	0	0	0	116.4
199	N	30.7	Very low	33.6	Very low	166 Å²	166	137.1 Å²	137.1	89%	0.888	81%	0.805	S	S	*	*			trans	91.4	63.9	160.9	-60.2	-7.2	0	0	0	117.9
200	S	27.4	Very low	32.9	Very low	124 Å²	124	137.1 Å²	137.1	87%	0.867	81%	0.805	S	S	*	*			trans	-74.7	112.9	138.2	51.4	0	0	0	0	109.4
201	C	28.5	Very low	32.4	Very low	121 Å²	121	136.3 Å²	136.3	82%	0.818	81%	0.809	S	S	*	*			trans	-123	136.4	156.1	-127.2	0	0	0	0	107.5
202	P	29.5	Very low	31.8	Very low	112 Å²	112	135.2 Å²	135.2	73%	0.727	80%	0.803	S	S	*	*			trans	-75.7	146.4	-150.9	30.2	-34.3	0	0	0	112.5	A204	P202-A204 PolarHBondContact O-N 2.98Å
203	L	30.1	Very low	31.8	Very low	186 Å²	186	133.7 Å²	133.7	97%	0.974	80%	0.8	S	S	*	*			trans	-57.9	89.5	161.7	-86.9	114.4	0	0	0	108.8
204	A	31.4	Very low	31.6	Very low	81 Å²	81	135.6 Å²	135.6	67%	0.669	80%	0.803	S	S	*	*			trans	-89.4	115.9	164.5	0	0	0	0	0	108.5	P202 Q206	P202-A204 PolarHBondContact O-N 2.98Å; A204-Q206 PolarHBondContact O-N 2.97Å
205	D	29.7	Very low	31.4	Very low	135 Å²	135	133.1 Å²	133.1	72%	0.722	79%	0.794	S	S	*	*			trans	48.9	66.5	149.3	-67.4	-20.9	0	0	0	118.2	R207	D205-R207 PolarHBondContact O-N 2.93Å
206	Q	31.1	Very low	31.5	Very low	190 Å²	190	137.8 Å²	137.8	89%	0.888	80%	0.799	S	S	*	*			trans	-82.2	78.6	146.9	-75	-175	19	0	0	108.7	A204 I208	A204-Q206 PolarHBondContact O-N 2.97Å; Q206-I208 PolarHBondContact O-N 3.39Å; Q206-I208 VanDerWaalsContact O-N 3.13Å
207	R	27.1	Very low	31.1	Very low	209 Å²	209	134.2 Å²	134.2	79%	0.789	79%	0.79	S	S	*	*			trans	-62.1	115.1	161.9	-72.5	-169.9	-168.3	-174.8	3.9	107.8	D205 I209	D205-R207 PolarHBondContact O-N 2.93Å; R207-I209 PolarHBondContact O-N 3.18Å; R207-I209 VanDerWaalsContact O-N 3.12Å
208	I	30.9	Very low	30.9	Very low	144 Å²	144	139.6 Å²	139.6	74%	0.738	79%	0.792	S	S	*	*			trans	-60.2	111.8	165	-62.5	169.5	0	0	0	105.5	Q206 D210	Q206-I208 PolarHBondContact O-N 3.39Å; Q206-I208 VanDerWaalsContact O-N 3.13Å; I208-D210 PolarHBondContact O-N 2.85Å
209	I	33.2	Very low	31	Very low	147 Å²	147	144 Å²	144	75%	0.754	80%	0.798	S	S	*	*			trans	-72.6	93.8	165.2	-59.7	175.2	0	0	0	105.2	R207 S211	R207-I209 PolarHBondContact O-N 3.18Å; R207-I209 VanDerWaalsContact O-N 3.12Å; I209-S211 PolarHBondContact O-N 2.94Å
210	D	30.6	Very low	31	Very low	134 Å²	134	140.1 Å²	140.1	72%	0.717	80%	0.798	S	S	*	*			trans	-54.9	110.2	164.6	-86.6	-37.7	0	0	0	107.9	I208 D212	I208-D210 PolarHBondContact O-N 2.85Å; D210-D212 VanDerWaalsContact C-N 3.27Å; D210-D212 PolarHBondContact O-N 3.37Å
211	S	35.1	Very low	31.2	Very low	107 Å²	107	145.1 Å²	145.1	75%	0.748	80%	0.798	S	S	*	*			trans	-95.8	66.1	168.5	-55.2	0	0	0	0	107.5	I209	I209-S211 PolarHBondContact O-N 2.94Å
212	D	29.1	Very low	31.5	Very low	150 Å²	150	149.3 Å²	149.3	80%	0.802	80%	0.802	S	S	*	*			trans	-92	87.6	163	-107.7	-5.5	0	0	0	107.7	D210	D210-D212 VanDerWaalsContact C-N 3.27Å; D210-D212 PolarHBondContact O-N 3.37Å
213	L	38.7	Very low	31.8	Very low	167 Å²	167	155.1 Å²	155.1	87%	0.874	81%	0.809	S	S	*	*			trans	-140.9	89.9	163.5	-86.3	170.9	0	0	0	109.5
214	S	32.5	Very low	31.8	Very low	111 Å²	111	154.3 Å²	154.3	78%	0.776	80%	0.8	S	S	*	*				55.6	128.1	130	-168.8	0	0	0	0	119.4
215	A	32.1	Very low	31.8	Very low	82 Å²	82	157.5 Å²	157.5	68%	0.678	80%	0.804	S	S	*	*	S	Bend	trans	-40.6	147.7	157.4	0	0	0	0	0	113.3
216	E	32.1	Very low	31.7	Very low	195 Å²	195	155.3 Å²	155.3	91%	0.911	80%	0.8	S	S	*	*			trans	66.4	117.2	162.9	-60.8	-172.4	164.6	0	0	117.5
217	G	30.9	Very low	31.8	Very low	68 Å²	68	150.6 Å²	150.6	70%	0.701	78%	0.784	S	S	*	*			trans	116.8	101.1	150.2	0	0	0	0	0	115.9
218	R	30	Very low	31.8	Very low	234 Å²	234	149.5 Å²	149.5	88%	0.883	79%	0.787	S	S	*	*			trans	57.8	121.9	134.3	-67.4	179	172.2	173.9	-2.2	118.8
219	L	30.3	Very low	32	Very low	160 Å²	160	149.2 Å²	149.2	84%	0.838	79%	0.788	S	S	*	*			trans	74.9	73.7	147.8	-63.2	154.5	0	0	0	116.2	R221	L219-R221 VanDerWaalsContact C-N 3.33Å; L219-R221 PolarHBondContact O-N 2.88Å
220	G	30.2	Very low	31.8	Very low	85 Å²	85	152.5 Å²	152.5	88%	0.876	80%	0.8	S	S	*	*			trans	-68.9	87.8	161	0	0	0	0	0	111.3	K222	G220-K222 PolarHBondContact O-N 3.23Å
221	R	32.6	Very low	32	Very low	230 Å²	230	148 Å²	148	87%	0.868	79%	0.785	S	S	*	*			trans	-52.6	123.4	164.5	-77.2	-179.5	176.3	-175.4	-1.6	109.3	L219 R223	L219-R221 VanDerWaalsContact C-N 3.33Å; L219-R221 PolarHBondContact O-N 2.88Å; R221-R223 PolarHBondContact O-N 3.04Å; R221-R223 VanDerWaalsContact O-N 3.07Å
222	K	35	Very low	32	Very low	208 Å²	208	150.4 Å²	150.4	90%	0.904	78%	0.784	S	S	*	*			trans	-46	112.4	164.7	-76.2	177.6	173.6	179.6	0	108.8	G220 H224	G220-K222 PolarHBondContact O-N 3.23Å; K222-H224 PolarHBondContact O-N 3.28Å
223	R	34.8	Very low	32.3	Very low	234 Å²	234	145.3 Å²	145.3	88%	0.883	76%	0.76	S	S	*	*			trans	-83.9	103.5	168	-67.4	-173.1	-166.4	174.2	4.4	107.3	R221 I225	R221-R223 PolarHBondContact O-N 3.04Å; R221-R223 VanDerWaalsContact O-N 3.07Å; R223-I225 PolarHBondContact O-N 3.42Å
224	H	29.5	Very low	32.3	Very low	169 Å²	169	140.8 Å²	140.8	78%	0.782	74%	0.736	S	S	*	*			trans	-65.3	114	168.3	-161.3	-105.3	0	0	0	107.6	K222 S226	K222-H224 PolarHBondContact O-N 3.28Å; H224-S226 PolarHBondContact O-N 3Å
225	I	32.8	Very low	32.6	Very low	148 Å²	148	136.9 Å²	136.9	76%	0.759	71%	0.71	S	S	*	*			trans	-84.5	95.6	165.4	-60.4	173.9	0	0	0	105	R223 V227	R223-I225 PolarHBondContact O-N 3.42Å; I225-V227 HydrophobicContact CG2-CG2 4.02Å; I225-V227 PolarHBondContact O-N 3.15Å; I225-V227 VanDerWaalsContact O-N 3.13Å
226	S	27.3	Very low	32.9	Very low	89 Å²	89	141.7 Å²	141.7	62%	0.622	72%	0.719	S	S	*	*			trans	-70.3	99.4	167	42.4	0	0	0	0	108	H224 E228	H224-S226 PolarHBondContact O-N 3Å; S226-E228 PolarHBondContact O-N 3.04Å
227	V	32.4	Very low	32.9	Very low	91 Å²	91	139.9 Å²	139.9	55%	0.552	71%	0.71	S	S	*	*			trans	-80	107.5	163.6	179.7	0	0	0	0	106.1	I225 N229	I225-V227 HydrophobicContact CG2-CG2 4.02Å; I225-V227 PolarHBondContact O-N 3.15Å; I225-V227 VanDerWaalsContact O-N 3.13Å; V227-N229 PolarHBondContact O-N 2.96Å
228	E	27.8	Very low	33	Very low	186 Å²	186	143.5 Å²	143.5	87%	0.869	70%	0.703	S	S	*	*	S	Bend	trans	-67	86.4	169	-71	178.6	166.9	0	0	108.8	S226	S226-E228 PolarHBondContact O-N 3.04Å
229	N	34.3	Very low	32.9	Very low	139 Å²	139	137 Å²	137	74%	0.743	69%	0.691	S	S	*	*	S	Bend	trans	-165	115.9	152.2	-105.6	-16.9	0	0	0	106.3	V227 G231	V227-N229 PolarHBondContact O-N 2.96Å; N229-G231 PolarHBondContact O-N 2.91Å
230	E	29	Very low	32.9	Very low	215 Å²	215	136.8 Å²	136.8	100%	1.005	69%	0.689	S	S	*	*			trans	-56.5	94.8	179.4	-64.4	-175.9	160.8	0	0	110.3
231	G	34.8	Very low	32.9	Very low	39 Å²	39	138 Å²	138	40%	0.402	68%	0.679	S	S	.	*			trans	-153	79.1	175.7	0	0	0	0	0	106.8	N229 C233	N229-G231 PolarHBondContact O-N 2.91Å; G231-C233 PolarHBondContact O-N 2.88Å
232	E	35.2	Very low	32.7	Very low	159 Å²	159	134.3 Å²	134.3	74%	0.743	67%	0.672	S	S	*	*			trans	-57.2	104.4	179	-71.3	-173.6	152.4	0	0	110	L234	E232-L234 PolarHBondContact O-N 3.19Å
233	C	35.1	Very low	32.7	Very low	43 Å²	43	133.6 Å²	133.6	29%	0.291	67%	0.669	S	S	.	*			trans	-80.6	104.8	165.9	-169.3	0	0	0	0	107.7	C95 G231 A235	C95-C233 PolarHBondContact SG-SG 3.26Å; G231-C233 PolarHBondContact O-N 2.88Å; C233-A235 PolarHBondContact O-N 3.27Å
234	L	39.4	Very low	32.4	Very low	72 Å²	72	127.9 Å²	127.9	38%	0.377	66%	0.656	S	S	.	*	G	3₁₀ helix	trans	-72.8	33.6	176.9	-65.1	171.8	0	0	0	113.4	W88 E232 H236	W88-L234 HydrophobicContact CZ2-CB 4.36Å; E232-L234 PolarHBondContact O-N 3.19Å; L234-H236 VanDerWaalsContact C-N 3.26Å; L234-H236 PolarHBondContact O-N 3.37Å
235	A	39.6	Very low	32.5	Very low	28 Å²	28	129.9 Å²	129.9	23%	0.231	66%	0.658	C	S	.	*	G	3₁₀ helix	trans	-75.7	-14.5	176.2	0	0	0	0	0	112.9	P84 C233	P84-A235 HydrophobicContact CG-CB 4.24Å; C233-A235 PolarHBondContact O-N 3.27Å
236	H	37.1	Very low	32.4	Very low	184 Å²	184	129.8 Å²	129.8	85%	0.852	66%	0.657	S	S	*	*	G	3₁₀ helix	trans	-91	5	-173.2	-75.2	-55.4	0	0	0	116.1	L234	L234-H236 VanDerWaalsContact C-N 3.26Å; L234-H236 PolarHBondContact O-N 3.37Å
237	Q	33.2	Very low	32.6	Very low	156 Å²	156	138.9 Å²	138.9	73%	0.729	69%	0.686	S	S	*	*	G	3₁₀ helix	trans	-94.6	9.6	-179.9	-79	-175.2	-4.1	0	0	115.3
238	W	32.2	Very low	32.6	Very low	144 Å²	144	141.3 Å²	141.3	55%	0.545	69%	0.693	S	S	.	*			trans	-87.1	125.8	175.4	-71.3	86	0	0	0	111.6	L129 I240	L129-W238 HydrophobicContact CB-CH2 4.08Å; L129-W238 HydrophobicContact CB-CZ2 3.78Å; L129-W238 HydrophobicContact CD1-CZ2 3.75Å; L129-W238 HydrophobicContact CG-CZ2 4.44Å; W238-I240 PolarHBondContact O-N 2.93Å
239	P	29	Very low	32.9	Very low	98 Å²	98	138.9 Å²	138.9	64%	0.636	68%	0.683	S	S	*	*			trans	-60.1	131.5	164.2	24.7	-29.9	0	0	0	108.1	V241	P239-V241 VanDerWaalsContact C-N 3.27Å; P239-V241 PolarHBondContact O-N 3.21Å
240	I	29.8	Very low	32.8	Very low	156 Å²	156	138.9 Å²	138.9	80%	0.8	68%	0.68	S	S	*	*			trans	-58.4	98.6	167.1	-61.5	169.7	0	0	0	105.7	W238 E242	W238-I240 PolarHBondContact O-N 2.93Å; I240-E242 HydrophobicContact CG2-CG 4.37Å; I240-E242 PolarHBondContact O-N 2.8Å
241	V	29.5	Very low	33	Very low	109 Å²	109	134.4 Å²	134.4	66%	0.661	66%	0.661	S	S	*	*			trans	-73.1	91.9	168.1	-174.7	0	0	0	0	105.2	P239 K243	P239-V241 VanDerWaalsContact C-N 3.27Å; P239-V241 PolarHBondContact O-N 3.21Å; V241-K243 HydrophobicContact CG1-CG 4.18Å; V241-K243 PolarHBondContact O-N 3.31Å
242	E	28.4	Very low	32.9	Very low	154 Å²	154	140.4 Å²	140.4	72%	0.72	68%	0.677	S	S	*	*			trans	-55.4	93.7	159.3	-77.7	-174	164	0	0	107.6	I240 N244	I240-E242 HydrophobicContact CG2-CG 4.37Å; I240-E242 PolarHBondContact O-N 2.8Å; E242-N244 PolarHBondContact O-N 3.03Å
243	K	34.8	Very low	32.7	Very low	193 Å²	193	139.1 Å²	139.1	84%	0.839	67%	0.673	S	S	*	*			trans	-74.7	83.1	159.1	-77.4	-170.1	176.4	-177.8	0	107.9	V241	V241-K243 HydrophobicContact CG1-CG 4.18Å; V241-K243 PolarHBondContact O-N 3.31Å
244	N	28.3	Very low	32.6	Very low	114 Å²	114	146 Å²	146	61%	0.61	70%	0.7	S	S	*	*			trans	-58.3	166.2	136.4	-72.8	-48.3	0	0	0	108.6	E242	E242-N244 PolarHBondContact O-N 3.03Å
245	Y	32.5	Very low	32	Very low	211 Å²	211	151.7 Å²	151.7	83%	0.827	73%	0.725	S	S	*	*			trans	96.8	89.9	-174.9	-56	-74.4	0	0	0	113.4
246	I	31.6	Very low	31.4	Very low	146 Å²	146	162 Å²	162	75%	0.749	77%	0.766	S	S	*	*				112.1	134.6	54.6	-82.1	167.8	0	0	0	107.5
247	F	30.6	Very low	30.9	Very low	279 Å²	279	160 Å²	160	100%	1.224	76%	0.758	S	S	*	*			trans	-52.3	0	174.5	-76.3	-91.7	0	0	0	113.6

Retrieved 247 of 247 residues in 104.5 ms (Link to these results)

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