A0A096NH84_PAPAN Loading...

THUMP domain-containing protein 1

Functions as a tRNA-binding adapter to mediate NAT10-dependent tRNA acetylation modifying cytidine to N4-acetylcytidine (ac4C).

AlphaFold DB , UniProt , Accession A0A096NH84, Species PAPAN (Papio anubis, Olive baboon), Gene THUMPD1, Length 353 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	39.4	Very low	243 Å²	243	141.2 Å²	141.2	100%	1.197	87%	0.865	S	S	*	*				0	123.9	0	-53.5	-68	-165.2	0	0	107.2
2	A	37.5	Very low	38.8	Very low	98 Å²	98	136.2 Å²	136.2	81%	0.81	86%	0.863	S	S	*	*			cis	-157.4	164.6	-14.6	0	0	0	0	0	108.1
3	A	41.7	Very low	38.2	Very low	94 Å²	94	131.6 Å²	131.6	78%	0.777	86%	0.857	S	S	*	*			trans	-79.6	173.1	170.1	0	0	0	0	0	110.5
4	P	50.5	Low	38.7	Very low	121 Å²	121	128.3 Å²	128.3	79%	0.786	86%	0.859	S	S	*	*				-145.1	153.2	55.5	37.1	-14.3	0	0	0	116.1
5	A	37.9	Very low	38.9	Very low	103 Å²	103	133.6 Å²	133.6	85%	0.851	86%	0.862	S	S	*	*				77.7	135.7	91.9	0	0	0	0	0	118.5
6	Q	40.8	Very low	39.4	Very low	194 Å²	194	140.8 Å²	140.8	91%	0.907	87%	0.866	S	S	*	*			trans	-99.3	152.8	175.7	-65	172.1	-22.3	0	0	111.8
7	S	34.1	Very low	40	Very low	124 Å²	124	145.3 Å²	145.3	87%	0.867	87%	0.871	S	S	*	*			trans	-161.2	152.7	142.7	55.1	0	0	0	0	111.2
8	T	33.2	Very low	40.1	Very low	143 Å²	143	141.1 Å²	141.1	88%	0.877	86%	0.863	S	S	*	*			trans	-112.5	171.4	-169.3	42	0	0	0	0	113.9
9	T	34.2	Very low	40.4	Very low	142 Å²	142	144.6 Å²	144.6	87%	0.871	87%	0.865	S	S	*	*			trans	-77.2	151.7	-157.7	-5.7	0	0	0	0	117.1
10	Q	34	Very low	40.6	Very low	174 Å²	174	141.4 Å²	141.4	81%	0.813	86%	0.855	S	S	*	*			trans	-84.4	-173.5	161	-90.6	-157.6	19.3	0	0	111.6
11	P	51.3	Low	41.1	Very low	117 Å²	117	143.2 Å²	143.2	76%	0.76	85%	0.854	S	S	*	*			cis	-134.8	-175.2	-43.6	36.8	-20.2	0	0	0	112.5
12	G	31.5	Very low	41.3	Very low	81 Å²	81	142.7 Å²	142.7	84%	0.835	84%	0.84	S	S	*	*			trans	148.7	133.7	150.2	0	0	0	0	0	117.1
13	G	30.9	Very low	41.7	Very low	77 Å²	77	143 Å²	143	79%	0.794	83%	0.832	S	S	*	*			trans	138.3	73.6	166.3	0	0	0	0	0	116
14	G	45.3	Very low	42	Very low	85 Å²	85	146 Å²	146	88%	0.876	83%	0.834	S	S	*	*			trans	-68.8	137.4	173.3	0	0	0	0	0	112.8
15	K	41.4	Very low	41.8	Very low	208 Å²	208	144.3 Å²	144.3	90%	0.904	83%	0.831	S	S	*	*			trans	-127.7	139.7	170.3	-78.1	-173.6	177.3	177.4	0	112.2
16	R	48.2	Very low	42.1	Very low	248 Å²	248	148.8 Å²	148.8	94%	0.936	83%	0.831	S	S	*	*			trans	-66.7	144.8	-172.8	-69.4	166	160.9	157.7	-8.6	112.3
17	K	49.5	Very low	42.2	Very low	218 Å²	218	150.3 Å²	150.3	95%	0.948	83%	0.828	S	S	*	*			trans	-66.7	135.5	163	-73.1	-178.8	175.1	178.6	0	109.6
18	G	41	Very low	42.7	Very low	70 Å²	70	148.6 Å²	148.6	72%	0.722	82%	0.821	S	S	*	*			trans	-162.8	82.1	-176.7	0	0	0	0	0	115.4
19	K	46.1	Very low	43.3	Very low	208 Å²	208	153 Å²	153	90%	0.904	82%	0.822	S	S	*	*			trans	54	132.7	149.8	-63.8	-178.5	176.2	-178.8	0	121.6
20	A	43.7	Very low	43.7	Very low	80 Å²	80	157 Å²	157	66%	0.661	82%	0.821	S	S	*	*			trans	60.9	76.8	143.6	0	0	0	0	0	118.8	Y22	A20-Y22 VanDerWaalsContact C-N 3.33Å; A20-Y22 PolarHBondContact O-N 2.63Å
21	Q	51	Low	43.7	Very low	179 Å²	179	154.7 Å²	154.7	84%	0.836	82%	0.823	S	S	*	*				24.3	65.3	110.3	-160.9	168.1	2.6	0	0	116.6	V23	Q21-V23 HydrophobicContact CG-CG2 4.17Å; Q21-V23 PolarHBondContact O-N 2.64Å
22	Y	42.3	Very low	43.3	Very low	232 Å²	232	155.1 Å²	155.1	91%	0.91	82%	0.819	S	S	*	*			trans	-70.4	85.1	160.1	-111.3	-96.6	0	0	0	108.1	A20 L24	A20-Y22 VanDerWaalsContact C-N 3.33Å; A20-Y22 PolarHBondContact O-N 2.63Å; Y22-L24 PolarHBondContact O-N 2.78Å
23	V	47.9	Very low	43.9	Very low	105 Å²	105	155.4 Å²	155.4	64%	0.636	81%	0.813	S	S	*	*			trans	-57.5	112.2	155.1	176.4	0	0	0	0	104.8	Q21 A25	Q21-V23 HydrophobicContact CG-CG2 4.17Å; Q21-V23 PolarHBondContact O-N 2.64Å; V23-A25 VanDerWaalsContact C-N 3.3Å; V23-A25 PolarHBondContact O-N 2.85Å
24	L	46.1	Very low	44.6	Very low	157 Å²	157	154.6 Å²	154.6	82%	0.822	81%	0.805	S	S	*	*			trans	-47.9	105.6	161.1	-106.9	162.5	0	0	0	105.7	Y22 K26	Y22-L24 PolarHBondContact O-N 2.78Å; L24-K26 PolarHBondContact O-N 2.96Å
25	A	46.9	Very low	44.8	Very low	86 Å²	86	152.1 Å²	152.1	71%	0.711	78%	0.78	S	S	*	*			trans	-61	97.8	178.3	0	0	0	0	0	105.5	V23 R27	V23-A25 VanDerWaalsContact C-N 3.3Å; V23-A25 PolarHBondContact O-N 2.85Å; A25-R27 PolarHBondContact O-N 2.91Å
26	K	45.3	Very low	45.6	Very low	197 Å²	197	146.1 Å²	146.1	86%	0.857	76%	0.761	S	S	*	*			trans	-49	102.5	166.2	-92.7	180	173.9	173.3	0	103.6	L24 A28	L24-K26 PolarHBondContact O-N 2.96Å; K26-A28 VanDerWaalsContact C-N 3.29Å; K26-A28 VanDerWaalsContact O-CA 3.25Å; K26-A28 WeakPolarHBondContact O-CA 3.38Å; K26-A28 PolarHBondContact O-N 2.96Å
27	R	43.1	Very low	46.9	Very low	226 Å²	226	139.5 Å²	139.5	85%	0.853	74%	0.737	S	S	*	*			trans	-37.7	99.7	-174.5	-165.8	-178	-157.9	176.2	5.9	105.7	A25 R29	A25-R27 PolarHBondContact O-N 2.91Å; R27-R29 PolarHBondContact O-N 3.3Å
28	A	42.9	Very low	48.7	Very low	87 Å²	87	133.6 Å²	133.6	72%	0.719	71%	0.712	S	S	*	*			trans	-54.5	119.8	-165.1	0	0	0	0	0	104.1	K26 R30	K26-A28 VanDerWaalsContact C-N 3.29Å; K26-A28 VanDerWaalsContact O-CA 3.25Å; K26-A28 WeakPolarHBondContact O-CA 3.38Å; K26-A28 PolarHBondContact O-N 2.96Å; A28-R30 VanDerWaalsContact C-N 3.35Å; A28-R30 PolarHBondContact O-N 2.77Å
29	R	46.3	Very low	51	Low	236 Å²	236	130.7 Å²	130.7	89%	0.891	68%	0.68	S	S	*	*			trans	-51.9	111.1	-171.6	-71.8	-174	-174.7	-175.4	2.5	104	R27 C31	R27-R29 PolarHBondContact O-N 3.3Å; R29-C31 PolarHBondContact O-N 2.71Å
30	R	42.6	Very low	53.2	Low	225 Å²	225	126.7 Å²	126.7	85%	0.849	67%	0.665	S	S	*	*			trans	-51.1	117.3	171.7	-72	-178.2	-178.8	174.4	-2.1	102.5	A28 D32	A28-R30 VanDerWaalsContact C-N 3.35Å; A28-R30 PolarHBondContact O-N 2.77Å; R30-D32 VanDerWaalsContact C-N 3.27Å; R30-D32 PolarHBondContact O-N 3.07Å
31	C	34.3	Very low	55.4	Low	126 Å²	126	125.8 Å²	125.8	85%	0.851	65%	0.652	S	S	*	*			trans	-59.4	103.2	-176	-69.2	0	0	0	0	105.1	R29 A33	R29-C31 PolarHBondContact O-N 2.71Å; C31-A33 PolarHBondContact O-N 3.09Å
32	D	43.5	Very low	57.3	Low	126 Å²	126	120.6 Å²	120.6	67%	0.674	65%	0.647	S	S	*	*			trans	-80.7	72.8	-167.5	-168.6	11.1	0	0	0	108.3	R30 G34 G35	R30-D32 VanDerWaalsContact C-N 3.27Å; R30-D32 PolarHBondContact O-N 3.07Å; D32-G34 PolarHBondContact O-N 3.29Å; D32-G34 VanDerWaalsContact O-N 3.11Å; D32-G34 WeakPolarHBondContact OD1-CA 3.43Å; D32-G34 PolarHBondContact OD1-N 2.98Å; D32-G35 PolarHBondContact O-N 3.35Å; D32-G35 VanDerWaalsContact O-N 3.14Å; D32-G35 PolarHBondContact OD1-N 3.15Å
33	A	43.8	Very low	59.7	Low	88 Å²	88	110.7 Å²	110.7	73%	0.727	61%	0.609	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68	9.4	163.6	0	0	0	0	0	111.6	C31	C31-A33 PolarHBondContact O-N 3.09Å
34	G	44.5	Very low	61.8	Low	59 Å²	59	109.5 Å²	109.5	61%	0.608	60%	0.597	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.6	7.2	167.6	0	0	0	0	0	113.9	D32	D32-G34 PolarHBondContact O-N 3.29Å; D32-G34 VanDerWaalsContact O-N 3.11Å; D32-G34 WeakPolarHBondContact OD1-CA 3.43Å; D32-G34 PolarHBondContact OD1-N 2.98Å
35	G	50.2	Low	64.2	Low	34 Å²	34	102 Å²	102	35%	0.351	56%	0.558	S	S	.	*	S	Bend	trans	-51.7	142.1	160.2	0	0	0	0	0	110.2	D32 R37	D32-G35 PolarHBondContact O-N 3.35Å; D32-G35 VanDerWaalsContact O-N 3.14Å; D32-G35 PolarHBondContact OD1-N 3.15Å; G35-R37 PolarHBondContact O-N 2.94Å
36	P	58.4	Low	66.5	Low	81 Å²	81	97.9 Å²	97.9	53%	0.526	52%	0.524	S	S	.	.	P	Polyproline II helix	trans	-59.3	129.5	-175.3	24.8	-33.9	0	0	0	109.7	Q38 E121	P36-Q38 PolarHBondContact O-N 3.32Å; P36-E121 HydrophobicContact CB-CG 3.91Å; P36-E121 WeakPolarHBondContact CB-OE1 3.36Å; P36-E121 VanDerWaalsContact CG-CD 3.49Å; P36-E121 VanDerWaalsContact CG-OE1 3.32Å; P36-E121 WeakPolarHBondContact CG-OE1 3.09Å; P36-E121 WeakPolarHBondContact CG-OE2 3.47Å
37	R	75.6	Confident	68.9	Low	110 Å²	110	88.6 Å²	88.6	42%	0.415	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-61.7	118.3	-178.5	-62.2	-169.8	-159.5	160.9	19.8	108.1	G35 R113 V120 E121	G35-R37 PolarHBondContact O-N 2.94Å; R37-R113 VanDerWaalsContact NH2-CG 3.3Å; R37-V120 HydrophobicContact CB-CG2 4.38Å; R37-V120 CarbonylContact O-C 3.48Å; R37-V120 WeakPolarHBondContact O-CA 3.44Å; R37-V120 VanDerWaalsContact O-CG1 3.24Å; R37-V120 WeakPolarHBondContact O-CG1 3.4Å; R37-E121 PolarHBondContact O-N 3.05Å
38	Q	86.5	Confident	71.4	Confident	93 Å²	93	77.8 Å²	77.8	44%	0.435	44%	0.443	S	S	.	.	B	Isolated β-bridge	trans	-84.8	155.7	179.6	-169.2	149.4	114.3	0	0	109.9	P36 E40 V120	P36-Q38 PolarHBondContact O-N 3.32Å; Q38-E40 PolarHBondContact O-N 3.04Å; Q38-V120 VanDerWaalsContact C-CG1 3.42Å; Q38-V120 WeakPolarHBondContact O-CG1 3.41Å
39	L	90.4	Very high	73.9	Confident	10 Å²	10	74.2 Å²	74.2	5%	0.052	41%	0.412	C	S	.	.	P	Polyproline II helix	trans	-61.5	116.6	172.4	179.8	65.1	0	0	0	110.3	L43 V120 E121 F129 T168 I244 V247	L39-L43 HydrophobicContact CD1-CD1 4.45Å; L39-V120 HydrophobicContact CB-CG1 4.33Å; L39-E121 PolarHBondContact N-O 2.98Å; L39-F129 HydrophobicContact CD1-CB 4.37Å; L39-F129 HydrophobicContact CD1-CD1 3.88Å; L39-F129 HydrophobicContact CD1-CD2 4.03Å; L39-F129 HydrophobicContact CD1-CE1 4.1Å; L39-F129 HydrophobicContact CD1-CE2 4.23Å; L39-F129 HydrophobicContact CD1-CG 3.83Å; L39-F129 HydrophobicContact CD1-CZ 4.26Å; L39-T168 HydrophobicContact CD1-CG2 4.16Å; L39-I244 HydrophobicContact CD2-CB 4.12Å; L39-I244 HydrophobicContact CD2-CD1 4.34Å; L39-I244 HydrophobicContact CD2-CG2 4.48Å; L39-V247 HydrophobicContact CD2-CB 4.24Å; L39-V247 HydrophobicContact CD2-CG1 4.25Å; L39-V247 HydrophobicContact CG-CB 4.22Å; L39-V247 HydrophobicContact CG-CG1 4.04Å; L39-V247 HydrophobicContact CG-CG2 4.4Å; L39-V247 WeakPolarHBondContact O-CG2 3.41Å
40	E	90.9	Very high	76	Confident	124 Å²	124	63.2 Å²	63.2	58%	0.579	37%	0.371	S	S	*	.			trans	-117.5	159.9	179.5	-72.9	178.3	169.2	0	0	111.2	Q38 L43 T168	Q38-E40 PolarHBondContact O-N 3.04Å; E40-L43 HydrophobicContact CB-CD1 4.3Å; E40-L43 WeakPolarHBondContact O-CG 3.45Å; E40-T168 PolarHBondContact O-OG1 3.43Å
41	P	91.4	Very high	78	Confident	60 Å²	60	57.7 Å²	57.7	39%	0.39	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	150.5	167.5	-20.7	33.9	0	0	0	112.3	T168 K170 V247	P41-T168 WeakPolarHBondContact CA-OG1 3.26Å; P41-K170 HydrophobicContact CB-CG 4.33Å; P41-K170 HydrophobicContact CG-CG 3.66Å; P41-V247 HydrophobicContact CG-CG2 4.42Å
42	G	90.9	Very high	80.3	Confident	71 Å²	71	59.4 Å²	59.4	73%	0.732	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.9	12.4	-179.9	0	0	0	0	0	114.9	T168	G42-T168 PolarHBondContact N-O 3.34Å; G42-T168 PolarHBondContact N-OG1 3.41Å
43	L	91.4	Very high	82.3	Confident	23 Å²	23	56.6 Å²	56.6	12%	0.12	34%	0.341	C	S	.	.			trans	-96.6	144.3	173.4	-60	-178.2	0	0	0	110.8	L39 E40 V120 F129 R131 G167 T168	L39-L43 HydrophobicContact CD1-CD1 4.45Å; E40-L43 HydrophobicContact CB-CD1 4.3Å; E40-L43 WeakPolarHBondContact O-CG 3.45Å; L43-V120 HydrophobicContact CD1-CG1 4.44Å; L43-F129 HydrophobicContact CB-CE1 3.98Å; L43-F129 HydrophobicContact CB-CZ 4.27Å; L43-F129 HydrophobicContact CD1-CE1 4.34Å; L43-R131 HydrophobicContact CD2-CG 4.4Å; L43-G167 CarbonylContact O-C 3.44Å; L43-G167 WeakPolarHBondContact O-CA 3.38Å; L43-T168 PolarHBondContact N-OG1 3.27Å; L43-T168 WeakPolarHBondContact O-CG2 3.49Å; L43-T168 PolarHBondContact O-N 2.96Å; L43-T168 PolarHBondContact O-OG1 3.17Å
44	Q	93.5	Very high	84.4	Confident	80 Å²	80	56.3 Å²	56.3	37%	0.374	32%	0.324	S	S	.	.			trans	-116.7	152.8	167	62.6	-178.2	-21.6	0	0	108.8	R131 T132 S166	Q44-R131 VanDerWaalsContact O-CA 3.32Å; Q44-R131 WeakPolarHBondContact O-CA 3.49Å; Q44-T132 PolarHBondContact O-N 3.17Å; Q44-S166 WeakPolarHBondContact CB-O 3.2Å
45	G	94.9	Very high	86.6	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	167	-154.2	-175.5	0	0	0	0	0	114.8	I130 P137 I165	G45-I130 CarbonylContact C-O 3.57Å; G45-I130 WeakPolarHBondContact CA-O 3.09Å; G45-P137 WeakPolarHBondContact O-CB 3.34Å; G45-P137 WeakPolarHBondContact O-CG 3.23Å; G45-I165 PolarHBondContact N-O 3.41Å; G45-I165 PolarHBondContact O-N 2.63Å; G45-I165 VanDerWaalsContact O-O 3.08Å
46	I	96.3	Very high	88.6	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	125.8	-177.9	-56.7	171	0	0	0	108.2	I48 L65 I130 T132 P137 L140 V141 M162 L163	I46-I48 HydrophobicContact CG2-CD1 4.33Å; I46-I48 HydrophobicContact CG2-CG1 3.9Å; I46-L65 HydrophobicContact CD1-CD1 4.16Å; I46-L65 HydrophobicContact CD1-CD2 3.4Å; I46-L65 VanDerWaalsContact CD1-CD2 3.4Å; I46-L65 HydrophobicContact CD1-CG 4.45Å; I46-I130 PolarHBondContact N-O 3.45Å; I46-I130 PolarHBondContact O-N 3.15Å; I46-T132 HydrophobicContact CD1-CG2 4.44Å; I46-T132 HydrophobicContact CG1-CG2 4.42Å; I46-P137 HydrophobicContact CG1-CB 3.85Å; I46-L140 HydrophobicContact CD1-CD2 4.24Å; I46-V141 HydrophobicContact CB-CG2 4.47Å; I46-V141 HydrophobicContact CD1-CG2 3.61Å; I46-V141 HydrophobicContact CG1-CG2 3.79Å; I46-V141 HydrophobicContact CG2-CG2 3.84Å; I46-M162 HydrophobicContact CG2-CB 4.06Å; I46-M162 HydrophobicContact CG2-CE 3.95Å; I46-L163 CarbonylContact C-O 3.59Å; I46-L163 WeakPolarHBondContact CA-O 3.43Å
47	L	96.1	Very high	90.2	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	115.6	178.9	-172.4	68.2	0	0	0	109.4	V127 F129 L163 I165 E242 I244	L47-V127 HydrophobicContact CD1-CG1 3.45Å; L47-V127 VanDerWaalsContact CD1-CG1 3.45Å; L47-V127 HydrophobicContact CG-CG1 4Å; L47-F129 HydrophobicContact CB-CD2 4.29Å; L47-F129 HydrophobicContact CD1-CB 4.34Å; L47-F129 HydrophobicContact CD1-CD2 3.95Å; L47-L163 HydrophobicContact CB-CB 4.44Å; L47-L163 PolarHBondContact N-O 3.29Å; L47-L163 PolarHBondContact O-N 2.72Å; L47-I165 HydrophobicContact CB-CD1 4.16Å; L47-I165 HydrophobicContact CB-CG1 3.64Å; L47-I165 HydrophobicContact CD2-CD1 4.21Å; L47-I165 HydrophobicContact CD2-CG1 4.39Å; L47-E242 HydrophobicContact CD2-CB 4.02Å; L47-E242 VanDerWaalsContact CD2-CD 3.47Å; L47-E242 HydrophobicContact CD2-CG 3.67Å; L47-E242 WeakPolarHBondContact CD2-OE1 3.42Å; L47-I244 HydrophobicContact CD1-CD1 3.74Å; L47-I244 HydrophobicContact CD2-CD1 4.08Å
48	I	95.7	Very high	91	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.9	-170.5	-51.5	-172.5	0	0	0	109.3	I46 A61 V127 V128 I130 I159 R161 M162	I46-I48 HydrophobicContact CG2-CD1 4.33Å; I46-I48 HydrophobicContact CG2-CG1 3.9Å; I48-A61 HydrophobicContact CD1-CB 3.5Å; I48-A61 VanDerWaalsContact CD1-CB 3.5Å; I48-V127 CarbonylContact O-C 3.43Å; I48-V127 WeakPolarHBondContact O-CA 3.12Å; I48-V128 PolarHBondContact N-O 3.48Å; I48-V128 PolarHBondContact O-N 2.66Å; I48-I130 HydrophobicContact CD1-CD1 3.7Å; I48-I130 HydrophobicContact CD1-CG1 4.24Å; I48-I159 HydrophobicContact CG2-CB 4.37Å; I48-I159 HydrophobicContact CG2-CD1 4.36Å; I48-I159 HydrophobicContact CG2-CG1 3.97Å; I48-I159 HydrophobicContact CG2-CG2 3.72Å; I48-R161 WeakPolarHBondContact CA-O 3.23Å; I48-M162 HydrophobicContact CD1-CE 4.09Å; I48-M162 HydrophobicContact CD1-CG 4.26Å; I48-M162 HydrophobicContact CG1-CG 4.07Å; I48-M162 HydrophobicContact CG2-CG 4.15Å
49	T	94.2	Very high	91.3	Very high	11 Å²	11	61.1 Å²	61.1	7%	0.067	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.1	171.4	71.3	0	0	0	0	110.2	N126 V127 L160 R161	T49-N126 WeakPolarHBondContact CA-O 3.39Å; T49-V127 HydrophobicContact CG2-CG2 4.28Å; T49-L160 WeakPolarHBondContact O-CA 3.02Å; T49-L160 WeakPolarHBondContact O-CB 3.49Å; T49-L160 PolarHBondContact O-N 3.31Å; T49-R161 PolarHBondContact N-O 3.31Å; T49-R161 PolarHBondContact O-N 2.86Å; T49-R161 WeakPolarHBondContact OG1-CB 3.48Å
50	C	91.8	Very high	91.4	Very high	6 Å²	6	62.9 Å²	62.9	4%	0.041	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	-179.4	-175.4	64.3	0	0	0	0	113	C57 N126 V158 L160	C50-C57 HydrophobicContact CB-CB 3.6Å; C50-C57 VanDerWaalsContact CB-SG 3.5Å; C50-N126 PolarHBondContact N-O 3.34Å; C50-N126 WeakPolarHBondContact O-CB 3.25Å; C50-N126 PolarHBondContact SG-O 3.43Å; C50-V158 WeakPolarHBondContact CA-O 3.46Å; C50-V158 HydrophobicContact CB-CG1 4.01Å; C50-L160 WeakPolarHBondContact O-CD1 3.32Å
51	N	84.4	Confident	91.6	Very high	109 Å²	109	57 Å²	57	58%	0.583	29%	0.291	S	S	*	.	S	Bend	trans	-111.7	101.5	174.5	-172.6	16.2	0	0	0	111.5	N53 V158 L160	N51-N53 PolarHBondContact O-N 2.98Å; N51-V158 PolarHBondContact N-O 3.47Å; N51-L160 HydrophobicContact CB-CD1 4.38Å
52	M	81.3	Confident	91.7	Very high	162 Å²	162	57.6 Å²	57.6	80%	0.798	29%	0.286	S	S	*	.	S	Bend	trans	56.9	-20.1	173.4	-61.2	-159.1	78.5	0	0	118.9	N126	M52-N126 WeakPolarHBondContact CA-OD1 3.49Å; M52-N126 PolarHBondContact N-OD1 2.79Å
53	N	85.8	Confident	91.8	Very high	66 Å²	66	58.2 Å²	58.2	35%	0.353	28%	0.279	S	S	.	.			trans	-116.7	76.5	-172.4	-156.5	-33.2	0	0	0	111.9	N51 R55 K56 C57	N51-N53 PolarHBondContact O-N 2.98Å; N53-R55 VanDerWaalsContact C-N 3.32Å; N53-R55 PolarHBondContact O-N 3.08Å; N53-K56 HydrophobicContact CB-CB 4.42Å; N53-K56 PolarHBondContact O-N 2.95Å; N53-K56 PolarHBondContact OD1-N 3.11Å; N53-C57 PolarHBondContact O-N 3.19Å
54	E	88.7	Confident	91.9	Very high	82 Å²	82	57.4 Å²	57.4	38%	0.383	28%	0.275	S	S	.	.	H	α-helix	trans	-59.7	-37.8	-176.3	-66	176	173	0	0	113	C57 V58 N126 V128	E54-C57 VanDerWaalsContact O-CB 3.28Å; E54-C57 WeakPolarHBondContact O-CB 3.45Å; E54-C57 PolarHBondContact O-N 3.49Å; E54-C57 VanDerWaalsContact O-N 3.16Å; E54-V58 WeakPolarHBondContact O-CG2 3.46Å; E54-V58 PolarHBondContact O-N 2.95Å; E54-N126 WeakPolarHBondContact OE1-CA 3.45Å; E54-N126 PolarHBondContact OE1-N 2.96Å; E54-V128 HydrophobicContact CB-CG2 4.36Å
55	R	89.9	Confident	91.9	Very high	207 Å²	207	53.6 Å²	53.6	78%	0.781	26%	0.257	S	S	*	.	H	α-helix	trans	-61.5	-49.8	178.3	-65.6	-175	-174.4	173.6	2	111.9	N53 C57 V58 E59	N53-R55 VanDerWaalsContact C-N 3.32Å; N53-R55 PolarHBondContact O-N 3.08Å; R55-C57 VanDerWaalsContact C-N 3.26Å; R55-C57 PolarHBondContact O-N 2.89Å; R55-V58 WeakPolarHBondContact O-CB 3.37Å; R55-V58 PolarHBondContact O-N 3.4Å; R55-V58 VanDerWaalsContact O-N 3.13Å; R55-E59 PolarHBondContact O-N 3.36Å; R55-E59 VanDerWaalsContact O-N 3.09Å
56	K	91.6	Very high	91.7	Very high	114 Å²	114	56.2 Å²	56.2	50%	0.496	27%	0.271	S	S	.	.	H	α-helix	trans	-65.4	-30.1	175.1	-66.5	-170.2	-178.7	-172.6	0	112.5	N53 E60 V158	N53-K56 HydrophobicContact CB-CB 4.42Å; N53-K56 PolarHBondContact O-N 2.95Å; N53-K56 PolarHBondContact OD1-N 3.11Å; K56-E60 WeakPolarHBondContact O-CB 3.3Å; K56-E60 PolarHBondContact O-N 2.95Å; K56-V158 HydrophobicContact CB-CG2 4.12Å
57	C	92.9	Very high	91.5	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-63.7	-42.4	171.8	-176.4	0	0	0	0	112	C50 N53 E54 R55 A61 V158	C50-C57 HydrophobicContact CB-CB 3.6Å; C50-C57 VanDerWaalsContact CB-SG 3.5Å; N53-C57 PolarHBondContact O-N 3.19Å; E54-C57 VanDerWaalsContact O-CB 3.28Å; E54-C57 WeakPolarHBondContact O-CB 3.45Å; E54-C57 PolarHBondContact O-N 3.49Å; E54-C57 VanDerWaalsContact O-N 3.16Å; R55-C57 VanDerWaalsContact C-N 3.26Å; R55-C57 PolarHBondContact O-N 2.89Å; C57-A61 WeakPolarHBondContact O-CB 3.18Å; C57-A61 PolarHBondContact O-N 3.22Å; C57-V158 HydrophobicContact CB-CG1 3.84Å
58	V	93	Very high	91.3	Very high	29 Å²	29	60.3 Å²	60.3	18%	0.176	29%	0.291	C	S	.	.	H	α-helix	trans	-63.2	-45.1	177.1	172.1	0	0	0	0	110.3	E54 R55 A61 Y62 V128	E54-V58 WeakPolarHBondContact O-CG2 3.46Å; E54-V58 PolarHBondContact O-N 2.95Å; R55-V58 WeakPolarHBondContact O-CB 3.37Å; R55-V58 PolarHBondContact O-N 3.4Å; R55-V58 VanDerWaalsContact O-N 3.13Å; V58-A61 PolarHBondContact O-N 3.31Å; V58-Y62 HydrophobicContact CG1-CD2 3.65Å; V58-Y62 HydrophobicContact CG1-CE2 3.33Å; V58-Y62 WeakPolarHBondContact O-CD2 3.49Å; V58-Y62 PolarHBondContact O-N 3.03Å; V58-V128 HydrophobicContact CG2-CG1 3.72Å; V58-V128 HydrophobicContact CG2-CG2 4.09Å
59	E	92.3	Very high	90.9	Very high	128 Å²	128	60.3 Å²	60.3	60%	0.598	29%	0.291	S	S	*	.	H	α-helix	trans	-61.4	-52.3	176.5	-68.4	162.9	-169.4	0	0	112.4	R55 A61 Y62 S63	R55-E59 PolarHBondContact O-N 3.36Å; R55-E59 VanDerWaalsContact O-N 3.09Å; E59-A61 VanDerWaalsContact C-N 3.27Å; E59-A61 PolarHBondContact O-N 2.78Å; E59-Y62 PolarHBondContact O-N 3.14Å; E59-S63 PolarHBondContact O-N 3.06Å; E59-S63 VanDerWaalsContact O-N 3.07Å
60	E	93.4	Very high	90.7	Very high	48 Å²	48	62.9 Å²	62.9	22%	0.224	30%	0.304	C	S	.	.	H	α-helix	trans	-59.4	-38.3	175.3	-78.6	-170.4	-171.4	0	0	111.7	K56 S63 L64 R157 V158 I159	K56-E60 WeakPolarHBondContact O-CB 3.3Å; K56-E60 PolarHBondContact O-N 2.95Å; E60-S63 PolarHBondContact O-N 2.79Å; E60-L64 WeakPolarHBondContact O-CB 3.17Å; E60-L64 PolarHBondContact O-N 2.88Å; E60-R157 WeakPolarHBondContact OE1-CB 3.49Å; E60-R157 PolarHBondContact OE2-N 2.85Å; E60-V158 WeakPolarHBondContact OE1-CG2 3.4Å; E60-V158 PolarHBondContact OE1-N 3.1Å; E60-V158 PolarHBondContact OE2-N 3.43Å; E60-I159 HydrophobicContact CB-CD1 4.14Å; E60-I159 HydrophobicContact CB-CG1 4.5Å
61	A	93.8	Very high	90.5	Very high	0 Å²	0	68.1 Å²	68.1	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-69.3	-43	-179.2	0	0	0	0	0	112.2	I48 C57 V58 E59 L64 L65 I130 I159	I48-A61 HydrophobicContact CD1-CB 3.5Å; I48-A61 VanDerWaalsContact CD1-CB 3.5Å; C57-A61 WeakPolarHBondContact O-CB 3.18Å; C57-A61 PolarHBondContact O-N 3.22Å; V58-A61 PolarHBondContact O-N 3.31Å; E59-A61 VanDerWaalsContact C-N 3.27Å; E59-A61 PolarHBondContact O-N 2.78Å; A61-L64 PolarHBondContact O-N 2.89Å; A61-L65 WeakPolarHBondContact O-CB 3.27Å; A61-L65 WeakPolarHBondContact O-CG 3.44Å; A61-L65 PolarHBondContact O-N 3.33Å; A61-I130 HydrophobicContact CB-CD1 3.46Å; A61-I130 VanDerWaalsContact CB-CD1 3.46Å; A61-I159 HydrophobicContact CB-CD1 3.86Å
62	Y	93.4	Very high	90.7	Very high	72 Å²	72	66.4 Å²	66.4	28%	0.282	32%	0.321	S	S	.	.	H	α-helix	trans	-62.7	-42.8	173.8	-77.1	-57.2	0	0	0	111.8	V58 E59 L64 L65 N66 F117 S119	V58-Y62 HydrophobicContact CG1-CD2 3.65Å; V58-Y62 HydrophobicContact CG1-CE2 3.33Å; V58-Y62 WeakPolarHBondContact O-CD2 3.49Å; V58-Y62 PolarHBondContact O-N 3.03Å; E59-Y62 PolarHBondContact O-N 3.14Å; Y62-L64 VanDerWaalsContact C-N 3.33Å; Y62-L64 PolarHBondContact O-N 2.89Å; Y62-L65 PolarHBondContact O-N 3.48Å; Y62-N66 VanDerWaalsContact O-CB 3.29Å; Y62-N66 WeakPolarHBondContact O-CB 3.39Å; Y62-N66 VanDerWaalsContact O-CG 3.25Å; Y62-N66 PolarHBondContact O-N 2.86Å; Y62-N66 PolarHBondContact O-ND2 3.47Å; Y62-F117 HydrophobicContact CD1-CB 3.97Å; Y62-F117 HydrophobicContact CE1-CB 3.76Å; Y62-S119 WeakPolarHBondContact OH-CB 3.34Å; Y62-S119 PolarHBondContact OH-N 3.32Å
63	S	93.4	Very high	90.8	Very high	84 Å²	84	63 Å²	63	59%	0.587	30%	0.3	S	S	*	.	H	α-helix	trans	-58.4	-46.3	176.9	-169.9	0	0	0	0	111.6	E59 E60 E67	E59-S63 PolarHBondContact O-N 3.06Å; E59-S63 VanDerWaalsContact O-N 3.07Å; E60-S63 PolarHBondContact O-N 2.79Å; S63-E67 PolarHBondContact O-N 3.41Å
64	L	93.5	Very high	90.7	Very high	6 Å²	6	61.1 Å²	61.1	3%	0.031	30%	0.295	C	S	.	.	H	α-helix	trans	-68.5	-45.4	179.4	-167.7	77.7	0	0	0	112.1	E60 A61 Y62 E67 Y68 I144 K155 T156 M162 L264	E60-L64 WeakPolarHBondContact O-CB 3.17Å; E60-L64 PolarHBondContact O-N 2.88Å; A61-L64 PolarHBondContact O-N 2.89Å; Y62-L64 VanDerWaalsContact C-N 3.33Å; Y62-L64 PolarHBondContact O-N 2.89Å; L64-E67 PolarHBondContact O-N 3.43Å; L64-Y68 HydrophobicContact CD1-CD2 4.25Å; L64-Y68 HydrophobicContact CD1-CE2 3.75Å; L64-Y68 HydrophobicContact CG-CD2 4.24Å; L64-Y68 HydrophobicContact CG-CE2 4.17Å; L64-Y68 WeakPolarHBondContact O-CD2 3.49Å; L64-Y68 PolarHBondContact O-N 3Å; L64-I144 HydrophobicContact CD2-CG2 4.05Å; L64-K155 HydrophobicContact CD1-CB 3.66Å; L64-K155 HydrophobicContact CD1-CD 3.84Å; L64-K155 HydrophobicContact CD1-CG 4.39Å; L64-T156 HydrophobicContact CD1-CG2 4.26Å; L64-T156 HydrophobicContact CD2-CG2 3.79Å; L64-M162 HydrophobicContact CD2-CE 4.25Å; L64-M162 HydrophobicContact CD2-SD 3.68Å; L64-L264 HydrophobicContact CD2-CD2 3.95Å
65	L	92.9	Very high	90	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-70.9	-31.2	-176.1	-71.1	173.9	0	0	0	112.7	I46 A61 Y62 G69 F117 I130 L140 I144 M162	I46-L65 HydrophobicContact CD1-CD1 4.16Å; I46-L65 HydrophobicContact CD1-CD2 3.4Å; I46-L65 VanDerWaalsContact CD1-CD2 3.4Å; I46-L65 HydrophobicContact CD1-CG 4.45Å; A61-L65 WeakPolarHBondContact O-CB 3.27Å; A61-L65 WeakPolarHBondContact O-CG 3.44Å; A61-L65 PolarHBondContact O-N 3.33Å; Y62-L65 PolarHBondContact O-N 3.48Å; L65-G69 VanDerWaalsContact O-CA 3.25Å; L65-G69 WeakPolarHBondContact O-CA 3.44Å; L65-G69 PolarHBondContact O-N 3.25Å; L65-F117 HydrophobicContact CB-CD1 4.14Å; L65-F117 HydrophobicContact CB-CD2 4.1Å; L65-F117 HydrophobicContact CB-CE1 3.93Å; L65-F117 HydrophobicContact CB-CE2 3.89Å; L65-F117 HydrophobicContact CB-CG 4.23Å; L65-F117 HydrophobicContact CB-CZ 3.8Å; L65-F117 HydrophobicContact CD1-CD1 3.97Å; L65-F117 HydrophobicContact CD1-CE1 4.24Å; L65-F117 HydrophobicContact CD1-CG 4.44Å; L65-F117 HydrophobicContact CD2-CE1 4.3Å; L65-F117 HydrophobicContact CG-CE1 4.39Å; L65-F117 VanDerWaalsContact O-CE2 3.29Å; L65-F117 WeakPolarHBondContact O-CE2 3.48Å; L65-F117 WeakPolarHBondContact O-CZ 3.49Å; L65-I130 HydrophobicContact CD1-CB 4.4Å; L65-I130 HydrophobicContact CD1-CD1 3.8Å; L65-I130 HydrophobicContact CD1-CG2 4.01Å; L65-L140 HydrophobicContact CD2-CD2 3.83Å; L65-L140 HydrophobicContact CD2-CG 4.37Å; L65-I144 HydrophobicContact CD2-CD1 3.98Å; L65-M162 HydrophobicContact CD2-CE 3.68Å; L65-M162 HydrophobicContact CG-CE 4.18Å
66	N	91.8	Very high	88.9	Confident	55 Å²	55	54.3 Å²	54.3	29%	0.294	28%	0.281	S	S	.	.	H	α-helix	trans	-71.5	-44.2	173	-71.6	-20.2	0	0	0	111.5	Y62 G69 D70 F117	Y62-N66 VanDerWaalsContact O-CB 3.29Å; Y62-N66 WeakPolarHBondContact O-CB 3.39Å; Y62-N66 VanDerWaalsContact O-CG 3.25Å; Y62-N66 PolarHBondContact O-N 2.86Å; Y62-N66 PolarHBondContact O-ND2 3.47Å; N66-G69 PolarHBondContact O-N 3.47Å; N66-D70 WeakPolarHBondContact O-CB 3.48Å; N66-D70 PolarHBondContact O-N 2.69Å; N66-F117 VanDerWaalsContact OD1-CD2 3.3Å; N66-F117 WeakPolarHBondContact OD1-CD2 3.45Å
67	E	91.9	Very high	87.2	Confident	85 Å²	85	58 Å²	58	40%	0.397	30%	0.297	S	S	.	.	H	α-helix	trans	-51.2	-61.7	176.3	-174.5	-171.7	171.8	0	0	111.2	S63 L64 G69 D70 D71 K155	S63-E67 PolarHBondContact O-N 3.41Å; L64-E67 PolarHBondContact O-N 3.43Å; E67-G69 VanDerWaalsContact C-N 3.3Å; E67-G69 PolarHBondContact O-N 3.01Å; E67-D70 PolarHBondContact O-N 3.39Å; E67-D71 PolarHBondContact O-N 3.04Å; E67-D71 VanDerWaalsContact O-N 3.14Å; E67-K155 IonicContact OE1-NZ 3.62Å; E67-K155 PolarHBondContact OE1-NZ 2.99Å; E67-K155 IonicContact OE2-NZ 3.36Å
68	Y	91.4	Very high	85.4	Confident	3 Å²	3	61.2 Å²	61.2	1%	0.012	31%	0.311	C	S	.	.	H	α-helix	trans	-74.3	-19.8	179.4	-68	-87	0	0	0	113.9	L64 M72 H143 I144 D147 K155	L64-Y68 HydrophobicContact CD1-CD2 4.25Å; L64-Y68 HydrophobicContact CD1-CE2 3.75Å; L64-Y68 HydrophobicContact CG-CD2 4.24Å; L64-Y68 HydrophobicContact CG-CE2 4.17Å; L64-Y68 WeakPolarHBondContact O-CD2 3.49Å; L64-Y68 PolarHBondContact O-N 3Å; Y68-M72 PolarHBondContact O-N 2.8Å; Y68-H143 AromaticContact CD1-CD2 3.63Å; Y68-H143 AromaticContact CD1-NE2 3.89Å; Y68-I144 HydrophobicContact CD1-CG1 4.09Å; Y68-I144 HydrophobicContact CD2-CB 4.48Å; Y68-I144 HydrophobicContact CD2-CD1 4.21Å; Y68-I144 HydrophobicContact CD2-CG1 3.54Å; Y68-I144 HydrophobicContact CE1-CG1 4.4Å; Y68-I144 HydrophobicContact CE2-CB 4.34Å; Y68-I144 HydrophobicContact CE2-CG1 3.86Å; Y68-I144 HydrophobicContact CE2-CG2 4.09Å; Y68-I144 HydrophobicContact CG-CD1 4.44Å; Y68-I144 HydrophobicContact CG-CG1 3.6Å; Y68-D147 HydrophobicContact CE1-CB 3.88Å; Y68-D147 PolarHBondContact OH-OD2 2.92Å; Y68-K155 HydrophobicContact CE2-CD 3.85Å; Y68-K155 WeakPolarHBondContact OH-CD 2.93Å; Y68-K155 WeakPolarHBondContact OH-CE 3.23Å; Y68-K155 PolarHBondContact OH-NZ 3.2Å
69	G	88.3	Confident	83	Confident	0 Å²	0	66.5 Å²	66.5	0%	0	34%	0.343	C	S	.	.	H	α-helix	trans	-71.6	-42	175.6	0	0	0	0	0	111.6	L65 N66 E67 Y73	L65-G69 VanDerWaalsContact O-CA 3.25Å; L65-G69 WeakPolarHBondContact O-CA 3.44Å; L65-G69 PolarHBondContact O-N 3.25Å; N66-G69 PolarHBondContact O-N 3.47Å; E67-G69 VanDerWaalsContact C-N 3.3Å; E67-G69 PolarHBondContact O-N 3.01Å; G69-Y73 WeakPolarHBondContact O-CA 3.41Å; G69-Y73 WeakPolarHBondContact O-CB 3.36Å; G69-Y73 PolarHBondContact O-N 2.93Å
70	D	89.3	Confident	80.7	Confident	64 Å²	64	67.7 Å²	67.7	34%	0.342	35%	0.354	S	S	.	.	H	α-helix	trans	-71.9	-37.5	176	-64.9	-19.2	0	0	0	111	N66 E67 M72 G74 R116	N66-D70 WeakPolarHBondContact O-CB 3.48Å; N66-D70 PolarHBondContact O-N 2.69Å; E67-D70 PolarHBondContact O-N 3.39Å; D70-M72 PolarHBondContact O-N 2.73Å; D70-G74 WeakPolarHBondContact O-CA 3.14Å; D70-G74 PolarHBondContact O-N 2.84Å; D70-R116 IonicContact OD1-CZ 2.63Å; D70-R116 IonicContact OD1-NH1 3.58Å; D70-R116 PolarHBondContact OD1-NH1 3.07Å; D70-R116 IonicContact OD1-NH2 2.71Å; D70-R116 PolarHBondContact OD1-NH2 2.81Å
71	D	88.2	Confident	78.1	Confident	117 Å²	117	74.6 Å²	74.6	63%	0.626	38%	0.383	S	S	*	.	H	α-helix	trans	-60.5	-42.2	173.5	-74.2	-20.7	0	0	0	113.1	E67	E67-D71 PolarHBondContact O-N 3.04Å; E67-D71 VanDerWaalsContact O-N 3.14Å
72	M	87.6	Confident	75.9	Confident	73 Å²	73	81.6 Å²	81.6	36%	0.36	42%	0.421	S	S	.	.	H	α-helix	trans	-93.2	-35.2	-175.5	-68	-145.6	-48.8	0	0	115.1	Y68 D70 K139 L140 H143	Y68-M72 PolarHBondContact O-N 2.8Å; D70-M72 PolarHBondContact O-N 2.73Å; M72-K139 HydrophobicContact CE-CB 4.48Å; M72-L140 HydrophobicContact CE-CB 4.16Å; M72-L140 HydrophobicContact CE-CD1 4.01Å; M72-H143 HydrophobicContact CE-CB 4.32Å; M72-H143 HydrophobicContact SD-CB 3.78Å
73	Y	84.6	Confident	73.2	Confident	91 Å²	91	87.1 Å²	87.1	36%	0.357	45%	0.449	S	S	.	.	H	α-helix	trans	-115	-3.3	-173	-59	-83.9	0	0	0	113.2	G69 I135	G69-Y73 WeakPolarHBondContact O-CA 3.41Å; G69-Y73 WeakPolarHBondContact O-CB 3.36Å; G69-Y73 PolarHBondContact O-N 2.93Å; Y73-I135 HydrophobicContact CD2-CD1 4.17Å; Y73-I135 HydrophobicContact CD2-CG1 4.14Å; Y73-I135 HydrophobicContact CD2-CG2 4.49Å; Y73-I135 HydrophobicContact CE2-CB 4.44Å; Y73-I135 HydrophobicContact CE2-CD1 4.4Å; Y73-I135 HydrophobicContact CE2-CG1 4.15Å; Y73-I135 HydrophobicContact CE2-CG2 3.73Å; Y73-I135 HydrophobicContact CG-CG1 4.36Å
74	G	82	Confident	70.8	Confident	25 Å²	25	90.7 Å²	90.7	26%	0.258	46%	0.456	S	S	.	.			trans	79.7	167.3	-173.4	0	0	0	0	0	113.2	D70 R116	D70-G74 WeakPolarHBondContact O-CA 3.14Å; D70-G74 PolarHBondContact O-N 2.84Å; G74-R116 PolarHBondContact O-NH1 3.38Å
75	P	74.8	Confident	68.1	Low	96 Å²	96	96 Å²	96	62%	0.623	49%	0.491	S	S	*	.	S	Bend	trans	-60.3	145.7	-178.6	24.8	-34.5	0	0	0	112.1	K77	P75-K77 PolarHBondContact O-N 2.57Å
76	E	67.5	Low	65.7	Low	50 Å²	50	101 Å²	101	23%	0.234	53%	0.526	C	S	.	.			trans	-61.9	97.4	-180	-155.5	160.9	-119.6	0	0	111	F78 R116	E76-F78 VanDerWaalsContact C-N 3.28Å; E76-F78 HydrophobicContact CB-CD2 4.47Å; E76-F78 HydrophobicContact CB-CE2 4.02Å; E76-F78 HydrophobicContact CG-CD2 4.31Å; E76-F78 HydrophobicContact CG-CE1 4.5Å; E76-F78 HydrophobicContact CG-CE2 3.66Å; E76-F78 HydrophobicContact CG-CZ 3.77Å; E76-F78 PolarHBondContact O-N 2.66Å; E76-F78 WeakPolarHBondContact OE2-CE2 3.33Å; E76-F78 WeakPolarHBondContact OE2-CZ 3.47Å; E76-R116 VanDerWaalsContact CD-NE 3.32Å; E76-R116 HydrophobicContact CG-CG 4.09Å; E76-R116 WeakPolarHBondContact OE1-CA 3.25Å; E76-R116 WeakPolarHBondContact OE1-CB 3.4Å; E76-R116 WeakPolarHBondContact OE1-CD 3.5Å; E76-R116 WeakPolarHBondContact OE1-CG 3.5Å; E76-R116 IonicContact OE1-CZ 3.6Å; E76-R116 PolarHBondContact OE1-N 2.97Å; E76-R116 IonicContact OE1-NE 3.19Å; E76-R116 PolarHBondContact OE1-NE 3.1Å; E76-R116 IonicContact OE1-NH2 2.66Å
77	K	55	Low	63.2	Low	191 Å²	191	102 Å²	102	83%	0.83	55%	0.55	S	S	*	.			trans	-73.7	81.2	175.7	-67	-173.4	-177.7	-179	0	110.5	P75	P75-K77 PolarHBondContact O-N 2.57Å
78	F	55.5	Low	60.4	Low	69 Å²	69	103.5 Å²	103.5	30%	0.303	57%	0.57	S	S	.	*			trans	-58.4	137.9	153.6	-64.1	-71.3	0	0	0	108.3	E76 D80 E111 R115	E76-F78 VanDerWaalsContact C-N 3.28Å; E76-F78 HydrophobicContact CB-CD2 4.47Å; E76-F78 HydrophobicContact CB-CE2 4.02Å; E76-F78 HydrophobicContact CG-CD2 4.31Å; E76-F78 HydrophobicContact CG-CE1 4.5Å; E76-F78 HydrophobicContact CG-CE2 3.66Å; E76-F78 HydrophobicContact CG-CZ 3.77Å; E76-F78 PolarHBondContact O-N 2.66Å; E76-F78 WeakPolarHBondContact OE2-CE2 3.33Å; E76-F78 WeakPolarHBondContact OE2-CZ 3.47Å; F78-D80 PolarHBondContact O-N 2.97Å; F78-E111 HydrophobicContact CD1-CG 3.41Å; F78-E111 VanDerWaalsContact CD1-CG 3.41Å; F78-E111 HydrophobicContact CE1-CG 3.49Å; F78-E111 VanDerWaalsContact CE1-CG 3.49Å; F78-E111 HydrophobicContact CG-CG 4.32Å; F78-E111 HydrophobicContact CZ-CG 4.45Å; F78-R115 HydrophobicContact CE1-CG 3.99Å; F78-R115 HydrophobicContact CZ-CB 4.46Å; F78-R115 HydrophobicContact CZ-CG 3.79Å
79	T	41.7	Very low	58.2	Low	139 Å²	139	113 Å²	113	85%	0.853	61%	0.614	S	S	*	*			trans	-77.6	77.9	179.3	51	0	0	0	0	109.8	K81	T79-K81 VanDerWaalsContact C-N 3.27Å; T79-K81 PolarHBondContact O-N 3.3Å
80	D	44.5	Very low	55.9	Low	153 Å²	153	115.2 Å²	115.2	82%	0.818	64%	0.637	S	S	*	*			trans	-62.6	97.6	153.2	-73.7	-39.3	0	0	0	107.4	F78	F78-D80 PolarHBondContact O-N 2.97Å
81	K	40	Very low	54.1	Low	194 Å²	194	121.3 Å²	121.3	84%	0.843	66%	0.664	S	S	*	*			trans	-130.4	105.2	158.4	-100.2	-165.8	171.9	-173.1	0	108.8	T79 Q83	T79-K81 VanDerWaalsContact C-N 3.27Å; T79-K81 PolarHBondContact O-N 3.3Å; K81-Q83 PolarHBondContact O-N 3.42Å
82	D	47.4	Very low	52.1	Low	147 Å²	147	122.7 Å²	122.7	79%	0.786	67%	0.671	S	S	*	*			trans	-47.2	116.3	169.4	-55.8	-84.6	0	0	0	111.5
83	Q	36.7	Very low	50.6	Low	188 Å²	188	124.8 Å²	124.8	88%	0.879	68%	0.684	S	S	*	*			trans	-129.7	79.2	142.1	-78	-169.2	-10.4	0	0	107.4	K81 P85	K81-Q83 PolarHBondContact O-N 3.42Å; Q83-P85 VanDerWaalsContact O-CD 3.31Å; Q83-P85 WeakPolarHBondContact O-CD 3.27Å
84	Q	41.9	Very low	50	Low	158 Å²	158	127.6 Å²	127.6	74%	0.738	71%	0.705	S	S	*	*			trans	-69.6	112	153.9	175.7	-178.3	-10.8	0	0	107	S86	Q84-S86 PolarHBondContact O-N 2.92Å
85	P	37.1	Very low	49.8	Very low	117 Å²	117	132 Å²	132	76%	0.76	73%	0.727	S	S	*	*			trans	-74.3	106.3	161.4	5.9	12.5	0	0	0	106.1	Q83 G87	Q83-P85 VanDerWaalsContact O-CD 3.31Å; Q83-P85 WeakPolarHBondContact O-CD 3.27Å; P85-G87 PolarHBondContact O-N 2.83Å
86	S	43.4	Very low	50	Low	105 Å²	105	134.5 Å²	134.5	73%	0.734	73%	0.73	S	S	*	*			trans	-72.8	118.9	169.4	52	0	0	0	0	109.8	Q84	Q84-S86 PolarHBondContact O-N 2.92Å
87	G	38.6	Very low	50.8	Low	77 Å²	77	134.7 Å²	134.7	79%	0.794	74%	0.74	S	S	*	*			trans	101.9	101.7	158.9	0	0	0	0	0	116.5	P85	P85-G87 PolarHBondContact O-N 2.83Å
88	S	32.5	Very low	52.1	Low	116 Å²	116	127.9 Å²	127.9	81%	0.811	72%	0.72	S	S	*	*				-161.7	121.7	110.7	-166.7	0	0	0	0	108.9
89	E	46.4	Very low	53.3	Low	202 Å²	202	129.6 Å²	129.6	94%	0.944	73%	0.731	S	S	*	*			trans	-77.4	118.7	162.7	-62.1	-106.8	140.9	0	0	106.1
90	G	39.9	Very low	55.4	Low	48 Å²	48	130.2 Å²	130.2	50%	0.495	72%	0.722	S	S	.	*			trans	-166.1	123.5	-178.3	0	0	0	0	0	110	D92	G90-D92 PolarHBondContact O-N 2.72Å
91	E	49.8	Very low	57.4	Low	192 Å²	192	129.9 Å²	129.9	90%	0.897	71%	0.713	S	S	*	*	S	Bend	trans	-73.7	59.3	-166.3	-60.1	174.3	121.1	0	0	113.9
92	D	48.2	Very low	59.4	Low	146 Å²	146	126.4 Å²	126.4	78%	0.781	70%	0.7	S	S	*	*			trans	-121.2	28.4	172.4	-78.7	-52.5	0	0	0	111.4	G90 D94	G90-D92 PolarHBondContact O-N 2.72Å; D92-D94 VanDerWaalsContact C-N 3.33Å; D92-D94 PolarHBondContact O-N 2.74Å
93	D	55.5	Low	61.1	Low	116 Å²	116	122.3 Å²	122.3	62%	0.62	68%	0.68	S	S	*	*	H	α-helix	trans	-60.8	-19.1	-159.5	-80.7	-61.6	0	0	0	117.6	A97	D93-A97 WeakPolarHBondContact O-CB 3.31Å; D93-A97 PolarHBondContact O-N 3.14Å
94	D	71.9	Confident	63.2	Low	150 Å²	150	114.9 Å²	114.9	80%	0.802	66%	0.655	S	S	*	*	H	α-helix	trans	-75.5	-37.8	-172.4	-95.7	-25.6	0	0	0	113.8	D92 A98	D92-D94 VanDerWaalsContact C-N 3.33Å; D92-D94 PolarHBondContact O-N 2.74Å; D94-A98 WeakPolarHBondContact O-CB 3.29Å; D94-A98 PolarHBondContact O-N 3.39Å
95	V	76.7	Confident	65.1	Low	119 Å²	119	112.2 Å²	112.2	72%	0.721	65%	0.645	S	S	*	*	H	α-helix	trans	-86.6	-43.6	-173.6	-176	0	0	0	0	111.5	L99	V95-L99 PolarHBondContact O-N 3.19Å
96	E	80.3	Confident	66.9	Low	148 Å²	148	111.7 Å²	111.7	69%	0.692	64%	0.635	S	S	*	*	H	α-helix	trans	-70.1	-40.6	178.5	-170.8	174.4	163.5	0	0	111.5	A98 L99 K100	E96-A98 VanDerWaalsContact C-N 3.35Å; E96-A98 PolarHBondContact O-N 2.99Å; E96-L99 PolarHBondContact O-N 2.82Å; E96-K100 VanDerWaalsContact O-CB 3.27Å; E96-K100 WeakPolarHBondContact O-CB 3.05Å; E96-K100 PolarHBondContact O-N 3.46Å
97	A	83.8	Confident	68.5	Low	53 Å²	53	113.6 Å²	113.6	44%	0.438	63%	0.63	S	S	.	*	H	α-helix	trans	-66.2	-36.9	176.1	0	0	0	0	0	112.2	D93 K100 K101	D93-A97 WeakPolarHBondContact O-CB 3.31Å; D93-A97 PolarHBondContact O-N 3.14Å; A97-K100 PolarHBondContact O-N 3.27Å; A97-K101 VanDerWaalsContact O-CB 3.29Å; A97-K101 WeakPolarHBondContact O-CB 3.19Å; A97-K101 PolarHBondContact O-N 3.48Å
98	A	81.6	Confident	70.2	Confident	49 Å²	49	112 Å²	112	41%	0.405	61%	0.61	S	S	.	*	H	α-helix	trans	-61.4	-47.7	172.6	0	0	0	0	0	111.5	D94 E96 K101 E102	D94-A98 WeakPolarHBondContact O-CB 3.29Å; D94-A98 PolarHBondContact O-N 3.39Å; E96-A98 VanDerWaalsContact C-N 3.35Å; E96-A98 PolarHBondContact O-N 2.99Å; A98-K101 WeakPolarHBondContact O-CB 3.21Å; A98-K101 PolarHBondContact O-N 3.23Å; A98-E102 PolarHBondContact O-N 3.36Å
99	L	81.6	Confident	71.9	Confident	105 Å²	105	109.1 Å²	109.1	55%	0.55	59%	0.589	S	S	.	*	H	α-helix	trans	-63.9	-42.8	177.9	-176.9	62.4	0	0	0	112.1	V95 E96 K101 E102 V103	V95-L99 PolarHBondContact O-N 3.19Å; E96-L99 PolarHBondContact O-N 2.82Å; L99-K101 VanDerWaalsContact C-N 3.29Å; L99-K101 PolarHBondContact O-N 2.86Å; L99-E102 PolarHBondContact O-N 3.02Å; L99-V103 HydrophobicContact CD1-CG2 4.43Å; L99-V103 WeakPolarHBondContact O-CB 3.47Å; L99-V103 VanDerWaalsContact O-CG2 3.3Å; L99-V103 WeakPolarHBondContact O-CG2 3.38Å; L99-V103 PolarHBondContact O-N 2.89Å
100	K	86.1	Confident	72.8	Confident	152 Å²	152	102.4 Å²	102.4	66%	0.661	56%	0.562	S	S	*	*	H	α-helix	trans	-62.3	-37.3	176.9	-171.2	173.9	-175.1	173.7	0	111.8	E96 A97 G104	E96-K100 VanDerWaalsContact O-CB 3.27Å; E96-K100 WeakPolarHBondContact O-CB 3.05Å; E96-K100 PolarHBondContact O-N 3.46Å; A97-K100 PolarHBondContact O-N 3.27Å; K100-G104 PolarHBondContact O-N 3.06Å
101	K	85.8	Confident	74.2	Confident	145 Å²	145	103.6 Å²	103.6	63%	0.63	56%	0.555	S	S	*	*	H	α-helix	trans	-66.8	-47.6	173	-178.3	180	177.2	179.4	0	112	A97 A98 L99 V103 G104 D105	A97-K101 VanDerWaalsContact O-CB 3.29Å; A97-K101 WeakPolarHBondContact O-CB 3.19Å; A97-K101 PolarHBondContact O-N 3.48Å; A98-K101 WeakPolarHBondContact O-CB 3.21Å; A98-K101 PolarHBondContact O-N 3.23Å; L99-K101 VanDerWaalsContact C-N 3.29Å; L99-K101 PolarHBondContact O-N 2.86Å; K101-V103 VanDerWaalsContact C-N 3.34Å; K101-V103 PolarHBondContact O-N 3.43Å; K101-G104 CarbonylContact O-C 3.53Å; K101-G104 WeakPolarHBondContact O-CA 3.38Å; K101-G104 PolarHBondContact O-N 3.21Å; K101-G104 VanDerWaalsContact O-N 3.09Å; K101-D105 PolarHBondContact O-N 3.02Å
102	E	82.2	Confident	74.9	Confident	122 Å²	122	98.9 Å²	98.9	57%	0.57	54%	0.535	S	S	*	.	H	α-helix	trans	-61.5	-41.3	176.6	-72.1	-171.9	165.2	0	0	111.9	A98 L99 G104 D105 I106	A98-E102 PolarHBondContact O-N 3.36Å; L99-E102 PolarHBondContact O-N 3.02Å; E102-G104 VanDerWaalsContact C-N 3.31Å; E102-G104 PolarHBondContact O-N 3.48Å; E102-D105 PolarHBondContact O-N 2.89Å; E102-I106 WeakPolarHBondContact O-CB 3.2Å; E102-I106 WeakPolarHBondContact O-CD1 3.45Å; E102-I106 WeakPolarHBondContact O-CG1 3.41Å; E102-I106 PolarHBondContact O-N 3.49Å
103	V	83.6	Confident	75.5	Confident	60 Å²	60	97.8 Å²	97.8	36%	0.364	52%	0.52	S	S	.	.	H	α-helix	trans	-63.1	-37.5	173.1	170.4	0	0	0	0	111.4	L99 K101 K107	L99-V103 HydrophobicContact CD1-CG2 4.43Å; L99-V103 WeakPolarHBondContact O-CB 3.47Å; L99-V103 VanDerWaalsContact O-CG2 3.3Å; L99-V103 WeakPolarHBondContact O-CG2 3.38Å; L99-V103 PolarHBondContact O-N 2.89Å; K101-V103 VanDerWaalsContact C-N 3.34Å; K101-V103 PolarHBondContact O-N 3.43Å; V103-K107 HydrophobicContact CG1-CD 4.19Å; V103-K107 WeakPolarHBondContact O-CB 3.46Å; V103-K107 VanDerWaalsContact O-CG 3.28Å; V103-K107 WeakPolarHBondContact O-CG 3.23Å; V103-K107 PolarHBondContact O-N 3.5Å
104	G	81.1	Confident	76.1	Confident	33 Å²	33	97.9 Å²	97.9	34%	0.34	52%	0.52	S	S	.	.	H	α-helix	trans	-61.9	-49.5	171.9	0	0	0	0	0	112.7	K100 K101 E102 I106 K107 A108	K100-G104 PolarHBondContact O-N 3.06Å; K101-G104 CarbonylContact O-C 3.53Å; K101-G104 WeakPolarHBondContact O-CA 3.38Å; K101-G104 PolarHBondContact O-N 3.21Å; K101-G104 VanDerWaalsContact O-N 3.09Å; E102-G104 VanDerWaalsContact C-N 3.31Å; E102-G104 PolarHBondContact O-N 3.48Å; G104-I106 VanDerWaalsContact C-N 3.32Å; G104-I106 PolarHBondContact O-N 3.1Å; G104-K107 PolarHBondContact O-N 3.28Å; G104-A108 WeakPolarHBondContact O-CB 3.34Å; G104-A108 PolarHBondContact O-N 3.4Å
105	D	80.1	Confident	76.4	Confident	101 Å²	101	95.3 Å²	95.3	54%	0.54	50%	0.499	S	S	.	.	H	α-helix	trans	-61.6	-38.9	177.6	-71.9	-20.5	0	0	0	111.4	K101 E102 S109	K101-D105 PolarHBondContact O-N 3.02Å; E102-D105 PolarHBondContact O-N 2.89Å; D105-S109 WeakPolarHBondContact O-CB 3.01Å; D105-S109 PolarHBondContact O-N 3.43Å
106	I	76.4	Confident	76.7	Confident	106 Å²	106	91 Å²	91	54%	0.544	47%	0.47	S	S	.	.	H	α-helix	trans	-66.2	-44.2	174.3	-69	164.9	0	0	0	111.3	E102 G104 S109 T110	E102-I106 WeakPolarHBondContact O-CB 3.2Å; E102-I106 WeakPolarHBondContact O-CD1 3.45Å; E102-I106 WeakPolarHBondContact O-CG1 3.41Å; E102-I106 PolarHBondContact O-N 3.49Å; G104-I106 VanDerWaalsContact C-N 3.32Å; G104-I106 PolarHBondContact O-N 3.1Å; I106-S109 PolarHBondContact O-N 3.47Å; I106-T110 VanDerWaalsContact O-CB 3.3Å; I106-T110 WeakPolarHBondContact O-CB 3.49Å; I106-T110 PolarHBondContact O-N 2.91Å; I106-T110 PolarHBondContact O-OG1 2.93Å
107	K	76	Confident	77.1	Confident	145 Å²	145	84.2 Å²	84.2	63%	0.63	44%	0.438	S	S	*	.	H	α-helix	trans	-61.8	-49.8	176.4	-77.5	174.6	178.4	-176.3	0	110.9	V103 G104 S109 T110 E111	V103-K107 HydrophobicContact CG1-CD 4.19Å; V103-K107 WeakPolarHBondContact O-CB 3.46Å; V103-K107 VanDerWaalsContact O-CG 3.28Å; V103-K107 WeakPolarHBondContact O-CG 3.23Å; V103-K107 PolarHBondContact O-N 3.5Å; G104-K107 PolarHBondContact O-N 3.28Å; K107-S109 PolarHBondContact O-N 2.94Å; K107-T110 CarbonylContact O-C 3.59Å; K107-T110 WeakPolarHBondContact O-CB 3.16Å; K107-T110 PolarHBondContact O-N 3.46Å; K107-T110 VanDerWaalsContact O-N 3.11Å; K107-E111 WeakPolarHBondContact O-CB 3.28Å; K107-E111 PolarHBondContact O-N 3.19Å
108	A	74.4	Confident	77.4	Confident	45 Å²	45	82.2 Å²	82.2	37%	0.372	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-42.3	177.8	0	0	0	0	0	112.5	G104 T110 E111 L112	G104-A108 WeakPolarHBondContact O-CB 3.34Å; G104-A108 PolarHBondContact O-N 3.4Å; A108-T110 VanDerWaalsContact C-N 3.3Å; A108-T110 PolarHBondContact O-N 2.98Å; A108-E111 PolarHBondContact O-N 3.09Å; A108-L112 WeakPolarHBondContact O-CB 3.47Å; A108-L112 VanDerWaalsContact O-CG 3.26Å; A108-L112 WeakPolarHBondContact O-CG 3.48Å; A108-L112 PolarHBondContact O-N 3.46Å
109	S	67.8	Low	77.8	Confident	54 Å²	54	82.2 Å²	82.2	38%	0.378	42%	0.417	S	S	.	.	H	α-helix	trans	-63	-35.3	174.2	-176.4	0	0	0	0	112.6	D105 I106 K107 R113	D105-S109 WeakPolarHBondContact O-CB 3.01Å; D105-S109 PolarHBondContact O-N 3.43Å; I106-S109 PolarHBondContact O-N 3.47Å; K107-S109 PolarHBondContact O-N 2.94Å; S109-R113 WeakPolarHBondContact O-CD 3.35Å; S109-R113 VanDerWaalsContact O-CG 3.25Å; S109-R113 WeakPolarHBondContact O-CG 3.07Å; S109-R113 PolarHBondContact O-N 3.31Å
110	T	67.1	Low	78.3	Confident	62 Å²	62	77.5 Å²	77.5	38%	0.38	39%	0.392	S	S	.	.	H	α-helix	trans	-73.2	-41.8	176.2	-57.7	0	0	0	0	111.4	I106 K107 A108 R113 L114	I106-T110 VanDerWaalsContact O-CB 3.3Å; I106-T110 WeakPolarHBondContact O-CB 3.49Å; I106-T110 PolarHBondContact O-N 2.91Å; I106-T110 PolarHBondContact O-OG1 2.93Å; K107-T110 CarbonylContact O-C 3.59Å; K107-T110 WeakPolarHBondContact O-CB 3.16Å; K107-T110 PolarHBondContact O-N 3.46Å; K107-T110 VanDerWaalsContact O-N 3.11Å; A108-T110 VanDerWaalsContact C-N 3.3Å; A108-T110 PolarHBondContact O-N 2.98Å; T110-R113 CarbonylContact O-C 3.43Å; T110-R113 WeakPolarHBondContact O-CA 3.14Å; T110-R113 WeakPolarHBondContact O-CB 3.36Å; T110-R113 PolarHBondContact O-N 2.91Å; T110-L114 HydrophobicContact CG2-CD1 3.93Å; T110-L114 HydrophobicContact CG2-CG 4.47Å; T110-L114 WeakPolarHBondContact O-CG 3.38Å; T110-L114 PolarHBondContact O-N 2.79Å
111	E	67.9	Low	78.5	Confident	72 Å²	72	75.1 Å²	75.1	34%	0.336	38%	0.383	S	S	.	.	H	α-helix	trans	-59.5	-47.2	173.7	-168.8	-152.1	115.8	0	0	111.3	F78 K107 A108 R113 L114 R115	F78-E111 HydrophobicContact CD1-CG 3.41Å; F78-E111 VanDerWaalsContact CD1-CG 3.41Å; F78-E111 HydrophobicContact CE1-CG 3.49Å; F78-E111 VanDerWaalsContact CE1-CG 3.49Å; F78-E111 HydrophobicContact CG-CG 4.32Å; F78-E111 HydrophobicContact CZ-CG 4.45Å; K107-E111 WeakPolarHBondContact O-CB 3.28Å; K107-E111 PolarHBondContact O-N 3.19Å; A108-E111 PolarHBondContact O-N 3.09Å; E111-R113 PolarHBondContact O-N 3.43Å; E111-L114 PolarHBondContact O-N 2.9Å; E111-R115 VanDerWaalsContact O-CG 3.26Å; E111-R115 WeakPolarHBondContact O-CG 3.42Å; E111-R115 PolarHBondContact O-N 2.92Å; E111-R115 VanDerWaalsContact O-N 3.09Å; E111-R115 IonicContact OE1-CZ 3.34Å; E111-R115 IonicContact OE1-NE 3.78Å; E111-R115 IonicContact OE1-NH2 3.95Å; E111-R115 PolarHBondContact OE1-NH2 2.86Å
112	L	64.7	Low	78.6	Confident	93 Å²	93	68.3 Å²	68.3	49%	0.487	35%	0.354	S	S	.	.	H	α-helix	trans	-59.9	-24.5	172.6	-71.8	169.3	0	0	0	113.3	A108	A108-L112 WeakPolarHBondContact O-CB 3.47Å; A108-L112 VanDerWaalsContact O-CG 3.26Å; A108-L112 WeakPolarHBondContact O-CG 3.48Å; A108-L112 PolarHBondContact O-N 3.46Å
113	R	61.3	Low	78.9	Confident	124 Å²	124	63.5 Å²	63.5	47%	0.468	34%	0.338	S	S	.	.	H	α-helix	trans	-84.5	-16.1	172.8	-75.6	166	175.8	-157.2	-3.3	113.7	R37 S109 T110 E111 Q118 L133	R37-R113 VanDerWaalsContact NH2-CG 3.3Å; S109-R113 WeakPolarHBondContact O-CD 3.35Å; S109-R113 VanDerWaalsContact O-CG 3.25Å; S109-R113 WeakPolarHBondContact O-CG 3.07Å; S109-R113 PolarHBondContact O-N 3.31Å; T110-R113 CarbonylContact O-C 3.43Å; T110-R113 WeakPolarHBondContact O-CA 3.14Å; T110-R113 WeakPolarHBondContact O-CB 3.36Å; T110-R113 PolarHBondContact O-N 2.91Å; E111-R113 PolarHBondContact O-N 3.43Å; R113-Q118 VanDerWaalsContact C-NE2 3.34Å; R113-Q118 PolarHBondContact O-NE2 3.01Å; R113-Q118 PolarHBondContact O-OE1 2.83Å; R113-L133 WeakPolarHBondContact O-CD1 3.41Å
114	L	67.9	Low	79.3	Confident	117 Å²	117	61 Å²	61	61%	0.613	32%	0.323	S	S	*	.	H	α-helix	trans	-106.4	-10.2	-175.8	-69.3	174.9	0	0	0	114.3	T110 E111	T110-L114 HydrophobicContact CG2-CD1 3.93Å; T110-L114 HydrophobicContact CG2-CG 4.47Å; T110-L114 WeakPolarHBondContact O-CG 3.38Å; T110-L114 PolarHBondContact O-N 2.79Å; E111-L114 PolarHBondContact O-N 2.9Å
115	R	78.3	Confident	79.7	Confident	96 Å²	96	65.7 Å²	65.7	36%	0.362	34%	0.34	S	S	.	.	S	Bend	trans	-51.8	141.1	173.5	-52.3	-153.2	166.8	-175.9	-5.7	111.9	F78 E111 F117 Q118	F78-R115 HydrophobicContact CE1-CG 3.99Å; F78-R115 HydrophobicContact CZ-CB 4.46Å; F78-R115 HydrophobicContact CZ-CG 3.79Å; E111-R115 VanDerWaalsContact O-CG 3.26Å; E111-R115 WeakPolarHBondContact O-CG 3.42Å; E111-R115 PolarHBondContact O-N 2.92Å; E111-R115 VanDerWaalsContact O-N 3.09Å; E111-R115 IonicContact OE1-CZ 3.34Å; E111-R115 IonicContact OE1-NE 3.78Å; E111-R115 IonicContact OE1-NH2 3.95Å; E111-R115 PolarHBondContact OE1-NH2 2.86Å; R115-F117 PolarHBondContact O-N 2.82Å; R115-Q118 PolarHBondContact O-NE2 2.84Å
116	R	82	Confident	80.3	Confident	30 Å²	30	63.5 Å²	63.5	11%	0.113	33%	0.329	C	S	.	.	S	Bend	trans	-56.5	-34.7	-178.1	-66.6	168.4	-51.6	172.8	3	111.7	D70 G74 E76 T132 L133 I135	D70-R116 IonicContact OD1-CZ 2.63Å; D70-R116 IonicContact OD1-NH1 3.58Å; D70-R116 PolarHBondContact OD1-NH1 3.07Å; D70-R116 IonicContact OD1-NH2 2.71Å; D70-R116 PolarHBondContact OD1-NH2 2.81Å; G74-R116 PolarHBondContact O-NH1 3.38Å; E76-R116 VanDerWaalsContact CD-NE 3.32Å; E76-R116 HydrophobicContact CG-CG 4.09Å; E76-R116 WeakPolarHBondContact OE1-CA 3.25Å; E76-R116 WeakPolarHBondContact OE1-CB 3.4Å; E76-R116 WeakPolarHBondContact OE1-CD 3.5Å; E76-R116 WeakPolarHBondContact OE1-CG 3.5Å; E76-R116 IonicContact OE1-CZ 3.6Å; E76-R116 PolarHBondContact OE1-N 2.97Å; E76-R116 IonicContact OE1-NE 3.19Å; E76-R116 PolarHBondContact OE1-NE 3.1Å; E76-R116 IonicContact OE1-NH2 2.66Å; R116-T132 CarbonylContact O-C 3.57Å; R116-T132 VanDerWaalsContact O-CA 3.27Å; R116-T132 WeakPolarHBondContact O-CA 3.31Å; R116-L133 PolarHBondContact O-N 3.46Å; R116-I135 HydrophobicContact CB-CD1 3.83Å; R116-I135 HydrophobicContact CG-CD1 4.14Å
117	F	89.5	Confident	81.1	Confident	5 Å²	5	58.8 Å²	58.8	2%	0.022	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.8	179.2	-55.4	-67.5	0	0	0	111.3	Y62 L65 N66 R115 I130 R131 T132 I135 L140	Y62-F117 HydrophobicContact CD1-CB 3.97Å; Y62-F117 HydrophobicContact CE1-CB 3.76Å; L65-F117 HydrophobicContact CB-CD1 4.14Å; L65-F117 HydrophobicContact CB-CD2 4.1Å; L65-F117 HydrophobicContact CB-CE1 3.93Å; L65-F117 HydrophobicContact CB-CE2 3.89Å; L65-F117 HydrophobicContact CB-CG 4.23Å; L65-F117 HydrophobicContact CB-CZ 3.8Å; L65-F117 HydrophobicContact CD1-CD1 3.97Å; L65-F117 HydrophobicContact CD1-CE1 4.24Å; L65-F117 HydrophobicContact CD1-CG 4.44Å; L65-F117 HydrophobicContact CD2-CE1 4.3Å; L65-F117 HydrophobicContact CG-CE1 4.39Å; L65-F117 VanDerWaalsContact O-CE2 3.29Å; L65-F117 WeakPolarHBondContact O-CE2 3.48Å; L65-F117 WeakPolarHBondContact O-CZ 3.49Å; N66-F117 VanDerWaalsContact OD1-CD2 3.3Å; N66-F117 WeakPolarHBondContact OD1-CD2 3.45Å; R115-F117 PolarHBondContact O-N 2.82Å; F117-I130 HydrophobicContact CB-CG2 3.8Å; F117-I130 HydrophobicContact CD1-CG2 4.17Å; F117-I130 HydrophobicContact CG-CG2 4.43Å; F117-R131 WeakPolarHBondContact CA-O 3.41Å; F117-T132 HydrophobicContact CD1-CG2 3.94Å; F117-T132 HydrophobicContact CE1-CG2 3.91Å; F117-I135 HydrophobicContact CE1-CD1 3.96Å; F117-I135 HydrophobicContact CE2-CD1 4.26Å; F117-I135 HydrophobicContact CZ-CD1 3.58Å; F117-L140 HydrophobicContact CE1-CD2 3.72Å; F117-L140 HydrophobicContact CZ-CD2 3.69Å
118	Q	89.5	Confident	81.9	Confident	11 Å²	11	52.2 Å²	52.2	5%	0.051	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	119.1	177.9	-74.3	164.7	56.1	0	0	111	R113 R115 I130 R131	R113-Q118 VanDerWaalsContact C-NE2 3.34Å; R113-Q118 PolarHBondContact O-NE2 3.01Å; R113-Q118 PolarHBondContact O-OE1 2.83Å; R115-Q118 PolarHBondContact O-NE2 2.84Å; Q118-I130 CarbonylContact O-C 3.52Å; Q118-I130 WeakPolarHBondContact O-CA 3.49Å; Q118-R131 HydrophobicContact CB-CB 4.34Å; Q118-R131 PolarHBondContact N-O 2.89Å; Q118-R131 PolarHBondContact O-N 3.44Å
119	S	90.8	Very high	82.9	Confident	49 Å²	49	50.1 Å²	50.1	34%	0.343	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.5	135.3	174.4	-173.3	0	0	0	0	111.5	Y62	Y62-S119 WeakPolarHBondContact OH-CB 3.34Å; Y62-S119 PolarHBondContact OH-N 3.32Å
120	V	91.5	Very high	84.2	Confident	6 Å²	6	47.5 Å²	47.5	4%	0.036	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	135.5	-176.7	171.7	0	0	0	0	107.5	R37 Q38 L39 L43 S122 F129 R131	R37-V120 HydrophobicContact CB-CG2 4.38Å; R37-V120 CarbonylContact O-C 3.48Å; R37-V120 WeakPolarHBondContact O-CA 3.44Å; R37-V120 VanDerWaalsContact O-CG1 3.24Å; R37-V120 WeakPolarHBondContact O-CG1 3.4Å; Q38-V120 VanDerWaalsContact C-CG1 3.42Å; Q38-V120 WeakPolarHBondContact O-CG1 3.41Å; L39-V120 HydrophobicContact CB-CG1 4.33Å; L43-V120 HydrophobicContact CD1-CG1 4.44Å; V120-S122 PolarHBondContact O-N 3.29Å; V120-F129 HydrophobicContact CB-CB 4.31Å; V120-F129 HydrophobicContact CB-CD1 3.99Å; V120-F129 HydrophobicContact CG1-CD1 4.21Å; V120-F129 HydrophobicContact CG2-CD1 4.4Å; V120-F129 PolarHBondContact N-O 2.86Å; V120-F129 PolarHBondContact O-N 2.92Å; V120-F129 VanDerWaalsContact O-O 3.08Å; V120-R131 HydrophobicContact CG2-CB 4.11Å
121	E	89.9	Confident	85.4	Confident	101 Å²	101	48 Å²	48	47%	0.472	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	114.4	176.9	-74.7	-173.7	-175.5	0	0	110.4	P36 R37 L39 G123	P36-E121 HydrophobicContact CB-CG 3.91Å; P36-E121 WeakPolarHBondContact CB-OE1 3.36Å; P36-E121 VanDerWaalsContact CG-CD 3.49Å; P36-E121 VanDerWaalsContact CG-OE1 3.32Å; P36-E121 WeakPolarHBondContact CG-OE1 3.09Å; P36-E121 WeakPolarHBondContact CG-OE2 3.47Å; R37-E121 PolarHBondContact O-N 3.05Å; L39-E121 PolarHBondContact N-O 2.98Å; E121-G123 PolarHBondContact O-N 3.44Å
122	S	89.7	Confident	86.5	Confident	3 Å²	3	44.5 Å²	44.5	2%	0.021	22%	0.22	C	C	.	.			trans	-63.2	-28.3	174.8	76.6	0	0	0	0	112.3	V120 A124 V127 I244	V120-S122 PolarHBondContact O-N 3.29Å; S122-A124 VanDerWaalsContact C-N 3.33Å; S122-A124 PolarHBondContact OG-N 2.99Å; S122-A124 PolarHBondContact OG-O 3.07Å; S122-V127 WeakPolarHBondContact CB-O 3.26Å; S122-V127 PolarHBondContact OG-O 2.93Å; S122-I244 WeakPolarHBondContact O-CG2 3.15Å
123	G	88.5	Confident	87.7	Confident	21 Å²	21	42.2 Å²	42.2	22%	0.216	21%	0.207	C	C	.	.	S	Bend	trans	76.6	16.8	-170.4	0	0	0	0	0	114.3	E121 N204 K245	E121-G123 PolarHBondContact O-N 3.44Å; G123-N204 PolarHBondContact O-ND2 2.94Å; G123-K245 VanDerWaalsContact O-CE 3.31Å; G123-K245 WeakPolarHBondContact O-CE 3.35Å
124	A	90.3	Very high	88.7	Confident	6 Å²	6	40.1 Å²	40.1	5%	0.05	22%	0.224	C	C	.	.	S	Bend	trans	-128.5	135.5	168.1	0	0	0	0	0	111.5	S122 V127 R203 I244	S122-A124 VanDerWaalsContact C-N 3.33Å; S122-A124 PolarHBondContact OG-N 2.99Å; S122-A124 PolarHBondContact OG-O 3.07Å; A124-V127 HydrophobicContact CB-CB 4.44Å; A124-V127 HydrophobicContact CB-CG2 4.42Å; A124-V127 WeakPolarHBondContact O-CB 3.1Å; A124-V127 PolarHBondContact O-N 2.88Å; A124-V127 VanDerWaalsContact O-N 3.16Å; A124-R203 HydrophobicContact CB-CB 4Å; A124-I244 HydrophobicContact CB-CG2 3.8Å
125	N	90.8	Very high	89.6	Confident	132 Å²	132	34.9 Å²	34.9	71%	0.706	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-58.5	137.8	-176.5	-55.3	-2.6	0	0	0	111.6	V127	N125-V127 PolarHBondContact O-N 2.8Å
126	N	91.9	Very high	90.2	Very high	56 Å²	56	34.9 Å²	34.9	30%	0.299	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	63.3	21.4	-177.5	-50.7	-68.3	0	0	0	114.5	T49 C50 M52 E54	T49-N126 WeakPolarHBondContact CA-O 3.39Å; C50-N126 PolarHBondContact N-O 3.34Å; C50-N126 WeakPolarHBondContact O-CB 3.25Å; C50-N126 PolarHBondContact SG-O 3.43Å; M52-N126 WeakPolarHBondContact CA-OD1 3.49Å; M52-N126 PolarHBondContact N-OD1 2.79Å; E54-N126 WeakPolarHBondContact OE1-CA 3.45Å; E54-N126 PolarHBondContact OE1-N 2.96Å
127	V	93.3	Very high	90.7	Very high	6 Å²	6	33.7 Å²	33.7	4%	0.036	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	118.2	179	-172.5	0	0	0	0	110.5	L47 I48 T49 S122 A124 N125 I244	L47-V127 HydrophobicContact CD1-CG1 3.45Å; L47-V127 VanDerWaalsContact CD1-CG1 3.45Å; L47-V127 HydrophobicContact CG-CG1 4Å; I48-V127 CarbonylContact O-C 3.43Å; I48-V127 WeakPolarHBondContact O-CA 3.12Å; T49-V127 HydrophobicContact CG2-CG2 4.28Å; S122-V127 WeakPolarHBondContact CB-O 3.26Å; S122-V127 PolarHBondContact OG-O 2.93Å; A124-V127 HydrophobicContact CB-CB 4.44Å; A124-V127 HydrophobicContact CB-CG2 4.42Å; A124-V127 WeakPolarHBondContact O-CB 3.1Å; A124-V127 PolarHBondContact O-N 2.88Å; A124-V127 VanDerWaalsContact O-N 3.16Å; N125-V127 PolarHBondContact O-N 2.8Å; V127-I244 HydrophobicContact CG1-CD1 3.99Å
128	V	93.9	Very high	90.8	Very high	8 Å²	8	34.9 Å²	34.9	5%	0.048	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	137.2	177.9	177.8	0	0	0	0	108.3	I48 E54 V58 I130	I48-V128 PolarHBondContact N-O 3.48Å; I48-V128 PolarHBondContact O-N 2.66Å; E54-V128 HydrophobicContact CB-CG2 4.36Å; V58-V128 HydrophobicContact CG2-CG1 3.72Å; V58-V128 HydrophobicContact CG2-CG2 4.09Å; V128-I130 HydrophobicContact CG1-CG1 4.1Å
129	F	95.3	Very high	91	Very high	0 Å²	0	39.6 Å²	39.6	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	129.3	168.4	-172.5	-99.7	0	0	0	109	L39 L43 L47 V120 R131 I165 T168	L39-F129 HydrophobicContact CD1-CB 4.37Å; L39-F129 HydrophobicContact CD1-CD1 3.88Å; L39-F129 HydrophobicContact CD1-CD2 4.03Å; L39-F129 HydrophobicContact CD1-CE1 4.1Å; L39-F129 HydrophobicContact CD1-CE2 4.23Å; L39-F129 HydrophobicContact CD1-CG 3.83Å; L39-F129 HydrophobicContact CD1-CZ 4.26Å; L43-F129 HydrophobicContact CB-CE1 3.98Å; L43-F129 HydrophobicContact CB-CZ 4.27Å; L43-F129 HydrophobicContact CD1-CE1 4.34Å; L47-F129 HydrophobicContact CB-CD2 4.29Å; L47-F129 HydrophobicContact CD1-CB 4.34Å; L47-F129 HydrophobicContact CD1-CD2 3.95Å; V120-F129 HydrophobicContact CB-CB 4.31Å; V120-F129 HydrophobicContact CB-CD1 3.99Å; V120-F129 HydrophobicContact CG1-CD1 4.21Å; V120-F129 HydrophobicContact CG2-CD1 4.4Å; V120-F129 PolarHBondContact N-O 2.86Å; V120-F129 PolarHBondContact O-N 2.92Å; V120-F129 VanDerWaalsContact O-O 3.08Å; F129-R131 HydrophobicContact CE1-CB 4.14Å; F129-I165 HydrophobicContact CE2-CB 3.91Å; F129-I165 HydrophobicContact CE2-CG1 4.03Å; F129-I165 HydrophobicContact CE2-CG2 4.08Å; F129-I165 HydrophobicContact CZ-CG2 4.5Å; F129-T168 HydrophobicContact CZ-CG2 4.48Å
130	I	94.4	Very high	91.2	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	106	173	-59.7	-174.5	0	0	0	107.3	G45 I46 I48 A61 L65 F117 Q118 V128	G45-I130 CarbonylContact C-O 3.57Å; G45-I130 WeakPolarHBondContact CA-O 3.09Å; I46-I130 PolarHBondContact N-O 3.45Å; I46-I130 PolarHBondContact O-N 3.15Å; I48-I130 HydrophobicContact CD1-CD1 3.7Å; I48-I130 HydrophobicContact CD1-CG1 4.24Å; A61-I130 HydrophobicContact CB-CD1 3.46Å; A61-I130 VanDerWaalsContact CB-CD1 3.46Å; L65-I130 HydrophobicContact CD1-CB 4.4Å; L65-I130 HydrophobicContact CD1-CD1 3.8Å; L65-I130 HydrophobicContact CD1-CG2 4.01Å; F117-I130 HydrophobicContact CB-CG2 3.8Å; F117-I130 HydrophobicContact CD1-CG2 4.17Å; F117-I130 HydrophobicContact CG-CG2 4.43Å; Q118-I130 CarbonylContact O-C 3.52Å; Q118-I130 WeakPolarHBondContact O-CA 3.49Å; V128-I130 HydrophobicContact CG1-CG1 4.1Å
131	R	92.9	Very high	91.3	Very high	71 Å²	71	37 Å²	37	27%	0.268	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	135.4	174.4	-178.7	-168.6	-174.4	-147.6	7.3	109.5	L43 Q44 F117 Q118 V120 F129	L43-R131 HydrophobicContact CD2-CG 4.4Å; Q44-R131 VanDerWaalsContact O-CA 3.32Å; Q44-R131 WeakPolarHBondContact O-CA 3.49Å; F117-R131 WeakPolarHBondContact CA-O 3.41Å; Q118-R131 HydrophobicContact CB-CB 4.34Å; Q118-R131 PolarHBondContact N-O 2.89Å; Q118-R131 PolarHBondContact O-N 3.44Å; V120-R131 HydrophobicContact CG2-CB 4.11Å; F129-R131 HydrophobicContact CE1-CB 4.14Å
132	T	91.3	Very high	91.6	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	142.6	171.2	54.1	0	0	0	0	111.6	Q44 I46 R116 F117 I135	Q44-T132 PolarHBondContact O-N 3.17Å; I46-T132 HydrophobicContact CD1-CG2 4.44Å; I46-T132 HydrophobicContact CG1-CG2 4.42Å; R116-T132 CarbonylContact O-C 3.57Å; R116-T132 VanDerWaalsContact O-CA 3.27Å; R116-T132 WeakPolarHBondContact O-CA 3.31Å; F117-T132 HydrophobicContact CD1-CG2 3.94Å; F117-T132 HydrophobicContact CE1-CG2 3.91Å; T132-I135 HydrophobicContact CG2-CG2 4.45Å; T132-I135 PolarHBondContact OG1-O 3.25Å
133	L	87.9	Confident	91.8	Very high	44 Å²	44	37 Å²	37	23%	0.23	21%	0.205	C	C	.	.	S	Bend	trans	-120.9	129	169.9	-71.7	-175.3	0	0	0	109.7	R113 R116 I135	R113-L133 WeakPolarHBondContact O-CD1 3.41Å; R116-L133 PolarHBondContact O-N 3.46Å; L133-I135 PolarHBondContact O-N 3.13Å; L133-I135 VanDerWaalsContact O-N 3.09Å
134	G	82.6	Confident	92.1	Very high	80 Å²	80	36 Å²	36	83%	0.825	20%	0.195	S	C	*	.	S	Bend	trans	66.3	5.7	178.6	0	0	0	0	0	115.7
135	I	87.3	Confident	92.3	Very high	7 Å²	7	35.7 Å²	35.7	4%	0.036	19%	0.192	C	C	.	.	S	Bend	trans	-122.3	133	-177.7	-68.7	179.4	0	0	0	109.7	Y73 R116 F117 T132 L133 P137 L140	Y73-I135 HydrophobicContact CD2-CD1 4.17Å; Y73-I135 HydrophobicContact CD2-CG1 4.14Å; Y73-I135 HydrophobicContact CD2-CG2 4.49Å; Y73-I135 HydrophobicContact CE2-CB 4.44Å; Y73-I135 HydrophobicContact CE2-CD1 4.4Å; Y73-I135 HydrophobicContact CE2-CG1 4.15Å; Y73-I135 HydrophobicContact CE2-CG2 3.73Å; Y73-I135 HydrophobicContact CG-CG1 4.36Å; R116-I135 HydrophobicContact CB-CD1 3.83Å; R116-I135 HydrophobicContact CG-CD1 4.14Å; F117-I135 HydrophobicContact CE1-CD1 3.96Å; F117-I135 HydrophobicContact CE2-CD1 4.26Å; F117-I135 HydrophobicContact CZ-CD1 3.58Å; T132-I135 HydrophobicContact CG2-CG2 4.45Å; T132-I135 PolarHBondContact OG1-O 3.25Å; L133-I135 PolarHBondContact O-N 3.13Å; L133-I135 VanDerWaalsContact O-N 3.09Å; I135-P137 WeakPolarHBondContact O-CD 3.43Å; I135-L140 HydrophobicContact CG2-CB 4.36Å; I135-L140 HydrophobicContact CG2-CD2 4.03Å
136	E	90.3	Very high	92.5	Very high	96 Å²	96	32.7 Å²	32.7	45%	0.449	17%	0.174	S	C	.	.			trans	-76.5	113.3	168.2	-69.1	177.8	-125.7	0	0	110.4	E138 K139 L140	E136-E138 PolarHBondContact O-N 3.44Å; E136-K139 HydrophobicContact CB-CB 4.46Å; E136-K139 HydrophobicContact CB-CD 4.24Å; E136-K139 HydrophobicContact CB-CG 4.44Å; E136-K139 IonicContact OE1-NZ 2.77Å; E136-K139 PolarHBondContact OE1-NZ 2.84Å; E136-K139 VanDerWaalsContact OE2-CD 3.23Å; E136-K139 WeakPolarHBondContact OE2-CD 3.29Å; E136-K139 WeakPolarHBondContact OE2-CE 3.36Å; E136-K139 IonicContact OE2-NZ 2.78Å; E136-K139 PolarHBondContact OE2-NZ 3.42Å; E136-L140 PolarHBondContact O-N 2.93Å
137	P	92.6	Very high	92.6	Very high	5 Å²	5	32 Å²	32	3%	0.032	17%	0.17	C	C	.	.	H	α-helix	trans	-70.2	-30.8	-174.6	27.1	-33.4	0	0	0	112.7	G45 I46 I135 L140 V141 P164 I165	G45-P137 WeakPolarHBondContact O-CB 3.34Å; G45-P137 WeakPolarHBondContact O-CG 3.23Å; I46-P137 HydrophobicContact CG1-CB 3.85Å; I135-P137 WeakPolarHBondContact O-CD 3.43Å; P137-L140 PolarHBondContact O-N 3.31Å; P137-V141 WeakPolarHBondContact O-CG2 3.25Å; P137-V141 PolarHBondContact O-N 2.89Å; P137-P164 HydrophobicContact CB-CB 3.99Å; P137-P164 HydrophobicContact CG-CB 4.49Å; P137-P164 WeakPolarHBondContact O-CB 3.49Å; P137-I165 WeakPolarHBondContact CG-O 3.34Å
138	E	93.1	Very high	92.6	Very high	31 Å²	31	31.7 Å²	31.7	15%	0.145	17%	0.168	C	C	.	.	H	α-helix	trans	-58.4	-52.6	178.6	-172	-171	166.9	0	0	111.1	E136 L140 H142 P164 W187	E136-E138 PolarHBondContact O-N 3.44Å; E138-L140 PolarHBondContact O-N 3.24Å; E138-H142 WeakPolarHBondContact O-CB 3.44Å; E138-H142 PolarHBondContact O-N 2.82Å; E138-P164 HydrophobicContact CB-CB 4.49Å; E138-W187 WeakPolarHBondContact OE2-CZ2 3.24Å
139	K	93.4	Very high	92.6	Very high	110 Å²	110	35.4 Å²	35.4	48%	0.478	18%	0.182	S	C	.	.	H	α-helix	trans	-60.1	-45.9	179.3	-69.9	177.5	179.9	157.3	0	111.7	M72 E136 H143	M72-K139 HydrophobicContact CE-CB 4.48Å; E136-K139 HydrophobicContact CB-CB 4.46Å; E136-K139 HydrophobicContact CB-CD 4.24Å; E136-K139 HydrophobicContact CB-CG 4.44Å; E136-K139 IonicContact OE1-NZ 2.77Å; E136-K139 PolarHBondContact OE1-NZ 2.84Å; E136-K139 VanDerWaalsContact OE2-CD 3.23Å; E136-K139 WeakPolarHBondContact OE2-CD 3.29Å; E136-K139 WeakPolarHBondContact OE2-CE 3.36Å; E136-K139 IonicContact OE2-NZ 2.78Å; E136-K139 PolarHBondContact OE2-NZ 3.42Å; K139-H143 WeakPolarHBondContact O-CB 3.4Å; K139-H143 PolarHBondContact O-N 2.93Å
140	L	93.6	Very high	92.5	Very high	0 Å²	0	42 Å²	42	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.7	-50.9	-179	-178.6	59.9	0	0	0	112	I46 L65 M72 F117 I135 E136 P137 E138 H142 H143 I144	I46-L140 HydrophobicContact CD1-CD2 4.24Å; L65-L140 HydrophobicContact CD2-CD2 3.83Å; L65-L140 HydrophobicContact CD2-CG 4.37Å; M72-L140 HydrophobicContact CE-CB 4.16Å; M72-L140 HydrophobicContact CE-CD1 4.01Å; F117-L140 HydrophobicContact CE1-CD2 3.72Å; F117-L140 HydrophobicContact CZ-CD2 3.69Å; I135-L140 HydrophobicContact CG2-CB 4.36Å; I135-L140 HydrophobicContact CG2-CD2 4.03Å; E136-L140 PolarHBondContact O-N 2.93Å; P137-L140 PolarHBondContact O-N 3.31Å; E138-L140 PolarHBondContact O-N 3.24Å; L140-H142 VanDerWaalsContact C-N 3.34Å; L140-H142 PolarHBondContact O-N 2.98Å; L140-H143 PolarHBondContact O-N 3.29Å; L140-I144 HydrophobicContact CD1-CD1 4.23Å; L140-I144 HydrophobicContact CG-CD1 4.1Å; L140-I144 VanDerWaalsContact O-CG1 3.28Å; L140-I144 WeakPolarHBondContact O-CG1 3.18Å; L140-I144 PolarHBondContact O-N 3.37Å
141	V	95.2	Very high	92.4	Very high	1 Å²	1	44.6 Å²	44.6	1%	0.006	23%	0.227	C	C	.	.	H	α-helix	trans	-67.8	-36	-179.5	-179.1	0	0	0	0	111.6	I46 P137 I144 L145 M162 P164 Y262	I46-V141 HydrophobicContact CB-CG2 4.47Å; I46-V141 HydrophobicContact CD1-CG2 3.61Å; I46-V141 HydrophobicContact CG1-CG2 3.79Å; I46-V141 HydrophobicContact CG2-CG2 3.84Å; P137-V141 WeakPolarHBondContact O-CG2 3.25Å; P137-V141 PolarHBondContact O-N 2.89Å; V141-I144 PolarHBondContact O-N 2.84Å; V141-L145 HydrophobicContact CG1-CD1 3.94Å; V141-L145 HydrophobicContact CG1-CG 4.45Å; V141-L145 WeakPolarHBondContact O-CB 3.11Å; V141-L145 WeakPolarHBondContact O-CG 3.3Å; V141-L145 PolarHBondContact O-N 2.92Å; V141-M162 HydrophobicContact CG1-CB 4.11Å; V141-P164 HydrophobicContact CB-CB 4.24Å; V141-P164 HydrophobicContact CB-CG 4.35Å; V141-P164 HydrophobicContact CG2-CB 4.11Å; V141-Y262 HydrophobicContact CG1-CD1 3.87Å; V141-Y262 HydrophobicContact CG1-CE1 3.9Å
142	H	95	Very high	92.3	Very high	42 Å²	42	45 Å²	45	19%	0.194	23%	0.23	C	C	.	.	H	α-helix	trans	-61.9	-44.8	173.8	-175.9	98.3	0	0	0	111.4	E138 L140 L145 Q146 D255 F259	E138-H142 WeakPolarHBondContact O-CB 3.44Å; E138-H142 PolarHBondContact O-N 2.82Å; L140-H142 VanDerWaalsContact C-N 3.34Å; L140-H142 PolarHBondContact O-N 2.98Å; H142-L145 PolarHBondContact O-N 3.19Å; H142-Q146 VanDerWaalsContact O-CB 3.27Å; H142-Q146 WeakPolarHBondContact O-CB 3.38Å; H142-Q146 PolarHBondContact O-N 2.88Å; H142-D255 IonicContact CE1-OD2 2.72Å; H142-D255 PolarHBondContact CE1-OD2 2.93Å; H142-F259 AromaticContact CE1-CE2 3.7Å; H142-F259 AromaticContact ND1-CE2 3.67Å
143	H	94.9	Very high	92.2	Very high	60 Å²	60	51.9 Å²	51.9	28%	0.278	26%	0.26	S	S	.	.	H	α-helix	trans	-62.2	-46	177.8	-176.6	58.1	0	0	0	112.4	Y68 M72 K139 L140 L145 Q146 D147	Y68-H143 AromaticContact CD1-CD2 3.63Å; Y68-H143 AromaticContact CD1-NE2 3.89Å; M72-H143 HydrophobicContact CE-CB 4.32Å; M72-H143 HydrophobicContact SD-CB 3.78Å; K139-H143 WeakPolarHBondContact O-CB 3.4Å; K139-H143 PolarHBondContact O-N 2.93Å; L140-H143 PolarHBondContact O-N 3.29Å; H143-L145 PolarHBondContact O-N 2.97Å; H143-Q146 PolarHBondContact O-N 2.78Å; H143-D147 PolarHBondContact O-N 2.79Å
144	I	95.1	Very high	92.2	Very high	1 Å²	1	56.5 Å²	56.5	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-54.5	-51	174.4	-66.4	166.4	0	0	0	110.9	L64 L65 Y68 L140 V141 Q146 D147 M148 M162	L64-I144 HydrophobicContact CD2-CG2 4.05Å; L65-I144 HydrophobicContact CD2-CD1 3.98Å; Y68-I144 HydrophobicContact CD1-CG1 4.09Å; Y68-I144 HydrophobicContact CD2-CB 4.48Å; Y68-I144 HydrophobicContact CD2-CD1 4.21Å; Y68-I144 HydrophobicContact CD2-CG1 3.54Å; Y68-I144 HydrophobicContact CE1-CG1 4.4Å; Y68-I144 HydrophobicContact CE2-CB 4.34Å; Y68-I144 HydrophobicContact CE2-CG1 3.86Å; Y68-I144 HydrophobicContact CE2-CG2 4.09Å; Y68-I144 HydrophobicContact CG-CD1 4.44Å; Y68-I144 HydrophobicContact CG-CG1 3.6Å; L140-I144 HydrophobicContact CD1-CD1 4.23Å; L140-I144 HydrophobicContact CG-CD1 4.1Å; L140-I144 VanDerWaalsContact O-CG1 3.28Å; L140-I144 WeakPolarHBondContact O-CG1 3.18Å; L140-I144 PolarHBondContact O-N 3.37Å; V141-I144 PolarHBondContact O-N 2.84Å; I144-Q146 PolarHBondContact O-N 2.91Å; I144-D147 PolarHBondContact O-N 3.17Å; I144-M148 HydrophobicContact CG2-SD 4.14Å; I144-M148 WeakPolarHBondContact O-CB 3.39Å; I144-M148 WeakPolarHBondContact O-CG 3.37Å; I144-M148 PolarHBondContact O-N 3.08Å; I144-M162 HydrophobicContact CD1-CE 4.29Å
145	L	94.4	Very high	92.4	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	26%	0.255	C	S	.	.	H	α-helix	trans	-67.1	-35.7	-179.3	-74.5	169.4	0	0	0	112.4	V141 H142 H143 Y149 F259 Y262 L264 V267	V141-L145 HydrophobicContact CG1-CD1 3.94Å; V141-L145 HydrophobicContact CG1-CG 4.45Å; V141-L145 WeakPolarHBondContact O-CB 3.11Å; V141-L145 WeakPolarHBondContact O-CG 3.3Å; V141-L145 PolarHBondContact O-N 2.92Å; H142-L145 PolarHBondContact O-N 3.19Å; H143-L145 PolarHBondContact O-N 2.97Å; L145-Y149 WeakPolarHBondContact O-CB 3.45Å; L145-Y149 PolarHBondContact O-N 3.11Å; L145-F259 HydrophobicContact CB-CB 4.4Å; L145-F259 HydrophobicContact CB-CD1 4.06Å; L145-F259 HydrophobicContact CB-CD2 3.96Å; L145-F259 HydrophobicContact CB-CE1 4.31Å; L145-F259 HydrophobicContact CB-CE2 4.19Å; L145-F259 HydrophobicContact CB-CG 3.89Å; L145-F259 HydrophobicContact CB-CZ 4.38Å; L145-F259 HydrophobicContact CD1-CB 4.14Å; L145-F259 HydrophobicContact CD1-CD2 4.13Å; L145-F259 HydrophobicContact CD1-CG 4.28Å; L145-Y262 HydrophobicContact CD1-CD1 3.24Å; L145-Y262 HydrophobicContact CD1-CD2 3.91Å; L145-Y262 HydrophobicContact CD1-CE1 3.49Å; L145-Y262 VanDerWaalsContact CD1-CE1 3.49Å; L145-Y262 HydrophobicContact CD1-CE2 4.13Å; L145-Y262 HydrophobicContact CD1-CG 3.44Å; L145-Y262 VanDerWaalsContact CD1-CG 3.44Å; L145-L264 HydrophobicContact CD2-CD1 3.9Å; L145-L264 HydrophobicContact CD2-CG 4.16Å; L145-V267 HydrophobicContact CD2-CB 4.46Å; L145-V267 HydrophobicContact CD2-CG1 4.17Å
146	Q	94.7	Very high	92.5	Very high	69 Å²	69	56.3 Å²	56.3	32%	0.322	26%	0.255	S	S	.	.	H	α-helix	trans	-66.8	-42.3	177	-163.5	-166.2	44.2	0	0	111.6	H142 H143 I144 Y149 K150 F259	H142-Q146 VanDerWaalsContact O-CB 3.27Å; H142-Q146 WeakPolarHBondContact O-CB 3.38Å; H142-Q146 PolarHBondContact O-N 2.88Å; H143-Q146 PolarHBondContact O-N 2.78Å; I144-Q146 PolarHBondContact O-N 2.91Å; Q146-Y149 PolarHBondContact O-N 2.8Å; Q146-K150 VanDerWaalsContact CD-NZ 3.3Å; Q146-K150 HydrophobicContact CG-CD 4.39Å; Q146-K150 VanDerWaalsContact O-CG 3.3Å; Q146-K150 WeakPolarHBondContact O-CG 3.29Å; Q146-K150 PolarHBondContact O-N 2.78Å; Q146-F259 HydrophobicContact CB-CZ 4.14Å
147	D	94	Very high	92.4	Very high	40 Å²	40	62.3 Å²	62.3	21%	0.214	27%	0.274	C	S	.	.	H	α-helix	trans	-65.7	-47.5	174.7	177.3	50.2	0	0	0	111.7	Y68 H143 I144 Y149 K150 T151 K155	Y68-D147 HydrophobicContact CE1-CB 3.88Å; Y68-D147 PolarHBondContact OH-OD2 2.92Å; H143-D147 PolarHBondContact O-N 2.79Å; I144-D147 PolarHBondContact O-N 3.17Å; D147-Y149 VanDerWaalsContact C-N 3.25Å; D147-Y149 PolarHBondContact O-N 2.97Å; D147-K150 PolarHBondContact O-N 3.3Å; D147-K150 VanDerWaalsContact O-N 3.11Å; D147-T151 WeakPolarHBondContact O-CB 3.43Å; D147-T151 WeakPolarHBondContact O-CG2 3.41Å; D147-T151 PolarHBondContact O-N 2.91Å; D147-T151 PolarHBondContact O-OG1 3.24Å; D147-T151 WeakPolarHBondContact OD1-CG2 3.05Å; D147-K155 IonicContact OD2-NZ 2.79Å
148	M	93.3	Very high	92.4	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-60.9	-34.8	174.4	-69.7	-175	68	0	0	112.4	I144 K152 L264 V267 V268	I144-M148 HydrophobicContact CG2-SD 4.14Å; I144-M148 WeakPolarHBondContact O-CB 3.39Å; I144-M148 WeakPolarHBondContact O-CG 3.37Å; I144-M148 PolarHBondContact O-N 3.08Å; M148-K152 WeakPolarHBondContact O-CA 3.07Å; M148-K152 PolarHBondContact O-N 2.96Å; M148-L264 HydrophobicContact CE-CB 3.94Å; M148-L264 HydrophobicContact CE-CD2 4.37Å; M148-L264 HydrophobicContact CE-CG 4.19Å; M148-L264 VanDerWaalsContact CE-O 3.23Å; M148-L264 WeakPolarHBondContact CE-O 3.23Å; M148-L264 HydrophobicContact SD-CB 4.26Å; M148-L264 HydrophobicContact SD-CD2 3.79Å; M148-L264 HydrophobicContact SD-CG 3.82Å; M148-V267 HydrophobicContact CB-CG1 3.99Å; M148-V267 HydrophobicContact CE-CG1 4.33Å; M148-V268 HydrophobicContact CB-CG1 4.33Å; M148-V268 HydrophobicContact CE-CG1 3.91Å
149	Y	92.9	Very high	92.4	Very high	87 Å²	87	61.7 Å²	61.7	34%	0.341	27%	0.272	S	S	.	.	H	α-helix	trans	-69.1	-36.7	174.4	-176.2	-90.2	0	0	0	112.4	L145 Q146 D147 K152 L258 F259 V267	L145-Y149 WeakPolarHBondContact O-CB 3.45Å; L145-Y149 PolarHBondContact O-N 3.11Å; Q146-Y149 PolarHBondContact O-N 2.8Å; D147-Y149 VanDerWaalsContact C-N 3.25Å; D147-Y149 PolarHBondContact O-N 2.97Å; Y149-K152 VanDerWaalsContact O-CD 3.23Å; Y149-K152 WeakPolarHBondContact O-CD 3.49Å; Y149-K152 WeakPolarHBondContact O-CE 3.27Å; Y149-K152 PolarHBondContact O-NZ 3.06Å; Y149-L258 HydrophobicContact CE1-CD1 4.44Å; Y149-L258 HydrophobicContact CE2-CD1 3.83Å; Y149-L258 HydrophobicContact CE2-CG 4.16Å; Y149-L258 WeakPolarHBondContact OH-CD1 3.49Å; Y149-F259 HydrophobicContact CD2-CD1 4.42Å; Y149-F259 HydrophobicContact CG-CD1 4.46Å; Y149-F259 HydrophobicContact CG-CE1 4.29Å; Y149-V267 HydrophobicContact CD2-CG2 3.89Å; Y149-V267 HydrophobicContact CG-CG2 4.37Å
150	K	93.5	Very high	92.4	Very high	137 Å²	137	58.8 Å²	58.8	60%	0.596	26%	0.262	S	S	*	.	H	α-helix	trans	-75.9	-50.7	177.8	-73.4	167.4	-179.8	169.8	0	111.9	Q146 D147	Q146-K150 VanDerWaalsContact CD-NZ 3.3Å; Q146-K150 HydrophobicContact CG-CD 4.39Å; Q146-K150 VanDerWaalsContact O-CG 3.3Å; Q146-K150 WeakPolarHBondContact O-CG 3.29Å; Q146-K150 PolarHBondContact O-N 2.78Å; D147-K150 PolarHBondContact O-N 3.3Å; D147-K150 VanDerWaalsContact O-N 3.11Å
151	T	92.6	Very high	92.4	Very high	56 Å²	56	61.4 Å²	61.4	34%	0.344	27%	0.272	S	S	.	.	H	α-helix	trans	-75.5	-23	-175.4	60.1	0	0	0	0	113.9	D147 K153	D147-T151 WeakPolarHBondContact O-CB 3.43Å; D147-T151 WeakPolarHBondContact O-CG2 3.41Å; D147-T151 PolarHBondContact O-N 2.91Å; D147-T151 PolarHBondContact O-OG1 3.24Å; D147-T151 WeakPolarHBondContact OD1-CG2 3.05Å; T151-K153 PolarHBondContact O-N 2.91Å; T151-K153 VanDerWaalsContact O-N 3.07Å; T151-K153 PolarHBondContact OG1-N 2.96Å
152	K	90.7	Very high	92.4	Very high	78 Å²	78	61.4 Å²	61.4	34%	0.339	27%	0.271	S	S	.	.			trans	54.4	18.5	-170.4	-54.9	-56.1	-172.5	-161.5	0	114.1	M148 Y149	M148-K152 WeakPolarHBondContact O-CA 3.07Å; M148-K152 PolarHBondContact O-N 2.96Å; Y149-K152 VanDerWaalsContact O-CD 3.23Å; Y149-K152 WeakPolarHBondContact O-CD 3.49Å; Y149-K152 WeakPolarHBondContact O-CE 3.27Å; Y149-K152 PolarHBondContact O-NZ 3.06Å
153	K	89.9	Confident	92.4	Very high	146 Å²	146	59.6 Å²	59.6	64%	0.635	26%	0.263	S	S	*	.			trans	-89.6	134.4	178.2	-71	176.2	-177.8	177.2	0	110.6	T151 K155 V268	T151-K153 PolarHBondContact O-N 2.91Å; T151-K153 VanDerWaalsContact O-N 3.07Å; T151-K153 PolarHBondContact OG1-N 2.96Å; K153-K155 PolarHBondContact O-N 3.37Å; K153-V268 WeakPolarHBondContact O-CG1 3.16Å
154	K	88.2	Confident	92.5	Very high	141 Å²	141	56.7 Å²	56.7	61%	0.613	25%	0.25	S	C	*	.			trans	-80.4	110.7	170.9	-69.8	-179.8	-179.1	-178	0	109.3	V268	K154-V268 HydrophobicContact CD-CG2 4.41Å; K154-V268 HydrophobicContact CG-CB 4.46Å; K154-V268 HydrophobicContact CG-CG1 4.37Å; K154-V268 HydrophobicContact CG-CG2 3.73Å
155	K	86.9	Confident	92.5	Very high	75 Å²	75	56.7 Å²	56.7	33%	0.326	25%	0.25	S	C	.	.			trans	-84.5	-26.4	170.7	-66.5	-162.9	178.7	-171.7	0	113.2	L64 E67 Y68 D147 K153	L64-K155 HydrophobicContact CD1-CB 3.66Å; L64-K155 HydrophobicContact CD1-CD 3.84Å; L64-K155 HydrophobicContact CD1-CG 4.39Å; E67-K155 IonicContact OE1-NZ 3.62Å; E67-K155 PolarHBondContact OE1-NZ 2.99Å; E67-K155 IonicContact OE2-NZ 3.36Å; Y68-K155 HydrophobicContact CE2-CD 3.85Å; Y68-K155 WeakPolarHBondContact OH-CD 2.93Å; Y68-K155 WeakPolarHBondContact OH-CE 3.23Å; Y68-K155 PolarHBondContact OH-NZ 3.2Å; D147-K155 IonicContact OD2-NZ 2.79Å; K153-K155 PolarHBondContact O-N 3.37Å
156	T	89	Confident	92.5	Very high	7 Å²	7	57.8 Å²	57.8	4%	0.043	26%	0.257	C	S	.	.			trans	-115.2	157.3	-176.2	63.1	0	0	0	0	112.6	L64 I159 L264	L64-T156 HydrophobicContact CD1-CG2 4.26Å; L64-T156 HydrophobicContact CD2-CG2 3.79Å; T156-I159 HydrophobicContact CG2-CB 4.11Å; T156-I159 HydrophobicContact CG2-CD1 3.85Å; T156-I159 HydrophobicContact CG2-CG1 4.39Å; T156-L264 HydrophobicContact CG2-CD2 3.94Å
157	R	87.8	Confident	92.3	Very high	222 Å²	222	54.7 Å²	54.7	84%	0.838	24%	0.244	S	C	*	.	S	Bend	trans	-121	-38.3	174.5	-59.1	-179.7	178.1	-170	0.5	112.4	E60 Q265	E60-R157 WeakPolarHBondContact OE1-CB 3.49Å; E60-R157 PolarHBondContact OE2-N 2.85Å; R157-Q265 PolarHBondContact O-NE2 2.93Å
158	V	91.8	Very high	92.4	Very high	23 Å²	23	53 Å²	53	14%	0.139	24%	0.235	C	C	.	.	S	Bend	trans	-92.3	-32	-176	178	0	0	0	0	111.9	C50 N51 K56 C57 E60	C50-V158 WeakPolarHBondContact CA-O 3.46Å; C50-V158 HydrophobicContact CB-CG1 4.01Å; N51-V158 PolarHBondContact N-O 3.47Å; K56-V158 HydrophobicContact CB-CG2 4.12Å; C57-V158 HydrophobicContact CB-CG1 3.84Å; E60-V158 WeakPolarHBondContact OE1-CG2 3.4Å; E60-V158 PolarHBondContact OE1-N 3.1Å; E60-V158 PolarHBondContact OE2-N 3.43Å
159	I	93.3	Very high	92.5	Very high	0 Å²	0	53.6 Å²	53.6	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	127.8	178.4	-62.6	172.3	0	0	0	110.5	I48 E60 A61 T156 M162 L264 Q265	I48-I159 HydrophobicContact CG2-CB 4.37Å; I48-I159 HydrophobicContact CG2-CD1 4.36Å; I48-I159 HydrophobicContact CG2-CG1 3.97Å; I48-I159 HydrophobicContact CG2-CG2 3.72Å; E60-I159 HydrophobicContact CB-CD1 4.14Å; E60-I159 HydrophobicContact CB-CG1 4.5Å; A61-I159 HydrophobicContact CB-CD1 3.86Å; T156-I159 HydrophobicContact CG2-CB 4.11Å; T156-I159 HydrophobicContact CG2-CD1 3.85Å; T156-I159 HydrophobicContact CG2-CG1 4.39Å; I159-M162 HydrophobicContact CG2-CG 3.74Å; I159-M162 HydrophobicContact CG2-SD 4.19Å; I159-L264 HydrophobicContact CG2-CD1 4.47Å; I159-L264 HydrophobicContact CG2-CD2 4.06Å; I159-Q265 WeakPolarHBondContact O-CG 3.17Å; I159-Q265 PolarHBondContact O-NE2 3.05Å
160	L	92.9	Very high	92.5	Very high	50 Å²	50	54.7 Å²	54.7	26%	0.262	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	-50.1	174.9	-62.1	167.7	0	0	0	111.6	T49 C50 N51 N263 L264 Q265	T49-L160 WeakPolarHBondContact O-CA 3.02Å; T49-L160 WeakPolarHBondContact O-CB 3.49Å; T49-L160 PolarHBondContact O-N 3.31Å; C50-L160 WeakPolarHBondContact O-CD1 3.32Å; N51-L160 HydrophobicContact CB-CD1 4.38Å; L160-N263 CarbonylContact O-C 3.59Å; L160-N263 VanDerWaalsContact O-CA 3.25Å; L160-N263 WeakPolarHBondContact O-CA 3.29Å; L160-N263 PolarHBondContact O-OD1 3.29Å; L160-L264 PolarHBondContact O-N 3.44Å; L160-Q265 HydrophobicContact CD2-CG 4.48Å
161	R	94.4	Very high	92.5	Very high	55 Å²	55	48.6 Å²	48.6	21%	0.208	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	140.8	-175.3	-174.5	-171.7	-71.9	97.2	1.1	109.1	I48 T49 L163 K261 Y262	I48-R161 WeakPolarHBondContact CA-O 3.23Å; T49-R161 PolarHBondContact N-O 3.31Å; T49-R161 PolarHBondContact O-N 2.86Å; T49-R161 WeakPolarHBondContact OG1-CB 3.48Å; R161-L163 HydrophobicContact CG-CD2 4.37Å; R161-L163 HydrophobicContact CG-CG 4.04Å; R161-K261 WeakPolarHBondContact CD-O 3.3Å; R161-K261 PolarHBondContact NE-O 3.11Å; R161-Y262 WeakPolarHBondContact CA-O 3.49Å; R161-Y262 VanDerWaalsContact CG-O 3.23Å; R161-Y262 WeakPolarHBondContact CG-O 3.41Å
162	M	94.7	Very high	92.6	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	121.2	167.7	-64.7	173.4	66.9	0	0	107.3	I46 I48 L64 L65 V141 I144 I159 Y262 L264	I46-M162 HydrophobicContact CG2-CB 4.06Å; I46-M162 HydrophobicContact CG2-CE 3.95Å; I48-M162 HydrophobicContact CD1-CE 4.09Å; I48-M162 HydrophobicContact CD1-CG 4.26Å; I48-M162 HydrophobicContact CG1-CG 4.07Å; I48-M162 HydrophobicContact CG2-CG 4.15Å; L64-M162 HydrophobicContact CD2-CE 4.25Å; L64-M162 HydrophobicContact CD2-SD 3.68Å; L65-M162 HydrophobicContact CD2-CE 3.68Å; L65-M162 HydrophobicContact CG-CE 4.18Å; V141-M162 HydrophobicContact CG1-CB 4.11Å; I144-M162 HydrophobicContact CD1-CE 4.29Å; I159-M162 HydrophobicContact CG2-CG 3.74Å; I159-M162 HydrophobicContact CG2-SD 4.19Å; M162-Y262 PolarHBondContact N-O 3.05Å; M162-Y262 WeakPolarHBondContact O-CB 3.47Å; M162-Y262 WeakPolarHBondContact O-CD1 3.27Å; M162-L264 HydrophobicContact CB-CD1 3.83Å; M162-L264 HydrophobicContact CG-CD1 3.71Å; M162-L264 HydrophobicContact CG-CD2 4.23Å; M162-L264 HydrophobicContact SD-CD1 3.99Å; M162-L264 HydrophobicContact SD-CD2 3.54Å; M162-L264 VanDerWaalsContact SD-CD2 3.54Å; M162-L264 HydrophobicContact SD-CG 4.43Å
163	L	96.1	Very high	92.7	Very high	4 Å²	4	49.5 Å²	49.5	2%	0.021	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.6	173.7	-69	167.8	0	0	0	107.8	I46 L47 R161 V240 Y256 Y262	I46-L163 CarbonylContact C-O 3.59Å; I46-L163 WeakPolarHBondContact CA-O 3.43Å; L47-L163 HydrophobicContact CB-CB 4.44Å; L47-L163 PolarHBondContact N-O 3.29Å; L47-L163 PolarHBondContact O-N 2.72Å; R161-L163 HydrophobicContact CG-CD2 4.37Å; R161-L163 HydrophobicContact CG-CG 4.04Å; L163-V240 HydrophobicContact CD1-CG1 4.14Å; L163-V240 HydrophobicContact CD2-CG1 4.41Å; L163-V240 HydrophobicContact CD2-CG2 4.5Å; L163-Y256 HydrophobicContact CD2-CE2 4.32Å; L163-Y262 HydrophobicContact CD2-CD1 4.4Å; L163-Y262 HydrophobicContact CD2-CG 4.26Å
164	P	96.1	Very high	92.9	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.2	141.6	167.3	32.3	-34.2	0	0	0	108.4	P137 E138 V141 S251 V253 Y262	P137-P164 HydrophobicContact CB-CB 3.99Å; P137-P164 HydrophobicContact CG-CB 4.49Å; P137-P164 WeakPolarHBondContact O-CB 3.49Å; E138-P164 HydrophobicContact CB-CB 4.49Å; V141-P164 HydrophobicContact CB-CB 4.24Å; V141-P164 HydrophobicContact CB-CG 4.35Å; V141-P164 HydrophobicContact CG2-CB 4.11Å; P164-S251 WeakPolarHBondContact O-CB 3.46Å; P164-S251 PolarHBondContact O-OG 2.9Å; P164-V253 HydrophobicContact CG-CG1 3.41Å; P164-V253 VanDerWaalsContact CG-CG1 3.41Å; P164-Y262 HydrophobicContact CG-CE1 4.18Å
165	I	95.7	Very high	93.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	106.1	173.5	-61.7	-55.8	0	0	0	106.7	G45 L47 F129 P137 G167 T168 C249	G45-I165 PolarHBondContact N-O 3.41Å; G45-I165 PolarHBondContact O-N 2.63Å; G45-I165 VanDerWaalsContact O-O 3.08Å; L47-I165 HydrophobicContact CB-CD1 4.16Å; L47-I165 HydrophobicContact CB-CG1 3.64Å; L47-I165 HydrophobicContact CD2-CD1 4.21Å; L47-I165 HydrophobicContact CD2-CG1 4.39Å; F129-I165 HydrophobicContact CE2-CB 3.91Å; F129-I165 HydrophobicContact CE2-CG1 4.03Å; F129-I165 HydrophobicContact CE2-CG2 4.08Å; F129-I165 HydrophobicContact CZ-CG2 4.5Å; P137-I165 WeakPolarHBondContact CG-O 3.34Å; I165-G167 VanDerWaalsContact C-N 3.29Å; I165-G167 WeakPolarHBondContact CG2-O 3.33Å; I165-T168 HydrophobicContact CG2-CG2 3.91Å; I165-C249 HydrophobicContact CD1-CB 3.58Å; I165-C249 HydrophobicContact CG1-CB 3.97Å; I165-C249 HydrophobicContact CG2-CB 3.76Å
166	S	93.2	Very high	93.6	Very high	23 Å²	23	40.1 Å²	40.1	16%	0.161	19%	0.185	C	C	.	.	S	Bend	trans	-73.8	-25.6	-177	-49.1	0	0	0	0	111.5	Q44 F183 L250 S251	Q44-S166 WeakPolarHBondContact CB-O 3.2Å; S166-F183 VanDerWaalsContact CB-CE2 3.41Å; S166-L250 PolarHBondContact N-O 2.71Å; S166-L250 VanDerWaalsContact N-O 3.08Å; S166-S251 PolarHBondContact OG-OG 3.06Å
167	G	92.3	Very high	93.8	Very high	5 Å²	5	42.2 Å²	42.2	5%	0.052	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171.5	165.6	164.5	0	0	0	0	0	114	L43 I165 Y179 L250	L43-G167 CarbonylContact O-C 3.44Å; L43-G167 WeakPolarHBondContact O-CA 3.38Å; I165-G167 VanDerWaalsContact C-N 3.29Å; I165-G167 WeakPolarHBondContact CG2-O 3.33Å; G167-Y179 WeakPolarHBondContact CA-OH 3.46Å; G167-L250 PolarHBondContact N-O 3.3Å; G167-L250 PolarHBondContact O-N 3.19Å
168	T	95	Very high	94.2	Very high	4 Å²	4	37.9 Å²	37.9	3%	0.025	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	143.1	177.3	61.4	0	0	0	0	112.1	L39 E40 P41 G42 L43 F129 I165 V247 C248 C249	L39-T168 HydrophobicContact CD1-CG2 4.16Å; E40-T168 PolarHBondContact O-OG1 3.43Å; P41-T168 WeakPolarHBondContact CA-OG1 3.26Å; G42-T168 PolarHBondContact N-O 3.34Å; G42-T168 PolarHBondContact N-OG1 3.41Å; L43-T168 PolarHBondContact N-OG1 3.27Å; L43-T168 WeakPolarHBondContact O-CG2 3.49Å; L43-T168 PolarHBondContact O-N 2.96Å; L43-T168 PolarHBondContact O-OG1 3.17Å; F129-T168 HydrophobicContact CZ-CG2 4.48Å; I165-T168 HydrophobicContact CG2-CG2 3.91Å; T168-V247 HydrophobicContact CG2-CG1 4.03Å; T168-C248 CarbonylContact C-O 3.55Å; T168-C248 VanDerWaalsContact CA-O 3.23Å; T168-C248 WeakPolarHBondContact CA-O 3.23Å; T168-C249 HydrophobicContact CG2-CB 4.3Å
169	C	94.8	Very high	94.3	Very high	12 Å²	12	40.3 Å²	40.3	8%	0.081	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	175.7	172.1	63.4	0	0	0	0	110.5	Y179 V247 C248	C169-Y179 HydrophobicContact CB-CD1 4.26Å; C169-Y179 HydrophobicContact CB-CD2 4.47Å; C169-Y179 HydrophobicContact CB-CG 4.01Å; C169-V247 WeakPolarHBondContact O-CA 3.37Å; C169-C248 PolarHBondContact N-O 3.23Å; C169-C248 PolarHBondContact O-N 3.16Å
170	K	94.6	Very high	94.3	Very high	111 Å²	111	40.3 Å²	40.3	48%	0.483	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71	145.8	173.6	-66.5	178.5	-178.5	174.4	0	109.9	P41 F172 D175	P41-K170 HydrophobicContact CB-CG 4.33Å; P41-K170 HydrophobicContact CG-CG 3.66Å; K170-F172 HydrophobicContact CB-CD2 3.82Å; K170-F172 HydrophobicContact CB-CE2 4.36Å; K170-F172 HydrophobicContact CD-CD2 4.25Å; K170-F172 HydrophobicContact CD-CE2 4.29Å; K170-F172 PolarHBondContact O-N 3.01Å; K170-D175 HydrophobicContact CB-CB 4.4Å
171	A	93.5	Very high	94.4	Very high	9 Å²	9	42.9 Å²	42.9	7%	0.074	20%	0.199	C	C	.	.	S	Bend	trans	-78	46.6	178.4	0	0	0	0	0	113.1	V208 I243 A246	A171-V208 HydrophobicContact CB-CG2 4.28Å; A171-V208 VanDerWaalsContact O-CG2 3.3Å; A171-V208 WeakPolarHBondContact O-CG2 3.31Å; A171-I243 HydrophobicContact CB-CD1 4.46Å; A171-I243 HydrophobicContact CB-CG2 3.88Å; A171-A246 WeakPolarHBondContact CB-O 3.45Å; A171-A246 PolarHBondContact N-O 3.07Å
172	F	93.9	Very high	94.3	Very high	125 Å²	125	45.3 Å²	45.3	55%	0.548	22%	0.22	S	C	.	.	S	Bend	trans	-109.9	143	169.3	-64	-64.8	0	0	0	109.1	K170 E174 D175 M176	K170-F172 HydrophobicContact CB-CD2 3.82Å; K170-F172 HydrophobicContact CB-CE2 4.36Å; K170-F172 HydrophobicContact CD-CD2 4.25Å; K170-F172 HydrophobicContact CD-CE2 4.29Å; K170-F172 PolarHBondContact O-N 3.01Å; F172-E174 VanDerWaalsContact C-N 3.29Å; F172-E174 PolarHBondContact O-N 3.48Å; F172-D175 HydrophobicContact CB-CB 4.34Å; F172-D175 PolarHBondContact O-N 3.39Å; F172-M176 WeakPolarHBondContact O-CB 3.28Å; F172-M176 WeakPolarHBondContact O-CG 3.48Å; F172-M176 PolarHBondContact O-N 2.94Å
173	L	93.3	Very high	94.3	Very high	28 Å²	28	46.3 Å²	46.3	15%	0.147	22%	0.224	C	C	.	.	H	α-helix	trans	-61.7	-39.5	-171.8	-172.4	65.8	0	0	0	112	M176 K177 E212 V213 E216	L173-M176 HydrophobicContact CD1-CE 4.25Å; L173-M176 PolarHBondContact O-N 2.89Å; L173-K177 HydrophobicContact CG-CD 4.28Å; L173-K177 WeakPolarHBondContact O-CB 3.26Å; L173-K177 VanDerWaalsContact O-CG 3.24Å; L173-K177 WeakPolarHBondContact O-CG 3.48Å; L173-K177 PolarHBondContact O-N 3.35Å; L173-E212 HydrophobicContact CD1-CG 4.34Å; L173-E212 HydrophobicContact CD2-CG 3.88Å; L173-E212 WeakPolarHBondContact CD2-OE1 3.29Å; L173-V213 HydrophobicContact CD1-CG2 4.01Å; L173-E216 HydrophobicContact CD1-CG 4.33Å
174	E	93.9	Very high	94.1	Very high	104 Å²	104	46.1 Å²	46.1	49%	0.486	22%	0.223	S	C	.	.	H	α-helix	trans	-69.6	-39.7	-178.6	-67	58.1	-128.1	0	0	111.7	F172 K178	F172-E174 VanDerWaalsContact C-N 3.29Å; F172-E174 PolarHBondContact O-N 3.48Å; E174-K178 WeakPolarHBondContact O-CD 3.31Å; E174-K178 VanDerWaalsContact O-CG 3.26Å; E174-K178 WeakPolarHBondContact O-CG 3.24Å; E174-K178 PolarHBondContact O-N 3.31Å; E174-K178 VanDerWaalsContact O-N 3.07Å
175	D	94	Very high	94	Very high	51 Å²	51	49.4 Å²	49.4	27%	0.273	24%	0.239	S	C	.	.	H	α-helix	trans	-71.3	-38.8	176.3	-73.1	-14.8	0	0	0	110.7	K170 F172 K178 Y179	K170-D175 HydrophobicContact CB-CB 4.4Å; F172-D175 HydrophobicContact CB-CB 4.34Å; F172-D175 PolarHBondContact O-N 3.39Å; D175-K178 IonicContact OD1-NZ 2.76Å; D175-Y179 VanDerWaalsContact O-CB 3.28Å; D175-Y179 WeakPolarHBondContact O-CB 3.43Å; D175-Y179 PolarHBondContact O-N 2.88Å
176	M	94.6	Very high	93.8	Very high	9 Å²	9	53.3 Å²	53.3	4%	0.044	26%	0.264	C	S	.	.	H	α-helix	trans	-63	-43.5	172.1	-71.3	-173.6	-63.4	0	0	111.8	F172 L173 Y179 A180 V208 V213 I243 C248	F172-M176 WeakPolarHBondContact O-CB 3.28Å; F172-M176 WeakPolarHBondContact O-CG 3.48Å; F172-M176 PolarHBondContact O-N 2.94Å; L173-M176 HydrophobicContact CD1-CE 4.25Å; L173-M176 PolarHBondContact O-N 2.89Å; M176-Y179 PolarHBondContact O-N 3.35Å; M176-A180 WeakPolarHBondContact O-CB 3.27Å; M176-A180 PolarHBondContact O-N 3.47Å; M176-V208 HydrophobicContact CE-CG1 3.95Å; M176-V213 HydrophobicContact CE-CG2 3.65Å; M176-I243 HydrophobicContact SD-CD1 4.08Å; M176-C248 HydrophobicContact CG-CB 3.98Å; M176-C248 HydrophobicContact SD-CB 3.74Å
177	K	94.6	Very high	93.6	Very high	52 Å²	52	54.3 Å²	54.3	23%	0.226	26%	0.264	C	S	.	.	H	α-helix	trans	-58.6	-53.3	175.9	-78.1	167.5	173.9	-177.7	0	112	L173 Y179 A180 Q181 E216 I220	L173-K177 HydrophobicContact CG-CD 4.28Å; L173-K177 WeakPolarHBondContact O-CB 3.26Å; L173-K177 VanDerWaalsContact O-CG 3.24Å; L173-K177 WeakPolarHBondContact O-CG 3.48Å; L173-K177 PolarHBondContact O-N 3.35Å; K177-Y179 VanDerWaalsContact C-N 3.35Å; K177-Y179 PolarHBondContact O-N 2.91Å; K177-A180 PolarHBondContact O-N 3.2Å; K177-Q181 WeakPolarHBondContact O-CG 3.46Å; K177-Q181 PolarHBondContact O-N 3.18Å; K177-E216 VanDerWaalsContact CE-CG 3.48Å; K177-E216 VanDerWaalsContact CE-OE1 3.27Å; K177-E216 WeakPolarHBondContact CE-OE1 3.37Å; K177-E216 WeakPolarHBondContact CE-OE2 3.4Å; K177-E216 IonicContact NZ-OE1 3.05Å; K177-E216 PolarHBondContact NZ-OE1 3.34Å; K177-E216 IonicContact NZ-OE2 3.56Å; K177-E216 PolarHBondContact NZ-OE2 2.86Å; K177-I220 HydrophobicContact CB-CD1 4.35Å; K177-I220 HydrophobicContact CG-CD1 4.3Å
178	K	94.9	Very high	93.6	Very high	131 Å²	131	54 Å²	54	57%	0.57	26%	0.261	S	S	*	.	H	α-helix	trans	-58.9	-45.4	178.9	-69.3	164.7	-170.3	167.1	0	111.8	E174 D175	E174-K178 WeakPolarHBondContact O-CD 3.31Å; E174-K178 VanDerWaalsContact O-CG 3.26Å; E174-K178 WeakPolarHBondContact O-CG 3.24Å; E174-K178 PolarHBondContact O-N 3.31Å; E174-K178 VanDerWaalsContact O-N 3.07Å; D175-K178 IonicContact OD1-NZ 2.76Å
179	Y	94.6	Very high	93.4	Very high	73 Å²	73	58 Å²	58	29%	0.286	28%	0.279	S	S	.	.	H	α-helix	trans	-66.5	-44.1	179.2	-173.4	-102.5	0	0	0	111.6	G167 C169 D175 M176 K177 Q181 T182 F183 L250	G167-Y179 WeakPolarHBondContact CA-OH 3.46Å; C169-Y179 HydrophobicContact CB-CD1 4.26Å; C169-Y179 HydrophobicContact CB-CD2 4.47Å; C169-Y179 HydrophobicContact CB-CG 4.01Å; D175-Y179 VanDerWaalsContact O-CB 3.28Å; D175-Y179 WeakPolarHBondContact O-CB 3.43Å; D175-Y179 PolarHBondContact O-N 2.88Å; M176-Y179 PolarHBondContact O-N 3.35Å; K177-Y179 VanDerWaalsContact C-N 3.35Å; K177-Y179 PolarHBondContact O-N 2.91Å; Y179-Q181 PolarHBondContact O-N 2.92Å; Y179-T182 PolarHBondContact O-N 3.09Å; Y179-F183 HydrophobicContact CD1-CB 4.2Å; Y179-F183 HydrophobicContact CE1-CB 3.94Å; Y179-F183 HydrophobicContact CE1-CD2 4.19Å; Y179-F183 AromaticContact CE1-CG 3.98Å; Y179-F183 HydrophobicContact CE1-CG 3.98Å; Y179-F183 WeakPolarHBondContact O-CB 3.5Å; Y179-F183 PolarHBondContact O-N 2.91Å; Y179-L250 HydrophobicContact CD1-CD2 3.81Å; Y179-L250 HydrophobicContact CE1-CB 4.24Å; Y179-L250 HydrophobicContact CE1-CD2 3.95Å
180	A	94.2	Very high	92.9	Very high	0 Å²	0	62.1 Å²	62.1	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-34	-179.5	0	0	0	0	0	113.4	M176 K177 F183 L184 L217 I220 L250	M176-A180 WeakPolarHBondContact O-CB 3.27Å; M176-A180 PolarHBondContact O-N 3.47Å; K177-A180 PolarHBondContact O-N 3.2Å; A180-F183 PolarHBondContact O-N 3.19Å; A180-L184 HydrophobicContact CB-CD1 4Å; A180-L184 WeakPolarHBondContact O-CB 3.21Å; A180-L184 WeakPolarHBondContact O-CD1 3.38Å; A180-L184 WeakPolarHBondContact O-CG 3.3Å; A180-L184 PolarHBondContact O-N 2.98Å; A180-L217 HydrophobicContact CB-CD2 3.29Å; A180-I220 HydrophobicContact CB-CD1 4.15Å; A180-L250 HydrophobicContact CB-CD2 4.4Å
181	Q	93.4	Very high	92.4	Very high	104 Å²	104	62.5 Å²	62.5	49%	0.486	32%	0.317	S	S	.	.	H	α-helix	trans	-56.5	-57.5	174.9	-77.7	170.4	-19.8	0	0	111	K177 Y179 E185 I220	K177-Q181 WeakPolarHBondContact O-CG 3.46Å; K177-Q181 PolarHBondContact O-N 3.18Å; Y179-Q181 PolarHBondContact O-N 2.92Å; Q181-E185 WeakPolarHBondContact O-CG 3.48Å; Q181-I220 HydrophobicContact CG-CD1 4.19Å; Q181-I220 HydrophobicContact CG-CG1 4.28Å; Q181-I220 HydrophobicContact CG-CG2 4.03Å
182	T	93.5	Very high	92	Very high	106 Å²	106	65.8 Å²	65.8	65%	0.65	33%	0.333	S	S	*	.	H	α-helix	trans	-68.1	-38.9	178.3	-46.3	0	0	0	0	112.3	Y179	Y179-T182 PolarHBondContact O-N 3.09Å
183	F	93.3	Very high	91.7	Very high	21 Å²	21	64.8 Å²	64.8	9%	0.092	33%	0.329	C	S	.	.	H	α-helix	trans	-68.1	-37.6	-176.7	178.4	-104.5	0	0	0	112.6	S166 Y179 A180 P186 W187 L250 V252	S166-F183 VanDerWaalsContact CB-CE2 3.41Å; Y179-F183 HydrophobicContact CD1-CB 4.2Å; Y179-F183 HydrophobicContact CE1-CB 3.94Å; Y179-F183 HydrophobicContact CE1-CD2 4.19Å; Y179-F183 AromaticContact CE1-CG 3.98Å; Y179-F183 HydrophobicContact CE1-CG 3.98Å; Y179-F183 WeakPolarHBondContact O-CB 3.5Å; Y179-F183 PolarHBondContact O-N 2.91Å; A180-F183 PolarHBondContact O-N 3.19Å; F183-P186 VanDerWaalsContact O-CD 3.31Å; F183-P186 WeakPolarHBondContact O-CD 3.41Å; F183-W187 HydrophobicContact CD2-CZ3 4.17Å; F183-W187 HydrophobicContact CE1-CZ3 4.34Å; F183-W187 AromaticContact CE2-CH2 3.79Å; F183-W187 HydrophobicContact CE2-CH2 3.79Å; F183-W187 AromaticContact CE2-CZ3 3.74Å; F183-W187 HydrophobicContact CE2-CZ3 3.74Å; F183-W187 AromaticContact CZ-CH2 3.87Å; F183-W187 HydrophobicContact CZ-CH2 3.87Å; F183-W187 AromaticContact CZ-CZ3 3.83Å; F183-W187 HydrophobicContact CZ-CZ3 3.83Å; F183-W187 WeakPolarHBondContact O-CZ3 3.39Å; F183-L250 HydrophobicContact CB-CD2 4.36Å; F183-L250 HydrophobicContact CD1-CD2 3.35Å; F183-L250 HydrophobicContact CD1-CG 3.75Å; F183-L250 HydrophobicContact CE1-CD2 3.92Å; F183-L250 HydrophobicContact CE1-CG 3.75Å; F183-L250 HydrophobicContact CG-CD2 4.02Å; F183-V252 HydrophobicContact CE1-CG2 3.75Å; F183-V252 HydrophobicContact CZ-CG2 4.18Å
184	L	93.4	Very high	91.5	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-83.3	-11.5	-174.2	-65.2	169.7	0	0	0	113.3	A180 W187 F188 I220 V221 L224 V239 V252	A180-L184 HydrophobicContact CB-CD1 4Å; A180-L184 WeakPolarHBondContact O-CB 3.21Å; A180-L184 WeakPolarHBondContact O-CD1 3.38Å; A180-L184 WeakPolarHBondContact O-CG 3.3Å; A180-L184 PolarHBondContact O-N 2.98Å; L184-W187 PolarHBondContact O-N 2.82Å; L184-F188 HydrophobicContact CB-CD2 4.07Å; L184-F188 HydrophobicContact CD2-CD2 4.02Å; L184-F188 HydrophobicContact CD2-CE2 3.97Å; L184-F188 WeakPolarHBondContact O-CB 3.16Å; L184-F188 PolarHBondContact O-N 2.67Å; L184-I220 HydrophobicContact CD1-CG2 4.3Å; L184-V221 HydrophobicContact CD1-CG2 3.78Å; L184-L224 HydrophobicContact CB-CD1 3.81Å; L184-V239 HydrophobicContact CD2-CG1 4.3Å; L184-V239 HydrophobicContact CD2-CG2 4.11Å; L184-V252 HydrophobicContact CD2-CG2 3.93Å
185	E	92.4	Very high	91.5	Very high	70 Å²	70	60.7 Å²	60.7	33%	0.327	31%	0.314	S	S	.	.	H	α-helix	trans	-54.1	-49.3	-178.2	-55.4	-155.9	151.8	0	0	114.5	Q181 W187 F188 K189 L224	Q181-E185 WeakPolarHBondContact O-CG 3.48Å; E185-W187 PolarHBondContact O-N 2.68Å; E185-W187 VanDerWaalsContact O-N 3.09Å; E185-F188 PolarHBondContact O-N 2.81Å; E185-K189 HydrophobicContact CB-CB 4.16Å; E185-K189 HydrophobicContact CB-CD 3.83Å; E185-K189 HydrophobicContact CG-CD 3.98Å; E185-K189 WeakPolarHBondContact O-CB 3.49Å; E185-K189 PolarHBondContact O-N 2.86Å; E185-K189 IonicContact OE1-NZ 2.66Å; E185-K189 PolarHBondContact OE1-NZ 3.37Å; E185-K189 WeakPolarHBondContact OE2-CD 3.5Å; E185-K189 IonicContact OE2-NZ 2.71Å; E185-K189 PolarHBondContact OE2-NZ 2.81Å; E185-L224 HydrophobicContact CG-CD2 4.12Å
186	P	91.9	Very high	91.7	Very high	81 Å²	81	58.3 Å²	58.3	53%	0.526	30%	0.301	S	S	.	.	H	α-helix	trans	-60.5	-26.8	-174.9	-23.7	35.3	0	0	0	113.8	F183 N192	F183-P186 VanDerWaalsContact O-CD 3.31Å; F183-P186 WeakPolarHBondContact O-CD 3.41Å; P186-N192 PolarHBondContact O-ND2 3.46Å
187	W	90.3	Very high	91.7	Very high	44 Å²	44	58.8 Å²	58.8	17%	0.167	30%	0.303	C	S	.	.	H	α-helix	trans	-95.4	-32.7	-177.8	-66.7	-90	0	0	0	113.3	E138 F183 L184 E185 Y237 V252	E138-W187 WeakPolarHBondContact OE2-CZ2 3.24Å; F183-W187 HydrophobicContact CD2-CZ3 4.17Å; F183-W187 HydrophobicContact CE1-CZ3 4.34Å; F183-W187 AromaticContact CE2-CH2 3.79Å; F183-W187 HydrophobicContact CE2-CH2 3.79Å; F183-W187 AromaticContact CE2-CZ3 3.74Å; F183-W187 HydrophobicContact CE2-CZ3 3.74Å; F183-W187 AromaticContact CZ-CH2 3.87Å; F183-W187 HydrophobicContact CZ-CH2 3.87Å; F183-W187 AromaticContact CZ-CZ3 3.83Å; F183-W187 HydrophobicContact CZ-CZ3 3.83Å; F183-W187 WeakPolarHBondContact O-CZ3 3.39Å; L184-W187 PolarHBondContact O-N 2.82Å; E185-W187 PolarHBondContact O-N 2.68Å; E185-W187 VanDerWaalsContact O-N 3.09Å; W187-Y237 AromaticContact CD1-CD1 3.9Å; W187-Y237 AromaticContact CD1-CE1 3.73Å; W187-V252 HydrophobicContact CD2-CB 3.96Å; W187-V252 HydrophobicContact CD2-CG1 4.36Å; W187-V252 HydrophobicContact CD2-CG2 3.74Å; W187-V252 HydrophobicContact CE3-CG2 3.94Å; W187-V252 HydrophobicContact CG-CB 4.1Å; W187-V252 HydrophobicContact CG-CG1 3.95Å; W187-V252 HydrophobicContact CG-CG2 4.02Å; W187-V252 HydrophobicContact CZ2-CB 4.33Å; W187-V252 HydrophobicContact CZ3-CG2 4.46Å
188	F	91.9	Very high	91.8	Very high	0 Å²	0	57.3 Å²	57.3	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-125.4	-5.2	-164	-67	-68.2	0	0	0	115.9	L184 E185 F196 V221 L224 N225 N228 Y237 V239 V252	L184-F188 HydrophobicContact CB-CD2 4.07Å; L184-F188 HydrophobicContact CD2-CD2 4.02Å; L184-F188 HydrophobicContact CD2-CE2 3.97Å; L184-F188 WeakPolarHBondContact O-CB 3.16Å; L184-F188 PolarHBondContact O-N 2.67Å; E185-F188 PolarHBondContact O-N 2.81Å; F188-F196 HydrophobicContact CE1-CB 3.75Å; F188-F196 HydrophobicContact CE1-CD1 4.27Å; F188-F196 HydrophobicContact CE1-CG 4.12Å; F188-F196 HydrophobicContact CZ-CB 3.79Å; F188-F196 HydrophobicContact CZ-CG 4.31Å; F188-V221 HydrophobicContact CB-CG1 4.13Å; F188-V221 HydrophobicContact CD1-CG1 3.61Å; F188-V221 HydrophobicContact CD2-CG1 4.35Å; F188-V221 HydrophobicContact CD2-CG2 4.26Å; F188-V221 HydrophobicContact CE1-CG1 4.06Å; F188-V221 HydrophobicContact CE2-CG2 4.49Å; F188-V221 HydrophobicContact CG-CG1 3.77Å; F188-V221 HydrophobicContact CG-CG2 4.44Å; F188-L224 HydrophobicContact CB-CD1 4.29Å; F188-N225 WeakPolarHBondContact O-CB 3.43Å; F188-N228 PolarHBondContact O-ND2 3.01Å; F188-Y237 HydrophobicContact CE1-CD2 4.17Å; F188-Y237 HydrophobicContact CE1-CG 4.35Å; F188-Y237 HydrophobicContact CZ-CD2 4.44Å; F188-Y237 HydrophobicContact CZ-CG 4.15Å; F188-V239 HydrophobicContact CE2-CG2 3.96Å; F188-V239 HydrophobicContact CZ-CG2 4.18Å; F188-V252 HydrophobicContact CE2-CG1 4.44Å; F188-V252 HydrophobicContact CE2-CG2 4.38Å
189	K	90.6	Very high	91.9	Very high	88 Å²	88	52.7 Å²	52.7	38%	0.383	28%	0.28	S	S	.	.	S	Bend	trans	-88.5	139.5	177	-168.5	171.4	-179.2	169.7	0	110.7	E185 N192	E185-K189 HydrophobicContact CB-CB 4.16Å; E185-K189 HydrophobicContact CB-CD 3.83Å; E185-K189 HydrophobicContact CG-CD 3.98Å; E185-K189 WeakPolarHBondContact O-CB 3.49Å; E185-K189 PolarHBondContact O-N 2.86Å; E185-K189 IonicContact OE1-NZ 2.66Å; E185-K189 PolarHBondContact OE1-NZ 3.37Å; E185-K189 WeakPolarHBondContact OE2-CD 3.5Å; E185-K189 IonicContact OE2-NZ 2.71Å; E185-K189 PolarHBondContact OE2-NZ 2.81Å; K189-N192 CarbonylContact C-O 3.52Å; K189-N192 WeakPolarHBondContact O-CA 3.21Å; K189-N192 WeakPolarHBondContact O-CB 3.37Å; K189-N192 PolarHBondContact O-N 3.18Å
190	T	83.4	Confident	92	Very high	98 Å²	98	49.9 Å²	49.9	60%	0.601	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.7	131.7	175.5	-51.7	0	0	0	0	111.4
191	P	84	Confident	92	Very high	118 Å²	118	53.9 Å²	53.9	77%	0.766	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	cis	-82.6	-5	12.5	35	-38.2	0	0	0	115.5
192	N	85.9	Confident	92.1	Very high	79 Å²	79	50.8 Å²	50.8	42%	0.422	28%	0.276	S	S	.	.			trans	-73.4	140	-179.4	-64.6	-22.2	0	0	0	110.6	P186 K189 N225	P186-N192 PolarHBondContact O-ND2 3.46Å; K189-N192 CarbonylContact C-O 3.52Å; K189-N192 WeakPolarHBondContact O-CA 3.21Å; K189-N192 WeakPolarHBondContact O-CB 3.37Å; K189-N192 PolarHBondContact O-N 3.18Å; N192-N225 PolarHBondContact O-ND2 3.04Å
193	K	88	Confident	92.1	Very high	104 Å²	104	47.5 Å²	47.5	45%	0.452	25%	0.252	S	S	.	.			trans	-147.5	153.4	174.1	62.4	-173.8	170.7	-167.4	0	110	E227 N228	K193-E227 HydrophobicContact CB-CB 4.19Å; K193-E227 HydrophobicContact CD-CB 3.83Å; K193-E227 VanDerWaalsContact CD-CD 3.48Å; K193-E227 HydrophobicContact CD-CG 4.3Å; K193-E227 WeakPolarHBondContact CD-OE1 3.26Å; K193-E227 WeakPolarHBondContact CD-OE2 3.46Å; K193-E227 IonicContact NZ-OE1 2.64Å; K193-E227 PolarHBondContact NZ-OE1 2.81Å; K193-E227 IonicContact NZ-OE2 2.63Å; K193-E227 PolarHBondContact NZ-OE2 3.42Å; K193-N228 WeakPolarHBondContact CA-OD1 3.37Å
194	G	89	Confident	92	Very high	8 Å²	8	51.6 Å²	51.6	8%	0.082	28%	0.275	C	S	.	.			trans	-170.3	171	173.9	0	0	0	0	0	114.6	N228 K229	G194-N228 PolarHBondContact N-OD1 2.87Å; G194-N228 VanDerWaalsContact N-OD1 3.15Å; G194-K229 PolarHBondContact O-N 2.84Å
195	T	94.7	Very high	91.9	Very high	38 Å²	38	53 Å²	53	23%	0.233	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	138.9	168.1	56.4	0	0	0	0	110.3	K229 D231 P235 Q236 Y237	T195-K229 CarbonylContact C-O 3.51Å; T195-K229 VanDerWaalsContact CA-O 3.23Å; T195-K229 WeakPolarHBondContact CA-O 3.46Å; T195-K229 HydrophobicContact CG2-CB 4.49Å; T195-D231 HydrophobicContact CG2-CB 4.38Å; T195-P235 WeakPolarHBondContact OG1-CA 3.44Å; T195-Q236 PolarHBondContact O-N 2.99Å; T195-Q236 PolarHBondContact OG1-N 2.87Å; T195-Y237 PolarHBondContact O-N 3.19Å
196	F	96.4	Very high	91.6	Very high	1 Å²	1	55.1 Å²	55.1	0%	0.004	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	154.1	-176.4	74.1	-78.5	0	0	0	115.4	F188 I198 A218 V221 N228 K229 V230 D231 Y237	F188-F196 HydrophobicContact CE1-CB 3.75Å; F188-F196 HydrophobicContact CE1-CD1 4.27Å; F188-F196 HydrophobicContact CE1-CG 4.12Å; F188-F196 HydrophobicContact CZ-CB 3.79Å; F188-F196 HydrophobicContact CZ-CG 4.31Å; F196-I198 HydrophobicContact CD2-CG1 4.2Å; F196-I198 HydrophobicContact CE2-CD1 4.12Å; F196-I198 HydrophobicContact CE2-CG1 4.19Å; F196-A218 HydrophobicContact CE2-CB 4.36Å; F196-A218 HydrophobicContact CZ-CB 4.44Å; F196-V221 HydrophobicContact CD1-CG1 3.68Å; F196-V221 HydrophobicContact CD2-CG1 4.25Å; F196-V221 HydrophobicContact CD2-CG2 4.47Å; F196-V221 HydrophobicContact CE1-CB 4.07Å; F196-V221 HydrophobicContact CE1-CG1 3.33Å; F196-V221 HydrophobicContact CE2-CB 3.96Å; F196-V221 HydrophobicContact CE2-CG1 3.94Å; F196-V221 HydrophobicContact CE2-CG2 4.09Å; F196-V221 HydrophobicContact CG-CG1 4.14Å; F196-V221 HydrophobicContact CZ-CB 3.65Å; F196-V221 HydrophobicContact CZ-CG1 3.47Å; F196-V221 VanDerWaalsContact CZ-CG1 3.47Å; F196-V221 HydrophobicContact CZ-CG2 4.31Å; F196-N228 HydrophobicContact CD1-CB 4.38Å; F196-N228 HydrophobicContact CE1-CB 4.11Å; F196-K229 VanDerWaalsContact CD1-O 3.27Å; F196-K229 WeakPolarHBondContact CD1-O 3.18Å; F196-K229 PolarHBondContact N-O 2.79Å; F196-V230 HydrophobicContact CE1-CG2 3.93Å; F196-V230 HydrophobicContact CE2-CG2 4.03Å; F196-V230 HydrophobicContact CZ-CG2 3.57Å; F196-V230 CarbonylContact O-C 3.39Å; F196-V230 VanDerWaalsContact O-CA 3.29Å; F196-V230 WeakPolarHBondContact O-CA 3.11Å; F196-D231 PolarHBondContact O-N 2.94Å; F196-Y237 WeakPolarHBondContact CA-O 3.37Å; F196-Y237 WeakPolarHBondContact CB-O 3.47Å
197	Q	95.9	Very high	91.4	Very high	19 Å²	19	59.5 Å²	59.5	9%	0.089	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.1	159.1	162.5	73.2	-174.3	-37.4	0	0	110.6	V199 D231 L232 P235 Y237 T238 V239	Q197-V199 HydrophobicContact CG-CG2 4.16Å; Q197-D231 WeakPolarHBondContact CB-O 3.28Å; Q197-L232 HydrophobicContact CB-CD2 3.95Å; Q197-P235 HydrophobicContact CB-CB 4.44Å; Q197-P235 HydrophobicContact CB-CG 3.93Å; Q197-P235 HydrophobicContact CG-CB 4.48Å; Q197-P235 HydrophobicContact CG-CG 3.64Å; Q197-Y237 PolarHBondContact N-O 2.8Å; Q197-Y237 VanDerWaalsContact N-O 3.14Å; Q197-T238 HydrophobicContact CG-CG2 3.74Å; Q197-T238 WeakPolarHBondContact CG-OG1 3.41Å; Q197-T238 PolarHBondContact NE2-OG1 3.1Å; Q197-V239 PolarHBondContact O-N 2.74Å
198	I	96.9	Very high	91.5	Very high	20 Å²	20	58.6 Å²	58.6	10%	0.103	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	119	172.7	-57.5	168.2	0	0	0	108.7	F196 I214 L217 A218 V239 V241	F196-I198 HydrophobicContact CD2-CG1 4.2Å; F196-I198 HydrophobicContact CE2-CD1 4.12Å; F196-I198 HydrophobicContact CE2-CG1 4.19Å; I198-I214 HydrophobicContact CD1-CG2 4.4Å; I198-I214 WeakPolarHBondContact CD1-O 3.3Å; I198-I214 HydrophobicContact CG2-CG1 4.08Å; I198-L217 HydrophobicContact CD1-CB 3.79Å; I198-L217 HydrophobicContact CG2-CD1 4.44Å; I198-A218 HydrophobicContact CD1-CB 3.89Å; I198-V239 CarbonylContact C-O 3.52Å; I198-V239 WeakPolarHBondContact CA-O 3.4Å; I198-V239 HydrophobicContact CG1-CB 4.25Å; I198-V241 HydrophobicContact CG2-CG2 3.94Å
199	V	95.9	Very high	91.5	Very high	34 Å²	34	62.2 Å²	62.2	21%	0.206	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	97.6	177.1	178.1	0	0	0	0	108.8	Q197 T238 V239 V241 Y256	Q197-V199 HydrophobicContact CG-CG2 4.16Å; V199-T238 HydrophobicContact CB-CG2 4.31Å; V199-T238 HydrophobicContact CG2-CG2 3.62Å; V199-V239 PolarHBondContact N-O 3.36Å; V199-V241 PolarHBondContact O-N 3.16Å; V199-Y256 HydrophobicContact CG2-CE1 3.9Å
200	Y	96.5	Very high	91.7	Very high	15 Å²	15	63.2 Å²	63.2	6%	0.059	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	137.5	173.6	-177.8	-97.6	0	0	0	112.4	V208 R210 V213 V241 I243	Y200-V208 HydrophobicContact CE2-CG1 4.48Å; Y200-V208 PolarHBondContact OH-O 2.76Å; Y200-R210 HydrophobicContact CD1-CB 3.64Å; Y200-R210 HydrophobicContact CD1-CG 3.53Å; Y200-R210 HydrophobicContact CE1-CB 3.64Å; Y200-R210 HydrophobicContact CE1-CG 4.1Å; Y200-R210 HydrophobicContact CG-CB 4.42Å; Y200-R210 HydrophobicContact CG-CG 4.09Å; Y200-R210 PolarHBondContact O-NH1 2.86Å; Y200-V213 HydrophobicContact CD2-CB 4.38Å; Y200-V213 HydrophobicContact CD2-CG1 4.04Å; Y200-V213 HydrophobicContact CE2-CB 4.28Å; Y200-V213 HydrophobicContact CE2-CG1 4.19Å; Y200-V213 HydrophobicContact CE2-CG2 4.42Å; Y200-V241 CarbonylContact C-O 3.59Å; Y200-V241 WeakPolarHBondContact CA-O 3.48Å; Y200-V241 HydrophobicContact CD2-CB 4.23Å; Y200-V241 HydrophobicContact CD2-CG1 3.83Å; Y200-V241 HydrophobicContact CE2-CG1 4.29Å; Y200-I243 HydrophobicContact CE2-CD1 3.67Å; Y200-I243 HydrophobicContact CE2-CG1 4.09Å
201	K	95	Very high	92.2	Very high	84 Å²	84	63.7 Å²	63.7	37%	0.365	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	137.9	167	-168.8	173	-178.2	-172.9	0	110.8	V241 E242 I243	K201-V241 PolarHBondContact N-O 2.99Å; K201-E242 HydrophobicContact CB-CG 4.48Å; K201-E242 CarbonylContact O-C 3.58Å; K201-E242 WeakPolarHBondContact O-CA 3.41Å; K201-I243 PolarHBondContact O-N 3.36Å
202	S	94.8	Very high	92.8	Very high	39 Å²	39	61.7 Å²	61.7	27%	0.273	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	149.2	172.5	-177.8	0	0	0	0	111.3	N205 I243	S202-N205 PolarHBondContact OG-O 3.05Å; S202-I243 CarbonylContact C-O 3.54Å; S202-I243 WeakPolarHBondContact CA-O 3.41Å
203	R	93.1	Very high	93.2	Very high	36 Å²	36	58 Å²	58	14%	0.136	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	136	166.4	-72.4	178.7	-163.3	77.1	-26.9	109.8	A124 N205 E242 I243 I244 K245	A124-R203 HydrophobicContact CB-CB 4Å; R203-N205 PolarHBondContact O-N 2.89Å; R203-N205 VanDerWaalsContact O-N 3.11Å; R203-E242 IonicContact CZ-OE1 2.68Å; R203-E242 IonicContact NH1-OE1 3.9Å; R203-E242 PolarHBondContact NH1-OE1 3.35Å; R203-E242 IonicContact NH1-OE2 3.99Å; R203-E242 IonicContact NH2-OE1 2.67Å; R203-E242 PolarHBondContact NH2-OE1 3.13Å; R203-E242 IonicContact NH2-OE2 3.62Å; R203-I243 PolarHBondContact N-O 2.76Å; R203-I244 WeakPolarHBondContact O-CA 3.25Å; R203-K245 PolarHBondContact O-N 2.83Å
204	N	91.7	Very high	93.6	Very high	108 Å²	108	55.2 Å²	55.2	58%	0.578	28%	0.284	S	S	*	.	S	Bend	trans	53.6	30.3	177.6	-57.9	-5.4	0	0	0	112.8	G123 K245	G123-N204 PolarHBondContact O-ND2 2.94Å; N204-K245 HydrophobicContact CB-CG 4.18Å
205	N	90.8	Very high	93.9	Very high	28 Å²	28	62.6 Å²	62.6	15%	0.15	31%	0.309	C	S	.	.			trans	-147.6	123.9	175.8	-178.4	-44.1	0	0	0	109.2	S202 R203 H207 V208 I243 K245	S202-N205 PolarHBondContact OG-O 3.05Å; R203-N205 PolarHBondContact O-N 2.89Å; R203-N205 VanDerWaalsContact O-N 3.11Å; N205-H207 PolarHBondContact OD1-N 3.31Å; N205-V208 PolarHBondContact OD1-N 2.95Å; N205-V208 VanDerWaalsContact OD1-N 3.1Å; N205-I243 HydrophobicContact CB-CG2 3.95Å; N205-K245 WeakPolarHBondContact CB-O 3.24Å; N205-K245 PolarHBondContact ND2-O 2.94Å
206	S	87.6	Confident	94	Very high	115 Å²	115	63.7 Å²	63.7	80%	0.804	31%	0.312	S	S	*	.			trans	-117.4	6.2	175.2	51.7	0	0	0	0	112.8
207	H	87.8	Confident	93.9	Very high	173 Å²	173	64 Å²	64	80%	0.801	31%	0.313	S	S	*	.	S	Bend	trans	-88.4	-28.7	-177.2	-60.4	-65.9	0	0	0	112.7	N205	N205-H207 PolarHBondContact OD1-N 3.31Å
208	V	90.9	Very high	93.9	Very high	26 Å²	26	64.1 Å²	64.1	16%	0.158	32%	0.317	C	S	.	.	S	Bend	trans	-93.8	116.7	-176.5	-176.4	0	0	0	0	111.1	A171 M176 Y200 N205 V213 I243	A171-V208 HydrophobicContact CB-CG2 4.28Å; A171-V208 VanDerWaalsContact O-CG2 3.3Å; A171-V208 WeakPolarHBondContact O-CG2 3.31Å; M176-V208 HydrophobicContact CE-CG1 3.95Å; Y200-V208 HydrophobicContact CE2-CG1 4.48Å; Y200-V208 PolarHBondContact OH-O 2.76Å; N205-V208 PolarHBondContact OD1-N 2.95Å; N205-V208 VanDerWaalsContact OD1-N 3.1Å; V208-V213 HydrophobicContact CG1-CG2 3.41Å; V208-V213 VanDerWaalsContact CG1-CG2 3.41Å; V208-I243 HydrophobicContact CB-CD1 3.82Å; V208-I243 HydrophobicContact CG1-CD1 3.55Å; V208-I243 HydrophobicContact CG2-CD1 4.01Å
209	N	93.3	Very high	93.8	Very high	76 Å²	76	64.8 Å²	64.8	41%	0.406	33%	0.329	S	S	.	.			trans	-70.5	132.3	178.1	-176.7	-61.6	0	0	0	111.3	E211 E212 V213	N209-E211 PolarHBondContact OD1-N 2.9Å; N209-E211 PolarHBondContact OD1-OE2 2.97Å; N209-E212 HydrophobicContact CB-CB 3.92Å; N209-E212 PolarHBondContact OD1-N 3.42Å; N209-V213 WeakPolarHBondContact O-CG2 3.47Å; N209-V213 PolarHBondContact O-N 2.83Å
210	R	93.9	Very high	93.7	Very high	108 Å²	108	64 Å²	64	41%	0.408	32%	0.323	S	S	.	.	H	α-helix	trans	-68	-51.1	-177.4	168.2	179.4	-174.1	94.5	14.3	111.8	Y200 E212 V213 I214	Y200-R210 HydrophobicContact CD1-CB 3.64Å; Y200-R210 HydrophobicContact CD1-CG 3.53Å; Y200-R210 HydrophobicContact CE1-CB 3.64Å; Y200-R210 HydrophobicContact CE1-CG 4.1Å; Y200-R210 HydrophobicContact CG-CB 4.42Å; Y200-R210 HydrophobicContact CG-CG 4.09Å; Y200-R210 PolarHBondContact O-NH1 2.86Å; R210-E212 VanDerWaalsContact C-N 3.32Å; R210-E212 PolarHBondContact O-N 3.49Å; R210-V213 PolarHBondContact O-N 3.45Å; R210-I214 HydrophobicContact CG-CD1 3.76Å; R210-I214 VanDerWaalsContact O-CG1 3.29Å; R210-I214 WeakPolarHBondContact O-CG1 3.32Å; R210-I214 PolarHBondContact O-N 3.04Å
211	E	95.1	Very high	93.6	Very high	108 Å²	108	63.3 Å²	63.3	51%	0.505	32%	0.321	S	S	.	.	H	α-helix	trans	-66.9	-37.4	-173.1	-68	61	-132.4	0	0	110.8	N209 R215	N209-E211 PolarHBondContact OD1-N 2.9Å; N209-E211 PolarHBondContact OD1-OE2 2.97Å; E211-R215 VanDerWaalsContact O-CB 3.31Å; E211-R215 WeakPolarHBondContact O-CB 3.28Å; E211-R215 PolarHBondContact O-N 2.96Å
212	E	95.1	Very high	93.5	Very high	76 Å²	76	62 Å²	62	36%	0.355	32%	0.322	S	S	.	.	H	α-helix	trans	-63.9	-51.8	175	-173.4	170.4	-148.3	0	0	112	L173 N209 R210 I214 R215 E216	L173-E212 HydrophobicContact CD1-CG 4.34Å; L173-E212 HydrophobicContact CD2-CG 3.88Å; L173-E212 WeakPolarHBondContact CD2-OE1 3.29Å; N209-E212 HydrophobicContact CB-CB 3.92Å; N209-E212 PolarHBondContact OD1-N 3.42Å; R210-E212 VanDerWaalsContact C-N 3.32Å; R210-E212 PolarHBondContact O-N 3.49Å; E212-I214 VanDerWaalsContact C-N 3.32Å; E212-I214 PolarHBondContact O-N 2.88Å; E212-R215 PolarHBondContact O-N 2.91Å; E212-E216 WeakPolarHBondContact O-CB 3.4Å; E212-E216 VanDerWaalsContact O-CG 3.26Å; E212-E216 WeakPolarHBondContact O-CG 3.25Å; E212-E216 PolarHBondContact O-N 3.09Å
213	V	95.5	Very high	93.4	Very high	1 Å²	1	66 Å²	66	1%	0.006	35%	0.345	C	S	.	.	H	α-helix	trans	-59.5	-42.6	177.4	169.8	0	0	0	0	111.8	L173 M176 Y200 V208 N209 R210 L217 V241	L173-V213 HydrophobicContact CD1-CG2 4.01Å; M176-V213 HydrophobicContact CE-CG2 3.65Å; Y200-V213 HydrophobicContact CD2-CB 4.38Å; Y200-V213 HydrophobicContact CD2-CG1 4.04Å; Y200-V213 HydrophobicContact CE2-CB 4.28Å; Y200-V213 HydrophobicContact CE2-CG1 4.19Å; Y200-V213 HydrophobicContact CE2-CG2 4.42Å; V208-V213 HydrophobicContact CG1-CG2 3.41Å; V208-V213 VanDerWaalsContact CG1-CG2 3.41Å; N209-V213 WeakPolarHBondContact O-CG2 3.47Å; N209-V213 PolarHBondContact O-N 2.83Å; R210-V213 PolarHBondContact O-N 3.45Å; V213-L217 HydrophobicContact CG1-CD1 3.69Å; V213-L217 HydrophobicContact CG1-CG 4.31Å; V213-L217 WeakPolarHBondContact O-CB 3.44Å; V213-L217 VanDerWaalsContact O-CG 3.26Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 2.76Å; V213-V241 HydrophobicContact CG1-CG1 4.1Å
214	I	96.1	Very high	93.3	Very high	47 Å²	47	66 Å²	66	24%	0.241	35%	0.347	C	S	.	.	H	α-helix	trans	-63.2	-44.9	177.6	-69.4	169.1	0	0	0	110.9	I198 R210 E212 A218	I198-I214 HydrophobicContact CD1-CG2 4.4Å; I198-I214 WeakPolarHBondContact CD1-O 3.3Å; I198-I214 HydrophobicContact CG2-CG1 4.08Å; R210-I214 HydrophobicContact CG-CD1 3.76Å; R210-I214 VanDerWaalsContact O-CG1 3.29Å; R210-I214 WeakPolarHBondContact O-CG1 3.32Å; R210-I214 PolarHBondContact O-N 3.04Å; E212-I214 VanDerWaalsContact C-N 3.32Å; E212-I214 PolarHBondContact O-N 2.88Å; I214-A218 VanDerWaalsContact O-CB 3.25Å; I214-A218 WeakPolarHBondContact O-CB 3.33Å; I214-A218 PolarHBondContact O-N 2.96Å
215	R	96.1	Very high	93.2	Very high	162 Å²	162	61.4 Å²	61.4	61%	0.611	32%	0.323	S	S	*	.	H	α-helix	trans	-61.7	-46.5	-179.8	-171.2	-167.9	-54.4	133	4.8	111.8	E211 E212 A218 G219	E211-R215 VanDerWaalsContact O-CB 3.31Å; E211-R215 WeakPolarHBondContact O-CB 3.28Å; E211-R215 PolarHBondContact O-N 2.96Å; E212-R215 PolarHBondContact O-N 2.91Å; R215-A218 PolarHBondContact O-N 3.47Å; R215-G219 PolarHBondContact O-N 2.93Å
216	E	95.6	Very high	93.2	Very high	61 Å²	61	65.4 Å²	65.4	29%	0.285	35%	0.353	S	S	.	.	H	α-helix	trans	-68.6	-44.9	-176.7	-68.3	-74.9	-164.1	0	0	111.9	L173 K177 E212 G219 I220	L173-E216 HydrophobicContact CD1-CG 4.33Å; K177-E216 VanDerWaalsContact CE-CG 3.48Å; K177-E216 VanDerWaalsContact CE-OE1 3.27Å; K177-E216 WeakPolarHBondContact CE-OE1 3.37Å; K177-E216 WeakPolarHBondContact CE-OE2 3.4Å; K177-E216 IonicContact NZ-OE1 3.05Å; K177-E216 PolarHBondContact NZ-OE1 3.34Å; K177-E216 IonicContact NZ-OE2 3.56Å; K177-E216 PolarHBondContact NZ-OE2 2.86Å; E212-E216 WeakPolarHBondContact O-CB 3.4Å; E212-E216 VanDerWaalsContact O-CG 3.26Å; E212-E216 WeakPolarHBondContact O-CG 3.25Å; E212-E216 PolarHBondContact O-N 3.09Å; E216-G219 PolarHBondContact O-N 2.91Å; E216-I220 WeakPolarHBondContact O-CG1 3.5Å; E216-I220 PolarHBondContact O-N 3.26Å
217	L	95.5	Very high	93.4	Very high	8 Å²	8	65 Å²	65	4%	0.042	34%	0.339	C	S	.	.	H	α-helix	trans	-64.9	-39.6	175.3	-68.9	176.7	0	0	0	112	A180 I198 V213 I220 V221 V241	A180-L217 HydrophobicContact CB-CD2 3.29Å; I198-L217 HydrophobicContact CD1-CB 3.79Å; I198-L217 HydrophobicContact CG2-CD1 4.44Å; V213-L217 HydrophobicContact CG1-CD1 3.69Å; V213-L217 HydrophobicContact CG1-CG 4.31Å; V213-L217 WeakPolarHBondContact O-CB 3.44Å; V213-L217 VanDerWaalsContact O-CG 3.26Å; V213-L217 WeakPolarHBondContact O-CG 3.33Å; V213-L217 PolarHBondContact O-N 2.76Å; L217-I220 PolarHBondContact O-N 2.93Å; L217-V221 WeakPolarHBondContact O-CG2 3.48Å; L217-V221 PolarHBondContact O-N 2.87Å; L217-V221 VanDerWaalsContact O-N 3.1Å; L217-V241 HydrophobicContact CD1-CG2 3.48Å; L217-V241 VanDerWaalsContact CD1-CG2 3.48Å
218	A	95.1	Very high	93.6	Very high	21 Å²	21	57.1 Å²	57.1	17%	0.174	30%	0.302	C	S	.	.	H	α-helix	trans	-63.9	-41.5	174.3	0	0	0	0	0	111.9	F196 I198 I214 R215 I220 V221 C222	F196-A218 HydrophobicContact CE2-CB 4.36Å; F196-A218 HydrophobicContact CZ-CB 4.44Å; I198-A218 HydrophobicContact CD1-CB 3.89Å; I214-A218 VanDerWaalsContact O-CB 3.25Å; I214-A218 WeakPolarHBondContact O-CB 3.33Å; I214-A218 PolarHBondContact O-N 2.96Å; R215-A218 PolarHBondContact O-N 3.47Å; A218-I220 PolarHBondContact O-N 3.25Å; A218-V221 PolarHBondContact O-N 2.62Å; A218-C222 PolarHBondContact O-N 2.93Å; A218-C222 PolarHBondContact O-SG 2.91Å; A218-C222 VanDerWaalsContact O-SG 3.33Å
219	G	94.9	Very high	93.7	Very high	34 Å²	34	62.8 Å²	62.8	35%	0.351	33%	0.325	S	S	.	.	H	α-helix	trans	-57.8	-44.9	174.4	0	0	0	0	0	112.6	R215 E216 C222 T223	R215-G219 PolarHBondContact O-N 2.93Å; E216-G219 PolarHBondContact O-N 2.91Å; G219-C222 PolarHBondContact O-N 3.44Å; G219-T223 WeakPolarHBondContact O-CB 3.34Å; G219-T223 PolarHBondContact O-N 2.87Å; G219-T223 PolarHBondContact O-OG1 2.8Å
220	I	94.3	Very high	93.8	Very high	17 Å²	17	63.2 Å²	63.2	9%	0.087	33%	0.33	C	S	.	.	H	α-helix	trans	-59.4	-48.6	174.3	-68.1	164.5	0	0	0	111.2	K177 A180 Q181 L184 E216 L217 A218 C222 T223 L224	K177-I220 HydrophobicContact CB-CD1 4.35Å; K177-I220 HydrophobicContact CG-CD1 4.3Å; A180-I220 HydrophobicContact CB-CD1 4.15Å; Q181-I220 HydrophobicContact CG-CD1 4.19Å; Q181-I220 HydrophobicContact CG-CG1 4.28Å; Q181-I220 HydrophobicContact CG-CG2 4.03Å; L184-I220 HydrophobicContact CD1-CG2 4.3Å; E216-I220 WeakPolarHBondContact O-CG1 3.5Å; E216-I220 PolarHBondContact O-N 3.26Å; L217-I220 PolarHBondContact O-N 2.93Å; A218-I220 PolarHBondContact O-N 3.25Å; I220-C222 PolarHBondContact O-N 3.48Å; I220-T223 WeakPolarHBondContact O-CB 3.37Å; I220-T223 PolarHBondContact O-N 3.11Å; I220-T223 VanDerWaalsContact O-N 3.08Å; I220-L224 HydrophobicContact CG2-CD1 4.23Å; I220-L224 WeakPolarHBondContact O-CG 3.46Å; I220-L224 PolarHBondContact O-N 3.2Å
221	V	93.8	Very high	93.9	Very high	1 Å²	1	60.2 Å²	60.2	1%	0.006	32%	0.322	C	S	.	.	H	α-helix	trans	-60.7	-42	179.7	175.9	0	0	0	0	112.2	L184 F188 F196 L217 A218 T223 L224 N225 N228	L184-V221 HydrophobicContact CD1-CG2 3.78Å; F188-V221 HydrophobicContact CB-CG1 4.13Å; F188-V221 HydrophobicContact CD1-CG1 3.61Å; F188-V221 HydrophobicContact CD2-CG1 4.35Å; F188-V221 HydrophobicContact CD2-CG2 4.26Å; F188-V221 HydrophobicContact CE1-CG1 4.06Å; F188-V221 HydrophobicContact CE2-CG2 4.49Å; F188-V221 HydrophobicContact CG-CG1 3.77Å; F188-V221 HydrophobicContact CG-CG2 4.44Å; F196-V221 HydrophobicContact CD1-CG1 3.68Å; F196-V221 HydrophobicContact CD2-CG1 4.25Å; F196-V221 HydrophobicContact CD2-CG2 4.47Å; F196-V221 HydrophobicContact CE1-CB 4.07Å; F196-V221 HydrophobicContact CE1-CG1 3.33Å; F196-V221 HydrophobicContact CE2-CB 3.96Å; F196-V221 HydrophobicContact CE2-CG1 3.94Å; F196-V221 HydrophobicContact CE2-CG2 4.09Å; F196-V221 HydrophobicContact CG-CG1 4.14Å; F196-V221 HydrophobicContact CZ-CB 3.65Å; F196-V221 HydrophobicContact CZ-CG1 3.47Å; F196-V221 VanDerWaalsContact CZ-CG1 3.47Å; F196-V221 HydrophobicContact CZ-CG2 4.31Å; L217-V221 WeakPolarHBondContact O-CG2 3.48Å; L217-V221 PolarHBondContact O-N 2.87Å; L217-V221 VanDerWaalsContact O-N 3.1Å; A218-V221 PolarHBondContact O-N 2.62Å; V221-T223 VanDerWaalsContact C-N 3.3Å; V221-T223 PolarHBondContact O-N 3.09Å; V221-L224 PolarHBondContact O-N 3.45Å; V221-N225 PolarHBondContact O-N 2.95Å; V221-N228 HydrophobicContact CG1-CB 3.87Å; V221-N228 PolarHBondContact O-ND2 2.88Å
222	C	92	Very high	93.8	Very high	57 Å²	57	60.8 Å²	60.8	39%	0.385	33%	0.328	S	S	.	.	H	α-helix	trans	-70.2	-25	176	-64.5	0	0	0	0	113.2	A218 G219 I220 N225	A218-C222 PolarHBondContact O-N 2.93Å; A218-C222 PolarHBondContact O-SG 2.91Å; A218-C222 VanDerWaalsContact O-SG 3.33Å; G219-C222 PolarHBondContact O-N 3.44Å; I220-C222 PolarHBondContact O-N 3.48Å; C222-N225 CarbonylContact O-C 3.55Å
223	T	93.1	Very high	93.5	Very high	124 Å²	124	62.4 Å²	62.4	76%	0.761	34%	0.343	S	S	*	.	H	α-helix	trans	-78.1	-33.5	176.3	-56.4	0	0	0	0	111.6	G219 I220 V221	G219-T223 WeakPolarHBondContact O-CB 3.34Å; G219-T223 PolarHBondContact O-N 2.87Å; G219-T223 PolarHBondContact O-OG1 2.8Å; I220-T223 WeakPolarHBondContact O-CB 3.37Å; I220-T223 PolarHBondContact O-N 3.11Å; I220-T223 VanDerWaalsContact O-N 3.08Å; V221-T223 VanDerWaalsContact C-N 3.3Å; V221-T223 PolarHBondContact O-N 3.09Å
224	L	91.3	Very high	93.3	Very high	34 Å²	34	67.9 Å²	67.9	18%	0.178	37%	0.372	C	S	.	.	H	α-helix	trans	-67.6	-35.8	176.1	-73.5	172	0	0	0	113.1	L184 E185 F188 I220 V221	L184-L224 HydrophobicContact CB-CD1 3.81Å; E185-L224 HydrophobicContact CG-CD2 4.12Å; F188-L224 HydrophobicContact CB-CD1 4.29Å; I220-L224 HydrophobicContact CG2-CD1 4.23Å; I220-L224 WeakPolarHBondContact O-CG 3.46Å; I220-L224 PolarHBondContact O-N 3.2Å; V221-L224 PolarHBondContact O-N 3.45Å
225	N	90.8	Very high	93.2	Very high	12 Å²	12	66 Å²	66	6%	0.064	36%	0.364	C	S	.	.			trans	-158.8	125.4	170.6	-176.7	-7.3	0	0	0	109.9	F188 N192 V221 C222 E227 N228	F188-N225 WeakPolarHBondContact O-CB 3.43Å; N192-N225 PolarHBondContact O-ND2 3.04Å; V221-N225 PolarHBondContact O-N 2.95Å; C222-N225 CarbonylContact O-C 3.55Å; N225-E227 PolarHBondContact O-N 2.72Å; N225-E227 WeakPolarHBondContact OD1-CB 3.08Å; N225-E227 PolarHBondContact OD1-N 2.91Å; N225-N228 WeakPolarHBondContact O-CB 3.37Å; N225-N228 PolarHBondContact O-N 3.41Å; N225-N228 PolarHBondContact O-ND2 3.42Å
226	S	90.4	Very high	93.1	Very high	113 Å²	113	63.5 Å²	63.5	79%	0.79	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-13	179.9	54.8	0	0	0	0	114.1	N228	S226-N228 VanDerWaalsContact C-N 3.31Å
227	E	91.7	Very high	93.1	Very high	106 Å²	106	62.5 Å²	62.5	50%	0.495	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.6	-12.9	171.5	-64.7	-158.5	-98.8	0	0	113.7	K193 N225	K193-E227 HydrophobicContact CB-CB 4.19Å; K193-E227 HydrophobicContact CD-CB 3.83Å; K193-E227 VanDerWaalsContact CD-CD 3.48Å; K193-E227 HydrophobicContact CD-CG 4.3Å; K193-E227 WeakPolarHBondContact CD-OE1 3.26Å; K193-E227 WeakPolarHBondContact CD-OE2 3.46Å; K193-E227 IonicContact NZ-OE1 2.64Å; K193-E227 PolarHBondContact NZ-OE1 2.81Å; K193-E227 IonicContact NZ-OE2 2.63Å; K193-E227 PolarHBondContact NZ-OE2 3.42Å; N225-E227 PolarHBondContact O-N 2.72Å; N225-E227 WeakPolarHBondContact OD1-CB 3.08Å; N225-E227 PolarHBondContact OD1-N 2.91Å
228	N	92.1	Very high	93.1	Very high	7 Å²	7	62.1 Å²	62.1	4%	0.037	35%	0.351	C	S	.	.			trans	-67.8	134.3	176.7	-68.4	-34.5	0	0	0	110.7	F188 K193 G194 F196 V221 N225 S226	F188-N228 PolarHBondContact O-ND2 3.01Å; K193-N228 WeakPolarHBondContact CA-OD1 3.37Å; G194-N228 PolarHBondContact N-OD1 2.87Å; G194-N228 VanDerWaalsContact N-OD1 3.15Å; F196-N228 HydrophobicContact CD1-CB 4.38Å; F196-N228 HydrophobicContact CE1-CB 4.11Å; V221-N228 HydrophobicContact CG1-CB 3.87Å; V221-N228 PolarHBondContact O-ND2 2.88Å; N225-N228 WeakPolarHBondContact O-CB 3.37Å; N225-N228 PolarHBondContact O-N 3.41Å; N225-N228 PolarHBondContact O-ND2 3.42Å; S226-N228 VanDerWaalsContact C-N 3.31Å
229	K	93.3	Very high	93.2	Very high	145 Å²	145	61.2 Å²	61.2	63%	0.63	34%	0.343	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.6	141.1	-177.5	-66.7	-176.3	-177.1	-178.6	0	111.8	G194 T195 F196	G194-K229 PolarHBondContact O-N 2.84Å; T195-K229 CarbonylContact C-O 3.51Å; T195-K229 VanDerWaalsContact CA-O 3.23Å; T195-K229 WeakPolarHBondContact CA-O 3.46Å; T195-K229 HydrophobicContact CG2-CB 4.49Å; F196-K229 VanDerWaalsContact CD1-O 3.27Å; F196-K229 WeakPolarHBondContact CD1-O 3.18Å; F196-K229 PolarHBondContact N-O 2.79Å
230	V	95.3	Very high	93.3	Very high	86 Å²	86	59.7 Å²	59.7	52%	0.521	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	126.2	172.9	-178.4	0	0	0	0	109.4	F196 L232	F196-V230 HydrophobicContact CE1-CG2 3.93Å; F196-V230 HydrophobicContact CE2-CG2 4.03Å; F196-V230 HydrophobicContact CZ-CG2 3.57Å; F196-V230 CarbonylContact O-C 3.39Å; F196-V230 VanDerWaalsContact O-CA 3.29Å; F196-V230 WeakPolarHBondContact O-CA 3.11Å; V230-L232 HydrophobicContact CG1-CD2 3.9Å; V230-L232 HydrophobicContact CG1-CG 4.3Å
231	D	94.4	Very high	93.4	Very high	45 Å²	45	58.9 Å²	58.9	24%	0.241	32%	0.323	C	S	.	.			trans	-133.8	118.2	169.7	177.8	7.8	0	0	0	108.8	T195 F196 Q197 T233 N234 P235	T195-D231 HydrophobicContact CG2-CB 4.38Å; F196-D231 PolarHBondContact O-N 2.94Å; Q197-D231 WeakPolarHBondContact CB-O 3.28Å; D231-T233 WeakPolarHBondContact OD1-CA 3.38Å; D231-T233 WeakPolarHBondContact OD1-CB 3.34Å; D231-T233 PolarHBondContact OD1-N 2.82Å; D231-N234 PolarHBondContact OD1-N 3.19Å; D231-N234 PolarHBondContact OD2-N 2.87Å; D231-P235 HydrophobicContact CB-CB 4.45Å; D231-P235 WeakPolarHBondContact O-CB 3.21Å; D231-P235 WeakPolarHBondContact O-CD 3.36Å; D231-P235 WeakPolarHBondContact O-CG 3.39Å
232	L	93	Very high	93.5	Very high	120 Å²	120	59.2 Å²	59.2	63%	0.628	32%	0.324	S	S	*	.	S	Bend	trans	-91.8	-3.5	-179.4	-54.8	-179.6	0	0	0	113.2	Q197 V230	Q197-L232 HydrophobicContact CB-CD2 3.95Å; V230-L232 HydrophobicContact CG1-CD2 3.9Å; V230-L232 HydrophobicContact CG1-CG 4.3Å
233	T	90.3	Very high	93.7	Very high	110 Å²	110	56.5 Å²	56.5	68%	0.675	31%	0.306	S	S	*	.	S	Bend	trans	-102.2	-56.5	-174.1	-49.2	0	0	0	0	111.4	D231	D231-T233 WeakPolarHBondContact OD1-CA 3.38Å; D231-T233 WeakPolarHBondContact OD1-CB 3.34Å; D231-T233 PolarHBondContact OD1-N 2.82Å
234	N	90.4	Very high	93.8	Very high	115 Å²	115	50.6 Å²	50.6	62%	0.615	27%	0.27	S	S	*	.	S	Bend	trans	-141.6	61.2	-180	-166.7	55.6	0	0	0	113.2	D231	D231-N234 PolarHBondContact OD1-N 3.19Å; D231-N234 PolarHBondContact OD2-N 2.87Å
235	P	94.1	Very high	93.9	Very high	9 Å²	9	52.5 Å²	52.5	6%	0.058	28%	0.276	C	S	.	.			trans	-67.8	145.2	178.9	27.9	-33.8	0	0	0	112.4	T195 Q197 D231 Y237	T195-P235 WeakPolarHBondContact OG1-CA 3.44Å; Q197-P235 HydrophobicContact CB-CB 4.44Å; Q197-P235 HydrophobicContact CB-CG 3.93Å; Q197-P235 HydrophobicContact CG-CB 4.48Å; Q197-P235 HydrophobicContact CG-CG 3.64Å; D231-P235 HydrophobicContact CB-CB 4.45Å; D231-P235 WeakPolarHBondContact O-CB 3.21Å; D231-P235 WeakPolarHBondContact O-CD 3.36Å; D231-P235 WeakPolarHBondContact O-CG 3.39Å; P235-Y237 VanDerWaalsContact C-N 3.31Å
236	Q	93.6	Very high	94	Very high	108 Å²	108	55.1 Å²	55.1	51%	0.505	30%	0.3	S	S	.	.	S	Bend	trans	-64.3	-38.1	169.8	-67.9	173.8	-7.9	0	0	111.7	T195	T195-Q236 PolarHBondContact O-N 2.99Å; T195-Q236 PolarHBondContact OG1-N 2.87Å
237	Y	95.4	Very high	94.2	Very high	40 Å²	40	50.2 Å²	50.2	16%	0.157	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.7	131.5	-177.2	-61.9	-78.7	0	0	0	111.4	W187 F188 T195 F196 Q197 P235 V252 K254	W187-Y237 AromaticContact CD1-CD1 3.9Å; W187-Y237 AromaticContact CD1-CE1 3.73Å; F188-Y237 HydrophobicContact CE1-CD2 4.17Å; F188-Y237 HydrophobicContact CE1-CG 4.35Å; F188-Y237 HydrophobicContact CZ-CD2 4.44Å; F188-Y237 HydrophobicContact CZ-CG 4.15Å; T195-Y237 PolarHBondContact O-N 3.19Å; F196-Y237 WeakPolarHBondContact CA-O 3.37Å; F196-Y237 WeakPolarHBondContact CB-O 3.47Å; Q197-Y237 PolarHBondContact N-O 2.8Å; Q197-Y237 VanDerWaalsContact N-O 3.14Å; P235-Y237 VanDerWaalsContact C-N 3.31Å; Y237-V252 HydrophobicContact CD1-CG1 3.79Å; Y237-V252 HydrophobicContact CG-CG1 4.28Å; Y237-K254 HydrophobicContact CD1-CG 4.17Å; Y237-K254 HydrophobicContact CE1-CD 4.38Å; Y237-K254 HydrophobicContact CE1-CG 4.12Å
238	T	96.6	Very high	94.4	Very high	1 Å²	1	45.3 Å²	45.3	1%	0.006	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	116.7	172.3	-64.4	0	0	0	0	109.1	Q197 V199 V240 V252 V253 Y256	Q197-T238 HydrophobicContact CG-CG2 3.74Å; Q197-T238 WeakPolarHBondContact CG-OG1 3.41Å; Q197-T238 PolarHBondContact NE2-OG1 3.1Å; V199-T238 HydrophobicContact CB-CG2 4.31Å; V199-T238 HydrophobicContact CG2-CG2 3.62Å; T238-V240 HydrophobicContact CG2-CG2 4.01Å; T238-V240 PolarHBondContact O-N 2.87Å; T238-V252 WeakPolarHBondContact O-CA 3.26Å; T238-V253 HydrophobicContact CG2-CG2 4.26Å; T238-V253 PolarHBondContact N-O 3.41Å; T238-V253 PolarHBondContact O-N 3.3Å; T238-Y256 HydrophobicContact CG2-CD1 3.87Å; T238-Y256 HydrophobicContact CG2-CD2 4.13Å; T238-Y256 HydrophobicContact CG2-CE1 4.22Å; T238-Y256 HydrophobicContact CG2-CE2 4.5Å; T238-Y256 HydrophobicContact CG2-CG 3.8Å; T238-Y256 VanDerWaalsContact OG1-CB 3.31Å; T238-Y256 WeakPolarHBondContact OG1-CB 3.44Å
239	V	96.8	Very high	94.6	Very high	2 Å²	2	45 Å²	45	1%	0.012	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	110.5	171.6	-175.1	0	0	0	0	107.7	L184 F188 Q197 I198 V199 V241 L250 S251	L184-V239 HydrophobicContact CD2-CG1 4.3Å; L184-V239 HydrophobicContact CD2-CG2 4.11Å; F188-V239 HydrophobicContact CE2-CG2 3.96Å; F188-V239 HydrophobicContact CZ-CG2 4.18Å; Q197-V239 PolarHBondContact O-N 2.74Å; I198-V239 CarbonylContact C-O 3.52Å; I198-V239 WeakPolarHBondContact CA-O 3.4Å; I198-V239 HydrophobicContact CG1-CB 4.25Å; V199-V239 PolarHBondContact N-O 3.36Å; V239-V241 HydrophobicContact CG1-CG2 4.25Å; V239-L250 HydrophobicContact CG1-CD1 3.82Å; V239-S251 CarbonylContact C-O 3.55Å; V239-S251 WeakPolarHBondContact CA-O 3.3Å
240	V	96.9	Very high	94.7	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.012	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	122.2	178.5	-179.4	0	0	0	0	108.7	L163 T238 L250 S251 V253 Y256	L163-V240 HydrophobicContact CD1-CG1 4.14Å; L163-V240 HydrophobicContact CD2-CG1 4.41Å; L163-V240 HydrophobicContact CD2-CG2 4.5Å; T238-V240 HydrophobicContact CG2-CG2 4.01Å; T238-V240 PolarHBondContact O-N 2.87Å; V240-L250 WeakPolarHBondContact O-CA 3.32Å; V240-S251 PolarHBondContact N-O 2.94Å; V240-S251 PolarHBondContact O-N 2.84Å; V240-S251 VanDerWaalsContact O-N 3.11Å; V240-V253 HydrophobicContact CG2-CG2 3.91Å; V240-Y256 HydrophobicContact CG2-CE2 4.44Å
241	V	96.9	Very high	94.8	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	104.9	179	-176.6	0	0	0	0	107.8	I198 V199 Y200 K201 V213 L217 V239 L250	I198-V241 HydrophobicContact CG2-CG2 3.94Å; V199-V241 PolarHBondContact O-N 3.16Å; Y200-V241 CarbonylContact C-O 3.59Å; Y200-V241 WeakPolarHBondContact CA-O 3.48Å; Y200-V241 HydrophobicContact CD2-CB 4.23Å; Y200-V241 HydrophobicContact CD2-CG1 3.83Å; Y200-V241 HydrophobicContact CE2-CG1 4.29Å; K201-V241 PolarHBondContact N-O 2.99Å; V213-V241 HydrophobicContact CG1-CG1 4.1Å; L217-V241 HydrophobicContact CD1-CG2 3.48Å; L217-V241 VanDerWaalsContact CD1-CG2 3.48Å; V239-V241 HydrophobicContact CG1-CG2 4.25Å; V241-L250 HydrophobicContact CG2-CD1 3.72Å
242	E	95.8	Very high	94.8	Very high	7 Å²	7	32.1 Å²	32.1	3%	0.033	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	104.4	-177.2	-166.7	146.2	142.5	0	0	111	L47 K201 R203 I244 C249	L47-E242 HydrophobicContact CD2-CB 4.02Å; L47-E242 VanDerWaalsContact CD2-CD 3.47Å; L47-E242 HydrophobicContact CD2-CG 3.67Å; L47-E242 WeakPolarHBondContact CD2-OE1 3.42Å; K201-E242 HydrophobicContact CB-CG 4.48Å; K201-E242 CarbonylContact O-C 3.58Å; K201-E242 WeakPolarHBondContact O-CA 3.41Å; R203-E242 IonicContact CZ-OE1 2.68Å; R203-E242 IonicContact NH1-OE1 3.9Å; R203-E242 PolarHBondContact NH1-OE1 3.35Å; R203-E242 IonicContact NH1-OE2 3.99Å; R203-E242 IonicContact NH2-OE1 2.67Å; R203-E242 PolarHBondContact NH2-OE1 3.13Å; R203-E242 IonicContact NH2-OE2 3.62Å; E242-I244 HydrophobicContact CG-CG1 4.47Å; E242-C249 HydrophobicContact CB-CB 4.41Å; E242-C249 PolarHBondContact N-O 3.31Å; E242-C249 VanDerWaalsContact O-CB 3.25Å; E242-C249 WeakPolarHBondContact O-CB 3.43Å; E242-C249 PolarHBondContact O-N 3.43Å; E242-C249 PolarHBondContact O-SG 3.47Å
243	I	95.9	Very high	95	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	129.8	178.9	-59.2	-170.4	0	0	0	109.7	A171 M176 Y200 K201 S202 R203 N205 V208 V247 C248	A171-I243 HydrophobicContact CB-CD1 4.46Å; A171-I243 HydrophobicContact CB-CG2 3.88Å; M176-I243 HydrophobicContact SD-CD1 4.08Å; Y200-I243 HydrophobicContact CE2-CD1 3.67Å; Y200-I243 HydrophobicContact CE2-CG1 4.09Å; K201-I243 PolarHBondContact O-N 3.36Å; S202-I243 CarbonylContact C-O 3.54Å; S202-I243 WeakPolarHBondContact CA-O 3.41Å; R203-I243 PolarHBondContact N-O 2.76Å; N205-I243 HydrophobicContact CB-CG2 3.95Å; V208-I243 HydrophobicContact CB-CD1 3.82Å; V208-I243 HydrophobicContact CG1-CD1 3.55Å; V208-I243 HydrophobicContact CG2-CD1 4.01Å; I243-V247 WeakPolarHBondContact CA-O 3.16Å; I243-C248 HydrophobicContact CG1-CB 4.17Å
244	I	95.1	Very high	95.2	Very high	1 Å²	1	25.2 Å²	25.2	1%	0.005	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	117.5	176.4	-55	-178.7	0	0	0	108.1	L39 L47 S122 A124 V127 R203 E242 A246 V247	L39-I244 HydrophobicContact CD2-CB 4.12Å; L39-I244 HydrophobicContact CD2-CD1 4.34Å; L39-I244 HydrophobicContact CD2-CG2 4.48Å; L47-I244 HydrophobicContact CD1-CD1 3.74Å; L47-I244 HydrophobicContact CD2-CD1 4.08Å; S122-I244 WeakPolarHBondContact O-CG2 3.15Å; A124-I244 HydrophobicContact CB-CG2 3.8Å; V127-I244 HydrophobicContact CG1-CD1 3.99Å; R203-I244 WeakPolarHBondContact O-CA 3.25Å; E242-I244 HydrophobicContact CG-CG1 4.47Å; I244-A246 PolarHBondContact O-N 3.45Å; I244-V247 PolarHBondContact N-O 3.4Å; I244-V247 PolarHBondContact O-N 2.7Å
245	K	93.1	Very high	95.3	Very high	73 Å²	73	23.1 Å²	23.1	32%	0.317	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	50	-121.7	-171.6	-63.5	174.3	164.5	177.8	0	110.3	G123 R203 N204 N205	G123-K245 VanDerWaalsContact O-CE 3.31Å; G123-K245 WeakPolarHBondContact O-CE 3.35Å; R203-K245 PolarHBondContact O-N 2.83Å; N204-K245 HydrophobicContact CB-CG 4.18Å; N205-K245 WeakPolarHBondContact CB-O 3.24Å; N205-K245 PolarHBondContact ND2-O 2.94Å
246	A	92.9	Very high	95.3	Very high	67 Å²	67	23.4 Å²	23.4	55%	0.554	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.6	10.6	-179.4	0	0	0	0	0	114.2	A171 I244	A171-A246 WeakPolarHBondContact CB-O 3.45Å; A171-A246 PolarHBondContact N-O 3.07Å; I244-A246 PolarHBondContact O-N 3.45Å
247	V	95	Very high	95.2	Very high	11 Å²	11	22 Å²	22	7%	0.067	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	132.5	-178	-177.5	0	0	0	0	110.5	L39 P41 T168 C169 I243 I244	L39-V247 HydrophobicContact CD2-CB 4.24Å; L39-V247 HydrophobicContact CD2-CG1 4.25Å; L39-V247 HydrophobicContact CG-CB 4.22Å; L39-V247 HydrophobicContact CG-CG1 4.04Å; L39-V247 HydrophobicContact CG-CG2 4.4Å; L39-V247 WeakPolarHBondContact O-CG2 3.41Å; P41-V247 HydrophobicContact CG-CG2 4.42Å; T168-V247 HydrophobicContact CG2-CG1 4.03Å; C169-V247 WeakPolarHBondContact O-CA 3.37Å; I243-V247 WeakPolarHBondContact CA-O 3.16Å; I244-V247 PolarHBondContact N-O 3.4Å; I244-V247 PolarHBondContact O-N 2.7Å
248	C	95.9	Very high	95	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.02	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.1	169.6	179.3	0	0	0	0	109.1	T168 C169 M176 I243	T168-C248 CarbonylContact C-O 3.55Å; T168-C248 VanDerWaalsContact CA-O 3.23Å; T168-C248 WeakPolarHBondContact CA-O 3.23Å; C169-C248 PolarHBondContact N-O 3.23Å; C169-C248 PolarHBondContact O-N 3.16Å; M176-C248 HydrophobicContact CG-CB 3.98Å; M176-C248 HydrophobicContact SD-CB 3.74Å; I243-C248 HydrophobicContact CG1-CB 4.17Å
249	C	96.1	Very high	94.9	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	123.2	175.3	-49.8	0	0	0	0	108.6	I165 T168 E242	I165-C249 HydrophobicContact CD1-CB 3.58Å; I165-C249 HydrophobicContact CG1-CB 3.97Å; I165-C249 HydrophobicContact CG2-CB 3.76Å; T168-C249 HydrophobicContact CG2-CB 4.3Å; E242-C249 HydrophobicContact CB-CB 4.41Å; E242-C249 PolarHBondContact N-O 3.31Å; E242-C249 VanDerWaalsContact O-CB 3.25Å; E242-C249 WeakPolarHBondContact O-CB 3.43Å; E242-C249 PolarHBondContact O-N 3.43Å; E242-C249 PolarHBondContact O-SG 3.47Å
250	L	96.4	Very high	94.7	Very high	5 Å²	5	27.4 Å²	27.4	3%	0.026	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	139	-175.4	-167	64.3	0	0	0	111	S166 G167 Y179 A180 F183 V239 V240 V241	S166-L250 PolarHBondContact N-O 2.71Å; S166-L250 VanDerWaalsContact N-O 3.08Å; G167-L250 PolarHBondContact N-O 3.3Å; G167-L250 PolarHBondContact O-N 3.19Å; Y179-L250 HydrophobicContact CD1-CD2 3.81Å; Y179-L250 HydrophobicContact CE1-CB 4.24Å; Y179-L250 HydrophobicContact CE1-CD2 3.95Å; A180-L250 HydrophobicContact CB-CD2 4.4Å; F183-L250 HydrophobicContact CB-CD2 4.36Å; F183-L250 HydrophobicContact CD1-CD2 3.35Å; F183-L250 HydrophobicContact CD1-CG 3.75Å; F183-L250 HydrophobicContact CE1-CD2 3.92Å; F183-L250 HydrophobicContact CE1-CG 3.75Å; F183-L250 HydrophobicContact CG-CD2 4.02Å; V239-L250 HydrophobicContact CG1-CD1 3.82Å; V240-L250 WeakPolarHBondContact O-CA 3.32Å; V241-L250 HydrophobicContact CG2-CD1 3.72Å
251	S	96	Very high	94.6	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154	155.5	169.1	-163.5	0	0	0	0	111.5	P164 S166 V239 V240	P164-S251 WeakPolarHBondContact O-CB 3.46Å; P164-S251 PolarHBondContact O-OG 2.9Å; S166-S251 PolarHBondContact OG-OG 3.06Å; V239-S251 CarbonylContact C-O 3.55Å; V239-S251 WeakPolarHBondContact CA-O 3.3Å; V240-S251 PolarHBondContact N-O 2.94Å; V240-S251 PolarHBondContact O-N 2.84Å; V240-S251 VanDerWaalsContact O-N 3.11Å
252	V	95.9	Very high	94.5	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	137.3	162.6	-171.2	0	0	0	0	107.3	F183 L184 W187 F188 Y237 T238	F183-V252 HydrophobicContact CE1-CG2 3.75Å; F183-V252 HydrophobicContact CZ-CG2 4.18Å; L184-V252 HydrophobicContact CD2-CG2 3.93Å; W187-V252 HydrophobicContact CD2-CB 3.96Å; W187-V252 HydrophobicContact CD2-CG1 4.36Å; W187-V252 HydrophobicContact CD2-CG2 3.74Å; W187-V252 HydrophobicContact CE3-CG2 3.94Å; W187-V252 HydrophobicContact CG-CB 4.1Å; W187-V252 HydrophobicContact CG-CG1 3.95Å; W187-V252 HydrophobicContact CG-CG2 4.02Å; W187-V252 HydrophobicContact CZ2-CB 4.33Å; W187-V252 HydrophobicContact CZ3-CG2 4.46Å; F188-V252 HydrophobicContact CE2-CG1 4.44Å; F188-V252 HydrophobicContact CE2-CG2 4.38Å; Y237-V252 HydrophobicContact CD1-CG1 3.79Å; Y237-V252 HydrophobicContact CG-CG1 4.28Å; T238-V252 WeakPolarHBondContact O-CA 3.26Å
253	V	95.6	Very high	94.4	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	146.7	176	-61.2	0	0	0	0	111.8	P164 T238 V240 Y256 Y262	P164-V253 HydrophobicContact CG-CG1 3.41Å; P164-V253 VanDerWaalsContact CG-CG1 3.41Å; T238-V253 HydrophobicContact CG2-CG2 4.26Å; T238-V253 PolarHBondContact N-O 3.41Å; T238-V253 PolarHBondContact O-N 3.3Å; V240-V253 HydrophobicContact CG2-CG2 3.91Å; V253-Y256 HydrophobicContact CG2-CD2 3.85Å; V253-Y256 HydrophobicContact CG2-CG 4.4Å; V253-Y262 HydrophobicContact CB-CE1 4.23Å; V253-Y262 HydrophobicContact CB-CE2 4.11Å; V253-Y262 HydrophobicContact CG1-CE1 4.02Å; V253-Y262 HydrophobicContact CG2-CE2 4.08Å
254	K	94.3	Very high	94.2	Very high	86 Å²	86	33.2 Å²	33.2	37%	0.374	17%	0.166	S	C	.	.	S	Bend	trans	-93	165.3	173	-63.9	177.1	-179.8	176.4	0	110.9	Y237 Y256 Y262	Y237-K254 HydrophobicContact CD1-CG 4.17Å; Y237-K254 HydrophobicContact CE1-CD 4.38Å; Y237-K254 HydrophobicContact CE1-CG 4.12Å; K254-Y256 PolarHBondContact O-N 3.5Å; K254-Y262 WeakPolarHBondContact O-CE2 3.44Å; K254-Y262 PolarHBondContact O-OH 2.84Å; K254-Y262 VanDerWaalsContact O-OH 3.1Å
255	D	93.5	Very high	94	Very high	70 Å²	70	35.7 Å²	35.7	37%	0.374	18%	0.177	S	C	.	.	S	Bend	trans	55.2	25.6	168.4	-63.4	-52.2	0	0	0	115.2	H142 M257 L258 F259	H142-D255 IonicContact CE1-OD2 2.72Å; H142-D255 PolarHBondContact CE1-OD2 2.93Å; D255-M257 VanDerWaalsContact C-N 3.26Å; D255-M257 PolarHBondContact O-N 3.31Å; D255-L258 HydrophobicContact CB-CB 4.11Å; D255-L258 HydrophobicContact CB-CD2 4.16Å; D255-L258 WeakPolarHBondContact O-CB 3.49Å; D255-L258 PolarHBondContact O-N 3.44Å; D255-L258 VanDerWaalsContact O-N 3.1Å; D255-F259 HydrophobicContact CB-CD2 3.81Å; D255-F259 HydrophobicContact CB-CE2 3.58Å; D255-F259 HydrophobicContact CB-CZ 4.13Å; D255-F259 PolarHBondContact O-N 3.23Å
256	Y	93.8	Very high	94	Very high	16 Å²	16	35.2 Å²	35.2	6%	0.063	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-36.4	-172.7	-175.5	-106.5	0	0	0	113.2	L163 V199 T238 V240 V253 K254 R260 K261 Y262	L163-Y256 HydrophobicContact CD2-CE2 4.32Å; V199-Y256 HydrophobicContact CG2-CE1 3.9Å; T238-Y256 HydrophobicContact CG2-CD1 3.87Å; T238-Y256 HydrophobicContact CG2-CD2 4.13Å; T238-Y256 HydrophobicContact CG2-CE1 4.22Å; T238-Y256 HydrophobicContact CG2-CE2 4.5Å; T238-Y256 HydrophobicContact CG2-CG 3.8Å; T238-Y256 VanDerWaalsContact OG1-CB 3.31Å; T238-Y256 WeakPolarHBondContact OG1-CB 3.44Å; V240-Y256 HydrophobicContact CG2-CE2 4.44Å; V253-Y256 HydrophobicContact CG2-CD2 3.85Å; V253-Y256 HydrophobicContact CG2-CG 4.4Å; K254-Y256 PolarHBondContact O-N 3.5Å; Y256-R260 PolarHBondContact O-N 3.03Å; Y256-K261 HydrophobicContact CD1-CG 4.33Å; Y256-K261 HydrophobicContact CE1-CB 3.91Å; Y256-K261 HydrophobicContact CE1-CD 4.38Å; Y256-K261 HydrophobicContact CE1-CG 3.68Å; Y256-K261 HydrophobicContact CE2-CB 4.15Å; Y256-K261 WeakPolarHBondContact O-CA 3.45Å; Y256-K261 PolarHBondContact O-N 3.28Å; Y256-Y262 AromaticContact CD2-CD2 3.61Å; Y256-Y262 HydrophobicContact CD2-CD2 3.61Å; Y256-Y262 HydrophobicContact CD2-CE2 4.16Å; Y256-Y262 HydrophobicContact CD2-CG 4.34Å; Y256-Y262 HydrophobicContact CE2-CD2 4.3Å; Y256-Y262 HydrophobicContact CG-CD2 4.48Å
257	M	91.8	Very high	93.9	Very high	77 Å²	77	32 Å²	32	38%	0.379	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-41	177.1	-61.1	-59.3	-80.5	0	0	111.7	D255 F259 R260	D255-M257 VanDerWaalsContact C-N 3.26Å; D255-M257 PolarHBondContact O-N 3.31Å; M257-F259 PolarHBondContact O-N 2.83Å; M257-R260 WeakPolarHBondContact O-CA 3.42Å; M257-R260 PolarHBondContact O-N 2.92Å
258	L	92.1	Very high	93.7	Very high	80 Å²	80	32 Å²	32	42%	0.419	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-45.3	175.9	-177.8	67.9	0	0	0	111.7	Y149 D255 R260	Y149-L258 HydrophobicContact CE1-CD1 4.44Å; Y149-L258 HydrophobicContact CE2-CD1 3.83Å; Y149-L258 HydrophobicContact CE2-CG 4.16Å; Y149-L258 WeakPolarHBondContact OH-CD1 3.49Å; D255-L258 HydrophobicContact CB-CB 4.11Å; D255-L258 HydrophobicContact CB-CD2 4.16Å; D255-L258 WeakPolarHBondContact O-CB 3.49Å; D255-L258 PolarHBondContact O-N 3.44Å; D255-L258 VanDerWaalsContact O-N 3.1Å; L258-R260 PolarHBondContact O-N 2.92Å
259	F	93.6	Very high	93.4	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.013	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	20.2	174.7	-56.3	-40.2	0	0	0	113.7	H142 L145 Q146 Y149 D255 M257 K261 Y262 N263 V267	H142-F259 AromaticContact CE1-CE2 3.7Å; H142-F259 AromaticContact ND1-CE2 3.67Å; L145-F259 HydrophobicContact CB-CB 4.4Å; L145-F259 HydrophobicContact CB-CD1 4.06Å; L145-F259 HydrophobicContact CB-CD2 3.96Å; L145-F259 HydrophobicContact CB-CE1 4.31Å; L145-F259 HydrophobicContact CB-CE2 4.19Å; L145-F259 HydrophobicContact CB-CG 3.89Å; L145-F259 HydrophobicContact CB-CZ 4.38Å; L145-F259 HydrophobicContact CD1-CB 4.14Å; L145-F259 HydrophobicContact CD1-CD2 4.13Å; L145-F259 HydrophobicContact CD1-CG 4.28Å; Q146-F259 HydrophobicContact CB-CZ 4.14Å; Y149-F259 HydrophobicContact CD2-CD1 4.42Å; Y149-F259 HydrophobicContact CG-CD1 4.46Å; Y149-F259 HydrophobicContact CG-CE1 4.29Å; D255-F259 HydrophobicContact CB-CD2 3.81Å; D255-F259 HydrophobicContact CB-CE2 3.58Å; D255-F259 HydrophobicContact CB-CZ 4.13Å; D255-F259 PolarHBondContact O-N 3.23Å; M257-F259 PolarHBondContact O-N 2.83Å; F259-K261 PolarHBondContact O-N 3.06Å; F259-Y262 HydrophobicContact CB-CD2 4.1Å; F259-Y262 HydrophobicContact CB-CE2 4.29Å; F259-Y262 HydrophobicContact CD2-CD2 4.41Å; F259-Y262 AromaticContact CD2-CE2 3.79Å; F259-Y262 HydrophobicContact CD2-CE2 3.79Å; F259-Y262 WeakPolarHBondContact O-CA 3.37Å; F259-Y262 PolarHBondContact O-N 3.3Å; F259-N263 PolarHBondContact O-N 2.87Å; F259-V267 HydrophobicContact CB-CG2 4.34Å; F259-V267 HydrophobicContact CD1-CG2 3.95Å
260	R	93.1	Very high	92.5	Very high	75 Å²	75	40 Å²	40	28%	0.283	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	54	175.5	-60.3	-173.1	-171.1	-100.1	11.9	113.6	Y256 M257 L258 Y262 N263 E266 K269 S270	Y256-R260 PolarHBondContact O-N 3.03Å; M257-R260 WeakPolarHBondContact O-CA 3.42Å; M257-R260 PolarHBondContact O-N 2.92Å; L258-R260 PolarHBondContact O-N 2.92Å; R260-Y262 VanDerWaalsContact C-N 3.33Å; R260-N263 WeakPolarHBondContact O-CB 3.43Å; R260-E266 HydrophobicContact CB-CB 4.01Å; R260-E266 VanDerWaalsContact CD-O 3.24Å; R260-E266 WeakPolarHBondContact CD-O 3.31Å; R260-E266 PolarHBondContact NE-O 3.11Å; R260-E266 VanDerWaalsContact NE-O 3.17Å; R260-K269 PolarHBondContact NH2-O 2.74Å; R260-S270 VanDerWaalsContact NH2-C 3.32Å; R260-S270 PolarHBondContact NH2-O 2.91Å
261	K	93.8	Very high	91.1	Very high	106 Å²	106	45.5 Å²	45.5	46%	0.461	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	61.8	41.2	-178.1	-49.7	-177.2	-177.9	179	0	112.2	R161 Y256 F259 N263	R161-K261 WeakPolarHBondContact CD-O 3.3Å; R161-K261 PolarHBondContact NE-O 3.11Å; Y256-K261 HydrophobicContact CD1-CG 4.33Å; Y256-K261 HydrophobicContact CE1-CB 3.91Å; Y256-K261 HydrophobicContact CE1-CD 4.38Å; Y256-K261 HydrophobicContact CE1-CG 3.68Å; Y256-K261 HydrophobicContact CE2-CB 4.15Å; Y256-K261 WeakPolarHBondContact O-CA 3.45Å; Y256-K261 PolarHBondContact O-N 3.28Å; F259-K261 PolarHBondContact O-N 3.06Å; K261-N263 PolarHBondContact O-N 3.04Å
262	Y	95.1	Very high	89.1	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	27.7	177.9	-86.1	-130.7	0	0	0	114.1	V141 L145 R161 M162 L163 P164 V253 K254 Y256 F259 R260	V141-Y262 HydrophobicContact CG1-CD1 3.87Å; V141-Y262 HydrophobicContact CG1-CE1 3.9Å; L145-Y262 HydrophobicContact CD1-CD1 3.24Å; L145-Y262 HydrophobicContact CD1-CD2 3.91Å; L145-Y262 HydrophobicContact CD1-CE1 3.49Å; L145-Y262 VanDerWaalsContact CD1-CE1 3.49Å; L145-Y262 HydrophobicContact CD1-CE2 4.13Å; L145-Y262 HydrophobicContact CD1-CG 3.44Å; L145-Y262 VanDerWaalsContact CD1-CG 3.44Å; R161-Y262 WeakPolarHBondContact CA-O 3.49Å; R161-Y262 VanDerWaalsContact CG-O 3.23Å; R161-Y262 WeakPolarHBondContact CG-O 3.41Å; M162-Y262 PolarHBondContact N-O 3.05Å; M162-Y262 WeakPolarHBondContact O-CB 3.47Å; M162-Y262 WeakPolarHBondContact O-CD1 3.27Å; L163-Y262 HydrophobicContact CD2-CD1 4.4Å; L163-Y262 HydrophobicContact CD2-CG 4.26Å; P164-Y262 HydrophobicContact CG-CE1 4.18Å; V253-Y262 HydrophobicContact CB-CE1 4.23Å; V253-Y262 HydrophobicContact CB-CE2 4.11Å; V253-Y262 HydrophobicContact CG1-CE1 4.02Å; V253-Y262 HydrophobicContact CG2-CE2 4.08Å; K254-Y262 WeakPolarHBondContact O-CE2 3.44Å; K254-Y262 PolarHBondContact O-OH 2.84Å; K254-Y262 VanDerWaalsContact O-OH 3.1Å; Y256-Y262 AromaticContact CD2-CD2 3.61Å; Y256-Y262 HydrophobicContact CD2-CD2 3.61Å; Y256-Y262 HydrophobicContact CD2-CE2 4.16Å; Y256-Y262 HydrophobicContact CD2-CG 4.34Å; Y256-Y262 HydrophobicContact CE2-CD2 4.3Å; Y256-Y262 HydrophobicContact CG-CD2 4.48Å; F259-Y262 HydrophobicContact CB-CD2 4.1Å; F259-Y262 HydrophobicContact CB-CE2 4.29Å; F259-Y262 HydrophobicContact CD2-CD2 4.41Å; F259-Y262 AromaticContact CD2-CE2 3.79Å; F259-Y262 HydrophobicContact CD2-CE2 3.79Å; F259-Y262 WeakPolarHBondContact O-CA 3.37Å; F259-Y262 PolarHBondContact O-N 3.3Å; R260-Y262 VanDerWaalsContact C-N 3.33Å
263	N	94.4	Very high	86.5	Confident	23 Å²	23	60.6 Å²	60.6	12%	0.123	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-91.3	112.6	-176.5	-178.5	-37.4	0	0	0	111.2	L160 F259 R260 K261 Q265 E266 V267	L160-N263 CarbonylContact O-C 3.59Å; L160-N263 VanDerWaalsContact O-CA 3.25Å; L160-N263 WeakPolarHBondContact O-CA 3.29Å; L160-N263 PolarHBondContact O-OD1 3.29Å; F259-N263 PolarHBondContact O-N 2.87Å; R260-N263 WeakPolarHBondContact O-CB 3.43Å; K261-N263 PolarHBondContact O-N 3.04Å; N263-Q265 VanDerWaalsContact C-N 3.26Å; N263-Q265 PolarHBondContact O-N 3.26Å; N263-Q265 WeakPolarHBondContact OD1-CA 3.48Å; N263-Q265 PolarHBondContact OD1-N 2.81Å; N263-E266 HydrophobicContact CB-CB 4.02Å; N263-E266 HydrophobicContact CB-CG 4.04Å; N263-E266 VanDerWaalsContact CG-CG 3.4Å; N263-E266 WeakPolarHBondContact ND2-CG 3.47Å; N263-E266 PolarHBondContact O-N 3.36Å; N263-E266 WeakPolarHBondContact OD1-CG 3.2Å; N263-E266 PolarHBondContact OD1-N 3Å; N263-V267 WeakPolarHBondContact O-CB 3.05Å; N263-V267 PolarHBondContact O-N 2.76Å
264	L	92	Very high	83.9	Confident	1 Å²	1	65.9 Å²	65.9	1%	0.005	34%	0.337	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.5	-25.8	-175.9	-83	75.5	0	0	0	113.2	L64 L145 M148 T156 I159 L160 M162	L64-L264 HydrophobicContact CD2-CD2 3.95Å; L145-L264 HydrophobicContact CD2-CD1 3.9Å; L145-L264 HydrophobicContact CD2-CG 4.16Å; M148-L264 HydrophobicContact CE-CB 3.94Å; M148-L264 HydrophobicContact CE-CD2 4.37Å; M148-L264 HydrophobicContact CE-CG 4.19Å; M148-L264 VanDerWaalsContact CE-O 3.23Å; M148-L264 WeakPolarHBondContact CE-O 3.23Å; M148-L264 HydrophobicContact SD-CB 4.26Å; M148-L264 HydrophobicContact SD-CD2 3.79Å; M148-L264 HydrophobicContact SD-CG 3.82Å; T156-L264 HydrophobicContact CG2-CD2 3.94Å; I159-L264 HydrophobicContact CG2-CD1 4.47Å; I159-L264 HydrophobicContact CG2-CD2 4.06Å; L160-L264 PolarHBondContact O-N 3.44Å; M162-L264 HydrophobicContact CB-CD1 3.83Å; M162-L264 HydrophobicContact CG-CD1 3.71Å; M162-L264 HydrophobicContact CG-CD2 4.23Å; M162-L264 HydrophobicContact SD-CD1 3.99Å; M162-L264 HydrophobicContact SD-CD2 3.54Å; M162-L264 VanDerWaalsContact SD-CD2 3.54Å; M162-L264 HydrophobicContact SD-CG 4.43Å
265	Q	90.8	Very high	81.4	Confident	53 Å²	53	66.9 Å²	66.9	25%	0.248	35%	0.354	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-24.8	178.1	-56.1	-164.2	4.1	0	0	112.7	R157 I159 L160 N263 V268 K269	R157-Q265 PolarHBondContact O-NE2 2.93Å; I159-Q265 WeakPolarHBondContact O-CG 3.17Å; I159-Q265 PolarHBondContact O-NE2 3.05Å; L160-Q265 HydrophobicContact CD2-CG 4.48Å; N263-Q265 VanDerWaalsContact C-N 3.26Å; N263-Q265 PolarHBondContact O-N 3.26Å; N263-Q265 WeakPolarHBondContact OD1-CA 3.48Å; N263-Q265 PolarHBondContact OD1-N 2.81Å; Q265-V268 WeakPolarHBondContact O-CG2 2.99Å; Q265-K269 WeakPolarHBondContact O-CE 3.21Å
266	E	91.5	Very high	78.8	Confident	63 Å²	63	71.8 Å²	71.8	29%	0.294	38%	0.375	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-35.8	179.2	-60.3	-61.1	141.6	0	0	112.3	R260 N263 V268 K269	R260-E266 HydrophobicContact CB-CB 4.01Å; R260-E266 VanDerWaalsContact CD-O 3.24Å; R260-E266 WeakPolarHBondContact CD-O 3.31Å; R260-E266 PolarHBondContact NE-O 3.11Å; R260-E266 VanDerWaalsContact NE-O 3.17Å; N263-E266 HydrophobicContact CB-CB 4.02Å; N263-E266 HydrophobicContact CB-CG 4.04Å; N263-E266 VanDerWaalsContact CG-CG 3.4Å; N263-E266 WeakPolarHBondContact ND2-CG 3.47Å; N263-E266 PolarHBondContact O-N 3.36Å; N263-E266 WeakPolarHBondContact OD1-CG 3.2Å; N263-E266 PolarHBondContact OD1-N 3Å; E266-V268 PolarHBondContact O-N 3.47Å; E266-V268 VanDerWaalsContact O-N 3.15Å; E266-K269 WeakPolarHBondContact O-CB 3.44Å; E266-K269 PolarHBondContact O-N 3.14Å; E266-K269 WeakPolarHBondContact OE1-CE 3.17Å; E266-K269 IonicContact OE1-NZ 2.72Å; E266-K269 PolarHBondContact OE1-NZ 2.89Å; E266-K269 VanDerWaalsContact OE2-CD 3.3Å; E266-K269 WeakPolarHBondContact OE2-CD 3.32Å; E266-K269 WeakPolarHBondContact OE2-CE 3.25Å; E266-K269 IonicContact OE2-NZ 2.74Å; E266-K269 PolarHBondContact OE2-NZ 2.74Å
267	V	92.2	Very high	76.3	Confident	0 Å²	0	77.4 Å²	77.4	0%	0	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-31.6	-175.3	69.9	0	0	0	0	113.6	L145 M148 Y149 F259 N263 K269	L145-V267 HydrophobicContact CD2-CB 4.46Å; L145-V267 HydrophobicContact CD2-CG1 4.17Å; M148-V267 HydrophobicContact CB-CG1 3.99Å; M148-V267 HydrophobicContact CE-CG1 4.33Å; Y149-V267 HydrophobicContact CD2-CG2 3.89Å; Y149-V267 HydrophobicContact CG-CG2 4.37Å; F259-V267 HydrophobicContact CB-CG2 4.34Å; F259-V267 HydrophobicContact CD1-CG2 3.95Å; N263-V267 WeakPolarHBondContact O-CB 3.05Å; N263-V267 PolarHBondContact O-N 2.76Å; V267-K269 VanDerWaalsContact C-N 3.34Å
268	V	91.3	Very high	73.8	Confident	12 Å²	12	81.5 Å²	81.5	7%	0.073	43%	0.429	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-15.6	176.1	-62.4	0	0	0	0	113.7	M148 K153 K154 Q265 E266	M148-V268 HydrophobicContact CB-CG1 4.33Å; M148-V268 HydrophobicContact CE-CG1 3.91Å; K153-V268 WeakPolarHBondContact O-CG1 3.16Å; K154-V268 HydrophobicContact CD-CG2 4.41Å; K154-V268 HydrophobicContact CG-CB 4.46Å; K154-V268 HydrophobicContact CG-CG1 4.37Å; K154-V268 HydrophobicContact CG-CG2 3.73Å; Q265-V268 WeakPolarHBondContact O-CG2 2.99Å; E266-V268 PolarHBondContact O-N 3.47Å; E266-V268 VanDerWaalsContact O-N 3.15Å
269	K	88.6	Confident	71.3	Confident	92 Å²	92	82.5 Å²	82.5	40%	0.4	44%	0.443	S	S	.	.	S	Bend	trans	-78.5	128.6	179	-58.2	-174.5	-165.7	166.9	0	109.2	R260 Q265 E266 V267	R260-K269 PolarHBondContact NH2-O 2.74Å; Q265-K269 WeakPolarHBondContact O-CE 3.21Å; E266-K269 WeakPolarHBondContact O-CB 3.44Å; E266-K269 PolarHBondContact O-N 3.14Å; E266-K269 WeakPolarHBondContact OE1-CE 3.17Å; E266-K269 IonicContact OE1-NZ 2.72Å; E266-K269 PolarHBondContact OE1-NZ 2.89Å; E266-K269 VanDerWaalsContact OE2-CD 3.3Å; E266-K269 WeakPolarHBondContact OE2-CD 3.32Å; E266-K269 WeakPolarHBondContact OE2-CE 3.25Å; E266-K269 IonicContact OE2-NZ 2.74Å; E266-K269 PolarHBondContact OE2-NZ 2.74Å; V267-K269 VanDerWaalsContact C-N 3.34Å
270	S	76.9	Confident	68.6	Low	77 Å²	77	92.5 Å²	92.5	54%	0.538	49%	0.486	S	S	.	.			trans	-50.9	151.8	166.2	-47.4	0	0	0	0	111	R260 K272	R260-S270 VanDerWaalsContact NH2-C 3.32Å; R260-S270 PolarHBondContact NH2-O 2.91Å; S270-K272 VanDerWaalsContact C-N 3.3Å; S270-K272 PolarHBondContact O-N 2.72Å
271	P	67.9	Low	65.7	Low	121 Å²	121	98.7 Å²	98.7	79%	0.786	52%	0.518	S	S	*	.			trans	-61.7	93.4	169.6	27.2	-33.5	0	0	0	109.6
272	K	53.7	Low	62.5	Low	183 Å²	183	97.1 Å²	97.1	80%	0.796	53%	0.533	S	S	*	.			trans	-76.8	147.5	155.8	-63.5	-169.7	174.8	-167.1	0	107.6	S270	S270-K272 VanDerWaalsContact C-N 3.3Å; S270-K272 PolarHBondContact O-N 2.72Å
273	D	41.3	Very low	59.3	Low	135 Å²	135	104 Å²	104	72%	0.722	57%	0.569	S	S	*	*			trans	-51.4	151.3	-174.8	-72.1	-70.8	0	0	0	113.8	S275	D273-S275 PolarHBondContact O-N 2.73Å
274	P	40.3	Very low	56.3	Low	111 Å²	111	106.5 Å²	106.5	72%	0.721	60%	0.6	S	S	*	*	G	3₁₀ helix	trans	-63.6	-2.6	-169.6	-23.9	35.2	0	0	0	116.7	Q276	P274-Q276 VanDerWaalsContact C-N 3.27Å; P274-Q276 PolarHBondContact O-N 2.71Å; P274-Q276 VanDerWaalsContact O-N 3.13Å
275	S	41.1	Very low	53.3	Low	106 Å²	106	115.5 Å²	115.5	74%	0.741	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-70.5	-6.3	-166.6	58.9	0	0	0	0	116.3	D273	D273-S275 PolarHBondContact O-N 2.73Å
276	Q	40.8	Very low	50.4	Low	174 Å²	174	122.4 Å²	122.4	81%	0.813	67%	0.671	S	S	*	*	G	3₁₀ helix	trans	-116.4	17.2	-178.3	-64.5	-165.8	-4.7	0	0	115.3	P274	P274-Q276 VanDerWaalsContact C-N 3.27Å; P274-Q276 PolarHBondContact O-N 2.71Å; P274-Q276 VanDerWaalsContact O-N 3.13Å
277	L	41	Very low	47.4	Very low	134 Å²	134	124.4 Å²	124.4	70%	0.702	70%	0.699	S	S	*	*	S	Bend	trans	-87.6	-8	-179	-111.1	154.6	0	0	0	115.3
278	N	38.4	Very low	44.3	Very low	162 Å²	162	134.2 Å²	134.2	87%	0.866	74%	0.741	S	S	*	*	S	Bend	trans	-131.8	82.7	178.2	-89.3	-13.2	0	0	0	112.4
279	S	39.5	Very low	41.3	Very low	102 Å²	102	140.9 Å²	140.9	71%	0.713	78%	0.776	S	S	*	*	S	Bend	trans	-173.4	81.1	156.2	34.7	0	0	0	0	112.8
280	K	37.3	Very low	38.3	Very low	213 Å²	213	145.3 Å²	145.3	93%	0.926	80%	0.798	S	S	*	*			trans	167.7	69.5	143.5	-92.2	164.6	-173.9	-177.5	0	111.1
281	Q	30.9	Very low	36.1	Very low	204 Å²	204	147.5 Å²	147.5	95%	0.953	81%	0.813	S	S	*	*			trans	-131.2	72.5	152.1	-148.3	161.1	-6	0	0	107	N283	Q281-N283 PolarHBondContact O-N 3.03Å
282	G	27.7	Very low	34.1	Very low	74 Å²	74	146.3 Å²	146.3	76%	0.763	81%	0.814	S	S	*	*			trans	-71.8	122	-173.6	0	0	0	0	0	111.3	G284	G282-G284 PolarHBondContact O-N 2.81Å
283	N	28.1	Very low	32.8	Very low	145 Å²	145	145.6 Å²	145.6	78%	0.775	82%	0.818	S	S	*	*			trans	-36.5	124.9	171.5	-143.6	36.9	0	0	0	113.2	Q281 K285	Q281-N283 PolarHBondContact O-N 3.03Å; N283-K285 PolarHBondContact O-N 2.89Å
284	G	30.2	Very low	32.3	Very low	74 Å²	74	148.2 Å²	148.2	76%	0.763	82%	0.824	S	S	*	*			trans	-71.1	111.6	163.3	0	0	0	0	0	108.8	G282	G282-G284 PolarHBondContact O-N 2.81Å
285	K	30.8	Very low	31.7	Very low	191 Å²	191	148 Å²	148	83%	0.83	83%	0.825	S	S	*	*			trans	-86	131.9	166.8	-87.7	-169.9	171	-173	0	109.3	N283	N283-K285 PolarHBondContact O-N 2.89Å
286	E	29.2	Very low	31.1	Very low	197 Å²	197	150.7 Å²	150.7	92%	0.921	83%	0.831	S	S	*	*			trans	-60.3	133	171.9	-63.7	159	117.8	0	0	110.1
287	A	27.9	Very low	30.6	Very low	105 Å²	105	150.4 Å²	150.4	87%	0.868	83%	0.829	S	S	*	*			trans	-96.9	110.6	170.4	0	0	0	0	0	108.9
288	K	27.9	Very low	30	Very low	207 Å²	207	149.8 Å²	149.8	90%	0.9	83%	0.827	S	S	*	*			trans	-96.3	144.7	163.8	-168.7	175.1	177.1	-174.5	0	108.9
289	L	28.5	Very low	29.5	Very low	152 Å²	152	148.7 Å²	148.7	80%	0.796	82%	0.821	S	S	*	*			trans	-78.5	171.2	-170.6	-129	88.2	0	0	0	113.8
290	E	25.8	Very low	28.8	Very low	184 Å²	184	150.5 Å²	150.5	86%	0.86	83%	0.828	S	S	*	*			trans	77.7	139.8	170.7	-56	179.2	156.5	0	0	115.9
291	S	29	Very low	28.3	Very low	123 Å²	123	144.1 Å²	144.1	86%	0.86	82%	0.815	S	S	*	*			cis	-143.8	177.5	1.7	55.8	0	0	0	0	111.3
292	A	27	Very low	28.1	Very low	97 Å²	97	143.5 Å²	143.5	80%	0.802	81%	0.812	S	S	*	*			trans	-99.9	145.8	-176.2	0	0	0	0	0	113.4
293	D	25.7	Very low	28.1	Very low	167 Å²	167	143.8 Å²	143.8	89%	0.893	82%	0.815	S	S	*	*			trans	-154.4	165.3	135.4	-146.5	-14	0	0	0	112
294	K	31.8	Very low	28.1	Very low	191 Å²	191	146.1 Å²	146.1	83%	0.83	82%	0.818	S	S	*	*			trans	-109.3	157.4	-175.9	-85.3	-177.8	172.5	-178.5	0	113.2
295	S	28.2	Very low	27.9	Very low	106 Å²	106	149.3 Å²	149.3	74%	0.741	82%	0.818	S	S	*	*			trans	134.3	149.7	152	59.1	0	0	0	0	111.3
296	D	28.5	Very low	27.7	Very low	162 Å²	162	145.8 Å²	145.8	87%	0.866	81%	0.808	S	S	*	*			cis	-154.8	171.4	-28.6	-108.6	-48	0	0	0	109
297	Q	30	Very low	27.8	Very low	168 Å²	168	143.1 Å²	143.1	79%	0.785	80%	0.796	S	S	*	*			trans	-87.2	142.7	-178.8	-62.3	177.7	-9.3	0	0	113.8
298	N	27.6	Very low	27.8	Very low	121 Å²	121	145.8 Å²	145.8	65%	0.647	79%	0.79	S	S	*	*				142.6	114	113.8	-94.9	-38.9	0	0	0	117
299	N	27.2	Very low	28.1	Very low	139 Å²	139	142 Å²	142	74%	0.743	78%	0.784	S	S	*	*				49.8	148.3	122.4	-75.1	-26.6	0	0	0	125.2
300	T	25.6	Very low	28.5	Very low	140 Å²	140	140.2 Å²	140.2	86%	0.859	78%	0.781	S	S	*	*			trans	78.4	139.5	162.4	3.5	0	0	0	0	115.6
301	A	27.8	Very low	28.5	Very low	80 Å²	80	139 Å²	139	66%	0.661	78%	0.776	S	S	*	*			cis	-149.2	164.1	15.1	0	0	0	0	0	115.6
302	E	26.1	Very low	28.4	Very low	191 Å²	191	139.4 Å²	139.4	89%	0.893	77%	0.769	S	S	*	*			trans	5.3	144.1	156.6	-55.6	-175.1	105.8	0	0	123.4
303	G	27.3	Very low	28.5	Very low	80 Å²	80	139.4 Å²	139.4	83%	0.825	76%	0.759	S	S	*	*			trans	-178.2	101.2	161.4	0	0	0	0	0	114.5
304	K	29.1	Very low	28.7	Very low	193 Å²	193	140.3 Å²	140.3	84%	0.839	76%	0.757	S	S	*	*			trans	-68.4	156.2	170.7	-60.3	162.1	-177.5	165.6	0	109
305	N	25.7	Very low	28.5	Very low	141 Å²	141	139.8 Å²	139.8	75%	0.754	76%	0.758	S	S	*	*				-178.9	154.9	56.8	-153.3	17.4	0	0	0	113.6
306	N	26.5	Very low	28.6	Very low	117 Å²	117	142.8 Å²	142.8	63%	0.626	77%	0.765	S	S	*	*			trans	11.9	138.8	152.6	-93.1	19.8	0	0	0	126
307	Q	30.5	Very low	28.5	Very low	141 Å²	141	138.9 Å²	138.9	66%	0.659	76%	0.763	S	S	*	*				87.1	120.7	124.8	-81.4	174.8	-49.4	0	0	124.4
308	Q	28.6	Very low	28.6	Very low	161 Å²	161	140.1 Å²	140.1	75%	0.752	77%	0.769	S	S	*	*				92.2	131.4	124	-84.8	167.4	-34.2	0	0	122.9
309	V	33.5	Very low	28.5	Very low	128 Å²	128	141.3 Å²	141.3	78%	0.776	78%	0.781	S	S	*	*			trans	-77.9	144.1	162.5	-172.8	0	0	0	0	108.5
310	P	37	Very low	28.8	Very low	114 Å²	114	144 Å²	144	74%	0.74	79%	0.786	S	S	*	*				-126.9	153.2	104.8	4.6	17.6	0	0	0	111
311	E	26.9	Very low	29.5	Very low	160 Å²	160	143 Å²	143	75%	0.748	78%	0.782	S	S	*	*			cis	96.9	138.3	36.1	-156.8	-173.9	-136.3	0	0	113.7
312	N	26.5	Very low	29.6	Very low	131 Å²	131	143.6 Å²	143.6	70%	0.701	79%	0.787	S	S	*	*			trans	80.8	155.8	172.5	-64.8	-66.4	0	0	0	120
313	T	28.4	Very low	29.7	Very low	97 Å²	97	140.3 Å²	140.3	60%	0.595	79%	0.785	S	S	*	*			cis	-178	136.1	-34	-88.5	0	0	0	0	107.9
314	E	30.2	Very low	29.9	Very low	185 Å²	185	143.9 Å²	143.9	86%	0.864	79%	0.785	S	S	*	*			trans	58.5	163.1	168	-71.2	166.8	164.5	0	0	117
315	E	28.2	Very low	30.6	Very low	181 Å²	181	139.5 Å²	139.5	85%	0.846	78%	0.776	S	S	*	*			cis	-149.6	-178.6	25.6	-150.3	-166.2	135.1	0	0	112.9
316	L	29.9	Very low	30.9	Very low	168 Å²	168	140.5 Å²	140.5	88%	0.88	78%	0.777	S	S	*	*			trans	-78.2	158.7	-179.3	-95.6	69.3	0	0	0	114.7
317	G	25.8	Very low	31.3	Very low	81 Å²	81	140.2 Å²	140.2	84%	0.835	78%	0.779	S	S	*	*			trans	-174.5	120.1	161.7	0	0	0	0	0	114.7
318	Q	31.4	Very low	31.2	Very low	193 Å²	193	139.4 Å²	139.4	90%	0.902	78%	0.783	S	S	*	*			trans	-89.3	150.5	178	-64.5	177.4	0.4	0	0	112.4
319	T	26.9	Very low	31.4	Very low	147 Å²	147	137.9 Å²	137.9	90%	0.902	78%	0.78	S	S	*	*			trans	-162.1	135.9	137.8	7.2	0	0	0	0	113.6
320	K	33.2	Very low	31.2	Very low	194 Å²	194	140 Å²	140	84%	0.843	78%	0.782	S	S	*	*			trans	-102.7	164.2	156.5	-97.2	-176.4	-176.6	-179.5	0	106.2
321	P	39.7	Very low	30.8	Very low	119 Å²	119	138.1 Å²	138.1	77%	0.773	78%	0.783	S	S	*	*			cis	-153.9	170.1	48.6	41.9	-20	0	0	0	120.1
322	A	29.3	Very low	30.8	Very low	94 Å²	94	134.3 Å²	134.3	78%	0.777	79%	0.787	S	S	*	*			trans	36.2	130.4	141.3	0	0	0	0	0	122.5
323	S	29.1	Very low	31.1	Very low	122 Å²	122	132.9 Å²	132.9	85%	0.853	79%	0.793	S	S	*	*				-160.6	138.1	108.1	40.1	0	0	0	0	112.5
324	N	32	Very low	31.5	Very low	154 Å²	154	136 Å²	136	82%	0.824	80%	0.799	S	S	*	*			trans	-148.2	129.7	167.8	-177.5	62.1	0	0	0	106.8
325	P	43.6	Very low	32.3	Very low	101 Å²	101	133.1 Å²	133.1	66%	0.656	80%	0.796	S	S	*	*			trans	-145.6	158.8	139.3	26	-4.2	0	0	0	112.3
326	Q	32.3	Very low	32.5	Very low	163 Å²	163	131 Å²	131	76%	0.762	79%	0.786	S	S	*	*			cis	-176.1	150.2	5	-124.1	-171.3	-46.3	0	0	113.3
327	V	34.9	Very low	32.8	Very low	111 Å²	111	130.2 Å²	130.2	67%	0.673	78%	0.782	S	S	*	*			trans	47.4	161.2	150.4	-129.7	0	0	0	0	119.4
328	V	28.7	Very low	33.1	Very low	123 Å²	123	129.7 Å²	129.7	75%	0.745	77%	0.77	S	S	*	*			cis	-148.7	132.2	22.2	-167.3	0	0	0	0	108.3
329	N	30.9	Very low	33.3	Very low	129 Å²	129	125.4 Å²	125.4	69%	0.69	76%	0.761	S	S	*	*				56.9	140.6	81.2	-112.1	39.5	0	0	0	113.4
330	E	30.9	Very low	33.7	Very low	173 Å²	173	126.6 Å²	126.6	81%	0.808	76%	0.757	S	S	*	*			cis	-144.4	-174.3	15.5	-50.4	-150.5	135.3	0	0	109.9
331	G	27.8	Very low	33.7	Very low	74 Å²	74	121.2 Å²	121.2	76%	0.763	75%	0.748	S	S	*	*			cis	161.3	153.1	-5	0	0	0	0	0	113.3
332	G	27.2	Very low	33.3	Very low	81 Å²	81	121.6 Å²	121.6	84%	0.835	75%	0.748	S	S	*	*			trans	83.2	157.4	169.5	0	0	0	0	0	117.4
333	A	32.1	Very low	33.5	Very low	101 Å²	101	126.2 Å²	126.2	84%	0.835	75%	0.754	S	S	*	*			cis	-160.2	154	-17.3	0	0	0	0	0	110.1
334	K	37.9	Very low	33.6	Very low	162 Å²	162	123.6 Å²	123.6	70%	0.704	75%	0.747	S	S	*	*			trans	-87.2	157.3	172.6	-157.7	-167.8	-177.2	-167.9	0	109.9	E336	K334-E336 IonicContact NZ-OE2 2.82Å; K334-E336 PolarHBondContact NZ-OE2 2.87Å
335	P	47.3	Very low	33.8	Very low	124 Å²	124	122.6 Å²	122.6	81%	0.805	75%	0.751	S	S	*	*				-136.7	178.9	125.5	34.9	-21.6	0	0	0	114.3
336	E	31.4	Very low	33.6	Very low	136 Å²	136	127.3 Å²	127.3	64%	0.636	76%	0.762	S	S	*	*			trans	-142.1	175.5	-164.8	-166.8	179.4	113.5	0	0	109.9	K334	K334-E336 IonicContact NZ-OE2 2.82Å; K334-E336 PolarHBondContact NZ-OE2 2.87Å
337	L	35.8	Very low	34	Very low	152 Å²	152	124.9 Å²	124.9	80%	0.796	76%	0.762	S	S	*	*			trans	73.4	156.2	176.4	-73.8	91.5	0	0	0	117.7
338	A	32.8	Very low	34.1	Very low	71 Å²	71	126.4 Å²	126.4	59%	0.587	77%	0.767	S	S	*	*			cis	-176.6	155.6	-30.4	0	0	0	0	0	110.4
339	S	36.4	Very low	34.8	Very low	103 Å²	103	128.6 Å²	128.6	72%	0.72	77%	0.769	S	S	*	*			trans	67.8	162.1	156.9	75.9	0	0	0	0	117.2
340	Q	34.5	Very low	35.5	Very low	172 Å²	172	130.7 Å²	130.7	80%	0.804	78%	0.78	S	S	*	*			cis	-164.3	156.5	16.2	-149.9	169.7	83.2	0	0	111.4
341	A	33.7	Very low	36.2	Very low	81 Å²	81	129 Å²	129	67%	0.669	78%	0.777	S	S	*	*			trans	56.1	154.7	144.6	0	0	0	0	0	121.3
342	T	31.2	Very low	37.3	Very low	126 Å²	126	132.4 Å²	132.4	77%	0.773	78%	0.777	S	S	*	*			cis	-163.8	171.6	-4	17.7	0	0	0	0	110.9
343	E	33.9	Very low	38.5	Very low	191 Å²	191	138 Å²	138	89%	0.893	80%	0.803	S	S	*	*			trans	86.1	138.8	160.9	-44.3	-163	148.9	0	0	117.3
344	G	30.3	Very low	38.8	Very low	68 Å²	68	139.9 Å²	139.9	70%	0.701	80%	0.801	S	S	*	*			cis	130.1	99	-3.5	0	0	0	0	0	113.4
345	S	37	Very low	38.8	Very low	132 Å²	132	138.7 Å²	138.7	92%	0.923	81%	0.807	S	S	*	*			trans	-177.8	150.5	149.7	-89.2	0	0	0	0	114.1
346	K	39.2	Very low	38.4	Very low	201 Å²	201	139.5 Å²	139.5	87%	0.874	81%	0.807	S	S	*	*			trans	-100.9	155.5	174.9	-64.5	171.4	173.2	177.7	0	110.8
347	S	40.4	Very low	38.8	Very low	111 Å²	111	139.7 Å²	139.7	78%	0.776	82%	0.817	S	S	*	*			trans	159.9	153.8	141.6	46.5	0	0	0	0	109.4
348	N	36.3	Very low	39	Very low	143 Å²	143	138.9 Å²	138.9	77%	0.765	82%	0.818	S	S	*	*			cis	-153	173.1	-22.4	-114.2	14.8	0	0	0	107.5
349	E	44	Very low	39.4	Very low	170 Å²	170	143.5 Å²	143.5	79%	0.794	83%	0.833	S	S	*	*			trans	-55.1	153.2	168	-63.4	146.3	114.1	0	0	112.3
350	N	44.9	Very low	39.6	Very low	173 Å²	173	146.4 Å²	146.4	93%	0.925	84%	0.841	S	S	*	*				-152.2	146.8	123.3	-116.7	-8.5	0	0	0	112.5
351	D	47.1	Very low	40	Very low	137 Å²	137	144.4 Å²	144.4	73%	0.733	84%	0.844	S	S	*	*			trans	-102.3	173.6	-169.7	-151.6	-17.8	0	0	0	111.2
352	L	50.3	Low	40.5	Very low	145 Å²	145	149.7 Å²	149.7	76%	0.759	86%	0.859	S	S	*	*			trans	57.1	108.3	157.4	-67.1	157.8	0	0	0	119.8
353	S	51.8	Low	41.4	Very low	199 Å²	199	151.8 Å²	151.8	100%	1.392	87%	0.867	S	S	*	*				-169.2	0	108.5	-74.1	0	0	0	0	111.5

Retrieved 353 of 353 residues in 539 ms (Link to these results)

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