A0A093HN32_STRCA Loading...

Fibroblast growth factor-binding protein 2

AlphaFold DB , UniProt , Accession A0A093HN32, Species STRCA (Struthio camelus australis), Gene n/a, Length 208 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	48.5	Very low	49.3	Very low	230 Å²	230	136.1 Å²	136.1	100%	1.133	73%	0.728	S	S	*	*				0	62	0	-64.9	174.7	-88.5	0	0	110.6
2	K	45.2	Very low	49.5	Very low	189 Å²	189	136.5 Å²	136.5	82%	0.822	73%	0.727	S	S	*	*			trans	-113.1	-1.6	-177	-63.3	177.2	179.1	174	0	112.8
3	S	51.4	Low	49.3	Very low	100 Å²	100	135.5 Å²	135.5	70%	0.699	74%	0.736	S	S	*	*	S	Bend	trans	-92.5	-10	-173.6	-152.3	0	0	0	0	113.9
4	V	52.3	Low	49.2	Very low	103 Å²	103	130.7 Å²	130.7	62%	0.624	73%	0.733	S	S	*	*	S	Bend	trans	-89.7	-23.6	-176.4	-175.7	0	0	0	0	111.8	L6	V4-L6 VanDerWaalsContact C-N 3.31Å; V4-L6 PolarHBondContact O-N 3.43Å
5	T	51.1	Low	49.6	Very low	101 Å²	101	134.7 Å²	134.7	62%	0.62	75%	0.747	S	S	*	*	H	α-helix	trans	-73.4	-22.9	178.9	-36	0	0	0	0	112.8
6	L	48	Very low	49.6	Very low	127 Å²	127	130.9 Å²	130.9	67%	0.665	75%	0.748	S	S	*	*	H	α-helix	trans	-76.3	-21.8	179	-104	112.1	0	0	0	113.7	V4	V4-L6 VanDerWaalsContact C-N 3.31Å; V4-L6 PolarHBondContact O-N 3.43Å
7	L	46.7	Very low	49.2	Very low	129 Å²	129	127.8 Å²	127.8	68%	0.675	75%	0.751	S	S	*	*	H	α-helix	trans	-79.8	-20.8	-179	-98.7	154.6	0	0	0	113.4
8	F	48.8	Very low	49	Very low	159 Å²	159	129.9 Å²	129.9	70%	0.697	76%	0.757	S	S	*	*	H	α-helix	trans	-83.5	-19.4	176.3	-84	-80.2	0	0	0	114.1
9	L	49.5	Very low	48.8	Very low	129 Å²	129	126.9 Å²	126.9	68%	0.675	76%	0.758	S	S	*	*	S	Bend	trans	-81.1	-13.4	178.9	-78.8	168.7	0	0	0	113.9
10	V	50.7	Low	48.7	Very low	112 Å²	112	129.1 Å²	129.1	68%	0.679	76%	0.76	S	S	*	*	S	Bend	trans	-88.1	-13	-178.8	-176.1	0	0	0	0	112.4
11	V	50.5	Low	48.4	Very low	118 Å²	118	132.6 Å²	132.6	72%	0.715	77%	0.765	S	S	*	*	S	Bend	trans	-92.4	-9.6	-174.8	-176.4	0	0	0	0	113.5
12	I	51.7	Low	47.9	Very low	141 Å²	141	129 Å²	129	72%	0.723	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-89.7	-9.9	-175.7	-56.2	177.8	0	0	0	113.2	G14	I12-G14 VanDerWaalsContact C-N 3.29Å; I12-G14 PolarHBondContact O-N 3.31Å
13	C	47	Very low	48.2	Very low	124 Å²	124	129 Å²	129	84%	0.838	75%	0.75	S	S	*	*	G	3₁₀ helix	trans	-83.6	6.9	179.7	-73.4	0	0	0	0	115.1
14	G	46.9	Very low	47.7	Very low	68 Å²	68	130.1 Å²	130.1	70%	0.701	76%	0.755	S	S	*	*	G	3₁₀ helix	trans	-93.2	-4.9	-174.2	0	0	0	0	0	116.9	I12	I12-G14 VanDerWaalsContact C-N 3.29Å; I12-G14 PolarHBondContact O-N 3.31Å
15	M	55.9	Low	47.4	Very low	191 Å²	191	135.2 Å²	135.2	94%	0.941	77%	0.769	S	S	*	*	S	Bend	trans	-130.4	72.6	-174.6	-64.7	-174	73.8	0	0	111.4
16	G	50.1	Low	47	Very low	74 Å²	74	138.6 Å²	138.6	76%	0.763	78%	0.775	S	S	*	*			trans	-164.3	37.3	-177	0	0	0	0	0	114.8
17	G	41.9	Very low	46.6	Very low	77 Å²	77	144 Å²	144	79%	0.794	79%	0.787	S	S	*	*			trans	-105.4	81	169.4	0	0	0	0	0	110.3	G19	G17-G19 PolarHBondContact O-N 2.92Å
18	L	46.1	Very low	46.8	Very low	166 Å²	166	143.8 Å²	143.8	87%	0.869	80%	0.796	S	S	*	*			trans	-50	122.7	167.2	-93.3	107.4	0	0	0	109	Q20	L18-Q20 PolarHBondContact O-N 3.17Å
19	G	44.1	Very low	46.5	Very low	74 Å²	74	143.2 Å²	143.2	76%	0.763	80%	0.8	S	S	*	*			trans	-53.1	106.8	167.7	0	0	0	0	0	109.2	G17 K21	G17-G19 PolarHBondContact O-N 2.92Å; G19-K21 PolarHBondContact O-N 2.68Å
20	Q	46.8	Very low	46.8	Very low	170 Å²	170	139.2 Å²	139.2	79%	0.794	79%	0.789	S	S	*	*			trans	-64.1	109.4	161.7	-65.2	-177.2	34.6	0	0	105.4	L18 L22	L18-Q20 PolarHBondContact O-N 3.17Å; Q20-L22 PolarHBondContact O-N 3.48Å
21	K	43.1	Very low	47.9	Very low	203 Å²	203	140.4 Å²	140.4	88%	0.883	79%	0.788	S	S	*	*			trans	-56.9	91.2	157	-100.8	-135.3	-179.6	-174.1	0	106	G19 K23	G19-K21 PolarHBondContact O-N 2.68Å; K21-K23 PolarHBondContact O-N 3Å
22	L	39.1	Very low	49.7	Very low	155 Å²	155	140 Å²	140	81%	0.812	78%	0.778	S	S	*	*			trans	-57.8	98.8	161.8	-74.2	165.1	0	0	0	104.9	Q20	Q20-L22 PolarHBondContact O-N 3.48Å
23	K	49.8	Very low	51.7	Low	187 Å²	187	134.6 Å²	134.6	81%	0.813	75%	0.75	S	S	*	*			trans	-49.6	130.8	163.7	-71.4	-160.8	176.2	-172.5	0	105.7	K21 K25	K21-K23 PolarHBondContact O-N 3Å; K23-K25 PolarHBondContact O-N 3.38Å
24	P	42.2	Very low	54	Low	125 Å²	125	133.2 Å²	133.2	81%	0.812	74%	0.735	S	S	*	*			trans	-53.5	114.9	-177.6	19.3	-30.1	0	0	0	108	K26	P24-K26 PolarHBondContact O-N 3.37Å
25	K	46	Very low	56.3	Low	209 Å²	209	130.5 Å²	130.5	91%	0.909	70%	0.703	S	S	*	*			trans	-66.6	87.3	175.3	-172.7	169.5	-179	170.5	0	106.5	K23 R27	K23-K25 PolarHBondContact O-N 3.38Å; K25-R27 PolarHBondContact O-N 2.98Å
26	K	42.8	Very low	58.2	Low	172 Å²	172	129.1 Å²	129.1	75%	0.748	69%	0.688	S	S	*	*			trans	-61.3	130.5	177.7	-151.3	177.5	-176.5	-174.3	0	107	P24 S28	P24-K26 PolarHBondContact O-N 3.37Å; K26-S28 PolarHBondContact O-N 3.35Å
27	R	39.9	Very low	60.3	Low	242 Å²	242	126 Å²	126	91%	0.913	65%	0.654	S	S	*	*			trans	-42.3	132.8	-176.6	-83.6	179.1	174.2	167.9	-2.7	111.4	K25 N29	K25-R27 PolarHBondContact O-N 2.98Å; R27-N29 PolarHBondContact O-N 3.09Å
28	S	50.4	Low	62.8	Low	124 Å²	124	129.4 Å²	129.4	87%	0.867	65%	0.647	S	S	*	*	S	Bend	trans	-54.9	100.5	173.5	54.1	0	0	0	0	111.6	K26	K26-S28 PolarHBondContact O-N 3.35Å
29	N	41.8	Very low	65.1	Low	147 Å²	147	123.2 Å²	123.2	79%	0.786	62%	0.619	S	S	*	*	S	Bend	trans	-164.4	90.3	138.3	-155.8	0.2	0	0	0	109	R27	R27-N29 PolarHBondContact O-N 3.09Å
30	G	55.1	Low	67.5	Low	44 Å²	44	127.4 Å²	127.4	45%	0.454	62%	0.617	S	S	.	*	S	Bend	trans	147.8	81.4	-174.4	0	0	0	0	0	109.2	E32	G30-E32 PolarHBondContact O-N 3.24Å; G30-E32 VanDerWaalsContact O-N 3.13Å
31	E	74.3	Confident	69.8	Low	138 Å²	138	119.3 Å²	119.3	65%	0.645	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-53.5	117.7	170.5	-167.6	179.1	159.3	0	0	107.5	I33 K85	E31-I33 PolarHBondContact O-N 2.82Å; E31-K85 IonicContact OE1-NZ 3.85Å; E31-K85 IonicContact OE2-NZ 2.68Å; E31-K85 PolarHBondContact OE2-NZ 2.84Å
32	E	89	Confident	72.3	Confident	110 Å²	110	113 Å²	113	51%	0.514	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-66	123.5	176.9	-174.6	-179.3	110.3	0	0	108.6	G30 T44	G30-E32 PolarHBondContact O-N 3.24Å; G30-E32 VanDerWaalsContact O-N 3.13Å; E32-T44 HydrophobicContact CG-CG2 3.22Å; E32-T44 WeakPolarHBondContact OE1-CG2 3.42Å
33	I	93.3	Very high	75.1	Confident	26 Å²	26	105.6 Å²	105.6	13%	0.133	52%	0.518	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	117.4	-176.3	-65.9	162.8	0	0	0	108.9	E31 M45 W88 A92	E31-I33 PolarHBondContact O-N 2.82Å; I33-M45 HydrophobicContact CB-CB 4.28Å; I33-M45 HydrophobicContact CB-CE 3.83Å; I33-M45 HydrophobicContact CD1-CE 3.38Å; I33-M45 HydrophobicContact CG1-CE 4.15Å; I33-M45 HydrophobicContact CG2-CE 4.13Å; I33-M45 PolarHBondContact N-O 2.91Å; I33-M45 WeakPolarHBondContact O-CB 3.48Å; I33-M45 PolarHBondContact O-N 3.07Å; I33-W88 HydrophobicContact CD1-CB 3.76Å; I33-A92 HydrophobicContact CG2-CB 3.98Å
34	N	95	Very high	77.3	Confident	96 Å²	96	98.2 Å²	98.2	51%	0.513	49%	0.489	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	138.9	176.4	-68.1	-73.1	0	0	0	110.9	C43 T44	N34-C43 WeakPolarHBondContact CA-O 3.44Å; N34-T44 PolarHBondContact OD1-OG1 3.34Å
35	F	95.1	Very high	79.8	Confident	10 Å²	10	92.3 Å²	92.3	4%	0.044	45%	0.451	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	168.2	179	68.8	-82.1	0	0	0	112.1	T37 C43 M45 I57 L95 R96 A101	F35-T37 HydrophobicContact CE2-CG2 4.15Å; F35-C43 HydrophobicContact CD1-CB 4Å; F35-C43 HydrophobicContact CD2-CB 4.02Å; F35-C43 HydrophobicContact CE1-CB 3.55Å; F35-C43 HydrophobicContact CE2-CB 3.59Å; F35-C43 HydrophobicContact CG-CB 4.21Å; F35-C43 HydrophobicContact CZ-CB 3.34Å; F35-C43 PolarHBondContact N-O 3.43Å; F35-C43 PolarHBondContact O-N 3.09Å; F35-C43 VanDerWaalsContact O-O 3.13Å; F35-M45 HydrophobicContact CD1-CB 4.44Å; F35-M45 HydrophobicContact CE1-CB 4.02Å; F35-I57 HydrophobicContact CE1-CG2 4.44Å; F35-I57 HydrophobicContact CZ-CG2 4.05Å; F35-L95 HydrophobicContact CD2-CB 4.34Å; F35-L95 HydrophobicContact CE1-CD1 4.21Å; F35-L95 HydrophobicContact CE2-CB 3.58Å; F35-L95 HydrophobicContact CZ-CB 3.75Å; F35-L95 HydrophobicContact CZ-CD1 3.84Å; F35-L95 HydrophobicContact CZ-CG 4.38Å; F35-R96 HydrophobicContact CB-CG 3.85Å; F35-R96 HydrophobicContact CD2-CG 3.81Å; F35-R96 HydrophobicContact CG-CG 4.22Å; F35-A101 HydrophobicContact CE2-CB 4.35Å; F35-A101 HydrophobicContact CZ-CB 4.27Å
36	R	95.9	Very high	82.1	Confident	163 Å²	163	84.3 Å²	84.3	62%	0.615	42%	0.421	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.4	137.9	174.4	-66.9	178.3	-178.9	-99.2	3.4	110.3	D41 R96	R36-D41 VanDerWaalsContact CA-O 3.24Å; R36-D41 WeakPolarHBondContact CA-O 3.5Å; R36-R96 WeakPolarHBondContact O-CG 3.44Å
37	T	95.3	Very high	84.6	Confident	9 Å²	9	77.3 Å²	77.3	6%	0.055	39%	0.393	C	S	.	.			trans	-79.8	175	174.9	65	0	0	0	0	111.2	F35 A39 K40 D41 L98 P99 A101	F35-T37 HydrophobicContact CE2-CG2 4.15Å; T37-A39 VanDerWaalsContact C-N 3.25Å; T37-A39 PolarHBondContact O-N 2.8Å; T37-A39 PolarHBondContact OG1-N 3.03Å; T37-K40 WeakPolarHBondContact O-CA 3.34Å; T37-K40 PolarHBondContact O-N 3.32Å; T37-D41 HydrophobicContact CG2-CB 4.11Å; T37-D41 PolarHBondContact N-O 2.83Å; T37-D41 WeakPolarHBondContact OG1-CB 3.33Å; T37-D41 PolarHBondContact OG1-N 2.74Å; T37-D41 VanDerWaalsContact OG1-N 3.08Å; T37-D41 PolarHBondContact OG1-OD2 3.02Å; T37-D41 VanDerWaalsContact OG1-OD2 3.1Å; T37-L98 WeakPolarHBondContact CB-O 3.16Å; T37-P99 WeakPolarHBondContact CB-O 3.02Å; T37-P99 PolarHBondContact OG1-O 2.78Å; T37-A101 HydrophobicContact CG2-CB 4.07Å
38	K	94.3	Very high	87	Confident	147 Å²	147	67.7 Å²	67.7	64%	0.639	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-32.7	172.7	-74.1	-176.3	175.6	159.3	0	112.8	K40 K97 L98	K38-K40 PolarHBondContact O-N 3.27Å; K38-K97 WeakPolarHBondContact CD-O 3.43Å; K38-K97 WeakPolarHBondContact CE-O 3.31Å; K38-K97 PolarHBondContact NZ-O 3Å; K38-L98 PolarHBondContact N-O 3.35Å
39	A	93.8	Very high	88.9	Confident	36 Å²	36	63.9 Å²	63.9	30%	0.298	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.7	4.3	173.7	0	0	0	0	0	113.2	T37 D41 P99	T37-A39 VanDerWaalsContact C-N 3.25Å; T37-A39 PolarHBondContact O-N 2.8Å; T37-A39 PolarHBondContact OG1-N 3.03Å; A39-D41 PolarHBondContact O-N 3.1Å; A39-P99 WeakPolarHBondContact CB-O 3.4Å; A39-P99 PolarHBondContact N-O 3.06Å
40	K	94.6	Very high	90.9	Very high	163 Å²	163	63.3 Å²	63.3	71%	0.709	34%	0.34	S	S	*	.			trans	66	21.6	-177.6	-52.6	178.2	179.5	176.7	0	114	T37 K38 V42	T37-K40 WeakPolarHBondContact O-CA 3.34Å; T37-K40 PolarHBondContact O-N 3.32Å; K38-K40 PolarHBondContact O-N 3.27Å; K40-V42 PolarHBondContact O-N 2.92Å
41	D	95.4	Very high	92.3	Very high	0 Å²	0	68.7 Å²	68.7	0%	0	35%	0.353	C	S	.	.			trans	-61	136	171.5	-48.9	-28.2	0	0	0	108.9	R36 T37 A39 C59 N61 Y66 H100	R36-D41 VanDerWaalsContact CA-O 3.24Å; R36-D41 WeakPolarHBondContact CA-O 3.5Å; T37-D41 HydrophobicContact CG2-CB 4.11Å; T37-D41 PolarHBondContact N-O 2.83Å; T37-D41 WeakPolarHBondContact OG1-CB 3.33Å; T37-D41 PolarHBondContact OG1-N 2.74Å; T37-D41 VanDerWaalsContact OG1-N 3.08Å; T37-D41 PolarHBondContact OG1-OD2 3.02Å; T37-D41 VanDerWaalsContact OG1-OD2 3.1Å; A39-D41 PolarHBondContact O-N 3.1Å; D41-C59 HydrophobicContact CB-CB 4.43Å; D41-N61 HydrophobicContact CB-CB 4.35Å; D41-N61 WeakPolarHBondContact OD1-CB 3.46Å; D41-N61 VanDerWaalsContact OD1-CG 3.23Å; D41-N61 PolarHBondContact OD1-ND2 3.36Å; D41-Y66 HydrophobicContact CB-CE1 4.38Å; D41-Y66 PolarHBondContact OD2-OH 2.88Å; D41-H100 IonicContact OD1-ND1 3.67Å; D41-H100 IonicContact OD2-CE1 2.74Å; D41-H100 IonicContact OD2-CG 2.78Å; D41-H100 IonicContact OD2-ND1 3.74Å; D41-H100 PolarHBondContact OD2-ND1 3.43Å
42	V	96.3	Very high	93.2	Very high	69 Å²	69	67 Å²	67	42%	0.418	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	114.3	174.3	179.2	0	0	0	0	107.7	K40 C59 K60	K40-V42 PolarHBondContact O-N 2.92Å; V42-C59 CarbonylContact O-C 3.48Å; V42-C59 VanDerWaalsContact O-CA 3.32Å; V42-C59 WeakPolarHBondContact O-CA 3.3Å; V42-K60 PolarHBondContact N-O 3.16Å; V42-K60 PolarHBondContact O-N 3.49Å
43	C	96.2	Very high	93.4	Very high	0 Å²	0	62.9 Å²	62.9	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	148.9	-173.7	-61.4	0	0	0	0	113	N34 F35 E58 C59	N34-C43 WeakPolarHBondContact CA-O 3.44Å; F35-C43 HydrophobicContact CD1-CB 4Å; F35-C43 HydrophobicContact CD2-CB 4.02Å; F35-C43 HydrophobicContact CE1-CB 3.55Å; F35-C43 HydrophobicContact CE2-CB 3.59Å; F35-C43 HydrophobicContact CG-CB 4.21Å; F35-C43 HydrophobicContact CZ-CB 3.34Å; F35-C43 PolarHBondContact N-O 3.43Å; F35-C43 PolarHBondContact O-N 3.09Å; F35-C43 VanDerWaalsContact O-O 3.13Å; C43-E58 CarbonylContact C-O 3.56Å; C43-E58 WeakPolarHBondContact CA-O 3.42Å; C43-C59 HydrophobicContact CB-CB 4.13Å; C43-C59 WeakPolarHBondContact CB-SG 3.45Å; C43-C59 WeakPolarHBondContact SG-CB 3.42Å; C43-C59 CovalentContact SG-SG 2.04Å; C43-C59 PolarHBondContact SG-SG 3.38Å
44	T	96.3	Very high	93.5	Very high	32 Å²	32	67 Å²	67	20%	0.196	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.9	-178.7	-62.4	0	0	0	0	109	E32 N34 I57 E58	E32-T44 HydrophobicContact CG-CG2 3.22Å; E32-T44 WeakPolarHBondContact OE1-CG2 3.42Å; N34-T44 PolarHBondContact OD1-OG1 3.34Å; T44-I57 WeakPolarHBondContact O-CA 3.46Å; T44-E58 PolarHBondContact N-O 3.25Å; T44-E58 PolarHBondContact O-N 3.25Å
45	M	94.9	Very high	93.5	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	121.9	179.4	-173.5	174	74.9	0	0	109.9	I33 F35 L55 I57 W88 I91 A92 L95	I33-M45 HydrophobicContact CB-CB 4.28Å; I33-M45 HydrophobicContact CB-CE 3.83Å; I33-M45 HydrophobicContact CD1-CE 3.38Å; I33-M45 HydrophobicContact CG1-CE 4.15Å; I33-M45 HydrophobicContact CG2-CE 4.13Å; I33-M45 PolarHBondContact N-O 2.91Å; I33-M45 WeakPolarHBondContact O-CB 3.48Å; I33-M45 PolarHBondContact O-N 3.07Å; F35-M45 HydrophobicContact CD1-CB 4.44Å; F35-M45 HydrophobicContact CE1-CB 4.02Å; M45-L55 HydrophobicContact CG-CD1 3.33Å; M45-L55 HydrophobicContact CG-CG 4.18Å; M45-L55 HydrophobicContact SD-CD1 3.77Å; M45-L55 HydrophobicContact SD-CD2 4.3Å; M45-I57 HydrophobicContact CG-CG1 4.4Å; M45-W88 HydrophobicContact CE-CB 4.08Å; M45-W88 WeakPolarHBondContact CE-O 3.41Å; M45-I91 HydrophobicContact SD-CG2 4.03Å; M45-A92 HydrophobicContact CE-CB 4Å; M45-L95 HydrophobicContact SD-CD1 3.93Å
46	S	94.8	Very high	93.6	Very high	41 Å²	41	65.8 Å²	65.8	29%	0.287	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.5	-179.4	62.7	0	0	0	0	111.3	L55 R56	S46-L55 WeakPolarHBondContact O-CA 3.29Å; S46-R56 PolarHBondContact N-O 3.47Å; S46-R56 PolarHBondContact O-N 3.03Å; S46-R56 PolarHBondContact OG-O 3.3Å
47	V	94.2	Very high	93.6	Very high	26 Å²	26	58 Å²	58	16%	0.158	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	140.2	-178	-176.4	0	0	0	0	108.9	K54 L55 W88	V47-K54 CarbonylContact C-O 3.55Å; V47-L55 HydrophobicContact CG2-CD1 3.76Å; V47-W88 HydrophobicContact CB-CZ2 4.33Å; V47-W88 HydrophobicContact CG1-CH2 3.93Å; V47-W88 HydrophobicContact CG1-CZ2 3.45Å; V47-W88 VanDerWaalsContact CG1-CZ2 3.45Å; V47-W88 HydrophobicContact CG2-CD2 3.72Å; V47-W88 HydrophobicContact CG2-CE3 3.9Å; V47-W88 HydrophobicContact CG2-CG 4.32Å; V47-W88 HydrophobicContact CG2-CH2 4.04Å; V47-W88 HydrophobicContact CG2-CZ2 3.85Å; V47-W88 HydrophobicContact CG2-CZ3 4.06Å
48	S	92.2	Very high	93.6	Very high	40 Å²	40	61.8 Å²	61.8	28%	0.28	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	158	173.9	58.3	0	0	0	0	111.6	M53 K54	S48-M53 CarbonylContact O-C 3.59Å; S48-M53 WeakPolarHBondContact O-CA 3.03Å; S48-K54 PolarHBondContact N-O 3.21Å; S48-K54 PolarHBondContact O-N 2.85Å; S48-K54 PolarHBondContact OG-O 2.01Å
49	G	89.7	Confident	93.7	Very high	44 Å²	44	54.9 Å²	54.9	45%	0.454	29%	0.289	S	S	.	.			trans	89.5	159.8	-177.5	0	0	0	0	0	113.2
50	D	82.7	Confident	93.7	Very high	135 Å²	135	58.7 Å²	58.7	72%	0.722	30%	0.299	S	S	*	.	S	Bend	trans	-110.2	-63.5	-173.4	-62.2	-51.4	0	0	0	112	M53	D50-M53 WeakPolarHBondContact O-CE 3.41Å
51	E	86.3	Confident	93.6	Very high	156 Å²	156	52.9 Å²	52.9	73%	0.729	28%	0.275	S	S	*	.	S	Bend	trans	-81.5	-55.6	179.3	-66.5	-165.3	161.9	0	0	112.7
52	E	92.8	Very high	93.2	Very high	102 Å²	102	61.5 Å²	61.5	48%	0.477	32%	0.316	S	S	.	.	S	Bend	trans	-99.8	107.9	168.4	-174.9	172.4	-158	0	0	108.1	T71	E52-T71 VanDerWaalsContact CD-OG1 3.29Å; E52-T71 WeakPolarHBondContact CG-OG1 3.21Å; E52-T71 PolarHBondContact OE1-OG1 3.14Å
53	M	93.4	Very high	92.6	Very high	24 Å²	24	60.1 Å²	60.1	12%	0.118	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.9	-176.5	-64.5	-175.2	175.6	0	0	109.8	S48 D50 T71 G72 P74 F80 W88 M122	S48-M53 CarbonylContact O-C 3.59Å; S48-M53 WeakPolarHBondContact O-CA 3.03Å; D50-M53 WeakPolarHBondContact O-CE 3.41Å; M53-T71 WeakPolarHBondContact O-CA 3.24Å; M53-G72 PolarHBondContact N-O 3.12Å; M53-G72 PolarHBondContact O-N 3.31Å; M53-P74 HydrophobicContact CB-CG 4.45Å; M53-P74 HydrophobicContact SD-CB 4.34Å; M53-P74 HydrophobicContact SD-CG 3.93Å; M53-F80 HydrophobicContact CE-CE1 3.67Å; M53-F80 HydrophobicContact CE-CZ 3.6Å; M53-F80 HydrophobicContact SD-CE1 4.05Å; M53-F80 HydrophobicContact SD-CE2 4.36Å; M53-F80 HydrophobicContact SD-CZ 3.51Å; M53-F80 VanDerWaalsContact SD-CZ 3.51Å; M53-W88 HydrophobicContact SD-CH2 4.49Å; M53-W88 HydrophobicContact SD-CZ2 3.8Å; M53-M122 WeakPolarHBondContact O-CE 3.24Å
54	K	94.9	Very high	92.3	Very high	112 Å²	112	65.8 Å²	65.8	49%	0.487	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	125.3	172.2	-65.4	-176.7	-178.6	-176.8	0	109.8	V47 S48 F70	V47-K54 CarbonylContact C-O 3.55Å; S48-K54 PolarHBondContact N-O 3.21Å; S48-K54 PolarHBondContact O-N 2.85Å; S48-K54 PolarHBondContact OG-O 2.01Å; K54-F70 CarbonylContact C-O 3.56Å; K54-F70 VanDerWaalsContact CA-O 3.31Å; K54-F70 WeakPolarHBondContact CA-O 3.03Å
55	L	95.1	Very high	92.2	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	122.3	175.2	179.1	74.5	0	0	0	108.8	M45 S46 V47 I57 E69 F70 W88 I91 L108 M122	M45-L55 HydrophobicContact CG-CD1 3.33Å; M45-L55 HydrophobicContact CG-CG 4.18Å; M45-L55 HydrophobicContact SD-CD1 3.77Å; M45-L55 HydrophobicContact SD-CD2 4.3Å; S46-L55 WeakPolarHBondContact O-CA 3.29Å; V47-L55 HydrophobicContact CG2-CD1 3.76Å; L55-I57 HydrophobicContact CD2-CD1 4.4Å; L55-I57 HydrophobicContact CG-CG1 4.45Å; L55-E69 CarbonylContact O-C 3.55Å; L55-E69 WeakPolarHBondContact O-CA 3.45Å; L55-F70 HydrophobicContact CB-CB 4.23Å; L55-F70 HydrophobicContact CD2-CD2 4.42Å; L55-F70 PolarHBondContact N-O 3.41Å; L55-F70 PolarHBondContact O-N 2.84Å; L55-W88 HydrophobicContact CB-CZ3 4.36Å; L55-W88 HydrophobicContact CD1-CE3 4Å; L55-W88 HydrophobicContact CD1-CH2 4.45Å; L55-W88 HydrophobicContact CD1-CZ3 3.68Å; L55-W88 HydrophobicContact CD2-CZ3 4.17Å; L55-W88 HydrophobicContact CG-CZ3 4.31Å; L55-I91 HydrophobicContact CD2-CG2 4.06Å; L55-L108 HydrophobicContact CD2-CD1 3.73Å; L55-M122 HydrophobicContact CB-CE 3.4Å; L55-M122 VanDerWaalsContact CB-CE 3.4Å
56	R	95.8	Very high	92.2	Very high	80 Å²	80	66.6 Å²	66.6	30%	0.302	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	127.9	175.5	-178.3	162.9	174.6	135.4	-3.1	110.1	S46 E58 E69	S46-R56 PolarHBondContact N-O 3.47Å; S46-R56 PolarHBondContact O-N 3.03Å; S46-R56 PolarHBondContact OG-O 3.3Å; R56-E58 HydrophobicContact CG-CG 4.17Å; R56-E58 IonicContact CZ-OE1 3.88Å; R56-E58 VanDerWaalsContact CZ-OE1 3.3Å; R56-E58 IonicContact NE-OE1 2.67Å; R56-E58 PolarHBondContact NE-OE1 3.36Å; R56-E58 IonicContact NH2-OE1 3.28Å; R56-E58 PolarHBondContact NH2-OE1 2.8Å; R56-E69 HydrophobicContact CB-CG 4.17Å; R56-E69 WeakPolarHBondContact CD-OE1 3.14Å; R56-E69 HydrophobicContact CG-CG 4.02Å; R56-E69 IonicContact CZ-OE1 3.77Å; R56-E69 IonicContact NE-OE1 2.86Å; R56-E69 IonicContact NH1-OE1 3.86Å; R56-E69 PolarHBondContact NH1-OE1 3.1Å
57	I	95.8	Very high	92.2	Very high	0 Å²	0	67.5 Å²	67.5	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	125.5	177.1	-58.3	169.4	0	0	0	107.1	F35 T44 M45 L55 W67 C68 F70 L95 A101 L108	F35-I57 HydrophobicContact CE1-CG2 4.44Å; F35-I57 HydrophobicContact CZ-CG2 4.05Å; T44-I57 WeakPolarHBondContact O-CA 3.46Å; M45-I57 HydrophobicContact CG-CG1 4.4Å; L55-I57 HydrophobicContact CD2-CD1 4.4Å; L55-I57 HydrophobicContact CG-CG1 4.45Å; I57-W67 CarbonylContact O-C 3.57Å; I57-W67 WeakPolarHBondContact O-CA 3.41Å; I57-W67 WeakPolarHBondContact O-CB 3.41Å; I57-C68 PolarHBondContact N-O 3.18Å; I57-C68 PolarHBondContact O-N 2.87Å; I57-F70 HydrophobicContact CD1-CD2 4.27Å; I57-F70 HydrophobicContact CD1-CE2 3.76Å; I57-L95 HydrophobicContact CD1-CD1 3.43Å; I57-L95 VanDerWaalsContact CD1-CD1 3.43Å; I57-L95 HydrophobicContact CD1-CD2 3.66Å; I57-L95 HydrophobicContact CD1-CG 4.19Å; I57-L95 HydrophobicContact CG1-CD1 4.23Å; I57-A101 HydrophobicContact CG2-CB 4.07Å; I57-L108 HydrophobicContact CD1-CD1 4.4Å
58	E	95.8	Very high	92.3	Very high	89 Å²	89	66.2 Å²	66.2	42%	0.416	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	129.8	174.9	-60.5	-172.2	159.8	0	0	108.4	C43 T44 R56 W67	C43-E58 CarbonylContact C-O 3.56Å; C43-E58 WeakPolarHBondContact CA-O 3.42Å; T44-E58 PolarHBondContact N-O 3.25Å; T44-E58 PolarHBondContact O-N 3.25Å; R56-E58 HydrophobicContact CG-CG 4.17Å; R56-E58 IonicContact CZ-OE1 3.88Å; R56-E58 VanDerWaalsContact CZ-OE1 3.3Å; R56-E58 IonicContact NE-OE1 2.67Å; R56-E58 PolarHBondContact NE-OE1 3.36Å; R56-E58 IonicContact NH2-OE1 3.28Å; R56-E58 PolarHBondContact NH2-OE1 2.8Å; E58-W67 HydrophobicContact CG-CB 4.18Å
59	C	96.1	Very high	92.4	Very high	1 Å²	1	66.7 Å²	66.7	1%	0.007	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	146.8	-176.4	-67.6	0	0	0	0	110.8	D41 V42 C43 S65 Y66	D41-C59 HydrophobicContact CB-CB 4.43Å; V42-C59 CarbonylContact O-C 3.48Å; V42-C59 VanDerWaalsContact O-CA 3.32Å; V42-C59 WeakPolarHBondContact O-CA 3.3Å; C43-C59 HydrophobicContact CB-CB 4.13Å; C43-C59 WeakPolarHBondContact CB-SG 3.45Å; C43-C59 WeakPolarHBondContact SG-CB 3.42Å; C43-C59 CovalentContact SG-SG 2.04Å; C43-C59 PolarHBondContact SG-SG 3.38Å; C59-S65 CarbonylContact O-C 3.53Å; C59-S65 VanDerWaalsContact O-CA 3.25Å; C59-S65 WeakPolarHBondContact O-CA 3.43Å; C59-Y66 HydrophobicContact CB-CD1 3.93Å; C59-Y66 HydrophobicContact CB-CD2 3.9Å; C59-Y66 HydrophobicContact CB-CE1 3.48Å; C59-Y66 VanDerWaalsContact CB-CE1 3.48Å; C59-Y66 HydrophobicContact CB-CE2 3.42Å; C59-Y66 VanDerWaalsContact CB-CE2 3.42Å; C59-Y66 HydrophobicContact CB-CG 4.14Å; C59-Y66 PolarHBondContact N-O 3.15Å; C59-Y66 PolarHBondContact O-N 3.48Å
60	K	95.3	Very high	92.7	Very high	117 Å²	117	64.6 Å²	64.6	51%	0.509	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.2	176.9	-63.9	-173.1	173.5	-127.5	0	111	V42 K64 E132	V42-K60 PolarHBondContact N-O 3.16Å; V42-K60 PolarHBondContact O-N 3.49Å; K60-K64 WeakPolarHBondContact CA-O 3.14Å; K60-E132 IonicContact NZ-OE1 3.42Å; K60-E132 PolarHBondContact NZ-OE1 2.93Å
61	N	91.9	Very high	93.4	Very high	40 Å²	40	59.3 Å²	59.3	21%	0.214	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	123.6	173.4	-174.4	-4.7	0	0	0	110.1	D41 G63 K64	D41-N61 HydrophobicContact CB-CB 4.35Å; D41-N61 WeakPolarHBondContact OD1-CB 3.46Å; D41-N61 VanDerWaalsContact OD1-CG 3.23Å; D41-N61 PolarHBondContact OD1-ND2 3.36Å; N61-G63 VanDerWaalsContact C-N 3.33Å; N61-G63 PolarHBondContact O-N 3.38Å; N61-G63 VanDerWaalsContact O-N 3.13Å; N61-K64 PolarHBondContact N-O 2.89Å; N61-K64 WeakPolarHBondContact O-CB 3.43Å; N61-K64 PolarHBondContact O-N 2.91Å
62	Q	86.4	Confident	93.8	Very high	182 Å²	182	52.2 Å²	52.2	85%	0.85	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	44.5	50.4	169.3	-70.7	169.8	75.1	0	0	114.4	K64	Q62-K64 VanDerWaalsContact C-N 3.28Å; Q62-K64 PolarHBondContact O-N 3.13Å
63	G	84.4	Confident	93.9	Very high	39 Å²	39	51.4 Å²	51.4	40%	0.402	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	75.2	12.3	178.9	0	0	0	0	0	114.9	N61 E132	N61-G63 VanDerWaalsContact C-N 3.33Å; N61-G63 PolarHBondContact O-N 3.38Å; N61-G63 VanDerWaalsContact O-N 3.13Å; G63-E132 WeakPolarHBondContact O-CA 3.24Å; G63-E132 WeakPolarHBondContact O-CB 3.39Å; G63-E132 WeakPolarHBondContact O-CG 3.4Å; G63-E132 PolarHBondContact O-N 2.77Å
64	K	90.1	Very high	93.9	Very high	120 Å²	120	50.3 Å²	50.3	52%	0.522	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	137	169.1	-63.2	176.4	-178.5	-177.5	0	108.6	K60 N61 Q62 M129	K60-K64 WeakPolarHBondContact CA-O 3.14Å; N61-K64 PolarHBondContact N-O 2.89Å; N61-K64 WeakPolarHBondContact O-CB 3.43Å; N61-K64 PolarHBondContact O-N 2.91Å; Q62-K64 VanDerWaalsContact C-N 3.28Å; Q62-K64 PolarHBondContact O-N 3.13Å; K64-M129 HydrophobicContact CB-CE 3.89Å; K64-M129 HydrophobicContact CD-CE 3.71Å; K64-M129 HydrophobicContact CG-CE 4.21Å
65	S	93.4	Very high	93.8	Very high	25 Å²	25	46.9 Å²	46.9	18%	0.175	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	144.1	170.4	71.3	0	0	0	0	110	C59 M129 E130	C59-S65 CarbonylContact O-C 3.53Å; C59-S65 VanDerWaalsContact O-CA 3.25Å; C59-S65 WeakPolarHBondContact O-CA 3.43Å; S65-M129 WeakPolarHBondContact O-CA 3.21Å; S65-E130 PolarHBondContact N-O 2.97Å; S65-E130 PolarHBondContact O-N 3.46Å; S65-E130 VanDerWaalsContact O-O 3.09Å; S65-E130 PolarHBondContact OG-O 3.06Å
66	Y	94.4	Very high	93.7	Very high	25 Å²	25	49.6 Å²	49.6	10%	0.098	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	153.7	176.3	67.6	-94.5	0	0	0	109.6	D41 C59 H100 A101 C102 G128	D41-Y66 HydrophobicContact CB-CE1 4.38Å; D41-Y66 PolarHBondContact OD2-OH 2.88Å; C59-Y66 HydrophobicContact CB-CD1 3.93Å; C59-Y66 HydrophobicContact CB-CD2 3.9Å; C59-Y66 HydrophobicContact CB-CE1 3.48Å; C59-Y66 VanDerWaalsContact CB-CE1 3.48Å; C59-Y66 HydrophobicContact CB-CE2 3.42Å; C59-Y66 VanDerWaalsContact CB-CE2 3.42Å; C59-Y66 HydrophobicContact CB-CG 4.14Å; C59-Y66 PolarHBondContact N-O 3.15Å; C59-Y66 PolarHBondContact O-N 3.48Å; Y66-H100 WeakPolarHBondContact OH-CA 3.39Å; Y66-A101 HydrophobicContact CE2-CB 4.32Å; Y66-A101 PolarHBondContact OH-N 3Å; Y66-A101 VanDerWaalsContact OH-N 3.09Å; Y66-C102 HydrophobicContact CD2-CB 3.86Å; Y66-C102 HydrophobicContact CE2-CB 3.98Å; Y66-G128 CarbonylContact C-O 3.56Å; Y66-G128 WeakPolarHBondContact CA-O 3.22Å
67	W	95.3	Very high	93.6	Very high	59 Å²	59	46 Å²	46	22%	0.223	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.5	158.5	-176.1	65.1	-91.4	0	0	0	111.6	I57 E58 E69 A126 A127 G128	I57-W67 CarbonylContact O-C 3.57Å; I57-W67 WeakPolarHBondContact O-CA 3.41Å; I57-W67 WeakPolarHBondContact O-CB 3.41Å; E58-W67 HydrophobicContact CG-CB 4.18Å; W67-E69 HydrophobicContact CE3-CG 3.99Å; W67-E69 HydrophobicContact CZ3-CB 4.3Å; W67-E69 HydrophobicContact CZ3-CG 3.75Å; W67-A126 HydrophobicContact CH2-CB 3.8Å; W67-A126 HydrophobicContact CZ3-CB 3.69Å; W67-A127 CarbonylContact O-C 3.58Å; W67-A127 VanDerWaalsContact O-CA 3.26Å; W67-A127 WeakPolarHBondContact O-CA 3.43Å; W67-G128 PolarHBondContact N-O 2.85Å; W67-G128 PolarHBondContact O-N 2.89Å
68	C	95.6	Very high	93.6	Very high	0 Å²	0	56.2 Å²	56.2	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	148.7	171.3	45.5	0	0	0	0	110.9	I57 F70 C102 Q124 A126 A127	I57-C68 PolarHBondContact N-O 3.18Å; I57-C68 PolarHBondContact O-N 2.87Å; C68-F70 HydrophobicContact CB-CE2 3.94Å; C68-F70 VanDerWaalsContact SG-CE2 3.55Å; C68-C102 HydrophobicContact CB-CB 3.58Å; C68-C102 WeakPolarHBondContact CB-SG 3.16Å; C68-C102 PolarHBondContact N-SG 2.96Å; C68-C102 WeakPolarHBondContact SG-CA 3.48Å; C68-C102 WeakPolarHBondContact SG-CB 3.32Å; C68-C102 CovalentContact SG-SG 2.03Å; C68-C102 PolarHBondContact SG-SG 3.09Å; C68-Q124 HydrophobicContact CB-CG 4.45Å; C68-Q124 VanDerWaalsContact CB-NE2 3.31Å; C68-A126 CarbonylContact C-O 3.56Å; C68-A126 VanDerWaalsContact CA-O 3.29Å; C68-A126 WeakPolarHBondContact CA-O 3.43Å; C68-A127 HydrophobicContact CB-CB 4.29Å
69	E	95.8	Very high	93.5	Very high	50 Å²	50	54.7 Å²	54.7	23%	0.234	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	137.9	177	-72.9	-176.2	164.8	0	0	109.9	L55 R56 W67 Q124 I125 A126	L55-E69 CarbonylContact O-C 3.55Å; L55-E69 WeakPolarHBondContact O-CA 3.45Å; R56-E69 HydrophobicContact CB-CG 4.17Å; R56-E69 WeakPolarHBondContact CD-OE1 3.14Å; R56-E69 HydrophobicContact CG-CG 4.02Å; R56-E69 IonicContact CZ-OE1 3.77Å; R56-E69 IonicContact NE-OE1 2.86Å; R56-E69 IonicContact NH1-OE1 3.86Å; R56-E69 PolarHBondContact NH1-OE1 3.1Å; W67-E69 HydrophobicContact CE3-CG 3.99Å; W67-E69 HydrophobicContact CZ3-CB 4.3Å; W67-E69 HydrophobicContact CZ3-CG 3.75Å; E69-Q124 CarbonylContact O-C 3.54Å; E69-Q124 WeakPolarHBondContact O-CA 3.12Å; E69-I125 HydrophobicContact CB-CD1 4.22Å; E69-I125 HydrophobicContact CB-CG1 3.85Å; E69-I125 WeakPolarHBondContact O-CG1 3.05Å; E69-I125 PolarHBondContact O-N 3.39Å; E69-A126 HydrophobicContact CB-CB 4.4Å; E69-A126 PolarHBondContact N-O 3.1Å; E69-A126 PolarHBondContact O-N 3.18Å
70	F	95.8	Very high	93.3	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	149.1	175.7	-58.6	-108.1	0	0	0	110.1	K54 L55 I57 C68 T105 L108 M122 K123 Q124	K54-F70 CarbonylContact C-O 3.56Å; K54-F70 VanDerWaalsContact CA-O 3.31Å; K54-F70 WeakPolarHBondContact CA-O 3.03Å; L55-F70 HydrophobicContact CB-CB 4.23Å; L55-F70 HydrophobicContact CD2-CD2 4.42Å; L55-F70 PolarHBondContact N-O 3.41Å; L55-F70 PolarHBondContact O-N 2.84Å; I57-F70 HydrophobicContact CD1-CD2 4.27Å; I57-F70 HydrophobicContact CD1-CE2 3.76Å; C68-F70 HydrophobicContact CB-CE2 3.94Å; C68-F70 VanDerWaalsContact SG-CE2 3.55Å; F70-T105 WeakPolarHBondContact CE1-O 3.05Å; F70-L108 HydrophobicContact CD1-CD1 3.69Å; F70-L108 HydrophobicContact CD1-CG 3.91Å; F70-L108 HydrophobicContact CD2-CD1 3.92Å; F70-L108 HydrophobicContact CE1-CD1 3.64Å; F70-L108 HydrophobicContact CE1-CD2 4.5Å; F70-L108 HydrophobicContact CE1-CG 3.61Å; F70-L108 HydrophobicContact CE2-CD1 3.86Å; F70-L108 HydrophobicContact CG-CD1 3.86Å; F70-L108 HydrophobicContact CZ-CD1 3.75Å; F70-L108 HydrophobicContact CZ-CG 4.02Å; F70-M122 HydrophobicContact CB-CB 4.1Å; F70-M122 HydrophobicContact CB-CE 4.02Å; F70-K123 CarbonylContact C-O 3.47Å; F70-K123 WeakPolarHBondContact CA-O 3.28Å; F70-Q124 VanDerWaalsContact CD1-CA 3.5Å; F70-Q124 HydrophobicContact CD1-CB 3.8Å; F70-Q124 HydrophobicContact CD1-CG 4.46Å; F70-Q124 VanDerWaalsContact CD1-N 3.25Å; F70-Q124 HydrophobicContact CE1-CB 3.56Å; F70-Q124 HydrophobicContact CE1-CG 4.06Å; F70-Q124 HydrophobicContact CE2-CG 4.44Å; F70-Q124 HydrophobicContact CG-CB 4.47Å; F70-Q124 HydrophobicContact CZ-CB 4.06Å; F70-Q124 HydrophobicContact CZ-CG 4.04Å
71	T	96.1	Very high	93.2	Very high	23 Å²	23	58.9 Å²	58.9	14%	0.141	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	148.8	172.3	-159.4	0	0	0	0	110.8	E52 M53 M122 K123 I125	E52-T71 VanDerWaalsContact CD-OG1 3.29Å; E52-T71 WeakPolarHBondContact CG-OG1 3.21Å; E52-T71 PolarHBondContact OE1-OG1 3.14Å; M53-T71 WeakPolarHBondContact O-CA 3.24Å; T71-M122 WeakPolarHBondContact O-CA 3.4Å; T71-K123 PolarHBondContact N-O 3.17Å; T71-K123 PolarHBondContact O-N 3.46Å; T71-I125 HydrophobicContact CG2-CG2 3.46Å; T71-I125 VanDerWaalsContact CG2-CG2 3.46Å
72	G	94.9	Very high	93.3	Very high	7 Å²	7	66.1 Å²	66.1	7%	0.072	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-179.6	177.9	174.4	0	0	0	0	0	112.3	M53 P74	M53-G72 PolarHBondContact N-O 3.12Å; M53-G72 PolarHBondContact O-N 3.31Å; G72-P74 VanDerWaalsContact C-CD 3.43Å; G72-P74 WeakPolarHBondContact O-CD 3.2Å
73	K	95.5	Very high	93.6	Very high	86 Å²	86	60.5 Å²	60.5	37%	0.374	29%	0.288	S	S	.	.			trans	-119.2	68.5	179.2	-58.7	-173.2	178.1	-176	0	111.7	S75 V76 E119 A120	K73-S75 PolarHBondContact O-N 3.23Å; K73-V76 HydrophobicContact CB-CG1 4.11Å; K73-V76 WeakPolarHBondContact O-CG2 3.25Å; K73-V76 PolarHBondContact O-N 3.01Å; K73-V76 VanDerWaalsContact O-N 3.11Å; K73-E119 PolarHBondContact N-O 2.83Å; K73-A120 WeakPolarHBondContact O-CA 3.29Å
74	P	93.8	Very high	94	Very high	0 Å²	0	61.3 Å²	61.3	0%	0	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-55.9	-24.4	-179.5	-24.1	33.9	0	0	0	113.6	M53 G72 V76 C77 F80 Y87 W88 M122	M53-P74 HydrophobicContact CB-CG 4.45Å; M53-P74 HydrophobicContact SD-CB 4.34Å; M53-P74 HydrophobicContact SD-CG 3.93Å; G72-P74 VanDerWaalsContact C-CD 3.43Å; G72-P74 WeakPolarHBondContact O-CD 3.2Å; P74-V76 PolarHBondContact O-N 3.07Å; P74-C77 VanDerWaalsContact O-CB 3.24Å; P74-C77 WeakPolarHBondContact O-CB 3.32Å; P74-C77 PolarHBondContact O-N 3.33Å; P74-F80 VanDerWaalsContact C-CD1 3.46Å; P74-F80 HydrophobicContact CB-CB 4.39Å; P74-F80 HydrophobicContact CB-CD1 3.86Å; P74-F80 HydrophobicContact CB-CD2 3.5Å; P74-F80 VanDerWaalsContact CB-CD2 3.5Å; P74-F80 HydrophobicContact CB-CE1 3.94Å; P74-F80 HydrophobicContact CB-CE2 3.59Å; P74-F80 HydrophobicContact CB-CG 3.64Å; P74-F80 HydrophobicContact CB-CZ 3.81Å; P74-F80 HydrophobicContact CG-CE2 4.36Å; P74-F80 VanDerWaalsContact O-CB 3.23Å; P74-F80 WeakPolarHBondContact O-CB 3.22Å; P74-F80 WeakPolarHBondContact O-CD1 3.44Å; P74-F80 WeakPolarHBondContact O-CG 3.31Å; P74-Y87 HydrophobicContact CB-CE1 4.13Å; P74-Y87 HydrophobicContact CB-CE2 4.25Å; P74-Y87 HydrophobicContact CG-CE1 4.03Å; P74-W88 HydrophobicContact CG-CH2 4.29Å; P74-W88 HydrophobicContact CG-CZ2 4.48Å; P74-M122 HydrophobicContact CG-SD 3.81Å
75	S	92.8	Very high	94.1	Very high	41 Å²	41	61 Å²	61	29%	0.287	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-55.6	-27.6	176.3	57.2	0	0	0	0	114.4	K73 C77 R81	K73-S75 PolarHBondContact O-N 3.23Å; S75-C77 PolarHBondContact O-N 2.91Å; S75-R81 WeakPolarHBondContact O-CD 2.99Å; S75-R81 WeakPolarHBondContact O-CG 3.49Å
76	V	93.6	Very high	94.1	Very high	58 Å²	58	63.6 Å²	63.6	35%	0.352	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-72.8	-18	176.5	-48.1	0	0	0	0	112.2	K73 P74 R78 P117 A120	K73-V76 HydrophobicContact CB-CG1 4.11Å; K73-V76 WeakPolarHBondContact O-CG2 3.25Å; K73-V76 PolarHBondContact O-N 3.01Å; K73-V76 VanDerWaalsContact O-N 3.11Å; P74-V76 PolarHBondContact O-N 3.07Å; V76-R78 PolarHBondContact O-N 3.23Å; V76-P117 HydrophobicContact CB-CG 4.29Å; V76-P117 HydrophobicContact CG2-CG 3.56Å; V76-A120 HydrophobicContact CG2-CB 3.42Å; V76-A120 VanDerWaalsContact CG2-CB 3.42Å
77	C	93.8	Very high	94.1	Very high	4 Å²	4	62.4 Å²	62.4	3%	0.027	29%	0.291	C	S	.	.	S	Bend	trans	-81.5	112.6	172.5	176.4	0	0	0	0	110.2	P74 S75 P79 F80 R81 C113 A116 A120	P74-C77 VanDerWaalsContact O-CB 3.24Å; P74-C77 WeakPolarHBondContact O-CB 3.32Å; P74-C77 PolarHBondContact O-N 3.33Å; S75-C77 PolarHBondContact O-N 2.91Å; C77-P79 VanDerWaalsContact SG-CD 3.56Å; C77-F80 HydrophobicContact CB-CB 4.09Å; C77-F80 WeakPolarHBondContact O-CB 3.38Å; C77-F80 PolarHBondContact O-N 3.36Å; C77-R81 PolarHBondContact O-N 3.1Å; C77-C113 HydrophobicContact CB-CB 3.87Å; C77-C113 WeakPolarHBondContact CB-SG 3.02Å; C77-C113 WeakPolarHBondContact SG-CA 3.35Å; C77-C113 WeakPolarHBondContact SG-CB 3.31Å; C77-C113 CovalentContact SG-SG 2.03Å; C77-C113 PolarHBondContact SG-SG 2.86Å; C77-A116 HydrophobicContact CB-CB 3.95Å; C77-A120 HydrophobicContact CB-CB 4.25Å
78	R	93.8	Very high	94	Very high	215 Å²	215	60.7 Å²	60.7	81%	0.811	29%	0.285	S	S	*	.	H	α-helix	trans	-52.8	-45	179.1	-71.4	-173.6	-177.6	-130.7	3.2	113.6	V76 F80 R81 K82	V76-R78 PolarHBondContact O-N 3.23Å; R78-F80 VanDerWaalsContact C-N 3.27Å; R78-F80 PolarHBondContact O-N 2.97Å; R78-R81 PolarHBondContact O-N 3.42Å; R78-K82 PolarHBondContact O-N 3.46Å
79	P	93.9	Very high	93.9	Very high	57 Å²	57	63.9 Å²	63.9	37%	0.37	30%	0.302	S	S	.	.	H	α-helix	trans	-55.3	-36.9	174	-31.5	37.3	0	0	0	114.7	C77 K82 N83 M112	C77-P79 VanDerWaalsContact SG-CD 3.56Å; P79-K82 PolarHBondContact O-N 3.39Å; P79-N83 PolarHBondContact O-N 3.08Å; P79-N83 VanDerWaalsContact O-N 3.13Å; P79-M112 HydrophobicContact CB-CB 4.25Å; P79-M112 HydrophobicContact CB-CE 3.49Å; P79-M112 VanDerWaalsContact CB-CE 3.49Å; P79-M112 HydrophobicContact CB-CG 4.48Å; P79-M112 WeakPolarHBondContact CG-O 3.49Å; P79-M112 VanDerWaalsContact O-CE 3.23Å; P79-M112 WeakPolarHBondContact O-CE 3.43Å
80	F	93.7	Very high	93.8	Very high	10 Å²	10	63.9 Å²	63.9	4%	0.044	30%	0.302	C	S	.	.	H	α-helix	trans	-64	-47.9	177.2	173.5	-91.9	0	0	0	111	M53 P74 C77 R78 K82 N83 P84 Y87 W88	M53-F80 HydrophobicContact CE-CE1 3.67Å; M53-F80 HydrophobicContact CE-CZ 3.6Å; M53-F80 HydrophobicContact SD-CE1 4.05Å; M53-F80 HydrophobicContact SD-CE2 4.36Å; M53-F80 HydrophobicContact SD-CZ 3.51Å; M53-F80 VanDerWaalsContact SD-CZ 3.51Å; P74-F80 VanDerWaalsContact C-CD1 3.46Å; P74-F80 HydrophobicContact CB-CB 4.39Å; P74-F80 HydrophobicContact CB-CD1 3.86Å; P74-F80 HydrophobicContact CB-CD2 3.5Å; P74-F80 VanDerWaalsContact CB-CD2 3.5Å; P74-F80 HydrophobicContact CB-CE1 3.94Å; P74-F80 HydrophobicContact CB-CE2 3.59Å; P74-F80 HydrophobicContact CB-CG 3.64Å; P74-F80 HydrophobicContact CB-CZ 3.81Å; P74-F80 HydrophobicContact CG-CE2 4.36Å; P74-F80 VanDerWaalsContact O-CB 3.23Å; P74-F80 WeakPolarHBondContact O-CB 3.22Å; P74-F80 WeakPolarHBondContact O-CD1 3.44Å; P74-F80 WeakPolarHBondContact O-CG 3.31Å; C77-F80 HydrophobicContact CB-CB 4.09Å; C77-F80 WeakPolarHBondContact O-CB 3.38Å; C77-F80 PolarHBondContact O-N 3.36Å; R78-F80 VanDerWaalsContact C-N 3.27Å; R78-F80 PolarHBondContact O-N 2.97Å; F80-K82 PolarHBondContact O-N 2.91Å; F80-K82 VanDerWaalsContact O-N 3.15Å; F80-N83 CarbonylContact O-C 3.58Å; F80-N83 VanDerWaalsContact O-C 3.25Å; F80-N83 PolarHBondContact O-N 3.13Å; F80-N83 VanDerWaalsContact O-N 3.1Å; F80-P84 HydrophobicContact CD2-CB 4.32Å; F80-P84 HydrophobicContact CE1-CB 4.42Å; F80-P84 HydrophobicContact CE1-CG 4.38Å; F80-P84 HydrophobicContact CE2-CB 3.8Å; F80-P84 HydrophobicContact CZ-CB 3.85Å; F80-P84 HydrophobicContact CZ-CG 4.29Å; F80-P84 WeakPolarHBondContact O-CD 3.46Å; F80-P84 WeakPolarHBondContact O-CG 3.46Å; F80-Y87 HydrophobicContact CB-CD2 4.44Å; F80-Y87 AromaticContact CD2-CD1 3.75Å; F80-Y87 HydrophobicContact CD2-CD1 3.75Å; F80-Y87 AromaticContact CD2-CD2 3.86Å; F80-Y87 HydrophobicContact CD2-CD2 3.86Å; F80-Y87 HydrophobicContact CD2-CE1 4.38Å; F80-Y87 HydrophobicContact CD2-CE2 4.45Å; F80-Y87 AromaticContact CD2-CG 3.47Å; F80-Y87 HydrophobicContact CD2-CG 3.47Å; F80-Y87 VanDerWaalsContact CD2-CG 3.47Å; F80-Y87 AromaticContact CE2-CD1 3.84Å; F80-Y87 HydrophobicContact CE2-CD1 3.84Å; F80-Y87 HydrophobicContact CE2-CE1 4.43Å; F80-Y87 HydrophobicContact CE2-CG 4.03Å; F80-W88 AromaticContact CE2-CE2 3.99Å; F80-W88 HydrophobicContact CE2-CZ2 4.08Å; F80-W88 AromaticContact CE2-NE1 3.81Å; F80-W88 HydrophobicContact CZ-CZ2 4.37Å
81	R	92.2	Very high	93.7	Very high	195 Å²	195	63.9 Å²	63.9	74%	0.736	30%	0.302	S	S	*	.	H	α-helix	trans	-57.7	-31	178.3	-67.2	-179	62.9	-175.9	1.3	112.9	S75 C77 R78	S75-R81 WeakPolarHBondContact O-CD 2.99Å; S75-R81 WeakPolarHBondContact O-CG 3.49Å; C77-R81 PolarHBondContact O-N 3.1Å; R78-R81 PolarHBondContact O-N 3.42Å
82	K	94.4	Very high	93.6	Very high	192 Å²	192	62.8 Å²	62.8	84%	0.835	30%	0.295	S	S	*	.	H	α-helix	trans	-75.2	-41.9	176.8	-173.5	177.8	-180	179.6	0	112.2	R78 P79 F80	R78-K82 PolarHBondContact O-N 3.46Å; P79-K82 PolarHBondContact O-N 3.39Å; F80-K82 PolarHBondContact O-N 2.91Å; F80-K82 VanDerWaalsContact O-N 3.15Å
83	N	93.1	Very high	93.5	Very high	65 Å²	65	65.6 Å²	65.6	35%	0.348	31%	0.311	S	S	.	.			trans	-150.9	87.6	-179.8	-162.5	-25.7	0	0	0	112.5	P79 F80 K85 I86	P79-N83 PolarHBondContact O-N 3.08Å; P79-N83 VanDerWaalsContact O-N 3.13Å; F80-N83 CarbonylContact O-C 3.58Å; F80-N83 VanDerWaalsContact O-C 3.25Å; F80-N83 PolarHBondContact O-N 3.13Å; F80-N83 VanDerWaalsContact O-N 3.1Å; N83-K85 VanDerWaalsContact C-N 3.25Å; N83-K85 PolarHBondContact O-N 2.93Å; N83-K85 PolarHBondContact OD1-N 3.33Å; N83-I86 HydrophobicContact CB-CB 4.49Å; N83-I86 HydrophobicContact CB-CD1 4.08Å; N83-I86 HydrophobicContact CB-CG1 4.29Å; N83-I86 WeakPolarHBondContact ND2-CD1 3.17Å; N83-I86 PolarHBondContact O-N 2.92Å; N83-I86 PolarHBondContact OD1-N 2.82Å
84	P	92.4	Very high	93.3	Very high	56 Å²	56	64.5 Å²	64.5	36%	0.364	31%	0.307	S	S	.	.	H	α-helix	trans	-62.1	-31.1	179.5	-24.9	34.5	0	0	0	113.3	F80 I86 Y87 W88	F80-P84 HydrophobicContact CD2-CB 4.32Å; F80-P84 HydrophobicContact CE1-CB 4.42Å; F80-P84 HydrophobicContact CE1-CG 4.38Å; F80-P84 HydrophobicContact CE2-CB 3.8Å; F80-P84 HydrophobicContact CZ-CB 3.85Å; F80-P84 HydrophobicContact CZ-CG 4.29Å; F80-P84 WeakPolarHBondContact O-CD 3.46Å; F80-P84 WeakPolarHBondContact O-CG 3.46Å; P84-I86 VanDerWaalsContact C-N 3.35Å; P84-I86 PolarHBondContact O-N 2.65Å; P84-Y87 WeakPolarHBondContact O-CB 3.45Å; P84-Y87 PolarHBondContact O-N 2.81Å; P84-W88 PolarHBondContact O-N 2.83Å; P84-W88 VanDerWaalsContact O-N 3.12Å
85	K	92.1	Very high	93.3	Very high	113 Å²	113	64.5 Å²	64.5	49%	0.491	31%	0.307	S	S	.	.	H	α-helix	trans	-63	-40.9	-179	-174.1	164.3	-176.7	144.8	0	111.8	E31 N83 Y87 W88 N89	E31-K85 IonicContact OE1-NZ 3.85Å; E31-K85 IonicContact OE2-NZ 2.68Å; E31-K85 PolarHBondContact OE2-NZ 2.84Å; N83-K85 VanDerWaalsContact C-N 3.25Å; N83-K85 PolarHBondContact O-N 2.93Å; N83-K85 PolarHBondContact OD1-N 3.33Å; K85-Y87 VanDerWaalsContact C-N 3.31Å; K85-Y87 PolarHBondContact O-N 2.78Å; K85-W88 PolarHBondContact O-N 2.91Å; K85-N89 WeakPolarHBondContact O-CB 3.45Å; K85-N89 VanDerWaalsContact O-CG 3.23Å; K85-N89 PolarHBondContact O-N 2.04Å; K85-N89 PolarHBondContact O-ND2 3.34Å
86	I	93.1	Very high	93.3	Very high	79 Å²	79	67 Å²	67	41%	0.405	31%	0.31	S	S	.	.	H	α-helix	trans	-63.8	-39.6	176.4	-66.2	177.2	0	0	0	110.9	N83 P84 N89 Q90 M112	N83-I86 HydrophobicContact CB-CB 4.49Å; N83-I86 HydrophobicContact CB-CD1 4.08Å; N83-I86 HydrophobicContact CB-CG1 4.29Å; N83-I86 WeakPolarHBondContact ND2-CD1 3.17Å; N83-I86 PolarHBondContact O-N 2.92Å; N83-I86 PolarHBondContact OD1-N 2.82Å; P84-I86 VanDerWaalsContact C-N 3.35Å; P84-I86 PolarHBondContact O-N 2.65Å; I86-N89 PolarHBondContact O-N 3Å; I86-Q90 WeakPolarHBondContact O-CG 3.25Å; I86-Q90 PolarHBondContact O-N 2.92Å; I86-M112 HydrophobicContact CB-SD 4.41Å; I86-M112 HydrophobicContact CG2-SD 3.95Å
87	Y	93.8	Very high	93.2	Very high	1 Å²	1	68.9 Å²	68.9	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-60.3	-53.4	177.7	178.4	-87.2	0	0	0	111.5	P74 F80 P84 K85 N89 Q90 I91 A110 M112 C113 A120 M122	P74-Y87 HydrophobicContact CB-CE1 4.13Å; P74-Y87 HydrophobicContact CB-CE2 4.25Å; P74-Y87 HydrophobicContact CG-CE1 4.03Å; F80-Y87 HydrophobicContact CB-CD2 4.44Å; F80-Y87 AromaticContact CD2-CD1 3.75Å; F80-Y87 HydrophobicContact CD2-CD1 3.75Å; F80-Y87 AromaticContact CD2-CD2 3.86Å; F80-Y87 HydrophobicContact CD2-CD2 3.86Å; F80-Y87 HydrophobicContact CD2-CE1 4.38Å; F80-Y87 HydrophobicContact CD2-CE2 4.45Å; F80-Y87 AromaticContact CD2-CG 3.47Å; F80-Y87 HydrophobicContact CD2-CG 3.47Å; F80-Y87 VanDerWaalsContact CD2-CG 3.47Å; F80-Y87 AromaticContact CE2-CD1 3.84Å; F80-Y87 HydrophobicContact CE2-CD1 3.84Å; F80-Y87 HydrophobicContact CE2-CE1 4.43Å; F80-Y87 HydrophobicContact CE2-CG 4.03Å; P84-Y87 WeakPolarHBondContact O-CB 3.45Å; P84-Y87 PolarHBondContact O-N 2.81Å; K85-Y87 VanDerWaalsContact C-N 3.31Å; K85-Y87 PolarHBondContact O-N 2.78Å; Y87-N89 VanDerWaalsContact C-N 3.28Å; Y87-N89 PolarHBondContact O-N 3.43Å; Y87-Q90 WeakPolarHBondContact O-CB 3.35Å; Y87-Q90 PolarHBondContact O-N 2.97Å; Y87-I91 HydrophobicContact CD1-CG1 4.13Å; Y87-I91 HydrophobicContact CE1-CD1 4.37Å; Y87-I91 HydrophobicContact CE1-CG1 3.81Å; Y87-I91 WeakPolarHBondContact O-CG1 3.14Å; Y87-I91 PolarHBondContact O-N 3.44Å; Y87-A110 HydrophobicContact CD2-CB 3.44Å; Y87-A110 VanDerWaalsContact CD2-CB 3.44Å; Y87-A110 HydrophobicContact CE2-CB 3.32Å; Y87-A110 HydrophobicContact CG-CB 4.29Å; Y87-M112 WeakPolarHBondContact CA-SD 3.43Å; Y87-M112 VanDerWaalsContact CB-SD 3.59Å; Y87-M112 HydrophobicContact CD2-CG 4.16Å; Y87-M112 HydrophobicContact CD2-SD 4.1Å; Y87-M112 HydrophobicContact CG-SD 4.33Å; Y87-M112 PolarHBondContact N-SD 2.85Å; Y87-C113 HydrophobicContact CE2-CB 4.49Å; Y87-A120 PolarHBondContact OH-O 2.87Å; Y87-M122 WeakPolarHBondContact OH-CG 3.14Å
88	W	93.7	Very high	93.2	Very high	23 Å²	23	70 Å²	70	9%	0.087	32%	0.319	C	S	.	.	H	α-helix	trans	-63.7	-35.7	-179.8	-62.5	121.9	0	0	0	112	I33 M45 V47 M53 L55 P74 F80 P84 K85 Q90 I91 A92 M122	I33-W88 HydrophobicContact CD1-CB 3.76Å; M45-W88 HydrophobicContact CE-CB 4.08Å; M45-W88 WeakPolarHBondContact CE-O 3.41Å; V47-W88 HydrophobicContact CB-CZ2 4.33Å; V47-W88 HydrophobicContact CG1-CH2 3.93Å; V47-W88 HydrophobicContact CG1-CZ2 3.45Å; V47-W88 VanDerWaalsContact CG1-CZ2 3.45Å; V47-W88 HydrophobicContact CG2-CD2 3.72Å; V47-W88 HydrophobicContact CG2-CE3 3.9Å; V47-W88 HydrophobicContact CG2-CG 4.32Å; V47-W88 HydrophobicContact CG2-CH2 4.04Å; V47-W88 HydrophobicContact CG2-CZ2 3.85Å; V47-W88 HydrophobicContact CG2-CZ3 4.06Å; M53-W88 HydrophobicContact SD-CH2 4.49Å; M53-W88 HydrophobicContact SD-CZ2 3.8Å; L55-W88 HydrophobicContact CB-CZ3 4.36Å; L55-W88 HydrophobicContact CD1-CE3 4Å; L55-W88 HydrophobicContact CD1-CH2 4.45Å; L55-W88 HydrophobicContact CD1-CZ3 3.68Å; L55-W88 HydrophobicContact CD2-CZ3 4.17Å; L55-W88 HydrophobicContact CG-CZ3 4.31Å; P74-W88 HydrophobicContact CG-CH2 4.29Å; P74-W88 HydrophobicContact CG-CZ2 4.48Å; F80-W88 AromaticContact CE2-CE2 3.99Å; F80-W88 HydrophobicContact CE2-CZ2 4.08Å; F80-W88 AromaticContact CE2-NE1 3.81Å; F80-W88 HydrophobicContact CZ-CZ2 4.37Å; P84-W88 PolarHBondContact O-N 2.83Å; P84-W88 VanDerWaalsContact O-N 3.12Å; K85-W88 PolarHBondContact O-N 2.91Å; W88-Q90 PolarHBondContact O-N 3.35Å; W88-I91 HydrophobicContact CE3-CG1 4.44Å; W88-I91 PolarHBondContact O-N 3.41Å; W88-A92 WeakPolarHBondContact O-CB 3.38Å; W88-A92 PolarHBondContact O-N 3.36Å; W88-M122 HydrophobicContact CH2-CE 4.27Å; W88-M122 HydrophobicContact CH2-SD 4.42Å
89	N	93.2	Very high	93.1	Very high	67 Å²	67	63.1 Å²	63.1	36%	0.358	30%	0.302	S	S	.	.	H	α-helix	trans	-62.7	-39.9	172.5	-74.8	-14.9	0	0	0	112.6	K85 I86 Y87 A92 V93	K85-N89 WeakPolarHBondContact O-CB 3.45Å; K85-N89 VanDerWaalsContact O-CG 3.23Å; K85-N89 PolarHBondContact O-N 2.04Å; K85-N89 PolarHBondContact O-ND2 3.34Å; I86-N89 PolarHBondContact O-N 3Å; Y87-N89 VanDerWaalsContact C-N 3.28Å; Y87-N89 PolarHBondContact O-N 3.43Å; N89-A92 PolarHBondContact O-N 2.77Å; N89-V93 VanDerWaalsContact O-CG2 3.31Å; N89-V93 WeakPolarHBondContact O-CG2 3.44Å; N89-V93 PolarHBondContact O-N 3.46Å
90	Q	94.1	Very high	93	Very high	50 Å²	50	63.5 Å²	63.5	23%	0.234	30%	0.299	C	S	.	.	H	α-helix	trans	-63	-45	174.3	-75.2	-175.9	7	0	0	111.5	I86 Y87 W88 A92 V93 E94 T111	I86-Q90 WeakPolarHBondContact O-CG 3.25Å; I86-Q90 PolarHBondContact O-N 2.92Å; Y87-Q90 WeakPolarHBondContact O-CB 3.35Å; Y87-Q90 PolarHBondContact O-N 2.97Å; W88-Q90 PolarHBondContact O-N 3.35Å; Q90-A92 VanDerWaalsContact C-N 3.34Å; Q90-A92 PolarHBondContact O-N 3.42Å; Q90-V93 WeakPolarHBondContact O-CB 3.32Å; Q90-V93 PolarHBondContact O-N 3.38Å; Q90-V93 VanDerWaalsContact O-N 3.15Å; Q90-E94 PolarHBondContact O-N 3.43Å; Q90-T111 VanDerWaalsContact OE1-N 3.14Å
91	I	93.7	Very high	93	Very high	0 Å²	0	63 Å²	63	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-58.6	-47.5	175.3	-61.5	-52.2	0	0	0	110.6	M45 L55 Y87 W88 V93 E94 L95 L108 A110	M45-I91 HydrophobicContact SD-CG2 4.03Å; L55-I91 HydrophobicContact CD2-CG2 4.06Å; Y87-I91 HydrophobicContact CD1-CG1 4.13Å; Y87-I91 HydrophobicContact CE1-CD1 4.37Å; Y87-I91 HydrophobicContact CE1-CG1 3.81Å; Y87-I91 WeakPolarHBondContact O-CG1 3.14Å; Y87-I91 PolarHBondContact O-N 3.44Å; W88-I91 HydrophobicContact CE3-CG1 4.44Å; W88-I91 PolarHBondContact O-N 3.41Å; I91-V93 VanDerWaalsContact C-N 3.29Å; I91-V93 PolarHBondContact O-N 3.41Å; I91-E94 PolarHBondContact O-N 3.07Å; I91-E94 VanDerWaalsContact O-N 3.15Å; I91-L95 HydrophobicContact CG2-CD1 3.95Å; I91-L95 HydrophobicContact CG2-CG 4.41Å; I91-L95 WeakPolarHBondContact O-CG 3.37Å; I91-L95 PolarHBondContact O-N 3.26Å; I91-L108 HydrophobicContact CD1-CB 4.16Å; I91-L108 HydrophobicContact CG2-CD1 3.95Å; I91-A110 HydrophobicContact CD1-CB 3.92Å
92	A	93.4	Very high	92.8	Very high	0 Å²	0	54.5 Å²	54.5	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-60	-37.8	176.4	0	0	0	0	0	112.4	I33 M45 W88 N89 Q90 L95 R96	I33-A92 HydrophobicContact CG2-CB 3.98Å; M45-A92 HydrophobicContact CE-CB 4Å; W88-A92 WeakPolarHBondContact O-CB 3.38Å; W88-A92 PolarHBondContact O-N 3.36Å; N89-A92 PolarHBondContact O-N 2.77Å; Q90-A92 VanDerWaalsContact C-N 3.34Å; Q90-A92 PolarHBondContact O-N 3.42Å; A92-L95 PolarHBondContact O-N 3.38Å; A92-R96 VanDerWaalsContact O-CG 3.25Å; A92-R96 WeakPolarHBondContact O-CG 3.44Å; A92-R96 PolarHBondContact O-N 2.91Å
93	V	93.3	Very high	92.1	Very high	66 Å²	66	52.5 Å²	52.5	40%	0.4	26%	0.261	S	S	.	.	H	α-helix	trans	-64.2	-42.6	174.8	167.2	0	0	0	0	111.6	N89 Q90 I91 R96 K97	N89-V93 VanDerWaalsContact O-CG2 3.31Å; N89-V93 WeakPolarHBondContact O-CG2 3.44Å; N89-V93 PolarHBondContact O-N 3.46Å; Q90-V93 WeakPolarHBondContact O-CB 3.32Å; Q90-V93 PolarHBondContact O-N 3.38Å; Q90-V93 VanDerWaalsContact O-N 3.15Å; I91-V93 VanDerWaalsContact C-N 3.29Å; I91-V93 PolarHBondContact O-N 3.41Å; V93-R96 PolarHBondContact O-N 3.33Å; V93-K97 WeakPolarHBondContact O-CG 3.38Å; V93-K97 PolarHBondContact O-N 3.15Å
94	E	91.9	Very high	90.7	Very high	63 Å²	63	52.9 Å²	52.9	29%	0.294	27%	0.268	S	S	.	.	H	α-helix	trans	-62.5	-44.1	175.4	-67.6	-51.3	133.8	0	0	111.5	Q90 I91 R96 K97	Q90-E94 PolarHBondContact O-N 3.43Å; I91-E94 PolarHBondContact O-N 3.07Å; I91-E94 VanDerWaalsContact O-N 3.15Å; E94-R96 VanDerWaalsContact C-N 3.33Å; E94-R96 PolarHBondContact O-N 3.46Å; E94-K97 VanDerWaalsContact CD-NZ 3.33Å; E94-K97 WeakPolarHBondContact O-CB 3.43Å; E94-K97 PolarHBondContact O-N 3.31Å; E94-K97 VanDerWaalsContact O-N 3.07Å; E94-K97 IonicContact OE1-NZ 3.77Å; E94-K97 PolarHBondContact OE1-NZ 3.46Å; E94-K97 IonicContact OE2-NZ 3.87Å; E94-K97 PolarHBondContact OE2-NZ 3Å
95	L	93.3	Very high	89.9	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-62.2	-37.9	177.6	-65.6	167.1	0	0	0	112.7	F35 M45 I57 I91 A92 K97 L98 A101 L108	F35-L95 HydrophobicContact CD2-CB 4.34Å; F35-L95 HydrophobicContact CE1-CD1 4.21Å; F35-L95 HydrophobicContact CE2-CB 3.58Å; F35-L95 HydrophobicContact CZ-CB 3.75Å; F35-L95 HydrophobicContact CZ-CD1 3.84Å; F35-L95 HydrophobicContact CZ-CG 4.38Å; M45-L95 HydrophobicContact SD-CD1 3.93Å; I57-L95 HydrophobicContact CD1-CD1 3.43Å; I57-L95 VanDerWaalsContact CD1-CD1 3.43Å; I57-L95 HydrophobicContact CD1-CD2 3.66Å; I57-L95 HydrophobicContact CD1-CG 4.19Å; I57-L95 HydrophobicContact CG1-CD1 4.23Å; I91-L95 HydrophobicContact CG2-CD1 3.95Å; I91-L95 HydrophobicContact CG2-CG 4.41Å; I91-L95 WeakPolarHBondContact O-CG 3.37Å; I91-L95 PolarHBondContact O-N 3.26Å; A92-L95 PolarHBondContact O-N 3.38Å; L95-K97 PolarHBondContact O-N 3.48Å; L95-L98 HydrophobicContact CD2-CD1 4.22Å; L95-L98 WeakPolarHBondContact O-CB 3.46Å; L95-L98 PolarHBondContact O-N 2.88Å; L95-L98 VanDerWaalsContact O-N 3.15Å; L95-A101 HydrophobicContact CD2-CB 4.29Å; L95-L108 HydrophobicContact CD2-CD1 4.43Å; L95-L108 HydrophobicContact CD2-CD2 3.75Å; L95-L108 HydrophobicContact CG-CD2 4.37Å
96	R	93.5	Very high	89.6	Confident	93 Å²	93	54 Å²	54	35%	0.351	27%	0.273	S	S	.	.	H	α-helix	trans	-61.4	-26.8	175	-73.7	177.7	-166.2	106.1	0.9	113.1	F35 R36 A92 V93 E94 L98	F35-R96 HydrophobicContact CB-CG 3.85Å; F35-R96 HydrophobicContact CD2-CG 3.81Å; F35-R96 HydrophobicContact CG-CG 4.22Å; R36-R96 WeakPolarHBondContact O-CG 3.44Å; A92-R96 VanDerWaalsContact O-CG 3.25Å; A92-R96 WeakPolarHBondContact O-CG 3.44Å; A92-R96 PolarHBondContact O-N 2.91Å; V93-R96 PolarHBondContact O-N 3.33Å; E94-R96 VanDerWaalsContact C-N 3.33Å; E94-R96 PolarHBondContact O-N 3.46Å; R96-L98 VanDerWaalsContact C-N 3.25Å; R96-L98 PolarHBondContact O-N 2.89Å
97	K	92.1	Very high	89.5	Confident	97 Å²	97	53 Å²	53	42%	0.422	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-14.2	179.6	-64.7	169.6	-171.8	172.5	0	112.8	K38 V93 E94 L95	K38-K97 WeakPolarHBondContact CD-O 3.43Å; K38-K97 WeakPolarHBondContact CE-O 3.31Å; K38-K97 PolarHBondContact NZ-O 3Å; V93-K97 WeakPolarHBondContact O-CG 3.38Å; V93-K97 PolarHBondContact O-N 3.15Å; E94-K97 VanDerWaalsContact CD-NZ 3.33Å; E94-K97 WeakPolarHBondContact O-CB 3.43Å; E94-K97 PolarHBondContact O-N 3.31Å; E94-K97 VanDerWaalsContact O-N 3.07Å; E94-K97 IonicContact OE1-NZ 3.77Å; E94-K97 PolarHBondContact OE1-NZ 3.46Å; E94-K97 IonicContact OE2-NZ 3.87Å; E94-K97 PolarHBondContact OE2-NZ 3Å; L95-K97 PolarHBondContact O-N 3.48Å
98	L	92.2	Very high	89.4	Confident	27 Å²	27	53.1 Å²	53.1	14%	0.141	27%	0.271	C	S	.	.	S	Bend	trans	-84.4	148.3	-178.8	-53.3	178.8	0	0	0	110.5	T37 K38 L95 R96 H100 S104	T37-L98 WeakPolarHBondContact CB-O 3.16Å; K38-L98 PolarHBondContact N-O 3.35Å; L95-L98 HydrophobicContact CD2-CD1 4.22Å; L95-L98 WeakPolarHBondContact O-CB 3.46Å; L95-L98 PolarHBondContact O-N 2.88Å; L95-L98 VanDerWaalsContact O-N 3.15Å; R96-L98 VanDerWaalsContact C-N 3.25Å; R96-L98 PolarHBondContact O-N 2.89Å; L98-H100 WeakPolarHBondContact CB-O 3.38Å; L98-S104 VanDerWaalsContact CD1-OG 3.27Å; L98-S104 WeakPolarHBondContact CD1-OG 3.15Å; L98-S104 WeakPolarHBondContact CD2-OG 3.33Å
99	P	92.5	Very high	89.1	Confident	71 Å²	71	59.2 Å²	59.2	46%	0.461	30%	0.298	S	S	.	.	S	Bend	trans	-60.1	-52.4	165.4	-20.6	32.9	0	0	0	110.9	T37 A39	T37-P99 WeakPolarHBondContact CB-O 3.02Å; T37-P99 PolarHBondContact OG1-O 2.78Å; A39-P99 WeakPolarHBondContact CB-O 3.4Å; A39-P99 PolarHBondContact N-O 3.06Å
100	H	92.4	Very high	89	Confident	66 Å²	66	56.3 Å²	56.3	31%	0.306	28%	0.283	S	S	.	.	S	Bend	trans	-125.7	133	175.6	-58	-56.8	0	0	0	109.7	D41 Y66 L98 C102 E103	D41-H100 IonicContact OD1-ND1 3.67Å; D41-H100 IonicContact OD2-CE1 2.74Å; D41-H100 IonicContact OD2-CG 2.78Å; D41-H100 IonicContact OD2-ND1 3.74Å; D41-H100 PolarHBondContact OD2-ND1 3.43Å; Y66-H100 WeakPolarHBondContact OH-CA 3.39Å; L98-H100 WeakPolarHBondContact CB-O 3.38Å; H100-C102 VanDerWaalsContact C-N 3.3Å; H100-C102 PolarHBondContact O-N 3.15Å; H100-E103 HydrophobicContact CB-CB 4.16Å; H100-E103 IonicContact CD2-OE2 3.01Å; H100-E103 PolarHBondContact CD2-OE2 3.31Å; H100-E103 IonicContact CG-OE2 2.77Å
101	A	91.8	Very high	88.8	Confident	0 Å²	0	57.6 Å²	57.6	0%	0	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-29	-168.1	0	0	0	0	0	113.7	F35 T37 I57 Y66 L95	F35-A101 HydrophobicContact CE2-CB 4.35Å; F35-A101 HydrophobicContact CZ-CB 4.27Å; T37-A101 HydrophobicContact CG2-CB 4.07Å; I57-A101 HydrophobicContact CG2-CB 4.07Å; Y66-A101 HydrophobicContact CE2-CB 4.32Å; Y66-A101 PolarHBondContact OH-N 3Å; Y66-A101 VanDerWaalsContact OH-N 3.09Å; L95-A101 HydrophobicContact CD2-CB 4.29Å
102	C	89.4	Confident	88.7	Confident	15 Å²	15	59.6 Å²	59.6	10%	0.101	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.4	-4	-170	-63.9	0	0	0	0	115	Y66 C68 H100 Q124	Y66-C102 HydrophobicContact CD2-CB 3.86Å; Y66-C102 HydrophobicContact CE2-CB 3.98Å; C68-C102 HydrophobicContact CB-CB 3.58Å; C68-C102 WeakPolarHBondContact CB-SG 3.16Å; C68-C102 PolarHBondContact N-SG 2.96Å; C68-C102 WeakPolarHBondContact SG-CA 3.48Å; C68-C102 WeakPolarHBondContact SG-CB 3.32Å; C68-C102 CovalentContact SG-SG 2.03Å; C68-C102 PolarHBondContact SG-SG 3.09Å; H100-C102 VanDerWaalsContact C-N 3.3Å; H100-C102 PolarHBondContact O-N 3.15Å; C102-Q124 PolarHBondContact O-NE2 3.38Å
103	E	80.1	Confident	88.7	Confident	151 Å²	151	60.2 Å²	60.2	71%	0.706	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.3	-34.4	-168.2	-170	178	-175	0	0	113.3	H100	H100-E103 HydrophobicContact CB-CB 4.16Å; H100-E103 IonicContact CD2-OE2 3.01Å; H100-E103 PolarHBondContact CD2-OE2 3.31Å; H100-E103 IonicContact CG-OE2 2.77Å
104	S	63.5	Low	88.5	Confident	72 Å²	72	64.3 Å²	64.3	50%	0.503	32%	0.324	S	S	.	.	S	Bend	trans	-101.1	-15.7	-165.3	59.5	0	0	0	0	115.1	L98	L98-S104 VanDerWaalsContact CD1-OG 3.27Å; L98-S104 WeakPolarHBondContact CD1-OG 3.15Å; L98-S104 WeakPolarHBondContact CD2-OG 3.33Å
105	T	74.3	Confident	88.3	Confident	39 Å²	39	71.5 Å²	71.5	24%	0.239	35%	0.354	C	S	.	.			trans	-137.1	98.1	-167.7	-55.2	0	0	0	0	111.4	F70 V107 L108	F70-T105 WeakPolarHBondContact CE1-O 3.05Å; T105-V107 VanDerWaalsContact CG2-C 3.46Å; T105-V107 WeakPolarHBondContact CG2-O 3.45Å; T105-V107 PolarHBondContact O-N 2.55Å; T105-L108 HydrophobicContact CG2-CD2 3.92Å
106	Q	86	Confident	88.1	Confident	154 Å²	154	72.8 Å²	72.8	72%	0.72	36%	0.364	S	S	*	.	S	Bend	trans	-69	-14.6	171.2	-66.3	174.4	1.4	0	0	112.5	Q124	Q106-Q124 WeakPolarHBondContact O-CB 3.27Å; Q106-Q124 PolarHBondContact O-N 2.86Å
107	V	91.3	Very high	87.9	Confident	57 Å²	57	71.3 Å²	71.3	35%	0.345	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	111	-173.2	-177.2	0	0	0	0	111.1	T105 K109 V121 M122 K123	T105-V107 VanDerWaalsContact CG2-C 3.46Å; T105-V107 WeakPolarHBondContact CG2-O 3.45Å; T105-V107 PolarHBondContact O-N 2.55Å; V107-K109 HydrophobicContact CG1-CG 4.26Å; V107-V121 HydrophobicContact CG1-CB 4.4Å; V107-V121 HydrophobicContact CG1-CG1 3.21Å; V107-M122 CarbonylContact C-O 3.25Å; V107-M122 WeakPolarHBondContact CA-O 3.23Å; V107-K123 HydrophobicContact CG2-CG 4.46Å
108	L	91.4	Very high	87.7	Confident	5 Å²	5	71.5 Å²	71.5	3%	0.026	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115.2	179.2	-62.1	168.4	0	0	0	110.6	L55 I57 F70 I91 L95 T105 V121 M122	L55-L108 HydrophobicContact CD2-CD1 3.73Å; I57-L108 HydrophobicContact CD1-CD1 4.4Å; F70-L108 HydrophobicContact CD1-CD1 3.69Å; F70-L108 HydrophobicContact CD1-CG 3.91Å; F70-L108 HydrophobicContact CD2-CD1 3.92Å; F70-L108 HydrophobicContact CE1-CD1 3.64Å; F70-L108 HydrophobicContact CE1-CD2 4.5Å; F70-L108 HydrophobicContact CE1-CG 3.61Å; F70-L108 HydrophobicContact CE2-CD1 3.86Å; F70-L108 HydrophobicContact CG-CD1 3.86Å; F70-L108 HydrophobicContact CZ-CD1 3.75Å; F70-L108 HydrophobicContact CZ-CG 4.02Å; I91-L108 HydrophobicContact CD1-CB 4.16Å; I91-L108 HydrophobicContact CG2-CD1 3.95Å; L95-L108 HydrophobicContact CD2-CD1 4.43Å; L95-L108 HydrophobicContact CD2-CD2 3.75Å; L95-L108 HydrophobicContact CG-CD2 4.37Å; T105-L108 HydrophobicContact CG2-CD2 3.92Å; L108-V121 VanDerWaalsContact O-CG1 3.29Å; L108-V121 WeakPolarHBondContact O-CG1 3.21Å; L108-M122 HydrophobicContact CB-CB 4.16Å; L108-M122 PolarHBondContact N-O 3.1Å; L108-M122 PolarHBondContact O-N 3.2Å
109	K	87.9	Confident	87.6	Confident	151 Å²	151	75.8 Å²	75.8	66%	0.657	40%	0.395	S	S	*	.			trans	-106.4	121.2	-180	-66.2	179.5	-178.5	175.2	0	110.4	V107 V121	V107-K109 HydrophobicContact CG1-CG 4.26Å; K109-V121 HydrophobicContact CG-CG1 3.81Å
110	A	90.4	Very high	87.5	Confident	5 Å²	5	72.4 Å²	72.4	4%	0.041	37%	0.374	C	S	.	.			trans	-83.8	130	168.5	0	0	0	0	0	110.2	Y87 I91 M112 C113	Y87-A110 HydrophobicContact CD2-CB 3.44Å; Y87-A110 VanDerWaalsContact CD2-CB 3.44Å; Y87-A110 HydrophobicContact CE2-CB 3.32Å; Y87-A110 HydrophobicContact CG-CB 4.29Å; I91-A110 HydrophobicContact CD1-CB 3.92Å; A110-M112 HydrophobicContact CB-CG 4.09Å; A110-M112 PolarHBondContact O-N 2.85Å; A110-C113 PolarHBondContact O-N 2.94Å
111	T	91.2	Very high	87.5	Confident	77 Å²	77	70.5 Å²	70.5	47%	0.472	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-54.2	-36.7	177.3	-56.1	0	0	0	0	112	Q90 C113 Q114	Q90-T111 VanDerWaalsContact OE1-N 3.14Å; T111-C113 PolarHBondContact O-N 2.96Å; T111-Q114 VanDerWaalsContact O-CG 3.28Å; T111-Q114 WeakPolarHBondContact O-CG 3.46Å; T111-Q114 PolarHBondContact O-N 3.3Å
112	M	91.9	Very high	87.7	Confident	42 Å²	42	70.5 Å²	70.5	21%	0.207	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-67	-14.7	177.4	66.2	-170.2	-74.8	0	0	114.6	P79 I86 Y87 A110	P79-M112 HydrophobicContact CB-CB 4.25Å; P79-M112 HydrophobicContact CB-CE 3.49Å; P79-M112 VanDerWaalsContact CB-CE 3.49Å; P79-M112 HydrophobicContact CB-CG 4.48Å; P79-M112 WeakPolarHBondContact CG-O 3.49Å; P79-M112 VanDerWaalsContact O-CE 3.23Å; P79-M112 WeakPolarHBondContact O-CE 3.43Å; I86-M112 HydrophobicContact CB-SD 4.41Å; I86-M112 HydrophobicContact CG2-SD 3.95Å; Y87-M112 WeakPolarHBondContact CA-SD 3.43Å; Y87-M112 VanDerWaalsContact CB-SD 3.59Å; Y87-M112 HydrophobicContact CD2-CG 4.16Å; Y87-M112 HydrophobicContact CD2-SD 4.1Å; Y87-M112 HydrophobicContact CG-SD 4.33Å; Y87-M112 PolarHBondContact N-SD 2.85Å; A110-M112 HydrophobicContact CB-CG 4.09Å; A110-M112 PolarHBondContact O-N 2.85Å
113	C	92	Very high	87.9	Confident	13 Å²	13	74.8 Å²	74.8	9%	0.088	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-115.6	22.9	-178.5	-63	0	0	0	0	113	C77 Y87 A110 T111 K115 A116	C77-C113 HydrophobicContact CB-CB 3.87Å; C77-C113 WeakPolarHBondContact CB-SG 3.02Å; C77-C113 WeakPolarHBondContact SG-CA 3.35Å; C77-C113 WeakPolarHBondContact SG-CB 3.31Å; C77-C113 CovalentContact SG-SG 2.03Å; C77-C113 PolarHBondContact SG-SG 2.86Å; Y87-C113 HydrophobicContact CE2-CB 4.49Å; A110-C113 PolarHBondContact O-N 2.94Å; T111-C113 PolarHBondContact O-N 2.96Å; C113-K115 PolarHBondContact O-N 2.93Å; C113-K115 VanDerWaalsContact O-N 3.16Å; C113-A116 HydrophobicContact CB-CB 3.98Å; C113-A116 WeakPolarHBondContact O-CB 3.04Å; C113-A116 PolarHBondContact O-N 2.9Å
114	Q	88.7	Confident	88.6	Confident	153 Å²	153	69.8 Å²	69.8	72%	0.715	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-33.4	-178.6	-79.9	174.7	9.9	0	0	114.7	T111	T111-Q114 VanDerWaalsContact O-CG 3.28Å; T111-Q114 WeakPolarHBondContact O-CG 3.46Å; T111-Q114 PolarHBondContact O-N 3.3Å
115	K	88.9	Confident	90.1	Very high	214 Å²	214	70.7 Å²	70.7	93%	0.93	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	5.1	179.7	-60	-176.8	-179.2	-179.6	0	113.3	C113	C113-K115 PolarHBondContact O-N 2.93Å; C113-K115 VanDerWaalsContact O-N 3.16Å
116	A	88.4	Confident	91	Very high	26 Å²	26	70.4 Å²	70.4	22%	0.215	36%	0.36	C	S	.	.	S	Bend	trans	-77.5	155.6	-179.4	0	0	0	0	0	110.6	C77 C113 A120	C77-A116 HydrophobicContact CB-CB 3.95Å; C113-A116 HydrophobicContact CB-CB 3.98Å; C113-A116 WeakPolarHBondContact O-CB 3.04Å; C113-A116 PolarHBondContact O-N 2.9Å; A116-A120 HydrophobicContact CB-CB 3.46Å; A116-A120 VanDerWaalsContact CB-CB 3.46Å
117	P	89.4	Confident	91.4	Very high	62 Å²	62	66 Å²	66	40%	0.403	35%	0.35	S	S	.	.			trans	-59.9	160.3	173.4	26.7	-35.4	0	0	0	111	V76 E119 A120	V76-P117 HydrophobicContact CB-CG 4.29Å; V76-P117 HydrophobicContact CG2-CG 3.56Å; P117-E119 PolarHBondContact O-N 2.78Å; P117-E119 VanDerWaalsContact O-N 3.08Å; P117-A120 WeakPolarHBondContact O-CB 3.26Å; P117-A120 PolarHBondContact O-N 2.74Å
118	T	88.8	Confident	91.4	Very high	101 Å²	101	64.4 Å²	64.4	62%	0.62	35%	0.345	S	S	*	.	G	3₁₀ helix	trans	-61.4	-21.6	-176.2	51.5	0	0	0	0	113.6	A120 V121	T118-A120 VanDerWaalsContact C-N 3.27Å; T118-A120 PolarHBondContact O-N 2.67Å; T118-V121 PolarHBondContact O-N 3.13Å
119	E	89	Confident	91.4	Very high	117 Å²	117	69.5 Å²	69.5	55%	0.547	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-65.7	-26.9	172.7	-64.7	150.8	-152.3	0	0	113	K73 P117 V121	K73-E119 PolarHBondContact N-O 2.83Å; P117-E119 PolarHBondContact O-N 2.78Å; P117-E119 VanDerWaalsContact O-N 3.08Å; E119-V121 PolarHBondContact O-N 3.28Å
120	A	91.5	Very high	91.2	Very high	1 Å²	1	67.8 Å²	67.8	1%	0.008	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-71.9	-15.6	178.5	0	0	0	0	0	113.6	K73 V76 C77 Y87 A116 P117 T118	K73-A120 WeakPolarHBondContact O-CA 3.29Å; V76-A120 HydrophobicContact CG2-CB 3.42Å; V76-A120 VanDerWaalsContact CG2-CB 3.42Å; C77-A120 HydrophobicContact CB-CB 4.25Å; Y87-A120 PolarHBondContact OH-O 2.87Å; A116-A120 HydrophobicContact CB-CB 3.46Å; A116-A120 VanDerWaalsContact CB-CB 3.46Å; P117-A120 WeakPolarHBondContact O-CB 3.26Å; P117-A120 PolarHBondContact O-N 2.74Å; T118-A120 VanDerWaalsContact C-N 3.27Å; T118-A120 PolarHBondContact O-N 2.67Å
121	V	92.7	Very high	90.3	Very high	26 Å²	26	71.8 Å²	71.8	16%	0.158	39%	0.39	C	S	.	.	S	Bend	trans	-90.7	137.4	-172.9	-169.1	0	0	0	0	109.2	V107 L108 K109 T118 E119	V107-V121 HydrophobicContact CG1-CB 4.4Å; V107-V121 HydrophobicContact CG1-CG1 3.21Å; L108-V121 VanDerWaalsContact O-CG1 3.29Å; L108-V121 WeakPolarHBondContact O-CG1 3.21Å; K109-V121 HydrophobicContact CG-CG1 3.81Å; T118-V121 PolarHBondContact O-N 3.13Å; E119-V121 PolarHBondContact O-N 3.28Å
122	M	94.4	Very high	88.9	Confident	0 Å²	0	73 Å²	73	0%	0	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	122.1	178.8	-62.3	-66.4	-68.6	0	0	109.4	M53 L55 F70 T71 P74 Y87 W88 V107 L108	M53-M122 WeakPolarHBondContact O-CE 3.24Å; L55-M122 HydrophobicContact CB-CE 3.4Å; L55-M122 VanDerWaalsContact CB-CE 3.4Å; F70-M122 HydrophobicContact CB-CB 4.1Å; F70-M122 HydrophobicContact CB-CE 4.02Å; T71-M122 WeakPolarHBondContact O-CA 3.4Å; P74-M122 HydrophobicContact CG-SD 3.81Å; Y87-M122 WeakPolarHBondContact OH-CG 3.14Å; W88-M122 HydrophobicContact CH2-CE 4.27Å; W88-M122 HydrophobicContact CH2-SD 4.42Å; V107-M122 CarbonylContact C-O 3.25Å; V107-M122 WeakPolarHBondContact CA-O 3.23Å; L108-M122 HydrophobicContact CB-CB 4.16Å; L108-M122 PolarHBondContact N-O 3.1Å; L108-M122 PolarHBondContact O-N 3.2Å
123	K	94.7	Very high	87.1	Confident	104 Å²	104	77.6 Å²	77.6	45%	0.452	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	135.8	-179.2	-63	179.6	-175.9	173.9	0	110.2	F70 T71 V107 I125	F70-K123 CarbonylContact C-O 3.47Å; F70-K123 WeakPolarHBondContact CA-O 3.28Å; T71-K123 PolarHBondContact N-O 3.17Å; T71-K123 PolarHBondContact O-N 3.46Å; V107-K123 HydrophobicContact CG2-CG 4.46Å; K123-I125 PolarHBondContact O-N 2.94Å
124	Q	94.9	Very high	85	Confident	47 Å²	47	85 Å²	85	22%	0.22	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	129.7	178.3	-163.9	172.6	16.3	0	0	109.5	C68 E69 F70 C102 Q106	C68-Q124 HydrophobicContact CB-CG 4.45Å; C68-Q124 VanDerWaalsContact CB-NE2 3.31Å; E69-Q124 CarbonylContact O-C 3.54Å; E69-Q124 WeakPolarHBondContact O-CA 3.12Å; F70-Q124 VanDerWaalsContact CD1-CA 3.5Å; F70-Q124 HydrophobicContact CD1-CB 3.8Å; F70-Q124 HydrophobicContact CD1-CG 4.46Å; F70-Q124 VanDerWaalsContact CD1-N 3.25Å; F70-Q124 HydrophobicContact CE1-CB 3.56Å; F70-Q124 HydrophobicContact CE1-CG 4.06Å; F70-Q124 HydrophobicContact CE2-CG 4.44Å; F70-Q124 HydrophobicContact CG-CB 4.47Å; F70-Q124 HydrophobicContact CZ-CB 4.06Å; F70-Q124 HydrophobicContact CZ-CG 4.04Å; C102-Q124 PolarHBondContact O-NE2 3.38Å; Q106-Q124 WeakPolarHBondContact O-CB 3.27Å; Q106-Q124 PolarHBondContact O-N 2.86Å
125	I	94.7	Very high	83.2	Confident	91 Å²	91	82.5 Å²	82.5	47%	0.467	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	-24.6	178	57.2	167.1	0	0	0	112.2	E69 T71 K123	E69-I125 HydrophobicContact CB-CD1 4.22Å; E69-I125 HydrophobicContact CB-CG1 3.85Å; E69-I125 WeakPolarHBondContact O-CG1 3.05Å; E69-I125 PolarHBondContact O-N 3.39Å; T71-I125 HydrophobicContact CG2-CG2 3.46Å; T71-I125 VanDerWaalsContact CG2-CG2 3.46Å; K123-I125 PolarHBondContact O-N 2.94Å
126	A	93.5	Very high	81.4	Confident	32 Å²	32	79.3 Å²	79.3	26%	0.264	45%	0.452	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	154.9	179.1	0	0	0	0	0	111	W67 C68 E69	W67-A126 HydrophobicContact CH2-CB 3.8Å; W67-A126 HydrophobicContact CZ3-CB 3.69Å; C68-A126 CarbonylContact C-O 3.56Å; C68-A126 VanDerWaalsContact CA-O 3.29Å; C68-A126 WeakPolarHBondContact CA-O 3.43Å; E69-A126 HydrophobicContact CB-CB 4.4Å; E69-A126 PolarHBondContact N-O 3.1Å; E69-A126 PolarHBondContact O-N 3.18Å
127	A	93.9	Very high	79.2	Confident	62 Å²	62	87 Å²	87	51%	0.512	48%	0.484	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.4	150.3	170.6	0	0	0	0	0	109	W67 C68	W67-A127 CarbonylContact O-C 3.58Å; W67-A127 VanDerWaalsContact O-CA 3.26Å; W67-A127 WeakPolarHBondContact O-CA 3.43Å; C68-A127 HydrophobicContact CB-CB 4.29Å
128	G	91.4	Very high	76.7	Confident	23 Å²	23	91.7 Å²	91.7	24%	0.237	51%	0.505	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.1	161.5	176.7	0	0	0	0	0	111.8	Y66 W67	Y66-G128 CarbonylContact C-O 3.56Å; Y66-G128 WeakPolarHBondContact CA-O 3.22Å; W67-G128 PolarHBondContact N-O 2.85Å; W67-G128 PolarHBondContact O-N 2.89Å
129	M	90.9	Very high	74.7	Confident	112 Å²	112	95.5 Å²	95.5	55%	0.552	51%	0.513	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-138	126.7	177.7	-171.9	172.9	-166.7	0	0	108.4	K64 S65	K64-M129 HydrophobicContact CB-CE 3.89Å; K64-M129 HydrophobicContact CD-CE 3.71Å; K64-M129 HydrophobicContact CG-CE 4.21Å; S65-M129 WeakPolarHBondContact O-CA 3.21Å
130	E	82.9	Confident	72.1	Confident	116 Å²	116	95.3 Å²	95.3	54%	0.542	53%	0.525	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	117.3	177.5	-59	-68.5	125.4	0	0	107.6	S65 E132	S65-E130 PolarHBondContact N-O 2.97Å; S65-E130 PolarHBondContact O-N 3.46Å; S65-E130 VanDerWaalsContact O-O 3.09Å; S65-E130 PolarHBondContact OG-O 3.06Å; E130-E132 PolarHBondContact O-N 3.47Å
131	P	71.9	Confident	69.3	Low	89 Å²	89	100.1 Å²	100.1	58%	0.578	55%	0.554	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-58.9	131.8	162.1	-13.2	27	0	0	0	108.2	D133	P131-D133 PolarHBondContact O-N 3.15Å
132	E	63.3	Low	66.7	Low	102 Å²	102	106.7 Å²	106.7	48%	0.477	58%	0.583	S	S	.	*			trans	-77.6	70.9	169.4	-59.8	-156.4	141.4	0	0	109.2	K60 G63 E130	K60-E132 IonicContact NZ-OE1 3.42Å; K60-E132 PolarHBondContact NZ-OE1 2.93Å; G63-E132 WeakPolarHBondContact O-CA 3.24Å; G63-E132 WeakPolarHBondContact O-CB 3.39Å; G63-E132 WeakPolarHBondContact O-CG 3.4Å; G63-E132 PolarHBondContact O-N 2.77Å; E130-E132 PolarHBondContact O-N 3.47Å
133	D	52.5	Low	63.7	Low	139 Å²	139	114.4 Å²	114.4	74%	0.743	62%	0.616	S	S	*	*	S	Bend	trans	-122.4	112.1	163.6	-84.8	-49.5	0	0	0	108.7	P131	P131-D133 PolarHBondContact O-N 3.15Å
134	L	48.6	Very low	60.6	Low	167 Å²	167	114.8 Å²	114.8	87%	0.874	63%	0.627	S	S	*	*			trans	50.5	87.7	164.7	-55.5	176.7	0	0	0	116.2	N136	L134-N136 PolarHBondContact O-N 3.15Å
135	A	51	Low	57.7	Low	101 Å²	101	118.5 Å²	118.5	84%	0.835	66%	0.659	S	S	*	*			trans	-53.6	96.7	158.2	0	0	0	0	0	111.5
136	N	49.8	Very low	54.5	Low	147 Å²	147	119.8 Å²	119.8	79%	0.786	67%	0.671	S	S	*	*			trans	168.7	99.4	137.1	-98.8	-70.3	0	0	0	109.1	L134	L134-N136 PolarHBondContact O-N 3.15Å
137	Q	43.9	Very low	51.5	Low	189 Å²	189	123.1 Å²	123.1	88%	0.883	69%	0.692	S	S	*	*				-173	115.2	128.8	-105.2	164.8	70.4	0	0	112.2
138	D	37.1	Very low	48.3	Very low	159 Å²	159	126.3 Å²	126.3	85%	0.85	71%	0.705	S	S	*	*			trans	64.8	147.6	136.9	-119.5	-79.1	0	0	0	123.6
139	K	45.1	Very low	45.3	Very low	182 Å²	182	134.8 Å²	134.8	79%	0.791	74%	0.736	S	S	*	*			trans	-110.8	118.5	-161.4	171.2	-162.2	-176.9	-161.4	0	106.3
140	S	35.7	Very low	42.2	Very low	113 Å²	113	133.4 Å²	133.4	79%	0.79	75%	0.75	S	S	*	*			trans	-162.7	100.2	162.4	-162.2	0	0	0	0	108.9
141	V	33.2	Very low	39.6	Very low	101 Å²	101	133.1 Å²	133.1	61%	0.612	77%	0.767	S	S	*	*				69.4	126.3	85.4	177.2	0	0	0	0	113.1
142	Q	36.9	Very low	37.3	Very low	164 Å²	164	132.3 Å²	132.3	77%	0.766	78%	0.775	S	S	*	*			trans	77.7	143.9	158.3	-92.3	166.5	-101.4	0	0	117.4
143	K	32.3	Very low	35.5	Very low	163 Å²	163	139.6 Å²	139.6	71%	0.709	80%	0.798	S	S	*	*			cis	-166.8	145.1	2	-167.5	168.9	175.3	177.8	0	106.7
144	T	29.2	Very low	34.5	Very low	112 Å²	112	138.7 Å²	138.7	69%	0.687	80%	0.803	S	S	*	*			trans	-6.4	131.6	143.1	-15	0	0	0	0	116.6
145	S	34.7	Very low	33.6	Very low	125 Å²	125	136 Å²	136	87%	0.874	80%	0.798	S	S	*	*			trans	-135.9	133.4	139.3	59.6	0	0	0	0	110.8
146	T	26.1	Very low	32.4	Very low	118 Å²	118	136.6 Å²	136.6	72%	0.724	79%	0.791	S	S	*	*			trans	-100.6	159.6	-171.5	-63.5	0	0	0	0	109.2
147	S	30.3	Very low	31.3	Very low	101 Å²	101	138 Å²	138	71%	0.706	79%	0.791	S	S	*	*			trans	79.5	137.1	160.6	-125.3	0	0	0	0	115
148	T	27.3	Very low	30.5	Very low	129 Å²	129	136.7 Å²	136.7	79%	0.791	78%	0.782	S	S	*	*			cis	-161.5	153	48.1	-38	0	0	0	0	112.1
149	K	28.2	Very low	30.1	Very low	202 Å²	202	135.5 Å²	135.5	88%	0.878	78%	0.78	S	S	*	*			trans	-47.3	153.1	172.3	-63.4	168.6	173.9	176.5	0	115
150	G	26.6	Very low	29.3	Very low	82 Å²	82	130.7 Å²	130.7	85%	0.845	78%	0.783	S	S	*	*			trans	-163	101	157.5	0	0	0	0	0	111.5
151	A	27.5	Very low	29.1	Very low	110 Å²	110	135.2 Å²	135.2	91%	0.909	79%	0.788	S	S	*	*			trans	-81.5	149.5	172.8	0	0	0	0	0	110.9
152	G	24.5	Very low	29.4	Very low	73 Å²	73	136 Å²	136	75%	0.753	80%	0.796	S	S	*	*			trans	159.6	88.4	162.7	0	0	0	0	0	118.4
153	R	26	Very low	29.4	Very low	254 Å²	254	133.6 Å²	133.6	96%	0.958	79%	0.794	S	S	*	*			trans	53.4	132.6	134.7	-81.8	177.8	163.9	166.6	-5.5	123.4
154	S	30.7	Very low	29.4	Very low	120 Å²	120	134 Å²	134	84%	0.839	80%	0.802	S	S	*	*			trans	-44.2	148.3	165	-51.7	0	0	0	0	117.3
155	S	29.6	Very low	29.6	Very low	110 Å²	110	136.2 Å²	136.2	77%	0.769	81%	0.809	S	S	*	*				-176.5	123	122.1	-131.9	0	0	0	0	114.5
156	V	26.7	Very low	29.6	Very low	115 Å²	115	135 Å²	135	70%	0.697	80%	0.798	S	S	*	*				83.6	129.3	125.8	171.6	0	0	0	0	123.2
157	K	26.6	Very low	30	Very low	177 Å²	177	137.1 Å²	137.1	77%	0.77	80%	0.804	S	S	*	*			trans	75.2	144.2	150	-93.6	169.9	179.5	172.3	0	118.2
158	K	26.8	Very low	30.2	Very low	161 Å²	161	140.2 Å²	140.2	70%	0.7	81%	0.811	S	S	*	*			cis	-171.8	150.2	4.6	-144.6	175.9	-173.1	-169.1	0	108.6
159	T	27.8	Very low	30.5	Very low	133 Å²	133	142.5 Å²	142.5	82%	0.816	81%	0.81	S	S	*	*			trans	53	127.6	145.3	34	0	0	0	0	123.6
160	G	28.3	Very low	31	Very low	82 Å²	82	138.9 Å²	138.9	85%	0.845	81%	0.807	S	S	*	*			trans	161.8	97.5	148.4	0	0	0	0	0	115.9
161	K	30.8	Very low	31.1	Very low	207 Å²	207	144 Å²	144	90%	0.9	81%	0.811	S	S	*	*			trans	-86.8	163.5	155.1	-91.2	171.4	176.5	178.2	0	107.9
162	P	40.5	Very low	31.8	Very low	119 Å²	119	147 Å²	147	77%	0.773	81%	0.806	S	S	*	*			cis	-147.4	-142.6	41.4	33.1	-5.3	0	0	0	113.2
163	P	37	Very low	32.1	Very low	113 Å²	113	152.5 Å²	152.5	73%	0.734	81%	0.812	S	S	*	*				-112.6	156	-83	34.7	-18.6	0	0	0	113.6
164	I	31.7	Very low	32.2	Very low	172 Å²	172	143.7 Å²	143.7	88%	0.882	80%	0.801	S	S	*	*			trans	-116.8	115.4	167	-64.2	172.3	0	0	0	108.2
165	L	33	Very low	32.4	Very low	158 Å²	158	148.3 Å²	148.3	83%	0.827	81%	0.806	S	S	*	*			trans	-93.1	162.8	165.2	-85.9	169.4	0	0	0	109.6
166	P	35.2	Very low	32.5	Very low	99 Å²	99	146.6 Å²	146.6	64%	0.643	81%	0.805	S	S	*	*				-105.9	152.9	-122.5	37.4	-37	0	0	0	116.4	I168	P166-I168 PolarHBondContact O-N 3.12Å
167	L	34.9	Very low	32.8	Very low	163 Å²	163	146.1 Å²	146.1	85%	0.853	81%	0.807	S	S	*	*			trans	11.7	104.9	130.7	-170.2	68.9	0	0	0	116.4
168	I	35.1	Very low	33.8	Very low	166 Å²	166	142.5 Å²	142.5	85%	0.851	81%	0.81	S	S	*	*	P	Polyproline II helix	trans	-96.4	119.6	160.4	-59.5	178.9	0	0	0	108.3	P166	P166-I168 PolarHBondContact O-N 3.12Å
169	K	33.7	Very low	35	Very low	176 Å²	176	141.3 Å²	141.3	77%	0.765	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-59.1	156.6	176.4	-98.8	170.5	171.2	171	0	112.9
170	P	38.3	Very low	36.5	Very low	127 Å²	127	139.9 Å²	139.9	83%	0.825	80%	0.795	S	S	*	*	P	Polyproline II helix	trans	-74.6	135.4	161.6	32.6	-29.3	0	0	0	109.3
171	M	28.7	Very low	38.8	Very low	189 Å²	189	139.9 Å²	139.9	93%	0.931	78%	0.779	S	S	*	*			trans	-125.3	112.9	170.4	-152.7	166.3	179.5	0	0	108.7
172	Q	42.8	Very low	41.1	Very low	172 Å²	172	137.1 Å²	137.1	80%	0.804	77%	0.77	S	S	*	*			trans	-72.8	139.4	162.2	-73.9	-152.3	-17.1	0	0	109.9
173	H	30.7	Very low	43.1	Very low	190 Å²	190	132.3 Å²	132.3	88%	0.88	74%	0.739	S	S	*	*			trans	168.7	142.7	137.4	-99.1	67.9	0	0	0	106.4
174	G	27.6	Very low	45.2	Very low	69 Å²	69	129.9 Å²	129.9	71%	0.711	72%	0.719	S	S	*	*			cis	-166	168.1	16.9	0	0	0	0	0	112.5
175	K	34.7	Very low	47.7	Very low	217 Å²	217	126.6 Å²	126.6	94%	0.943	70%	0.699	S	S	*	*			trans	-74.4	137.2	170.5	177.3	166.8	-179.4	173.2	0	109.3
176	G	31.7	Very low	50	Low	74 Å²	74	121.2 Å²	121.2	76%	0.763	67%	0.67	S	S	*	*			trans	108.9	102.8	151.3	0	0	0	0	0	116.1
177	S	33.4	Very low	52.5	Low	105 Å²	105	116.5 Å²	116.5	73%	0.734	64%	0.64	S	S	*	*				167.2	123.1	115.9	-177	0	0	0	0	108	N179	S177-N179 VanDerWaalsContact C-N 3.28Å; S177-N179 PolarHBondContact O-N 3.19Å
178	A	47.6	Very low	54.8	Low	100 Å²	100	114.9 Å²	114.9	83%	0.826	62%	0.622	S	S	*	*			trans	-72	81.1	-179.5	0	0	0	0	0	110.4
179	N	50.7	Low	57.3	Low	137 Å²	137	113.1 Å²	113.1	73%	0.733	61%	0.61	S	S	*	*			trans	-118.5	89.8	155.7	-68.5	-21.5	0	0	0	105.7	S177 T181	S177-N179 VanDerWaalsContact C-N 3.28Å; S177-N179 PolarHBondContact O-N 3.19Å; N179-T181 PolarHBondContact O-N 3.01Å; N179-T181 VanDerWaalsContact O-N 3.1Å
180	E	59.8	Low	59.6	Low	102 Å²	102	111.5 Å²	111.5	48%	0.477	61%	0.605	S	S	.	*			trans	-58.3	114.7	178.9	-167.2	169.5	160.2	0	0	108.7	M184 R188	E180-M184 HydrophobicContact CG-CB 4.12Å; E180-M184 HydrophobicContact CG-CG 4.29Å; E180-R188 IonicContact OE1-CZ 3.75Å; E180-R188 IonicContact OE1-NE 3.3Å; E180-R188 IonicContact OE1-NH1 3.2Å; E180-R188 PolarHBondContact OE1-NH1 2.97Å; E180-R188 IonicContact OE2-CZ 2.93Å; E180-R188 IonicContact OE2-NH1 2.78Å; E180-R188 PolarHBondContact OE2-NH1 3.31Å
181	T	77.4	Confident	62	Low	83 Å²	83	107.5 Å²	107.5	51%	0.509	58%	0.58	S	S	.	*			trans	-71.6	146.7	179.6	59.5	0	0	0	0	109.2	N179 A183 M184 K185	N179-T181 PolarHBondContact O-N 3.01Å; N179-T181 VanDerWaalsContact O-N 3.1Å; T181-A183 PolarHBondContact O-N 2.74Å; T181-M184 WeakPolarHBondContact O-CA 3.32Å; T181-M184 VanDerWaalsContact O-CB 3.31Å; T181-M184 WeakPolarHBondContact O-CB 3.23Å; T181-M184 PolarHBondContact O-N 2.83Å; T181-M184 WeakPolarHBondContact OG1-CB 3.24Å; T181-M184 PolarHBondContact OG1-N 2.85Å; T181-K185 PolarHBondContact O-N 2.8Å
182	E	79.2	Confident	64.7	Low	149 Å²	149	107.8 Å²	107.8	70%	0.696	57%	0.571	S	S	*	*	H	α-helix	trans	-50.9	-32.7	174.9	-72.7	-68.6	129.4	0	0	111.9	K185 L186	E182-K185 PolarHBondContact O-N 3.43Å; E182-L186 WeakPolarHBondContact O-CB 3.01Å; E182-L186 PolarHBondContact O-N 2.87Å
183	A	82.1	Confident	66.7	Low	17 Å²	17	107.2 Å²	107.2	14%	0.14	57%	0.568	C	S	.	*	H	α-helix	trans	-69.8	-35.5	174.1	0	0	0	0	0	113.8	T181 A187 S200 I203	T181-A183 PolarHBondContact O-N 2.74Å; A183-A187 VanDerWaalsContact O-CB 3.3Å; A183-A187 WeakPolarHBondContact O-CB 3.4Å; A183-A187 PolarHBondContact O-N 3.34Å; A183-S200 WeakPolarHBondContact CB-O 3.29Å; A183-I203 HydrophobicContact CB-CB 4.3Å; A183-I203 HydrophobicContact CB-CG2 3.91Å
184	M	80.1	Confident	69.3	Low	63 Å²	63	103.1 Å²	103.1	31%	0.31	56%	0.561	S	S	.	*	H	α-helix	trans	-68.7	-39.1	174	-164.1	85.5	171.4	0	0	111.2	E180 T181 A187 R188	E180-M184 HydrophobicContact CG-CB 4.12Å; E180-M184 HydrophobicContact CG-CG 4.29Å; T181-M184 WeakPolarHBondContact O-CA 3.32Å; T181-M184 VanDerWaalsContact O-CB 3.31Å; T181-M184 WeakPolarHBondContact O-CB 3.23Å; T181-M184 PolarHBondContact O-N 2.83Å; T181-M184 WeakPolarHBondContact OG1-CB 3.24Å; T181-M184 PolarHBondContact OG1-N 2.85Å; M184-A187 PolarHBondContact O-N 3.35Å; M184-R188 PolarHBondContact O-N 2.03Å; M184-R188 VanDerWaalsContact O-N 3.1Å
185	K	84.1	Confident	72.1	Confident	103 Å²	103	104.5 Å²	104.5	45%	0.448	55%	0.551	S	S	.	*	H	α-helix	trans	-63.2	-48.2	175.5	-173.6	179.3	179	-171.6	0	111.2	T181 E182 A187 R188 E189	T181-K185 PolarHBondContact O-N 2.8Å; E182-K185 PolarHBondContact O-N 3.43Å; K185-A187 VanDerWaalsContact C-N 3.29Å; K185-A187 PolarHBondContact O-N 3.23Å; K185-R188 WeakPolarHBondContact O-CB 3.34Å; K185-R188 PolarHBondContact O-N 3.32Å; K185-R188 VanDerWaalsContact O-N 3.09Å; K185-E189 PolarHBondContact O-N 2.92Å
186	L	82.6	Confident	74.5	Confident	44 Å²	44	95.3 Å²	95.3	23%	0.23	51%	0.512	C	S	.	.	H	α-helix	trans	-64.1	-35.6	177.1	-161.7	73.3	0	0	0	112.2	E182 R188 E189 H190 I203	E182-L186 WeakPolarHBondContact O-CB 3.01Å; E182-L186 PolarHBondContact O-N 2.87Å; L186-R188 VanDerWaalsContact C-N 3.29Å; L186-R188 PolarHBondContact O-N 3.27Å; L186-E189 PolarHBondContact O-N 3.19Å; L186-H190 PolarHBondContact O-N 2.9Å; L186-I203 HydrophobicContact CB-CD1 4.19Å; L186-I203 HydrophobicContact CB-CG2 4.46Å; L186-I203 HydrophobicContact CD2-CD1 4.08Å; L186-I203 HydrophobicContact CD2-CG1 4.44Å; L186-I203 HydrophobicContact CD2-CG2 3.7Å; L186-I203 HydrophobicContact CG-CD1 4.24Å
187	A	86.7	Confident	76.9	Confident	0 Å²	0	94.3 Å²	94.3	0%	0	50%	0.501	C	S	.	.	H	α-helix	trans	-64	-33	174.3	0	0	0	0	0	112.3	A183 M184 K185 C191 H196 C199 I203	A183-A187 VanDerWaalsContact O-CB 3.3Å; A183-A187 WeakPolarHBondContact O-CB 3.4Å; A183-A187 PolarHBondContact O-N 3.34Å; M184-A187 PolarHBondContact O-N 3.35Å; K185-A187 VanDerWaalsContact C-N 3.29Å; K185-A187 PolarHBondContact O-N 3.23Å; A187-C191 WeakPolarHBondContact O-CA 2.95Å; A187-C191 WeakPolarHBondContact O-CB 3.45Å; A187-C191 PolarHBondContact O-N 3.19Å; A187-H196 PolarHBondContact O-CD2 3.31Å; A187-H196 PolarHBondContact O-NE2 3.3Å; A187-C199 HydrophobicContact CB-CB 4.07Å; A187-I203 HydrophobicContact CB-CD1 4.18Å
188	R	84.6	Confident	79.5	Confident	130 Å²	130	96 Å²	96	49%	0.491	50%	0.496	S	S	.	.	H	α-helix	trans	-67.8	-36.8	175.9	-75	178.4	178.2	164.7	1.1	113.3	E180 M184 K185 L186	E180-R188 IonicContact OE1-CZ 3.75Å; E180-R188 IonicContact OE1-NE 3.3Å; E180-R188 IonicContact OE1-NH1 3.2Å; E180-R188 PolarHBondContact OE1-NH1 2.97Å; E180-R188 IonicContact OE2-CZ 2.93Å; E180-R188 IonicContact OE2-NH1 2.78Å; E180-R188 PolarHBondContact OE2-NH1 3.31Å; M184-R188 PolarHBondContact O-N 2.03Å; M184-R188 VanDerWaalsContact O-N 3.1Å; K185-R188 WeakPolarHBondContact O-CB 3.34Å; K185-R188 PolarHBondContact O-N 3.32Å; K185-R188 VanDerWaalsContact O-N 3.09Å; L186-R188 VanDerWaalsContact C-N 3.29Å; L186-R188 PolarHBondContact O-N 3.27Å
189	E	86	Confident	81.3	Confident	129 Å²	129	91.8 Å²	91.8	60%	0.603	46%	0.46	S	S	*	.	H	α-helix	trans	-79.5	-33.9	-177.6	-66.6	178.7	-176.2	0	0	112.9	K185 L186	K185-E189 PolarHBondContact O-N 2.92Å; L186-E189 PolarHBondContact O-N 3.19Å
190	H	82.5	Confident	83.2	Confident	142 Å²	142	86.1 Å²	86.1	66%	0.657	43%	0.431	S	S	*	.	H	α-helix	trans	-115.6	-11.3	-171	-66	-46.1	0	0	0	115.3	L186	L186-H190 PolarHBondContact O-N 2.9Å
191	C	88.2	Confident	84.4	Confident	43 Å²	43	88.7 Å²	88.7	29%	0.291	44%	0.438	S	S	.	.	S	Bend	trans	-118.2	157.1	-178.8	-74.8	0	0	0	0	113.2	A187 H196 C199	A187-C191 WeakPolarHBondContact O-CA 2.95Å; A187-C191 WeakPolarHBondContact O-CB 3.45Å; A187-C191 PolarHBondContact O-N 3.19Å; C191-H196 PolarHBondContact O-CD2 2.99Å; C191-H196 VanDerWaalsContact O-CD2 3.3Å; C191-H196 PolarHBondContact O-NE2 2.8Å; C191-C199 HydrophobicContact CB-CB 3.44Å; C191-C199 VanDerWaalsContact CB-CB 3.44Å; C191-C199 WeakPolarHBondContact CB-SG 3.42Å; C191-C199 WeakPolarHBondContact SG-CB 3.38Å; C191-C199 CovalentContact SG-SG 2.01Å; C191-C199 PolarHBondContact SG-SG 2.84Å
192	W	87.2	Confident	85	Confident	194 Å²	194	87 Å²	87	74%	0.735	43%	0.427	S	S	*	.			trans	-66.9	142.7	177.2	-162.9	-90.9	0	0	0	110.9	S194 L195 H196	W192-S194 PolarHBondContact O-N 3.31Å; W192-S194 VanDerWaalsContact O-N 3.15Å; W192-L195 HydrophobicContact CB-CD1 4.42Å; W192-L195 CarbonylContact O-C 3.53Å; W192-L195 WeakPolarHBondContact O-CA 3.46Å; W192-L195 PolarHBondContact O-N 2.99Å; W192-H196 VanDerWaalsContact C-CD2 3.49Å; W192-H196 PolarHBondContact O-CD2 2.85Å; W192-H196 PolarHBondContact O-N 3.41Å
193	E	83.3	Confident	85.2	Confident	161 Å²	161	81.2 Å²	81.2	75%	0.752	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-58.4	-34.6	-171.6	-152.1	149.2	-159.2	0	0	113.7	L195 H196	E193-L195 PolarHBondContact O-N 3.42Å; E193-H196 WeakPolarHBondContact CA-NE2 3.46Å
194	S	86.7	Confident	85.3	Confident	104 Å²	104	82 Å²	82	73%	0.727	41%	0.411	S	S	*	.	G	3₁₀ helix	trans	-73.1	-9.9	174.6	-44.3	0	0	0	0	114.8	W192	W192-S194 PolarHBondContact O-N 3.31Å; W192-S194 VanDerWaalsContact O-N 3.15Å
195	L	84.9	Confident	85.6	Confident	98 Å²	98	83.5 Å²	83.5	51%	0.513	42%	0.419	S	S	.	.	G	3₁₀ helix	trans	-120.1	3.4	-175.4	-68.6	172.1	0	0	0	113.1	W192 E193 G197 F198 C199	W192-L195 HydrophobicContact CB-CD1 4.42Å; W192-L195 CarbonylContact O-C 3.53Å; W192-L195 WeakPolarHBondContact O-CA 3.46Å; W192-L195 PolarHBondContact O-N 2.99Å; E193-L195 PolarHBondContact O-N 3.42Å; L195-G197 VanDerWaalsContact C-N 3.25Å; L195-G197 PolarHBondContact O-N 2.95Å; L195-F198 PolarHBondContact O-N 3.18Å; L195-F198 VanDerWaalsContact O-N 3.1Å; L195-C199 VanDerWaalsContact O-CB 3.29Å; L195-C199 WeakPolarHBondContact O-CB 3.21Å; L195-C199 PolarHBondContact O-N 2.03Å
196	H	85.6	Confident	85.3	Confident	24 Å²	24	86.7 Å²	86.7	11%	0.111	43%	0.433	C	S	.	.	H	α-helix	trans	-52.6	-41.4	-178	-72.2	174.9	0	0	0	112.9	A187 C191 W192 E193 C199 S200	A187-H196 PolarHBondContact O-CD2 3.31Å; A187-H196 PolarHBondContact O-NE2 3.3Å; C191-H196 PolarHBondContact O-CD2 2.99Å; C191-H196 VanDerWaalsContact O-CD2 3.3Å; C191-H196 PolarHBondContact O-NE2 2.8Å; W192-H196 VanDerWaalsContact C-CD2 3.49Å; W192-H196 PolarHBondContact O-CD2 2.85Å; W192-H196 PolarHBondContact O-N 3.41Å; E193-H196 WeakPolarHBondContact CA-NE2 3.46Å; H196-C199 PolarHBondContact O-N 3.47Å; H196-S200 WeakPolarHBondContact O-CB 3.14Å; H196-S200 PolarHBondContact O-N 3.44Å; H196-S200 PolarHBondContact O-OG 2.8Å
197	G	82.3	Confident	84.7	Confident	53 Å²	53	93.7 Å²	93.7	55%	0.546	46%	0.456	S	S	.	.	H	α-helix	trans	-68.3	-35.3	179.6	0	0	0	0	0	114.8	L195 S200	L195-G197 VanDerWaalsContact C-N 3.25Å; L195-G197 PolarHBondContact O-N 2.95Å; G197-S200 PolarHBondContact O-OG 3.4Å
198	F	87.6	Confident	83.2	Confident	140 Å²	140	99.6 Å²	99.6	61%	0.614	52%	0.517	S	S	*	.	H	α-helix	trans	-76.9	-39.2	174	177.9	-101	0	0	0	111	L195 Y201 V202	L195-F198 PolarHBondContact O-N 3.18Å; L195-F198 VanDerWaalsContact O-N 3.1Å; F198-Y201 WeakPolarHBondContact O-CB 3.37Å; F198-Y201 PolarHBondContact O-N 3.49Å; F198-V202 HydrophobicContact CD1-CG2 4.27Å; F198-V202 HydrophobicContact CE1-CG2 3.8Å; F198-V202 HydrophobicContact CE2-CG2 4.23Å; F198-V202 HydrophobicContact CZ-CG2 3.78Å; F198-V202 WeakPolarHBondContact O-CG2 3.49Å; F198-V202 PolarHBondContact O-N 2.99Å; F198-V202 VanDerWaalsContact O-N 3.07Å
199	C	86.2	Confident	83.1	Confident	12 Å²	12	98.1 Å²	98.1	8%	0.081	52%	0.519	C	S	.	.	H	α-helix	trans	-66.3	-42.9	179.7	176.4	0	0	0	0	112.3	A187 C191 L195 H196 Y201 V202 I203	A187-C199 HydrophobicContact CB-CB 4.07Å; C191-C199 HydrophobicContact CB-CB 3.44Å; C191-C199 VanDerWaalsContact CB-CB 3.44Å; C191-C199 WeakPolarHBondContact CB-SG 3.42Å; C191-C199 WeakPolarHBondContact SG-CB 3.38Å; C191-C199 CovalentContact SG-SG 2.01Å; C191-C199 PolarHBondContact SG-SG 2.84Å; L195-C199 VanDerWaalsContact O-CB 3.29Å; L195-C199 WeakPolarHBondContact O-CB 3.21Å; L195-C199 PolarHBondContact O-N 2.03Å; H196-C199 PolarHBondContact O-N 3.47Å; C199-Y201 VanDerWaalsContact C-N 3.26Å; C199-Y201 PolarHBondContact O-N 3.07Å; C199-V202 PolarHBondContact O-N 2.82Å; C199-I203 WeakPolarHBondContact O-CB 3.21Å; C199-I203 VanDerWaalsContact O-CG1 3.24Å; C199-I203 WeakPolarHBondContact O-CG1 3.03Å; C199-I203 PolarHBondContact O-N 3.49Å; C199-I203 WeakPolarHBondContact SG-CD1 3.35Å
200	S	89.7	Confident	82.9	Confident	18 Å²	18	96.5 Å²	96.5	13%	0.126	51%	0.514	C	S	.	.	H	α-helix	trans	-62	-36.4	175.3	66.4	0	0	0	0	111.9	A183 H196 G197 G204	A183-S200 WeakPolarHBondContact CB-O 3.29Å; H196-S200 WeakPolarHBondContact O-CB 3.14Å; H196-S200 PolarHBondContact O-N 3.44Å; H196-S200 PolarHBondContact O-OG 2.8Å; G197-S200 PolarHBondContact O-OG 3.4Å; S200-G204 PolarHBondContact O-N 3.11Å
201	Y	86.4	Confident	83	Confident	156 Å²	156	93.9 Å²	93.9	61%	0.612	51%	0.506	S	S	*	.	H	α-helix	trans	-63.9	-46.8	175.6	177.3	-101.4	0	0	0	111.8	F198 C199 G204 I205	F198-Y201 WeakPolarHBondContact O-CB 3.37Å; F198-Y201 PolarHBondContact O-N 3.49Å; C199-Y201 VanDerWaalsContact C-N 3.26Å; C199-Y201 PolarHBondContact O-N 3.07Å; Y201-G204 PolarHBondContact O-N 3.48Å; Y201-I205 HydrophobicContact CD1-CD1 3.87Å; Y201-I205 HydrophobicContact CE1-CD1 3.41Å; Y201-I205 VanDerWaalsContact CE1-CD1 3.41Å; Y201-I205 HydrophobicContact CE2-CD1 4.38Å; Y201-I205 WeakPolarHBondContact O-CG1 3.19Å; Y201-I205 PolarHBondContact O-N 3.16Å; Y201-I205 VanDerWaalsContact O-N 3.14Å
202	V	88.2	Confident	82.7	Confident	47 Å²	47	96.9 Å²	96.9	29%	0.285	52%	0.519	S	S	.	.	H	α-helix	trans	-66	-44	177.4	176.5	0	0	0	0	111.4	F198 C199 G204 I205 F206	F198-V202 HydrophobicContact CD1-CG2 4.27Å; F198-V202 HydrophobicContact CE1-CG2 3.8Å; F198-V202 HydrophobicContact CE2-CG2 4.23Å; F198-V202 HydrophobicContact CZ-CG2 3.78Å; F198-V202 WeakPolarHBondContact O-CG2 3.49Å; F198-V202 PolarHBondContact O-N 2.99Å; F198-V202 VanDerWaalsContact O-N 3.07Å; C199-V202 PolarHBondContact O-N 2.82Å; V202-G204 VanDerWaalsContact C-N 3.26Å; V202-G204 PolarHBondContact O-N 2.82Å; V202-I205 PolarHBondContact O-N 3.33Å; V202-I205 VanDerWaalsContact O-N 3.12Å; V202-F206 HydrophobicContact CG1-CD2 3.82Å; V202-F206 HydrophobicContact CG1-CE2 3.62Å; V202-F206 VanDerWaalsContact O-CD2 3.24Å; V202-F206 WeakPolarHBondContact O-CD2 3.44Å; V202-F206 PolarHBondContact O-N 3.37Å
203	I	85.2	Confident	82.4	Confident	27 Å²	27	90.9 Å²	90.9	14%	0.138	51%	0.505	C	S	.	.	H	α-helix	trans	-59	-40.5	175.5	-70.3	165.9	0	0	0	110.8	A183 L186 A187 C199 I205 F206 R207	A183-I203 HydrophobicContact CB-CB 4.3Å; A183-I203 HydrophobicContact CB-CG2 3.91Å; L186-I203 HydrophobicContact CB-CD1 4.19Å; L186-I203 HydrophobicContact CB-CG2 4.46Å; L186-I203 HydrophobicContact CD2-CD1 4.08Å; L186-I203 HydrophobicContact CD2-CG1 4.44Å; L186-I203 HydrophobicContact CD2-CG2 3.7Å; L186-I203 HydrophobicContact CG-CD1 4.24Å; A187-I203 HydrophobicContact CB-CD1 4.18Å; C199-I203 WeakPolarHBondContact O-CB 3.21Å; C199-I203 VanDerWaalsContact O-CG1 3.24Å; C199-I203 WeakPolarHBondContact O-CG1 3.03Å; C199-I203 PolarHBondContact O-N 3.49Å; C199-I203 WeakPolarHBondContact SG-CD1 3.35Å; I203-I205 VanDerWaalsContact C-N 3.33Å; I203-I205 PolarHBondContact O-N 3.36Å; I203-F206 PolarHBondContact O-N 2.84Å; I203-R207 WeakPolarHBondContact O-CB 3.33Å; I203-R207 WeakPolarHBondContact O-CG 3.42Å; I203-R207 PolarHBondContact O-N 2.83Å; I203-R207 VanDerWaalsContact O-N 3.16Å
204	G	83.6	Confident	82.3	Confident	34 Å²	34	86.2 Å²	86.2	35%	0.351	49%	0.489	S	S	.	.	H	α-helix	trans	-62.4	-36.7	176	0	0	0	0	0	113.3	S200 Y201 V202 R207 G208	S200-G204 PolarHBondContact O-N 3.11Å; Y201-G204 PolarHBondContact O-N 3.48Å; V202-G204 VanDerWaalsContact C-N 3.26Å; V202-G204 PolarHBondContact O-N 2.82Å; G204-R207 PolarHBondContact O-N 3.08Å; G204-G208 PolarHBondContact O-N 2.91Å
205	I	86.1	Confident	82	Confident	94 Å²	94	84.9 Å²	84.9	48%	0.482	47%	0.472	S	S	.	.	H	α-helix	trans	-68.1	-36.7	178.1	-69.7	166.1	0	0	0	112.2	Y201 V202 I203	Y201-I205 HydrophobicContact CD1-CD1 3.87Å; Y201-I205 HydrophobicContact CE1-CD1 3.41Å; Y201-I205 VanDerWaalsContact CE1-CD1 3.41Å; Y201-I205 HydrophobicContact CE2-CD1 4.38Å; Y201-I205 WeakPolarHBondContact O-CG1 3.19Å; Y201-I205 PolarHBondContact O-N 3.16Å; Y201-I205 VanDerWaalsContact O-N 3.14Å; V202-I205 PolarHBondContact O-N 3.33Å; V202-I205 VanDerWaalsContact O-N 3.12Å; I203-I205 VanDerWaalsContact C-N 3.33Å; I203-I205 PolarHBondContact O-N 3.36Å
206	F	78.8	Confident	81.8	Confident	170 Å²	170	83.9 Å²	83.9	75%	0.746	47%	0.469	S	S	*	.	H	α-helix	trans	-86.3	-10.3	-179.3	-71.8	-72.8	0	0	0	114	V202 I203	V202-F206 HydrophobicContact CG1-CD2 3.82Å; V202-F206 HydrophobicContact CG1-CE2 3.62Å; V202-F206 VanDerWaalsContact O-CD2 3.24Å; V202-F206 WeakPolarHBondContact O-CD2 3.44Å; V202-F206 PolarHBondContact O-N 3.37Å; I203-F206 PolarHBondContact O-N 2.84Å
207	R	68.4	Low	81.5	Confident	192 Å²	192	88.9 Å²	88.9	73%	0.725	50%	0.499	S	S	*	.	H	α-helix	trans	-110.6	-5.3	178.4	-70.1	-173.8	113.4	94.8	-3.5	114.1	I203 G204	I203-R207 WeakPolarHBondContact O-CB 3.33Å; I203-R207 WeakPolarHBondContact O-CG 3.42Å; I203-R207 PolarHBondContact O-N 2.83Å; I203-R207 VanDerWaalsContact O-N 3.16Å; G204-R207 PolarHBondContact O-N 3.08Å
208	G	55.1	Low	81.4	Confident	124 Å²	124	92.2 Å²	92.2	100%	1.278	49%	0.494	S	S	*	.			trans	-87.9	0	169.8	0	0	0	0	0	111.2	G204	G204-G208 PolarHBondContact O-N 2.91Å

Retrieved 208 of 208 residues in 38.3 ms (Link to these results)

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