A0A096NG94_PAPAN Loading...

General transcription factor 3C polypeptide 5

Involved in RNA polymerase III-mediated transcription. Integral, tightly associated component of the DNA-binding TFIIIC2 subcomplex that directly binds tRNA and virus-associated RNA promoters.

AlphaFold DB , UniProt , Accession A0A096NG94, Species PAPAN (Papio anubis, Olive baboon), Gene GTF3C5, Length 528 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.6	Very low	31.7	Very low	251 Å²	251	147.8 Å²	147.8	100%	1.236	89%	0.887	S	S	*	*				0	103.8	0	-81.4	-154.1	-93.5	0	0	108.6
2	A	29.3	Very low	31.7	Very low	104 Å²	104	143.8 Å²	143.8	86%	0.86	88%	0.882	S	S	*	*			trans	-145.7	116.2	167.8	0	0	0	0	0	105.8
3	G	28.9	Very low	31.8	Very low	71 Å²	71	148.2 Å²	148.2	73%	0.732	89%	0.886	S	S	*	*			trans	-72.5	164.5	-170.6	0	0	0	0	0	113.6	A5	G3-A5 PolarHBondContact O-N 2.95Å
4	P	35	Very low	32.1	Very low	130 Å²	130	145.2 Å²	145.2	84%	0.844	89%	0.886	S	S	*	*			trans	-77.4	124.4	-176.5	30.4	-30.4	0	0	0	110.7	R6	P4-R6 PolarHBondContact O-N 3.48Å
5	A	31.7	Very low	32.3	Very low	100 Å²	100	142 Å²	142	83%	0.826	88%	0.88	S	S	*	*			trans	-67.4	113.6	171.6	0	0	0	0	0	110.1	G3 R7	G3-A5 PolarHBondContact O-N 2.95Å; A5-R7 PolarHBondContact O-N 3.03Å
6	R	30.8	Very low	32.7	Very low	247 Å²	247	143.4 Å²	143.4	93%	0.932	88%	0.88	S	S	*	*			trans	-63	115.6	167.4	-87.5	178.1	162.9	179.8	-4.3	109	P4 A8	P4-R6 PolarHBondContact O-N 3.48Å; R6-A8 PolarHBondContact O-N 3.3Å
7	R	34	Very low	33.7	Very low	248 Å²	248	145.8 Å²	145.8	94%	0.936	89%	0.885	S	S	*	*	P	Polyproline II helix	trans	-67.6	117.1	165.7	-92.6	-177.6	171	-176.1	-3.3	109.1	A5 G9	A5-R7 PolarHBondContact O-N 3.03Å; R7-G9 PolarHBondContact O-N 2.85Å
8	A	30.6	Very low	33.9	Very low	101 Å²	101	140.8 Å²	140.8	84%	0.835	87%	0.869	S	S	*	*	P	Polyproline II helix	trans	-68	116.6	171.2	0	0	0	0	0	109.3	R6	R6-A8 PolarHBondContact O-N 3.3Å
9	G	30	Very low	34.7	Very low	71 Å²	71	143.7 Å²	143.7	73%	0.732	88%	0.877	S	S	*	*	P	Polyproline II helix	trans	-75	127.5	163.4	0	0	0	0	0	108.6	R7 A11	R7-G9 PolarHBondContact O-N 2.85Å; G9-A11 PolarHBondContact O-N 3.46Å; G9-A11 VanDerWaalsContact O-N 3.11Å
10	M	30.3	Very low	35.6	Very low	203 Å²	203	140.4 Å²	140.4	100%	1	87%	0.873	S	S	*	*			trans	-58.4	111.1	171.9	-117.6	173.7	148.1	0	0	108.8
11	A	30	Very low	36.9	Very low	100 Å²	100	138.1 Å²	138.1	83%	0.826	87%	0.867	S	S	*	*			trans	-84.9	111.3	167.5	0	0	0	0	0	107.3	G9	G9-A11 PolarHBondContact O-N 3.46Å; G9-A11 VanDerWaalsContact O-N 3.11Å
12	A	32.5	Very low	38.4	Very low	100 Å²	100	130.8 Å²	130.8	83%	0.826	85%	0.847	S	S	*	*			trans	-73.5	123.7	166.8	0	0	0	0	0	108.4	A14	A12-A14 PolarHBondContact O-N 2.79Å
13	E	32.4	Very low	40.5	Very low	200 Å²	200	129.8 Å²	129.8	94%	0.935	83%	0.83	S	S	*	*			trans	-65.4	119	173.1	-125	174.8	167.6	0	0	109	A15	E13-A15 PolarHBondContact O-N 2.97Å
14	A	35.9	Very low	42.8	Very low	107 Å²	107	132.5 Å²	132.5	88%	0.884	83%	0.834	S	S	*	*			trans	-86.3	105.3	-179.1	0	0	0	0	0	109.7	A12	A12-A14 PolarHBondContact O-N 2.79Å
15	A	35	Very low	45.1	Very low	97 Å²	97	128.7 Å²	128.7	80%	0.802	81%	0.809	S	S	*	*			trans	-97.6	127.4	163.8	0	0	0	0	0	109.9	E13	E13-A15 PolarHBondContact O-N 2.97Å
16	D	39.2	Very low	47.5	Very low	164 Å²	164	131.5 Å²	131.5	88%	0.877	81%	0.805	S	S	*	*			trans	61.5	115.8	158.1	-142.9	14.3	0	0	0	119.4	G18	D16-G18 PolarHBondContact O-N 3.49Å; D16-G18 VanDerWaalsContact O-N 3.12Å
17	L	49.8	Very low	49.9	Very low	184 Å²	184	122.9 Å²	122.9	96%	0.963	78%	0.777	S	S	*	*			trans	-81	86.7	-177.8	-85.2	157	0	0	0	110.7
18	G	36.9	Very low	52.1	Low	57 Å²	57	116.9 Å²	116.9	59%	0.588	75%	0.754	S	S	*	*			trans	-104.7	139.4	158.7	0	0	0	0	0	110.8	D16 G20	D16-G18 PolarHBondContact O-N 3.49Å; D16-G18 VanDerWaalsContact O-N 3.12Å; G18-G20 PolarHBondContact O-N 3.34Å; G18-G20 VanDerWaalsContact O-N 3.08Å
19	L	49.2	Very low	54.4	Low	196 Å²	196	121.3 Å²	121.3	100%	1.026	75%	0.749	S	S	*	*	S	Bend	trans	-46.9	114.5	172.7	-84.5	128.6	0	0	0	111.3
20	G	52.3	Low	56.9	Low	77 Å²	77	127.2 Å²	127.2	79%	0.794	76%	0.758	S	S	*	*			trans	114.7	32.3	168.2	0	0	0	0	0	117.5	G18 A22	G18-G20 PolarHBondContact O-N 3.34Å; G18-G20 VanDerWaalsContact O-N 3.08Å; G20-A22 PolarHBondContact O-N 3.13Å; G20-A22 VanDerWaalsContact O-N 3.12Å
21	A	63.2	Low	59.7	Low	92 Å²	92	123.4 Å²	123.4	76%	0.76	73%	0.732	S	S	*	*			trans	-64.1	111.7	171	0	0	0	0	0	111.3
22	A	69	Low	62.6	Low	97 Å²	97	127.9 Å²	127.9	80%	0.802	73%	0.728	S	S	*	*			trans	-73.3	125.4	172.6	0	0	0	0	0	110	G20 P24	G20-A22 PolarHBondContact O-N 3.13Å; G20-A22 VanDerWaalsContact O-N 3.12Å; A22-P24 WeakPolarHBondContact O-CD 3.29Å
23	V	74.7	Confident	65.5	Low	83 Å²	83	125.5 Å²	125.5	50%	0.503	70%	0.7	S	S	.	*			trans	-94.1	113.4	176.9	-177.9	0	0	0	0	108.6	V25	V23-V25 HydrophobicContact CG1-CG2 4.35Å; V23-V25 PolarHBondContact O-N 3.38Å
24	P	77.3	Confident	68.4	Low	128 Å²	128	118.8 Å²	118.8	83%	0.831	67%	0.673	S	S	*	*			trans	-69.9	127.3	175.6	28.4	-32.7	0	0	0	109.7	A22	A22-P24 WeakPolarHBondContact O-CD 3.29Å
25	V	82.8	Confident	71.2	Confident	50 Å²	50	115.4 Å²	115.4	30%	0.303	64%	0.642	S	S	.	*			trans	-123.8	127.5	176.8	-167.7	0	0	0	0	109.4	V23 M120 I122	V23-V25 HydrophobicContact CG1-CG2 4.35Å; V23-V25 PolarHBondContact O-N 3.38Å; V25-M120 HydrophobicContact CG2-CB 4.1Å; V25-I122 HydrophobicContact CB-CD1 4.08Å; V25-I122 HydrophobicContact CB-CG1 4.36Å; V25-I122 HydrophobicContact CG1-CB 4.19Å; V25-I122 HydrophobicContact CG1-CD1 3.84Å; V25-I122 HydrophobicContact CG1-CG1 3.67Å
26	E	82.1	Confident	74.1	Confident	160 Å²	160	112.8 Å²	112.8	75%	0.748	62%	0.616	S	S	*	*			trans	-75.8	129.9	-179.6	-169.1	180	-174.8	0	0	111.3
27	L	81.4	Confident	76.8	Confident	66 Å²	66	109 Å²	109	35%	0.346	59%	0.593	S	S	.	*			trans	-89.5	109.4	177.3	176.7	62.6	0	0	0	110.9	R29 L93 I122 I125	L27-R29 HydrophobicContact CD2-CG 4.02Å; L27-R29 HydrophobicContact CG-CG 4Å; L27-R29 PolarHBondContact O-N 2.91Å; L27-L93 HydrophobicContact CD1-CD1 4.41Å; L27-L93 HydrophobicContact CD1-CD2 3.51Å; L27-I122 HydrophobicContact CB-CD1 4.4Å; L27-I122 HydrophobicContact CD1-CD1 4.36Å; L27-I122 HydrophobicContact CD1-CG2 3.71Å; L27-I125 HydrophobicContact CD1-CD1 4.3Å; L27-I125 HydrophobicContact CD1-CG1 4.01Å
28	R	80	Confident	79	Confident	121 Å²	121	102.8 Å²	102.8	46%	0.457	56%	0.557	S	S	.	*			trans	-78.6	87.3	172.2	-61	-168.3	-172.1	155.9	18.2	111.5	E30 R31 E121	R28-E30 PolarHBondContact O-N 3.15Å; R28-R31 PolarHBondContact O-N 2.69Å; R28-E121 IonicContact CZ-OE1 3.49Å; R28-E121 IonicContact NH1-OE1 3.74Å; R28-E121 IonicContact NH2-OE1 2.82Å; R28-E121 PolarHBondContact NH2-OE1 2.72Å
29	R	78.2	Confident	81.7	Confident	195 Å²	195	102.7 Å²	102.7	74%	0.736	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.7	-176.2	-66.3	-175.2	177.6	-168.3	-0.9	114.8	L27 R31	L27-R29 HydrophobicContact CD2-CG 4.02Å; L27-R29 HydrophobicContact CG-CG 4Å; L27-R29 PolarHBondContact O-N 2.91Å; R29-R31 VanDerWaalsContact C-N 3.32Å; R29-R31 PolarHBondContact O-N 3.21Å
30	E	82.9	Confident	83.7	Confident	194 Å²	194	95.4 Å²	95.4	91%	0.907	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-23.1	-177.3	-64.4	173.1	-173.4	0	0	113.1	R28 R32	R28-E30 PolarHBondContact O-N 3.15Å; E30-R32 PolarHBondContact O-N 2.75Å
31	R	89.8	Confident	85.7	Confident	124 Å²	124	97.9 Å²	97.9	47%	0.468	52%	0.518	S	S	.	.			trans	-91.1	89.7	-174.7	-167.1	154.7	178.6	-138	10.9	111	R28 R29 M33 L123 G124 I125	R28-R31 PolarHBondContact O-N 2.69Å; R29-R31 VanDerWaalsContact C-N 3.32Å; R29-R31 PolarHBondContact O-N 3.21Å; R31-M33 HydrophobicContact CG-CG 4.45Å; R31-L123 VanDerWaalsContact CD-O 3.25Å; R31-L123 WeakPolarHBondContact CD-O 3.33Å; R31-L123 PolarHBondContact NH1-O 3.26Å; R31-L123 VanDerWaalsContact NH1-O 3.09Å; R31-G124 CarbonylContact O-C 3.29Å; R31-G124 VanDerWaalsContact O-CA 3.26Å; R31-G124 WeakPolarHBondContact O-CA 3.45Å; R31-I125 PolarHBondContact O-N 2.66Å
32	R	90.3	Very high	87.2	Confident	193 Å²	193	96.5 Å²	96.5	73%	0.728	50%	0.5	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.5	138.6	172.5	-64.6	-171.8	-179.7	-169	0.7	111.2	E30 I125	E30-R32 PolarHBondContact O-N 2.75Å; R32-I125 CarbonylContact C-O 3.58Å; R32-I125 WeakPolarHBondContact CA-O 3.32Å
33	M	92.5	Very high	88.5	Confident	51 Å²	51	103.1 Å²	103.1	25%	0.251	50%	0.504	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132	156.3	-175.4	-58.1	-174.8	71.3	0	0	110.4	R31 L94 I125 I126 S127	R31-M33 HydrophobicContact CG-CG 4.45Å; M33-L94 HydrophobicContact CE-CD2 3.68Å; M33-L94 HydrophobicContact SD-CB 4.46Å; M33-L94 HydrophobicContact SD-CD2 3.86Å; M33-I125 PolarHBondContact N-O 2.94Å; M33-I126 HydrophobicContact CB-CG1 4.44Å; M33-I126 WeakPolarHBondContact O-CA 3.29Å; M33-S127 PolarHBondContact O-N 3.41Å
34	V	93.3	Very high	89.5	Confident	58 Å²	58	102.3 Å²	102.3	35%	0.352	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	135.3	174	-176.9	0	0	0	0	108	Y62 T128 Y130	V34-Y62 HydrophobicContact CG1-CD2 4.3Å; V34-Y62 HydrophobicContact CG2-CD2 3.63Å; V34-Y62 HydrophobicContact CG2-CE1 4.43Å; V34-Y62 HydrophobicContact CG2-CE2 3.37Å; V34-Y62 HydrophobicContact CG2-CG 4.27Å; V34-T128 WeakPolarHBondContact CA-O 3.35Å; V34-T128 HydrophobicContact CG1-CG2 4.46Å; V34-Y130 HydrophobicContact CG1-CD2 3.92Å; V34-Y130 HydrophobicContact CG1-CE2 3.78Å
35	C	95.3	Very high	90.3	Very high	37 Å²	37	100.4 Å²	100.4	25%	0.25	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	140.8	176.4	-177.1	0	0	0	0	110	I126 T128 I129 Y130	C35-I126 HydrophobicContact CB-CD1 4.13Å; C35-I126 HydrophobicContact CB-CG1 4.46Å; C35-I126 HydrophobicContact CB-CG2 3.46Å; C35-I126 VanDerWaalsContact CB-CG2 3.46Å; C35-T128 PolarHBondContact N-O 3.43Å; C35-I129 HydrophobicContact CB-CB 4.36Å; C35-I129 HydrophobicContact CB-CD1 4.11Å; C35-I129 HydrophobicContact CB-CG1 3.91Å; C35-I129 CarbonylContact O-C 3.36Å; C35-I129 VanDerWaalsContact O-CA 3.27Å; C35-I129 WeakPolarHBondContact O-CA 3.36Å; C35-Y130 PolarHBondContact O-N 2.7Å
36	V	95.9	Very high	90.8	Very high	41 Å²	41	101.6 Å²	101.6	25%	0.248	50%	0.498	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	114.6	169.8	-178.9	0	0	0	0	107.1	Y38 L52 L69 Y130 F132	V36-Y38 PolarHBondContact O-N 2.89Å; V36-L52 HydrophobicContact CG1-CD1 4.11Å; V36-L69 HydrophobicContact CB-CD2 4.41Å; V36-L69 HydrophobicContact CG1-CD2 3.72Å; V36-L69 HydrophobicContact CG2-CD2 3.74Å; V36-Y130 HydrophobicContact CG2-CD2 4.28Å; V36-F132 HydrophobicContact CG1-CE2 3.84Å; V36-F132 HydrophobicContact CG1-CZ 4.44Å
37	E	95.5	Very high	91.3	Very high	85 Å²	85	101.3 Å²	101.3	40%	0.397	49%	0.494	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	78.8	173.2	-69.8	-175.6	178	0	0	108.9	I129 Y130 K131 F132	E37-I129 HydrophobicContact CG-CD1 3.71Å; E37-I129 HydrophobicContact CG-CG1 3.94Å; E37-I129 WeakPolarHBondContact OE1-CD1 3.35Å; E37-Y130 PolarHBondContact N-O 3.15Å; E37-K131 VanDerWaalsContact CD-NZ 3.28Å; E37-K131 HydrophobicContact CG-CG 4.38Å; E37-K131 WeakPolarHBondContact OE1-CE 3.29Å; E37-K131 IonicContact OE1-NZ 3.47Å; E37-K131 PolarHBondContact OE1-NZ 3.4Å; E37-K131 VanDerWaalsContact OE2-CD 3.26Å; E37-K131 WeakPolarHBondContact OE2-CD 3.39Å; E37-K131 WeakPolarHBondContact OE2-CE 3.5Å; E37-K131 VanDerWaalsContact OE2-CG 3.28Å; E37-K131 WeakPolarHBondContact OE2-CG 2.93Å; E37-K131 IonicContact OE2-NZ 2.81Å; E37-K131 PolarHBondContact OE2-NZ 3.16Å; E37-K131 VanDerWaalsContact OE2-NZ 3.12Å; E37-F132 VanDerWaalsContact O-CD2 3.25Å; E37-F132 WeakPolarHBondContact O-CD2 3.43Å
38	Y	95.6	Very high	91.9	Very high	53 Å²	53	99.8 Å²	99.8	21%	0.208	49%	0.486	C	S	.	.			trans	-60.7	131.1	-176.4	-170.4	-89.2	0	0	0	111.5	V36 G40 V42 M48 T51 L52 L71	V36-Y38 PolarHBondContact O-N 2.89Å; Y38-G40 PolarHBondContact O-N 3.3Å; Y38-V42 HydrophobicContact CD1-CG2 3.82Å; Y38-V42 HydrophobicContact CE1-CG2 4.44Å; Y38-V42 HydrophobicContact CG-CG2 4.09Å; Y38-M48 HydrophobicContact CD2-CG 3.7Å; Y38-M48 HydrophobicContact CD2-SD 3.81Å; Y38-M48 HydrophobicContact CE1-CG 4.38Å; Y38-M48 HydrophobicContact CE2-CG 3.51Å; Y38-M48 HydrophobicContact CE2-SD 3.99Å; Y38-M48 HydrophobicContact CG-CG 4.21Å; Y38-T51 PolarHBondContact OH-OG1 3.45Å; Y38-L52 HydrophobicContact CD2-CD1 4.28Å; Y38-L52 HydrophobicContact CD2-CD2 4.47Å; Y38-L52 HydrophobicContact CD2-CG 4.49Å; Y38-L52 HydrophobicContact CE2-CD2 4.49Å; Y38-L52 HydrophobicContact CE2-CG 4.42Å; Y38-L71 HydrophobicContact CD2-CD1 4.39Å; Y38-L71 HydrophobicContact CE2-CD1 3.47Å; Y38-L71 VanDerWaalsContact CE2-CD1 3.47Å; Y38-L71 HydrophobicContact CE2-CD2 4.24Å
39	P	94.1	Very high	92.6	Very high	56 Å²	56	97 Å²	97	36%	0.364	48%	0.479	S	S	.	.	S	Bend	trans	-84.5	56.4	-173.5	36	-33.5	0	0	0	110.7	L71 F73 F132	P39-L71 HydrophobicContact CG-CD2 3.26Å; P39-F73 HydrophobicContact CG-CZ 4.36Å; P39-F132 HydrophobicContact CB-CB 4.09Å; P39-F132 HydrophobicContact CB-CD2 4.45Å; P39-F132 HydrophobicContact CB-CG 4.33Å; P39-F132 VanDerWaalsContact CD-CD2 3.46Å; P39-F132 HydrophobicContact CG-CB 4.05Å; P39-F132 HydrophobicContact CG-CD1 4.25Å; P39-F132 HydrophobicContact CG-CD2 3.89Å; P39-F132 HydrophobicContact CG-CE2 4.39Å; P39-F132 HydrophobicContact CG-CG 3.78Å
40	G	91.4	Very high	93.4	Very high	42 Å²	42	90.8 Å²	90.8	43%	0.433	47%	0.465	S	S	.	.	S	Bend	trans	176.9	167.6	-178	0	0	0	0	0	113.1	Y38 V42	Y38-G40 PolarHBondContact O-N 3.3Å; G40-V42 PolarHBondContact O-N 3.1Å
41	V	94.6	Very high	94.1	Very high	129 Å²	129	82.2 Å²	82.2	78%	0.782	43%	0.425	S	S	*	.			trans	-83.3	112.8	179	-177.9	0	0	0	0	109.9	R43	V41-R43 HydrophobicContact CG1-CG 4.45Å; V41-R43 PolarHBondContact O-N 3.34Å
42	V	94.9	Very high	94.4	Very high	64 Å²	64	76.7 Å²	76.7	39%	0.388	41%	0.405	S	S	.	.			trans	-81.7	107.2	178.5	-174.5	0	0	0	0	110.1	Y38 G40 V45 M48	Y38-V42 HydrophobicContact CD1-CG2 3.82Å; Y38-V42 HydrophobicContact CE1-CG2 4.44Å; Y38-V42 HydrophobicContact CG-CG2 4.09Å; G40-V42 PolarHBondContact O-N 3.1Å; V42-V45 HydrophobicContact CG1-CG2 4.23Å; V42-M48 HydrophobicContact CG1-CB 3.98Å; V42-M48 HydrophobicContact CG1-CE 4.47Å; V42-M48 HydrophobicContact CG1-CG 4.14Å; V42-M48 HydrophobicContact CG2-CG 3.94Å
43	R	95.3	Very high	94.5	Very high	235 Å²	235	69.8 Å²	69.8	89%	0.887	39%	0.394	S	S	*	.	S	Bend	trans	-96.2	-30.3	171.4	-63.2	-175.7	-179.2	-178.6	0.6	113	V41	V41-R43 HydrophobicContact CG1-CG 4.45Å; V41-R43 PolarHBondContact O-N 3.34Å
44	D	95.7	Very high	94.5	Very high	66 Å²	66	68.2 Å²	68.2	35%	0.353	39%	0.391	S	S	.	.			trans	-137.1	111.2	-175.5	-177.2	-15.1	0	0	0	109.2	A46 K47 M48	D44-A46 VanDerWaalsContact C-N 3.31Å; D44-A46 PolarHBondContact O-N 3.34Å; D44-A46 WeakPolarHBondContact OD1-CB 3.44Å; D44-A46 PolarHBondContact OD1-N 3.08Å; D44-K47 HydrophobicContact CB-CB 4.3Å; D44-K47 HydrophobicContact CB-CD 4.3Å; D44-K47 HydrophobicContact CB-CG 4.41Å; D44-K47 PolarHBondContact O-N 3.45Å; D44-K47 PolarHBondContact OD1-N 2.9Å; D44-K47 WeakPolarHBondContact OD2-CD 3.31Å; D44-K47 VanDerWaalsContact OD2-CE 3.31Å; D44-K47 WeakPolarHBondContact OD2-CE 3.32Å; D44-K47 WeakPolarHBondContact OD2-CG 3.28Å; D44-K47 IonicContact OD2-NZ 3.5Å; D44-M48 WeakPolarHBondContact O-CB 3.42Å; D44-M48 PolarHBondContact O-N 3.07Å; D44-M48 VanDerWaalsContact O-N 3.11Å
45	V	94.1	Very high	94.5	Very high	88 Å²	88	72.5 Å²	72.5	53%	0.533	41%	0.407	S	S	.	.	H	α-helix	trans	-68.5	-32.8	-177.9	-178.9	0	0	0	0	111.3	V42 K47 M48 L49	V42-V45 HydrophobicContact CG1-CG2 4.23Å; V45-K47 VanDerWaalsContact C-N 3.26Å; V45-K47 PolarHBondContact O-N 3Å; V45-M48 HydrophobicContact CG1-CE 4.24Å; V45-M48 PolarHBondContact O-N 2.91Å; V45-L49 HydrophobicContact CG1-CD1 4.01Å; V45-L49 HydrophobicContact CG1-CG 4.17Å; V45-L49 PolarHBondContact O-N 3.34Å
46	A	93.8	Very high	94.4	Very high	76 Å²	76	78.2 Å²	78.2	63%	0.628	43%	0.43	S	S	*	.	H	α-helix	trans	-69.8	-25.2	-179.3	0	0	0	0	0	112.3	D44 P50	D44-A46 VanDerWaalsContact C-N 3.31Å; D44-A46 PolarHBondContact O-N 3.34Å; D44-A46 WeakPolarHBondContact OD1-CB 3.44Å; D44-A46 PolarHBondContact OD1-N 3.08Å; A46-P50 WeakPolarHBondContact O-CD 3.38Å; A46-P50 VanDerWaalsContact O-CG 3.26Å; A46-P50 WeakPolarHBondContact O-CG 3.3Å
47	K	92.4	Very high	94.2	Very high	154 Å²	154	76.4 Å²	76.4	67%	0.67	42%	0.42	S	S	*	.	H	α-helix	trans	-88	-30.4	172.3	-69.1	179.1	-173.4	171.2	0	113.3	D44 V45 P50	D44-K47 HydrophobicContact CB-CB 4.3Å; D44-K47 HydrophobicContact CB-CD 4.3Å; D44-K47 HydrophobicContact CB-CG 4.41Å; D44-K47 PolarHBondContact O-N 3.45Å; D44-K47 PolarHBondContact OD1-N 2.9Å; D44-K47 WeakPolarHBondContact OD2-CD 3.31Å; D44-K47 VanDerWaalsContact OD2-CE 3.31Å; D44-K47 WeakPolarHBondContact OD2-CE 3.32Å; D44-K47 WeakPolarHBondContact OD2-CG 3.28Å; D44-K47 IonicContact OD2-NZ 3.5Å; V45-K47 VanDerWaalsContact C-N 3.26Å; V45-K47 PolarHBondContact O-N 3Å; K47-P50 WeakPolarHBondContact O-CD 3.36Å
48	M	95.1	Very high	94.1	Very high	33 Å²	33	73.6 Å²	73.6	16%	0.163	41%	0.408	C	S	.	.	H	α-helix	trans	-71.4	-43.8	178.1	-179.1	-80	-65.6	0	0	112	Y38 V42 D44 V45 T51 L52	Y38-M48 HydrophobicContact CD2-CG 3.7Å; Y38-M48 HydrophobicContact CD2-SD 3.81Å; Y38-M48 HydrophobicContact CE1-CG 4.38Å; Y38-M48 HydrophobicContact CE2-CG 3.51Å; Y38-M48 HydrophobicContact CE2-SD 3.99Å; Y38-M48 HydrophobicContact CG-CG 4.21Å; V42-M48 HydrophobicContact CG1-CB 3.98Å; V42-M48 HydrophobicContact CG1-CE 4.47Å; V42-M48 HydrophobicContact CG1-CG 4.14Å; V42-M48 HydrophobicContact CG2-CG 3.94Å; D44-M48 WeakPolarHBondContact O-CB 3.42Å; D44-M48 PolarHBondContact O-N 3.07Å; D44-M48 VanDerWaalsContact O-N 3.11Å; V45-M48 HydrophobicContact CG1-CE 4.24Å; V45-M48 PolarHBondContact O-N 2.91Å; M48-T51 PolarHBondContact O-N 3.49Å; M48-T51 PolarHBondContact O-OG1 3.38Å; M48-L52 HydrophobicContact SD-CD1 3.69Å; M48-L52 HydrophobicContact SD-CG 4.4Å
49	L	94.4	Very high	94	Very high	62 Å²	62	74.2 Å²	74.2	33%	0.325	42%	0.421	S	S	.	.	H	α-helix	trans	-57.8	-44.2	-177.7	-76.8	171.9	0	0	0	113.7	V45 T51 L52 G54	V45-L49 HydrophobicContact CG1-CD1 4.01Å; V45-L49 HydrophobicContact CG1-CG 4.17Å; V45-L49 PolarHBondContact O-N 3.34Å; L49-T51 PolarHBondContact O-N 2.83Å; L49-L52 PolarHBondContact O-N 2.9Å; L49-G54 VanDerWaalsContact O-CA 3.3Å; L49-G54 WeakPolarHBondContact O-CA 3.06Å; L49-G54 PolarHBondContact O-N 3.49Å
50	P	95.7	Very high	93.9	Very high	66 Å²	66	79.1 Å²	79.1	43%	0.429	43%	0.432	S	S	.	.	H	α-helix	trans	-57.4	-29.4	174.8	-28.5	35.4	0	0	0	115.1	A46 K47 L52 G53	A46-P50 WeakPolarHBondContact O-CD 3.38Å; A46-P50 VanDerWaalsContact O-CG 3.26Å; A46-P50 WeakPolarHBondContact O-CG 3.3Å; K47-P50 WeakPolarHBondContact O-CD 3.36Å; P50-L52 PolarHBondContact O-N 3.42Å; P50-G53 PolarHBondContact O-N 3.43Å; P50-G53 VanDerWaalsContact O-N 3.16Å
51	T	96.1	Very high	94	Very high	13 Å²	13	78.3 Å²	78.3	8%	0.08	42%	0.417	C	S	.	.	H	α-helix	trans	-69.6	-21.8	178	67.9	0	0	0	0	112.1	Y38 M48 L49 L71 Y72 P75	Y38-T51 PolarHBondContact OH-OG1 3.45Å; M48-T51 PolarHBondContact O-N 3.49Å; M48-T51 PolarHBondContact O-OG1 3.38Å; L49-T51 PolarHBondContact O-N 2.83Å; T51-L71 WeakPolarHBondContact O-CA 3.15Å; T51-L71 WeakPolarHBondContact OG1-CD1 3.44Å; T51-Y72 WeakPolarHBondContact CB-O 3.46Å; T51-Y72 WeakPolarHBondContact CG2-O 3.25Å; T51-Y72 PolarHBondContact O-N 3.14Å; T51-P75 HydrophobicContact CG2-CG 4.17Å
52	L	95.8	Very high	93.9	Very high	9 Å²	9	76.4 Å²	76.4	5%	0.047	40%	0.396	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	13.1	174.9	-62.1	174.8	0	0	0	113	V36 Y38 M48 L49 P50 V58 L69 L71 F132	V36-L52 HydrophobicContact CG1-CD1 4.11Å; Y38-L52 HydrophobicContact CD2-CD1 4.28Å; Y38-L52 HydrophobicContact CD2-CD2 4.47Å; Y38-L52 HydrophobicContact CD2-CG 4.49Å; Y38-L52 HydrophobicContact CE2-CD2 4.49Å; Y38-L52 HydrophobicContact CE2-CG 4.42Å; M48-L52 HydrophobicContact SD-CD1 3.69Å; M48-L52 HydrophobicContact SD-CG 4.4Å; L49-L52 PolarHBondContact O-N 2.9Å; P50-L52 PolarHBondContact O-N 3.42Å; L52-V58 HydrophobicContact CB-CG2 3.86Å; L52-V58 HydrophobicContact CD1-CG2 4.43Å; L52-L69 HydrophobicContact CD2-CD2 4.16Å; L52-L69 HydrophobicContact CD2-CG 4.25Å; L52-L71 HydrophobicContact CD2-CB 4Å; L52-L71 HydrophobicContact CD2-CD1 3.73Å; L52-L71 HydrophobicContact CD2-CG 4.43Å; L52-L71 HydrophobicContact CG-CD1 4.32Å; L52-F132 HydrophobicContact CD2-CZ 3.88Å
53	G	92.6	Very high	93.8	Very high	47 Å²	47	77.3 Å²	77.3	49%	0.485	41%	0.411	S	S	.	.	T	Hydrogen-bonded Turn	trans	79.9	16	-174.6	0	0	0	0	0	114.2	P50 G57	P50-G53 PolarHBondContact O-N 3.43Å; P50-G53 VanDerWaalsContact O-N 3.16Å; G53-G57 WeakPolarHBondContact O-CA 3.22Å; G53-G57 PolarHBondContact O-N 3.38Å
54	G	94.2	Very high	93.5	Very high	18 Å²	18	68.8 Å²	68.8	19%	0.186	38%	0.383	C	S	.	.	H	α-helix	trans	75	-177.5	-178.6	0	0	0	0	0	113.6	L49 E56 G57 V58	L49-G54 VanDerWaalsContact O-CA 3.3Å; L49-G54 WeakPolarHBondContact O-CA 3.06Å; L49-G54 PolarHBondContact O-N 3.49Å; G54-E56 VanDerWaalsContact C-N 3.32Å; G54-E56 PolarHBondContact O-N 2.95Å; G54-G57 PolarHBondContact O-N 2.95Å; G54-V58 WeakPolarHBondContact O-CG2 3.46Å; G54-V58 PolarHBondContact O-N 3.01Å; G54-V58 VanDerWaalsContact O-N 3.08Å
55	E	92.3	Very high	93.1	Very high	148 Å²	148	69 Å²	69	69%	0.692	39%	0.388	S	S	*	.	H	α-helix	trans	-64	-37.1	-179.5	-172.6	173.2	-179.2	0	0	112.4	S59	E55-S59 VanDerWaalsContact O-CB 3.27Å; E55-S59 WeakPolarHBondContact O-CB 3.36Å; E55-S59 PolarHBondContact O-N 3.09Å; E55-S59 PolarHBondContact O-OG 3.4Å
56	E	93.1	Very high	92.6	Very high	157 Å²	157	67.7 Å²	67.7	73%	0.734	38%	0.38	S	S	*	.	H	α-helix	trans	-65.8	-41.1	175.3	-65.6	-176.3	176.1	0	0	111.9	G54 S59 R60	G54-E56 VanDerWaalsContact C-N 3.32Å; G54-E56 PolarHBondContact O-N 2.95Å; E56-S59 PolarHBondContact O-N 3.22Å; E56-R60 VanDerWaalsContact O-CB 3.25Å; E56-R60 WeakPolarHBondContact O-CB 3.35Å; E56-R60 PolarHBondContact O-N 3.24Å
57	G	91.4	Very high	92.3	Very high	3 Å²	3	68 Å²	68	3%	0.031	37%	0.367	C	S	.	.	H	α-helix	trans	-60.4	-50.3	176.2	0	0	0	0	0	111.8	G53 G54 S59 R60 I61	G53-G57 WeakPolarHBondContact O-CA 3.22Å; G53-G57 PolarHBondContact O-N 3.38Å; G54-G57 PolarHBondContact O-N 2.95Å; G57-S59 PolarHBondContact O-N 3.01Å; G57-R60 PolarHBondContact O-N 2.92Å; G57-I61 WeakPolarHBondContact O-CG1 3.2Å; G57-I61 PolarHBondContact O-N 3.13Å
58	V	93.4	Very high	92.2	Very high	27 Å²	27	61.3 Å²	61.3	16%	0.164	34%	0.338	C	S	.	.	H	α-helix	trans	-61.6	-45.9	178.4	176.6	0	0	0	0	111.1	L52 G54 R60 I61 Y62 L69	L52-V58 HydrophobicContact CB-CG2 3.86Å; L52-V58 HydrophobicContact CD1-CG2 4.43Å; G54-V58 WeakPolarHBondContact O-CG2 3.46Å; G54-V58 PolarHBondContact O-N 3.01Å; G54-V58 VanDerWaalsContact O-N 3.08Å; V58-R60 PolarHBondContact O-N 3.15Å; V58-I61 PolarHBondContact O-N 3Å; V58-Y62 WeakPolarHBondContact O-CB 3.45Å; V58-Y62 PolarHBondContact O-N 3.41Å; V58-L69 HydrophobicContact CG2-CD1 4.07Å
59	S	93.6	Very high	92.2	Very high	66 Å²	66	59.8 Å²	59.8	46%	0.462	33%	0.33	S	S	.	.	H	α-helix	trans	-60.7	-42.4	178.2	-66.3	0	0	0	0	112.6	E55 E56 G57 Y62 A63	E55-S59 VanDerWaalsContact O-CB 3.27Å; E55-S59 WeakPolarHBondContact O-CB 3.36Å; E55-S59 PolarHBondContact O-N 3.09Å; E55-S59 PolarHBondContact O-OG 3.4Å; E56-S59 PolarHBondContact O-N 3.22Å; G57-S59 PolarHBondContact O-N 3.01Å; S59-Y62 PolarHBondContact O-N 3.38Å; S59-A63 PolarHBondContact O-N 2.99Å
60	R	93.1	Very high	92.2	Very high	159 Å²	159	59.2 Å²	59.2	60%	0.6	33%	0.326	S	S	*	.	H	α-helix	trans	-63.5	-44.1	177.2	178.3	174.4	55.3	-117.7	-1.5	112.1	E56 G57 V58 Y62 A63 D64	E56-R60 VanDerWaalsContact O-CB 3.25Å; E56-R60 WeakPolarHBondContact O-CB 3.35Å; E56-R60 PolarHBondContact O-N 3.24Å; G57-R60 PolarHBondContact O-N 2.92Å; V58-R60 PolarHBondContact O-N 3.15Å; R60-Y62 VanDerWaalsContact C-N 3.31Å; R60-A63 PolarHBondContact O-N 3.1Å; R60-D64 PolarHBondContact O-N 3.36Å
61	I	92.1	Very high	92.1	Very high	24 Å²	24	56 Å²	56	12%	0.123	31%	0.306	C	S	.	.	H	α-helix	trans	-69	-32.5	176.8	-61.6	-64.7	0	0	0	111.3	G57 V58 A63 D64 K67 L69 Y130	G57-I61 WeakPolarHBondContact O-CG1 3.2Å; G57-I61 PolarHBondContact O-N 3.13Å; V58-I61 PolarHBondContact O-N 3Å; I61-A63 VanDerWaalsContact C-N 3.33Å; I61-D64 CarbonylContact O-C 3.59Å; I61-D64 PolarHBondContact O-N 2.96Å; I61-K67 HydrophobicContact CD1-CB 3.72Å; I61-K67 HydrophobicContact CD1-CG 4.3Å; I61-K67 HydrophobicContact CG2-CB 4.17Å; I61-L69 HydrophobicContact CB-CD1 4.48Å; I61-L69 HydrophobicContact CG2-CB 4.17Å; I61-Y130 HydrophobicContact CG2-CE1 4.19Å; I61-Y130 PolarHBondContact O-OH 3.49Å
62	Y	92.1	Very high	92.1	Very high	89 Å²	89	58.9 Å²	58.9	35%	0.349	32%	0.315	S	S	.	.	H	α-helix	trans	-65.7	-36.3	174.5	177	-106.3	0	0	0	112.9	V34 V58 S59 R60 D64 R87 T128 Y130	V34-Y62 HydrophobicContact CG1-CD2 4.3Å; V34-Y62 HydrophobicContact CG2-CD2 3.63Å; V34-Y62 HydrophobicContact CG2-CE1 4.43Å; V34-Y62 HydrophobicContact CG2-CE2 3.37Å; V34-Y62 HydrophobicContact CG2-CG 4.27Å; V58-Y62 WeakPolarHBondContact O-CB 3.45Å; V58-Y62 PolarHBondContact O-N 3.41Å; S59-Y62 PolarHBondContact O-N 3.38Å; R60-Y62 VanDerWaalsContact C-N 3.31Å; Y62-D64 VanDerWaalsContact C-N 3.33Å; Y62-D64 PolarHBondContact O-N 3.2Å; Y62-R87 PolarHBondContact O-NH1 2.95Å; Y62-T128 HydrophobicContact CD2-CG2 4.48Å; Y62-T128 HydrophobicContact CE2-CG2 4.3Å; Y62-Y130 WeakPolarHBondContact CA-OH 3.26Å
63	A	92.8	Very high	91.9	Very high	83 Å²	83	63.3 Å²	63.3	69%	0.686	33%	0.334	S	S	*	.	H	α-helix	trans	-66.7	-32	177.3	0	0	0	0	0	113.1	S59 R60 I61 P65	S59-A63 PolarHBondContact O-N 2.99Å; R60-A63 PolarHBondContact O-N 3.1Å; I61-A63 VanDerWaalsContact C-N 3.33Å; A63-P65 WeakPolarHBondContact O-CD 3.48Å
64	D	89.9	Confident	91.9	Very high	56 Å²	56	65.1 Å²	65.1	30%	0.299	33%	0.326	S	S	.	.			trans	-106.8	101.2	178.7	-175.1	-9.4	0	0	0	111.5	R60 I61 Y62 T66 K67	R60-D64 PolarHBondContact O-N 3.36Å; I61-D64 CarbonylContact O-C 3.59Å; I61-D64 PolarHBondContact O-N 2.96Å; Y62-D64 VanDerWaalsContact C-N 3.33Å; Y62-D64 PolarHBondContact O-N 3.2Å; D64-T66 VanDerWaalsContact CG-OG1 3.29Å; D64-T66 PolarHBondContact O-N 3.02Å; D64-T66 VanDerWaalsContact O-N 3.09Å; D64-T66 WeakPolarHBondContact OD1-CB 3.36Å; D64-T66 PolarHBondContact OD1-N 3.41Å; D64-T66 PolarHBondContact OD1-OG1 2.98Å; D64-T66 PolarHBondContact OD2-OG1 3.18Å; D64-K67 HydrophobicContact CB-CG 3.98Å; D64-K67 PolarHBondContact O-N 3.14Å; D64-K67 VanDerWaalsContact OD2-CG 3.29Å; D64-K67 WeakPolarHBondContact OD2-CG 3.4Å
65	P	86.3	Confident	91.8	Very high	71 Å²	71	67.6 Å²	67.6	46%	0.461	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-10	-178.6	29.5	-35.5	0	0	0	114.3	A63 K67	A63-P65 WeakPolarHBondContact O-CD 3.48Å; P65-K67 VanDerWaalsContact C-N 3.34Å
66	T	84.5	Confident	91.6	Very high	61 Å²	61	70.2 Å²	70.2	37%	0.374	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.6	-15.2	178.4	72.4	0	0	0	0	113	D64 V362	D64-T66 VanDerWaalsContact CG-OG1 3.29Å; D64-T66 PolarHBondContact O-N 3.02Å; D64-T66 VanDerWaalsContact O-N 3.09Å; D64-T66 WeakPolarHBondContact OD1-CB 3.36Å; D64-T66 PolarHBondContact OD1-N 3.41Å; D64-T66 PolarHBondContact OD1-OG1 2.98Å; D64-T66 PolarHBondContact OD2-OG1 3.18Å; T66-V362 PolarHBondContact O-N 3.18Å
67	K	87.4	Confident	91.3	Very high	81 Å²	81	63.6 Å²	63.6	35%	0.352	32%	0.318	S	S	.	.	B	Isolated β-bridge	trans	-93.7	146.1	-177.7	-60.3	-68.1	-179.2	-179.9	0	111.8	I61 D64 P65	I61-K67 HydrophobicContact CD1-CB 3.72Å; I61-K67 HydrophobicContact CD1-CG 4.3Å; I61-K67 HydrophobicContact CG2-CB 4.17Å; D64-K67 HydrophobicContact CB-CG 3.98Å; D64-K67 PolarHBondContact O-N 3.14Å; D64-K67 VanDerWaalsContact OD2-CG 3.29Å; D64-K67 WeakPolarHBondContact OD2-CG 3.4Å; P65-K67 VanDerWaalsContact C-N 3.34Å
68	R	91.3	Very high	91	Very high	14 Å²	14	67.4 Å²	67.4	5%	0.053	34%	0.342	C	S	.	.	P	Polyproline II helix	trans	-91.8	149.7	170.1	-65.2	175.4	66.1	178.7	4.4	110	E70 C84 A85 N86 D186 P359 I360 V362	R68-E70 PolarHBondContact O-N 2.98Å; R68-C84 HydrophobicContact CB-CB 4.03Å; R68-C84 PolarHBondContact NH2-O 3.21Å; R68-A85 WeakPolarHBondContact CA-O 3.44Å; R68-A85 WeakPolarHBondContact CB-O 3.28Å; R68-N86 PolarHBondContact NE-OD1 3.15Å; R68-N86 PolarHBondContact NH2-OD1 3.05Å; R68-D186 IonicContact CZ-OD2 2.81Å; R68-D186 IonicContact NH1-OD2 3.73Å; R68-D186 PolarHBondContact NH1-OD2 3.44Å; R68-D186 IonicContact NH2-OD2 3.21Å; R68-D186 PolarHBondContact NH2-OD2 3.5Å; R68-P359 WeakPolarHBondContact CD-O 3.25Å; R68-P359 PolarHBondContact NH1-O 3.44Å; R68-I360 PolarHBondContact N-O 3.44Å; R68-V362 HydrophobicContact CG-CG2 3.62Å
69	L	94.5	Very high	90.7	Very high	2 Å²	2	68.3 Å²	68.3	1%	0.01	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	118.7	176.2	175.8	66.7	0	0	0	109.3	V36 L52 V58 I61 C84 A85 Y130 F132	V36-L69 HydrophobicContact CB-CD2 4.41Å; V36-L69 HydrophobicContact CG1-CD2 3.72Å; V36-L69 HydrophobicContact CG2-CD2 3.74Å; L52-L69 HydrophobicContact CD2-CD2 4.16Å; L52-L69 HydrophobicContact CD2-CG 4.25Å; V58-L69 HydrophobicContact CG2-CD1 4.07Å; I61-L69 HydrophobicContact CB-CD1 4.48Å; I61-L69 HydrophobicContact CG2-CB 4.17Å; L69-C84 CarbonylContact O-C 3.53Å; L69-C84 WeakPolarHBondContact O-CA 3.39Å; L69-A85 HydrophobicContact CB-CB 4.17Å; L69-A85 PolarHBondContact N-O 2.92Å; L69-A85 VanDerWaalsContact N-O 3.11Å; L69-A85 PolarHBondContact O-N 3.36Å; L69-Y130 HydrophobicContact CB-CD1 3.57Å; L69-Y130 HydrophobicContact CB-CE1 3.95Å; L69-Y130 HydrophobicContact CB-CG 4.1Å; L69-Y130 HydrophobicContact CD2-CD1 4.32Å; L69-Y130 HydrophobicContact CD2-CD2 4.4Å; L69-Y130 HydrophobicContact CD2-CG 3.98Å; L69-F132 HydrophobicContact CD2-CZ 4.48Å
70	E	94	Very high	90.5	Very high	49 Å²	49	65.4 Å²	65.4	23%	0.229	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	137.1	-178.5	-65	171.2	-167	0	0	111.1	R68 Y72 P82 I360	R68-E70 PolarHBondContact O-N 2.98Å; E70-Y72 HydrophobicContact CB-CD2 4.41Å; E70-Y72 HydrophobicContact CB-CE2 3.74Å; E70-Y72 WeakPolarHBondContact OE2-CE2 3.29Å; E70-Y72 PolarHBondContact OE2-OH 3.29Å; E70-P82 HydrophobicContact CB-CB 3.99Å; E70-P82 HydrophobicContact CG-CB 4.3Å; E70-P82 HydrophobicContact CG-CG 4.42Å; E70-I360 HydrophobicContact CG-CG2 4.15Å; E70-I360 VanDerWaalsContact OE1-CG2 3.27Å; E70-I360 WeakPolarHBondContact OE1-CG2 3.37Å
71	L	94.8	Very high	90.5	Very high	0 Å²	0	58.4 Å²	58.4	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117	172.9	172.6	65.2	0	0	0	110	Y38 P39 T51 L52 F73 P82 V83 F132	Y38-L71 HydrophobicContact CD2-CD1 4.39Å; Y38-L71 HydrophobicContact CE2-CD1 3.47Å; Y38-L71 VanDerWaalsContact CE2-CD1 3.47Å; Y38-L71 HydrophobicContact CE2-CD2 4.24Å; P39-L71 HydrophobicContact CG-CD2 3.26Å; T51-L71 WeakPolarHBondContact O-CA 3.15Å; T51-L71 WeakPolarHBondContact OG1-CD1 3.44Å; L52-L71 HydrophobicContact CD2-CB 4Å; L52-L71 HydrophobicContact CD2-CD1 3.73Å; L52-L71 HydrophobicContact CD2-CG 4.43Å; L52-L71 HydrophobicContact CG-CD1 4.32Å; L71-F73 HydrophobicContact CD2-CE1 3.92Å; L71-F73 HydrophobicContact CD2-CE2 4.33Å; L71-F73 HydrophobicContact CD2-CZ 3.8Å; L71-P82 CarbonylContact O-C 3.28Å; L71-P82 WeakPolarHBondContact O-CA 3.23Å; L71-V83 WeakPolarHBondContact CB-O 3.25Å; L71-V83 PolarHBondContact N-O 3.41Å; L71-V83 PolarHBondContact O-N 3.47Å; L71-F132 HydrophobicContact CB-CD1 4.26Å; L71-F132 HydrophobicContact CB-CE1 3.36Å; L71-F132 HydrophobicContact CB-CZ 3.77Å; L71-F132 HydrophobicContact CD2-CD1 4.37Å; L71-F132 HydrophobicContact CD2-CE1 4.02Å; L71-F132 HydrophobicContact CD2-CZ 4.2Å; L71-F132 HydrophobicContact CG-CE1 4.34Å
72	Y	94.9	Very high	90.5	Very high	73 Å²	73	58.8 Å²	58.8	29%	0.286	30%	0.301	S	S	.	.			trans	-102.2	107	173.1	-64.3	-92.2	0	0	0	109.6	T51 E70 R74 P75 C80 P82	T51-Y72 WeakPolarHBondContact CB-O 3.46Å; T51-Y72 WeakPolarHBondContact CG2-O 3.25Å; T51-Y72 PolarHBondContact O-N 3.14Å; E70-Y72 HydrophobicContact CB-CD2 4.41Å; E70-Y72 HydrophobicContact CB-CE2 3.74Å; E70-Y72 WeakPolarHBondContact OE2-CE2 3.29Å; E70-Y72 PolarHBondContact OE2-OH 3.29Å; Y72-R74 PolarHBondContact O-N 3.01Å; Y72-P75 WeakPolarHBondContact O-CD 3.44Å; Y72-C80 HydrophobicContact CD1-CB 4.3Å; Y72-C80 VanDerWaalsContact CD1-O 3.27Å; Y72-C80 WeakPolarHBondContact CD1-O 3.49Å; Y72-C80 VanDerWaalsContact CE1-O 3.26Å; Y72-C80 WeakPolarHBondContact CE1-O 3.47Å; Y72-P82 HydrophobicContact CD1-CB 4.06Å; Y72-P82 HydrophobicContact CD2-CB 4.3Å; Y72-P82 HydrophobicContact CE1-CB 3.69Å; Y72-P82 HydrophobicContact CE1-CG 3.92Å; Y72-P82 HydrophobicContact CE2-CB 3.94Å; Y72-P82 HydrophobicContact CG-CB 4.35Å
73	F	92.5	Very high	90.5	Very high	101 Å²	101	55 Å²	55	44%	0.443	29%	0.287	S	S	.	.	S	Bend	trans	-62.9	-27.3	175.7	-71.6	-70	0	0	0	112.7	P39 L71 P75 V83	P39-F73 HydrophobicContact CG-CZ 4.36Å; L71-F73 HydrophobicContact CD2-CE1 3.92Å; L71-F73 HydrophobicContact CD2-CE2 4.33Å; L71-F73 HydrophobicContact CD2-CZ 3.8Å; F73-P75 WeakPolarHBondContact O-CD 3.37Å; F73-V83 HydrophobicContact CD2-CG2 4.25Å; F73-V83 HydrophobicContact CE2-CG2 3.63Å
74	R	91.9	Very high	90.4	Very high	85 Å²	85	51.2 Å²	51.2	32%	0.321	26%	0.256	S	S	.	.	S	Bend	trans	-120.7	77.2	174.2	-60.2	-172.9	-57.3	-75.2	-5.9	109.3	Y72 K76 D77 C80	Y72-R74 PolarHBondContact O-N 3.01Å; R74-K76 PolarHBondContact O-N 3.13Å; R74-D77 HydrophobicContact CB-CB 3.7Å; R74-D77 IonicContact CZ-OD2 3.15Å; R74-D77 IonicContact NE-OD2 3.12Å; R74-D77 PolarHBondContact NE-OD2 3.38Å; R74-D77 IonicContact NH2-OD2 2.69Å; R74-D77 PolarHBondContact NH2-OD2 3.35Å; R74-D77 WeakPolarHBondContact O-CB 3.39Å; R74-D77 PolarHBondContact O-N 2.95Å; R74-C80 HydrophobicContact CB-CB 4.17Å
75	P	91.4	Very high	90.6	Very high	70 Å²	70	48.6 Å²	48.6	46%	0.455	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-11.4	-173.4	27.6	-35	0	0	0	114.1	T51 Y72 F73	T51-P75 HydrophobicContact CG2-CG 4.17Å; Y72-P75 WeakPolarHBondContact O-CD 3.44Å; F73-P75 WeakPolarHBondContact O-CD 3.37Å
76	K	88.6	Confident	90.8	Very high	203 Å²	203	47 Å²	47	88%	0.883	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91.7	-11.7	174.4	-61.9	-176.2	178.7	-176.8	0	113.4	R74 P78	R74-K76 PolarHBondContact O-N 3.13Å; K76-P78 WeakPolarHBondContact O-CD 3.35Å
77	D	87.4	Confident	91.2	Very high	19 Å²	19	47.7 Å²	47.7	10%	0.102	23%	0.225	C	C	.	.			trans	-95.4	110.7	-179	172.6	13.8	0	0	0	108.5	R74 Y79 C80 Y155	R74-D77 HydrophobicContact CB-CB 3.7Å; R74-D77 IonicContact CZ-OD2 3.15Å; R74-D77 IonicContact NE-OD2 3.12Å; R74-D77 PolarHBondContact NE-OD2 3.38Å; R74-D77 IonicContact NH2-OD2 2.69Å; R74-D77 PolarHBondContact NH2-OD2 3.35Å; R74-D77 WeakPolarHBondContact O-CB 3.39Å; R74-D77 PolarHBondContact O-N 2.95Å; D77-Y79 PolarHBondContact O-N 3.21Å; D77-Y79 PolarHBondContact OD1-N 3.16Å; D77-Y79 VanDerWaalsContact OD1-N 3.1Å; D77-C80 HydrophobicContact CB-CB 4.05Å; D77-C80 VanDerWaalsContact O-CB 3.22Å; D77-C80 WeakPolarHBondContact O-CB 3.22Å; D77-C80 PolarHBondContact O-N 3.44Å; D77-C80 VanDerWaalsContact O-N 3.09Å; D77-Y155 WeakPolarHBondContact OD1-CE1 3.3Å; D77-Y155 PolarHBondContact OD1-OH 3.26Å; D77-Y155 PolarHBondContact OD2-OH 2.79Å
78	P	85.5	Confident	91.5	Very high	83 Å²	83	47.3 Å²	47.3	54%	0.539	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-15	-176.6	28.4	-34.4	0	0	0	113.5	K76 Y155 L159	K76-P78 WeakPolarHBondContact O-CD 3.35Å; P78-Y155 HydrophobicContact CG-CE1 4.5Å; P78-L159 HydrophobicContact CG-CD1 3.34Å; P78-L159 HydrophobicContact CG-CD2 4.02Å; P78-L159 HydrophobicContact CG-CG 4.32Å
79	Y	86.6	Confident	91.6	Very high	45 Å²	45	52 Å²	52	18%	0.176	26%	0.259	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	9.1	173.9	-63.8	-56.9	0	0	0	112.7	D77 H81 A142 Y155 V158 L159 P178	D77-Y79 PolarHBondContact O-N 3.21Å; D77-Y79 PolarHBondContact OD1-N 3.16Å; D77-Y79 VanDerWaalsContact OD1-N 3.1Å; Y79-H81 PolarHBondContact O-N 3.44Å; Y79-H81 PolarHBondContact O-ND1 2.89Å; Y79-H81 VanDerWaalsContact O-ND1 3.17Å; Y79-A142 HydrophobicContact CD2-CB 4.28Å; Y79-A142 HydrophobicContact CE2-CB 4.43Å; Y79-Y155 HydrophobicContact CD2-CD1 4.22Å; Y79-Y155 AromaticContact CD2-CE1 3.71Å; Y79-Y155 HydrophobicContact CD2-CE1 3.71Å; Y79-Y155 HydrophobicContact CE2-CD1 4.48Å; Y79-Y155 HydrophobicContact CE2-CE1 4.4Å; Y79-V158 WeakPolarHBondContact OH-CG1 3.28Å; Y79-L159 HydrophobicContact CE2-CD1 4.19Å; Y79-L159 HydrophobicContact CE2-CD2 4.09Å; Y79-L159 HydrophobicContact CE2-CG 4.16Å; Y79-P178 HydrophobicContact CD1-CG 3.67Å; Y79-P178 HydrophobicContact CE1-CG 3.99Å; Y79-P178 HydrophobicContact CG-CG 4.16Å
80	C	90	Very high	91.5	Very high	6 Å²	6	53.8 Å²	53.8	4%	0.041	27%	0.27	C	S	.	.			trans	-70.7	113.4	173.8	-176	0	0	0	0	109.8	Y72 R74 D77	Y72-C80 HydrophobicContact CD1-CB 4.3Å; Y72-C80 VanDerWaalsContact CD1-O 3.27Å; Y72-C80 WeakPolarHBondContact CD1-O 3.49Å; Y72-C80 VanDerWaalsContact CE1-O 3.26Å; Y72-C80 WeakPolarHBondContact CE1-O 3.47Å; R74-C80 HydrophobicContact CB-CB 4.17Å; D77-C80 HydrophobicContact CB-CB 4.05Å; D77-C80 VanDerWaalsContact O-CB 3.22Å; D77-C80 WeakPolarHBondContact O-CB 3.22Å; D77-C80 PolarHBondContact O-N 3.44Å; D77-C80 VanDerWaalsContact O-N 3.09Å
81	H	91.1	Very high	91.4	Very high	11 Å²	11	56.3 Å²	56.3	5%	0.051	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-69.9	133.5	170.5	-61.6	66	0	0	0	109.9	Y79 D137 Q139 P179 P180 F182	Y79-H81 PolarHBondContact O-N 3.44Å; Y79-H81 PolarHBondContact O-ND1 2.89Å; Y79-H81 VanDerWaalsContact O-ND1 3.17Å; H81-D137 HydrophobicContact CB-CB 3.98Å; H81-D137 IonicContact CD2-OD2 3.74Å; H81-Q139 PolarHBondContact O-NE2 3.44Å; H81-P179 PolarHBondContact NE2-O 3.04Å; H81-P180 PolarHBondContact CD2-O 2.62Å; H81-P180 PolarHBondContact NE2-O 3.18Å; H81-F182 AromaticContact CE1-CD2 3.75Å; H81-F182 AromaticContact CE1-CE2 3.5Å; H81-F182 VanDerWaalsContact CE1-CE2 3.5Å; H81-F182 WeakPolarHBondContact CE1-CE2 3.4Å; H81-F182 AromaticContact NE2-CD2 3.63Å; H81-F182 AromaticContact NE2-CE2 3.76Å
82	P	92.4	Very high	91.3	Very high	32 Å²	32	59.1 Å²	59.1	21%	0.208	31%	0.312	C	S	.	.	P	Polyproline II helix	trans	-78.5	156.3	-178.8	30.5	-33.6	0	0	0	112.4	E70 L71 Y72	E70-P82 HydrophobicContact CB-CB 3.99Å; E70-P82 HydrophobicContact CG-CB 4.3Å; E70-P82 HydrophobicContact CG-CG 4.42Å; L71-P82 CarbonylContact O-C 3.28Å; L71-P82 WeakPolarHBondContact O-CA 3.23Å; Y72-P82 HydrophobicContact CD1-CB 4.06Å; Y72-P82 HydrophobicContact CD2-CB 4.3Å; Y72-P82 HydrophobicContact CE1-CB 3.69Å; Y72-P82 HydrophobicContact CE1-CG 3.92Å; Y72-P82 HydrophobicContact CE2-CB 3.94Å; Y72-P82 HydrophobicContact CG-CB 4.35Å
83	V	91.8	Very high	91.2	Very high	9 Å²	9	59.1 Å²	59.1	6%	0.055	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	135.1	160.8	-170.6	0	0	0	0	108.5	L71 F73 F132	L71-V83 WeakPolarHBondContact CB-O 3.25Å; L71-V83 PolarHBondContact N-O 3.41Å; L71-V83 PolarHBondContact O-N 3.47Å; F73-V83 HydrophobicContact CD2-CG2 4.25Å; F73-V83 HydrophobicContact CE2-CG2 3.63Å; V83-F132 HydrophobicContact CB-CD1 4.34Å; V83-F132 HydrophobicContact CG1-CD1 3.98Å; V83-F132 WeakPolarHBondContact O-CE1 3.4Å
84	C	92	Very high	91.3	Very high	5 Å²	5	57.3 Å²	57.3	3%	0.034	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	128.4	-171.7	-64.8	0	0	0	0	112.1	R68 L69	R68-C84 HydrophobicContact CB-CB 4.03Å; R68-C84 PolarHBondContact NH2-O 3.21Å; L69-C84 CarbonylContact O-C 3.53Å; L69-C84 WeakPolarHBondContact O-CA 3.39Å
85	A	93.1	Very high	91.3	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	136.9	172.1	0	0	0	0	0	112.7	R68 L69 K131 F132	R68-A85 WeakPolarHBondContact CA-O 3.44Å; R68-A85 WeakPolarHBondContact CB-O 3.28Å; L69-A85 HydrophobicContact CB-CB 4.17Å; L69-A85 PolarHBondContact N-O 2.92Å; L69-A85 VanDerWaalsContact N-O 3.11Å; L69-A85 PolarHBondContact O-N 3.36Å; A85-K131 CarbonylContact C-O 3.56Å; A85-K131 WeakPolarHBondContact CA-O 3.27Å; A85-K131 WeakPolarHBondContact CB-O 3.26Å; A85-F132 HydrophobicContact CB-CD1 3.63Å; A85-F132 HydrophobicContact CB-CD2 3.72Å; A85-F132 HydrophobicContact CB-CE1 3.51Å; A85-F132 HydrophobicContact CB-CE2 3.64Å; A85-F132 HydrophobicContact CB-CG 3.75Å; A85-F132 HydrophobicContact CB-CZ 3.53Å
86	N	91.4	Very high	91.3	Very high	37 Å²	37	58.6 Å²	58.6	20%	0.198	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	143	175	-68.8	-31.9	0	0	0	110.8	R68 F88 Y130 K131	R68-N86 PolarHBondContact NE-OD1 3.15Å; R68-N86 PolarHBondContact NH2-OD1 3.05Å; N86-F88 HydrophobicContact CB-CD2 4.43Å; N86-F88 HydrophobicContact CB-CE2 3.52Å; N86-F88 HydrophobicContact CB-CZ 3.75Å; N86-F88 WeakPolarHBondContact O-CD2 3.36Å; N86-F88 WeakPolarHBondContact O-CE2 3.48Å; N86-Y130 VanDerWaalsContact O-CA 3.31Å; N86-Y130 WeakPolarHBondContact O-CA 3.33Å; N86-K131 PolarHBondContact N-O 2.72Å; N86-K131 PolarHBondContact O-N 3.38Å
87	R	93	Very high	91.4	Very high	77 Å²	77	53.7 Å²	53.7	29%	0.291	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	127.6	177.8	-175.2	-178.7	178.4	150.2	3.5	110.2	Y62 T128 Y130	Y62-R87 PolarHBondContact O-NH1 2.95Å; R87-T128 HydrophobicContact CG-CG2 3.62Å; R87-Y130 HydrophobicContact CB-CD1 4.18Å; R87-Y130 HydrophobicContact CB-CE1 3.77Å; R87-Y130 HydrophobicContact CG-CE1 4.09Å
88	F	92.5	Very high	91.5	Very high	72 Å²	72	58 Å²	58	32%	0.316	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	142.7	174.3	-59.3	-89.1	0	0	0	110.8	N86 T128 I129 K131	N86-F88 HydrophobicContact CB-CD2 4.43Å; N86-F88 HydrophobicContact CB-CE2 3.52Å; N86-F88 HydrophobicContact CB-CZ 3.75Å; N86-F88 WeakPolarHBondContact O-CD2 3.36Å; N86-F88 WeakPolarHBondContact O-CE2 3.48Å; F88-T128 WeakPolarHBondContact O-CA 3.48Å; F88-I129 HydrophobicContact CB-CG2 3.69Å; F88-I129 PolarHBondContact N-O 3.03Å; F88-I129 PolarHBondContact O-N 3.35Å; F88-K131 HydrophobicContact CD2-CB 4.18Å; F88-K131 HydrophobicContact CD2-CD 4.02Å; F88-K131 HydrophobicContact CD2-CG 3.83Å; F88-K131 HydrophobicContact CE2-CB 3.87Å; F88-K131 HydrophobicContact CE2-CD 4.14Å; F88-K131 HydrophobicContact CE2-CG 4.02Å
89	S	93.4	Very high	91.7	Very high	114 Å²	114	60.5 Å²	60.5	80%	0.797	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.5	133.2	170.1	-172	0	0	0	0	109.5
90	T	93.1	Very high	91.6	Very high	39 Å²	39	65.8 Å²	65.8	24%	0.239	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	166.4	-179.2	54.2	0	0	0	0	111.5	I126 S127 I129	T90-I126 CarbonylContact C-O 3.59Å; T90-I126 VanDerWaalsContact C-O 3.29Å; T90-I126 PolarHBondContact OG1-O 2.96Å; T90-S127 PolarHBondContact N-O 3.17Å; T90-S127 VanDerWaalsContact N-O 3.1Å; T90-S127 CarbonylContact O-C 3.57Å; T90-S127 VanDerWaalsContact O-CA 3.25Å; T90-S127 WeakPolarHBondContact O-CA 3.18Å; T90-I129 HydrophobicContact CG2-CB 4.39Å; T90-I129 HydrophobicContact CG2-CG2 3.53Å
91	S	91.8	Very high	91.2	Very high	101 Å²	101	69.1 Å²	69.1	71%	0.706	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124	24.2	172.6	52.3	0	0	0	0	112
92	S	93.5	Very high	90.6	Very high	59 Å²	59	77 Å²	77	41%	0.413	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	152.5	-177.4	-53.9	0	0	0	0	111.9	I125 I126	S92-I125 CarbonylContact O-C 3.59Å; S92-I125 WeakPolarHBondContact O-CA 3.34Å; S92-I126 PolarHBondContact O-N 2.92Å
93	L	93.1	Very high	89.2	Confident	73 Å²	73	85.6 Å²	85.6	38%	0.382	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.5	-180	-60.2	-180	0	0	0	110.8	L27 L95 I122 I125	L27-L93 HydrophobicContact CD1-CD1 4.41Å; L27-L93 HydrophobicContact CD1-CD2 3.51Å; L93-L95 HydrophobicContact CB-CD1 3.66Å; L93-I122 HydrophobicContact CB-CG2 4.47Å; L93-I122 HydrophobicContact CD1-CD1 4.22Å; L93-I122 HydrophobicContact CD2-CG2 4.36Å; L93-I125 HydrophobicContact CD2-CB 4.45Å; L93-I125 HydrophobicContact CD2-CG1 3.77Å
94	L	93.2	Very high	87.8	Confident	64 Å²	64	91.5 Å²	91.5	34%	0.335	44%	0.437	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	111.9	169.1	-178.3	63.1	0	0	0	109.6	M33 L123 G124 I126	M33-L94 HydrophobicContact CE-CD2 3.68Å; M33-L94 HydrophobicContact SD-CB 4.46Å; M33-L94 HydrophobicContact SD-CD2 3.86Å; L94-L123 HydrophobicContact CB-CB 4.44Å; L94-L123 HydrophobicContact CD2-CB 4.19Å; L94-L123 HydrophobicContact CD2-CD1 3.95Å; L94-L123 HydrophobicContact CG-CB 4.29Å; L94-L123 HydrophobicContact CG-CD1 4.21Å; L94-L123 PolarHBondContact O-N 2.92Å; L94-G124 PolarHBondContact N-O 2.94Å; L94-I126 HydrophobicContact CB-CD1 4.38Å
95	L	92.4	Very high	85.9	Confident	90 Å²	90	101.5 Å²	101.5	47%	0.471	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	131	178.8	-73.2	81	0	0	0	110.7	L93 I122	L93-L95 HydrophobicContact CB-CD1 3.66Å; L95-I122 HydrophobicContact CG-CG1 4.23Å
96	R	91.4	Very high	84.3	Confident	92 Å²	92	104.8 Å²	104.8	35%	0.347	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	119.4	167.5	-178.4	168.9	72	177.7	4.1	108.9	R98 M120 E121 L123	R96-R98 VanDerWaalsContact CZ-NH2 3.28Å; R96-M120 WeakPolarHBondContact O-CA 3.42Å; R96-E121 IonicContact CZ-OE2 3.3Å; R96-E121 VanDerWaalsContact CZ-OE2 3.29Å; R96-E121 PolarHBondContact N-O 2.65Å; R96-E121 IonicContact NE-OE2 3.78Å; R96-E121 PolarHBondContact NE-OE2 3.14Å; R96-E121 IonicContact NH2-OE2 3.39Å; R96-E121 PolarHBondContact NH2-OE2 2.85Å; R96-E121 PolarHBondContact O-N 3.36Å; R96-L123 HydrophobicContact CB-CD1 3.97Å; R96-L123 HydrophobicContact CB-CD2 4.14Å; R96-L123 HydrophobicContact CB-CG 3.94Å
97	I	91.6	Very high	82.3	Confident	100 Å²	100	109.3 Å²	109.3	51%	0.513	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.7	177.1	-55.1	174.6	0	0	0	108.5	F118 D119 M120	I97-F118 HydrophobicContact CG2-CD1 3.84Å; I97-D119 CarbonylContact C-O 3.56Å; I97-D119 WeakPolarHBondContact CA-O 3.44Å; I97-M120 HydrophobicContact CG1-CG 4.38Å; I97-M120 HydrophobicContact CG2-CG 4.47Å
98	R	89.4	Confident	80.3	Confident	109 Å²	109	114.6 Å²	114.6	41%	0.411	58%	0.576	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-109.4	111.1	174.8	-73.4	171	173.7	171.3	-4.9	108.9	R96 F118 D119	R96-R98 VanDerWaalsContact CZ-NH2 3.28Å; R98-F118 WeakPolarHBondContact O-CA 3.45Å; R98-D119 HydrophobicContact CB-CB 4.08Å; R98-D119 WeakPolarHBondContact CD-OD2 3.21Å; R98-D119 PolarHBondContact N-O 3.47Å; R98-D119 IonicContact NH1-OD2 3.92Å; R98-D119 PolarHBondContact O-N 3.09Å
99	K	88.4	Confident	78.2	Confident	135 Å²	135	113.9 Å²	113.9	59%	0.587	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-84.7	115.9	172	-173.5	-177.1	179.6	178.7	0	109	V116 F118	K99-V116 HydrophobicContact CD-CG1 4.08Å; K99-V116 HydrophobicContact CG-CG1 3.63Å; K99-F118 HydrophobicContact CB-CD1 4.1Å; K99-F118 HydrophobicContact CB-CE1 3.95Å; K99-F118 HydrophobicContact CD-CE1 4.08Å; K99-F118 HydrophobicContact CD-CZ 4.44Å; K99-F118 HydrophobicContact CG-CD1 4.24Å; K99-F118 HydrophobicContact CG-CE1 3.77Å; K99-F118 HydrophobicContact CG-CZ 4.3Å
100	R	84.2	Confident	76.3	Confident	157 Å²	157	115.3 Å²	115.3	59%	0.592	59%	0.593	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-101.2	137.5	168.1	-61.4	-179.8	-175.2	172.3	5.8	108.5	V116 T117	R100-V116 WeakPolarHBondContact O-CA 3.48Å; R100-T117 WeakPolarHBondContact CB-OG1 3.37Å; R100-T117 PolarHBondContact N-O 3.18Å; R100-T117 PolarHBondContact O-N 2.97Å
101	T	83.4	Confident	74.3	Confident	76 Å²	76	120.3 Å²	120.3	47%	0.466	61%	0.614	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-127.6	117.4	-178	-56	0	0	0	0	108.7	T114 E115 V116	T101-T114 HydrophobicContact CG2-CG2 3.14Å; T101-E115 WeakPolarHBondContact CA-O 3.49Å; T101-V116 HydrophobicContact CG2-CG2 4.29Å
102	R	77.5	Confident	72.5	Confident	176 Å²	176	120 Å²	120	66%	0.664	62%	0.617	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-104.2	118.2	176.4	-167.7	178.2	-177.8	-173.5	-0.3	108.5	E115	R102-E115 HydrophobicContact CB-CB 4.49Å; R102-E115 PolarHBondContact N-O 3.29Å; R102-E115 PolarHBondContact O-N 2.92Å
103	R	64	Low	70.8	Confident	213 Å²	213	123.8 Å²	123.8	80%	0.804	63%	0.628	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85	115.7	168.2	-74	-174.1	176.2	-177.6	-0.5	108	K105	R103-K105 PolarHBondContact O-N 3.2Å
104	Q	61	Low	69.5	Low	132 Å²	132	123.8 Å²	123.8	62%	0.617	63%	0.631	S	S	*	*			trans	-70.9	109.5	168.2	-67.4	-168.7	-3.4	0	0	108.1
105	K	52.6	Low	68.6	Low	215 Å²	215	125.3 Å²	125.3	94%	0.935	64%	0.636	S	S	*	*			trans	-89.4	107.7	167.9	-107.5	-173	177.2	-175.9	0	107.6	R103	R103-K105 PolarHBondContact O-N 3.2Å
106	G	58.7	Low	67.9	Low	69 Å²	69	123.6 Å²	123.6	71%	0.711	63%	0.63	S	S	*	*			trans	122.7	78	164.4	0	0	0	0	0	114.4
107	V	49.3	Very low	67.5	Low	132 Å²	132	122.5 Å²	122.5	80%	0.8	63%	0.633	S	S	*	*			trans	-146.9	127.2	135.7	-176.6	0	0	0	0	106.6	G109	V107-G109 PolarHBondContact O-N 2.91Å
108	L	52.9	Low	67.2	Low	188 Å²	188	123 Å²	123	98%	0.984	63%	0.632	S	S	*	*			trans	-71	104.5	167.2	-92.7	123.8	0	0	0	107.8
109	G	48.6	Very low	67	Low	58 Å²	58	120.7 Å²	120.7	60%	0.598	63%	0.628	S	S	*	*	S	Bend	trans	159.4	135.9	178	0	0	0	0	0	110.5	V107	V107-G109 PolarHBondContact O-N 2.91Å
110	T	51.6	Low	67	Low	143 Å²	143	117.6 Å²	117.6	88%	0.877	62%	0.616	S	S	*	*	S	Bend	trans	-40.8	131.8	-171	-31	0	0	0	0	114.4
111	E	52.8	Low	67.3	Low	145 Å²	145	112.2 Å²	112.2	68%	0.678	60%	0.598	S	S	*	*			trans	82.8	91.9	178.2	-53.4	-166.4	179.2	0	0	117.4	H113	E111-H113 PolarHBondContact O-N 2.97Å; E111-H113 IonicContact OE2-CE1 3.67Å
112	A	52.8	Low	67.7	Low	93 Å²	93	109.4 Å²	109.4	77%	0.769	58%	0.58	S	S	*	*			trans	-66.4	90.7	165.5	0	0	0	0	0	110.5	T114	A112-T114 PolarHBondContact O-N 3.12Å; A112-T114 VanDerWaalsContact O-N 3.1Å
113	H	57.6	Low	68.4	Low	139 Å²	139	102.5 Å²	102.5	64%	0.644	56%	0.556	S	S	*	*			trans	-63.3	114.1	172.4	-67.9	-58.4	0	0	0	109.9	E111 E115	E111-H113 PolarHBondContact O-N 2.97Å; E111-H113 IonicContact OE2-CE1 3.67Å; H113-E115 PolarHBondContact O-N 2.78Å
114	T	65.8	Low	69.7	Low	74 Å²	74	92.4 Å²	92.4	45%	0.454	52%	0.518	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	108.4	175.9	-64	0	0	0	0	108	T101 A112 V116	T101-T114 HydrophobicContact CG2-CG2 3.14Å; A112-T114 PolarHBondContact O-N 3.12Å; A112-T114 VanDerWaalsContact O-N 3.1Å; T114-V116 HydrophobicContact CG2-CG2 4.15Å; T114-V116 PolarHBondContact O-N 3.38Å
115	E	74.1	Confident	71.3	Confident	95 Å²	95	87.8 Å²	87.8	44%	0.444	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	118.8	177.3	-169	-177.1	-174.5	0	0	109.3	T101 R102 H113	T101-E115 WeakPolarHBondContact CA-O 3.49Å; R102-E115 HydrophobicContact CB-CB 4.49Å; R102-E115 PolarHBondContact N-O 3.29Å; R102-E115 PolarHBondContact O-N 2.92Å; H113-E115 PolarHBondContact O-N 2.78Å
116	V	79.6	Confident	73.3	Confident	54 Å²	54	78.5 Å²	78.5	33%	0.327	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	115.6	179.9	178.4	0	0	0	0	108.8	K99 R100 T101 T114 F118	K99-V116 HydrophobicContact CD-CG1 4.08Å; K99-V116 HydrophobicContact CG-CG1 3.63Å; R100-V116 WeakPolarHBondContact O-CA 3.48Å; T101-V116 HydrophobicContact CG2-CG2 4.29Å; T114-V116 HydrophobicContact CG2-CG2 4.15Å; T114-V116 PolarHBondContact O-N 3.38Å; V116-F118 HydrophobicContact CG1-CD2 4.31Å; V116-F118 HydrophobicContact CG1-CE1 4.34Å; V116-F118 HydrophobicContact CG1-CE2 3.69Å; V116-F118 HydrophobicContact CG1-CZ 3.71Å
117	T	82.3	Confident	75	Confident	69 Å²	69	76.1 Å²	76.1	42%	0.423	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	135.3	173.6	61.1	0	0	0	0	109.9	R100	R100-T117 WeakPolarHBondContact CB-OG1 3.37Å; R100-T117 PolarHBondContact N-O 3.18Å; R100-T117 PolarHBondContact O-N 2.97Å
118	F	84.4	Confident	77.1	Confident	110 Å²	110	70.3 Å²	70.3	48%	0.482	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	129.8	175.7	-63.8	-84.8	0	0	0	110.6	I97 R98 K99 V116 M120	I97-F118 HydrophobicContact CG2-CD1 3.84Å; R98-F118 WeakPolarHBondContact O-CA 3.45Å; K99-F118 HydrophobicContact CB-CD1 4.1Å; K99-F118 HydrophobicContact CB-CE1 3.95Å; K99-F118 HydrophobicContact CD-CE1 4.08Å; K99-F118 HydrophobicContact CD-CZ 4.44Å; K99-F118 HydrophobicContact CG-CD1 4.24Å; K99-F118 HydrophobicContact CG-CE1 3.77Å; K99-F118 HydrophobicContact CG-CZ 4.3Å; V116-F118 HydrophobicContact CG1-CD2 4.31Å; V116-F118 HydrophobicContact CG1-CE1 4.34Å; V116-F118 HydrophobicContact CG1-CE2 3.69Å; V116-F118 HydrophobicContact CG1-CZ 3.71Å; F118-M120 HydrophobicContact CB-CE 3.94Å
119	D	85.4	Confident	79.2	Confident	62 Å²	62	61.9 Å²	61.9	33%	0.332	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	120.9	170.7	168.6	38	0	0	0	107.9	I97 R98	I97-D119 CarbonylContact C-O 3.56Å; I97-D119 WeakPolarHBondContact CA-O 3.44Å; R98-D119 HydrophobicContact CB-CB 4.08Å; R98-D119 WeakPolarHBondContact CD-OD2 3.21Å; R98-D119 PolarHBondContact N-O 3.47Å; R98-D119 IonicContact NH1-OD2 3.92Å; R98-D119 PolarHBondContact O-N 3.09Å
120	M	89.5	Confident	81.5	Confident	69 Å²	69	59.2 Å²	59.2	34%	0.34	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	130.2	-172.4	-58.8	-172.8	-169.2	0	0	110.4	V25 R96 I97 F118	V25-M120 HydrophobicContact CG2-CB 4.1Å; R96-M120 WeakPolarHBondContact O-CA 3.42Å; I97-M120 HydrophobicContact CG1-CG 4.38Å; I97-M120 HydrophobicContact CG2-CG 4.47Å; F118-M120 HydrophobicContact CB-CE 3.94Å
121	E	90.6	Very high	83.5	Confident	45 Å²	45	55 Å²	55	21%	0.21	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	132.5	176.5	-176.5	-177.4	-172.6	0	0	110.6	R28 R96 L123	R28-E121 IonicContact CZ-OE1 3.49Å; R28-E121 IonicContact NH1-OE1 3.74Å; R28-E121 IonicContact NH2-OE1 2.82Å; R28-E121 PolarHBondContact NH2-OE1 2.72Å; R96-E121 IonicContact CZ-OE2 3.3Å; R96-E121 VanDerWaalsContact CZ-OE2 3.29Å; R96-E121 PolarHBondContact N-O 2.65Å; R96-E121 IonicContact NE-OE2 3.78Å; R96-E121 PolarHBondContact NE-OE2 3.14Å; R96-E121 IonicContact NH2-OE2 3.39Å; R96-E121 PolarHBondContact NH2-OE2 2.85Å; R96-E121 PolarHBondContact O-N 3.36Å; E121-L123 HydrophobicContact CG-CD2 4.35Å
122	I	91.6	Very high	85.4	Confident	16 Å²	16	49.7 Å²	49.7	8%	0.082	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.8	117.8	168.5	-63.8	160	0	0	0	108.3	V25 L27 L93 L95	V25-I122 HydrophobicContact CB-CD1 4.08Å; V25-I122 HydrophobicContact CB-CG1 4.36Å; V25-I122 HydrophobicContact CG1-CB 4.19Å; V25-I122 HydrophobicContact CG1-CD1 3.84Å; V25-I122 HydrophobicContact CG1-CG1 3.67Å; L27-I122 HydrophobicContact CB-CD1 4.4Å; L27-I122 HydrophobicContact CD1-CD1 4.36Å; L27-I122 HydrophobicContact CD1-CG2 3.71Å; L93-I122 HydrophobicContact CB-CG2 4.47Å; L93-I122 HydrophobicContact CD1-CD1 4.22Å; L93-I122 HydrophobicContact CD2-CG2 4.36Å; L95-I122 HydrophobicContact CG-CG1 4.23Å
123	L	91.2	Very high	87.1	Confident	32 Å²	32	51.2 Å²	51.2	17%	0.168	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	-26.9	-178.8	-64.9	-175.8	0	0	0	113.3	R31 L94 R96 E121	R31-L123 VanDerWaalsContact CD-O 3.25Å; R31-L123 WeakPolarHBondContact CD-O 3.33Å; R31-L123 PolarHBondContact NH1-O 3.26Å; R31-L123 VanDerWaalsContact NH1-O 3.09Å; L94-L123 HydrophobicContact CB-CB 4.44Å; L94-L123 HydrophobicContact CD2-CB 4.19Å; L94-L123 HydrophobicContact CD2-CD1 3.95Å; L94-L123 HydrophobicContact CG-CB 4.29Å; L94-L123 HydrophobicContact CG-CD1 4.21Å; L94-L123 PolarHBondContact O-N 2.92Å; R96-L123 HydrophobicContact CB-CD1 3.97Å; R96-L123 HydrophobicContact CB-CD2 4.14Å; R96-L123 HydrophobicContact CB-CG 3.94Å; E121-L123 HydrophobicContact CG-CD2 4.35Å
124	G	92.4	Very high	88.5	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.7	-179.5	-177.7	0	0	0	0	0	113.4	R31 L94	R31-G124 CarbonylContact O-C 3.29Å; R31-G124 VanDerWaalsContact O-CA 3.26Å; R31-G124 WeakPolarHBondContact O-CA 3.45Å; L94-G124 PolarHBondContact N-O 2.94Å
125	I	94.2	Very high	89.5	Confident	36 Å²	36	46.2 Å²	46.2	19%	0.185	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	128.2	178.7	-55.1	174	0	0	0	108.9	L27 R31 R32 M33 S92 L93 S127	L27-I125 HydrophobicContact CD1-CD1 4.3Å; L27-I125 HydrophobicContact CD1-CG1 4.01Å; R31-I125 PolarHBondContact O-N 2.66Å; R32-I125 CarbonylContact C-O 3.58Å; R32-I125 WeakPolarHBondContact CA-O 3.32Å; M33-I125 PolarHBondContact N-O 2.94Å; S92-I125 CarbonylContact O-C 3.59Å; S92-I125 WeakPolarHBondContact O-CA 3.34Å; L93-I125 HydrophobicContact CD2-CB 4.45Å; L93-I125 HydrophobicContact CD2-CG1 3.77Å; I125-S127 PolarHBondContact O-N 3.5Å
126	I	95.1	Very high	90.2	Very high	20 Å²	20	44.7 Å²	44.7	10%	0.103	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	98.2	172	-59.4	168.4	0	0	0	107.7	M33 C35 T90 S92 L94 T128	M33-I126 HydrophobicContact CB-CG1 4.44Å; M33-I126 WeakPolarHBondContact O-CA 3.29Å; C35-I126 HydrophobicContact CB-CD1 4.13Å; C35-I126 HydrophobicContact CB-CG1 4.46Å; C35-I126 HydrophobicContact CB-CG2 3.46Å; C35-I126 VanDerWaalsContact CB-CG2 3.46Å; T90-I126 CarbonylContact C-O 3.59Å; T90-I126 VanDerWaalsContact C-O 3.29Å; T90-I126 PolarHBondContact OG1-O 2.96Å; S92-I126 PolarHBondContact O-N 2.92Å; L94-I126 HydrophobicContact CB-CD1 4.38Å; I126-T128 WeakPolarHBondContact CG2-O 3.44Å
127	S	93.3	Very high	90.7	Very high	19 Å²	19	43.1 Å²	43.1	13%	0.133	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-22.4	-179.9	55.5	0	0	0	0	113	M33 T90 I125	M33-S127 PolarHBondContact O-N 3.41Å; T90-S127 PolarHBondContact N-O 3.17Å; T90-S127 VanDerWaalsContact N-O 3.1Å; T90-S127 CarbonylContact O-C 3.57Å; T90-S127 VanDerWaalsContact O-CA 3.25Å; T90-S127 WeakPolarHBondContact O-CA 3.18Å; I125-S127 PolarHBondContact O-N 3.5Å
128	T	94.4	Very high	91	Very high	9 Å²	9	46.5 Å²	46.5	6%	0.055	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	132.8	-176.6	-60.5	0	0	0	0	110	V34 C35 Y62 R87 F88 I126 Y130	V34-T128 WeakPolarHBondContact CA-O 3.35Å; V34-T128 HydrophobicContact CG1-CG2 4.46Å; C35-T128 PolarHBondContact N-O 3.43Å; Y62-T128 HydrophobicContact CD2-CG2 4.48Å; Y62-T128 HydrophobicContact CE2-CG2 4.3Å; R87-T128 HydrophobicContact CG-CG2 3.62Å; F88-T128 WeakPolarHBondContact O-CA 3.48Å; I126-T128 WeakPolarHBondContact CG2-O 3.44Å; T128-Y130 HydrophobicContact CG2-CD2 4.45Å; T128-Y130 HydrophobicContact CG2-CE2 3.97Å
129	I	96.1	Very high	91.2	Very high	12 Å²	12	44.3 Å²	44.3	6%	0.062	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	134.6	175.9	-165.4	159.1	0	0	0	110.6	C35 E37 F88 T90 K131	C35-I129 HydrophobicContact CB-CB 4.36Å; C35-I129 HydrophobicContact CB-CD1 4.11Å; C35-I129 HydrophobicContact CB-CG1 3.91Å; C35-I129 CarbonylContact O-C 3.36Å; C35-I129 VanDerWaalsContact O-CA 3.27Å; C35-I129 WeakPolarHBondContact O-CA 3.36Å; E37-I129 HydrophobicContact CG-CD1 3.71Å; E37-I129 HydrophobicContact CG-CG1 3.94Å; E37-I129 WeakPolarHBondContact OE1-CD1 3.35Å; F88-I129 HydrophobicContact CB-CG2 3.69Å; F88-I129 PolarHBondContact N-O 3.03Å; F88-I129 PolarHBondContact O-N 3.35Å; T90-I129 HydrophobicContact CG2-CB 4.39Å; T90-I129 HydrophobicContact CG2-CG2 3.53Å; I129-K131 HydrophobicContact CG1-CG 4.25Å; I129-K131 HydrophobicContact CG2-CG 4.32Å
130	Y	96	Very high	91.2	Very high	1 Å²	1	47.1 Å²	47.1	0%	0.004	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	124	172.3	-72.1	-87.5	0	0	0	109.3	V34 C35 V36 E37 I61 Y62 L69 N86 R87 T128	V34-Y130 HydrophobicContact CG1-CD2 3.92Å; V34-Y130 HydrophobicContact CG1-CE2 3.78Å; C35-Y130 PolarHBondContact O-N 2.7Å; V36-Y130 HydrophobicContact CG2-CD2 4.28Å; E37-Y130 PolarHBondContact N-O 3.15Å; I61-Y130 HydrophobicContact CG2-CE1 4.19Å; I61-Y130 PolarHBondContact O-OH 3.49Å; Y62-Y130 WeakPolarHBondContact CA-OH 3.26Å; L69-Y130 HydrophobicContact CB-CD1 3.57Å; L69-Y130 HydrophobicContact CB-CE1 3.95Å; L69-Y130 HydrophobicContact CB-CG 4.1Å; L69-Y130 HydrophobicContact CD2-CD1 4.32Å; L69-Y130 HydrophobicContact CD2-CD2 4.4Å; L69-Y130 HydrophobicContact CD2-CG 3.98Å; N86-Y130 VanDerWaalsContact O-CA 3.31Å; N86-Y130 WeakPolarHBondContact O-CA 3.33Å; R87-Y130 HydrophobicContact CB-CD1 4.18Å; R87-Y130 HydrophobicContact CB-CE1 3.77Å; R87-Y130 HydrophobicContact CG-CE1 4.09Å; T128-Y130 HydrophobicContact CG2-CD2 4.45Å; T128-Y130 HydrophobicContact CG2-CE2 3.97Å
131	K	94.3	Very high	91	Very high	56 Å²	56	48.2 Å²	48.2	24%	0.243	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	131.4	-178.8	-50.6	-171.2	175.8	-124	0	111.8	E37 A85 N86 F88 I129 Q133	E37-K131 VanDerWaalsContact CD-NZ 3.28Å; E37-K131 HydrophobicContact CG-CG 4.38Å; E37-K131 WeakPolarHBondContact OE1-CE 3.29Å; E37-K131 IonicContact OE1-NZ 3.47Å; E37-K131 PolarHBondContact OE1-NZ 3.4Å; E37-K131 VanDerWaalsContact OE2-CD 3.26Å; E37-K131 WeakPolarHBondContact OE2-CD 3.39Å; E37-K131 WeakPolarHBondContact OE2-CE 3.5Å; E37-K131 VanDerWaalsContact OE2-CG 3.28Å; E37-K131 WeakPolarHBondContact OE2-CG 2.93Å; E37-K131 IonicContact OE2-NZ 2.81Å; E37-K131 PolarHBondContact OE2-NZ 3.16Å; E37-K131 VanDerWaalsContact OE2-NZ 3.12Å; A85-K131 CarbonylContact C-O 3.56Å; A85-K131 WeakPolarHBondContact CA-O 3.27Å; A85-K131 WeakPolarHBondContact CB-O 3.26Å; N86-K131 PolarHBondContact N-O 2.72Å; N86-K131 PolarHBondContact O-N 3.38Å; F88-K131 HydrophobicContact CD2-CB 4.18Å; F88-K131 HydrophobicContact CD2-CD 4.02Å; F88-K131 HydrophobicContact CD2-CG 3.83Å; F88-K131 HydrophobicContact CE2-CB 3.87Å; F88-K131 HydrophobicContact CE2-CD 4.14Å; F88-K131 HydrophobicContact CE2-CG 4.02Å; I129-K131 HydrophobicContact CG1-CG 4.25Å; I129-K131 HydrophobicContact CG2-CG 4.32Å; K131-Q133 HydrophobicContact CB-CG 4.26Å; K131-Q133 PolarHBondContact O-N 2.94Å
132	F	93.1	Very high	90.7	Very high	32 Å²	32	46.1 Å²	46.1	14%	0.14	23%	0.228	C	C	.	.			trans	-88.1	87.5	174.7	-61.1	-93.8	0	0	0	109.1	V36 E37 P39 L52 L69 L71 V83 A85	V36-F132 HydrophobicContact CG1-CE2 3.84Å; V36-F132 HydrophobicContact CG1-CZ 4.44Å; E37-F132 VanDerWaalsContact O-CD2 3.25Å; E37-F132 WeakPolarHBondContact O-CD2 3.43Å; P39-F132 HydrophobicContact CB-CB 4.09Å; P39-F132 HydrophobicContact CB-CD2 4.45Å; P39-F132 HydrophobicContact CB-CG 4.33Å; P39-F132 VanDerWaalsContact CD-CD2 3.46Å; P39-F132 HydrophobicContact CG-CB 4.05Å; P39-F132 HydrophobicContact CG-CD1 4.25Å; P39-F132 HydrophobicContact CG-CD2 3.89Å; P39-F132 HydrophobicContact CG-CE2 4.39Å; P39-F132 HydrophobicContact CG-CG 3.78Å; L52-F132 HydrophobicContact CD2-CZ 3.88Å; L69-F132 HydrophobicContact CD2-CZ 4.48Å; L71-F132 HydrophobicContact CB-CD1 4.26Å; L71-F132 HydrophobicContact CB-CE1 3.36Å; L71-F132 HydrophobicContact CB-CZ 3.77Å; L71-F132 HydrophobicContact CD2-CD1 4.37Å; L71-F132 HydrophobicContact CD2-CE1 4.02Å; L71-F132 HydrophobicContact CD2-CZ 4.2Å; L71-F132 HydrophobicContact CG-CE1 4.34Å; V83-F132 HydrophobicContact CB-CD1 4.34Å; V83-F132 HydrophobicContact CG1-CD1 3.98Å; V83-F132 WeakPolarHBondContact O-CE1 3.4Å; A85-F132 HydrophobicContact CB-CD1 3.63Å; A85-F132 HydrophobicContact CB-CD2 3.72Å; A85-F132 HydrophobicContact CB-CE1 3.51Å; A85-F132 HydrophobicContact CB-CE2 3.64Å; A85-F132 HydrophobicContact CB-CG 3.75Å; A85-F132 HydrophobicContact CB-CZ 3.53Å
133	Q	89.1	Confident	90.4	Very high	125 Å²	125	48 Å²	48	58%	0.584	24%	0.24	S	C	*	.			trans	-96.5	-17.7	175.7	-65.7	176.6	-51.6	0	0	112.6	K131	K131-Q133 HydrophobicContact CB-CG 4.26Å; K131-Q133 PolarHBondContact O-N 2.94Å
134	G	85.8	Confident	90.1	Very high	14 Å²	14	49.8 Å²	49.8	14%	0.144	25%	0.248	C	C	.	.	S	Bend	trans	-77.1	154.2	178.7	0	0	0	0	0	112.8	D186	G134-D186 CarbonylContact C-O 3.53Å; G134-D186 WeakPolarHBondContact CA-O 3.27Å; G134-D186 VanDerWaalsContact CA-OD1 3.25Å; G134-D186 WeakPolarHBondContact CA-OD1 3.47Å
135	M	87.5	Confident	89.7	Confident	95 Å²	95	53.3 Å²	53.3	47%	0.468	27%	0.269	S	S	.	.	P	Polyproline II helix	trans	-78	155.2	173.8	-62.6	-169.3	-58.7	0	0	110.8	D186 P188	M135-D186 PolarHBondContact N-O 2.77Å; M135-P188 HydrophobicContact CE-CB 4.45Å; M135-P188 HydrophobicContact SD-CB 4.19Å
136	S	89	Confident	89.2	Confident	62 Å²	62	55.3 Å²	55.3	43%	0.434	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-67.7	140.7	168	179.1	0	0	0	0	110
137	D	89.3	Confident	88.6	Confident	22 Å²	22	60.1 Å²	60.1	12%	0.118	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-66.3	164.9	166.7	-158.7	2.9	0	0	0	110.9	H81 I181 F182 S183	H81-D137 HydrophobicContact CB-CB 3.98Å; H81-D137 IonicContact CD2-OD2 3.74Å; D137-I181 WeakPolarHBondContact OD2-CA 3.42Å; D137-F182 WeakPolarHBondContact OD1-CB 3.28Å; D137-F182 PolarHBondContact OD2-N 2.98Å; D137-S183 WeakPolarHBondContact OD1-CA 3.21Å; D137-S183 WeakPolarHBondContact OD1-CB 3.38Å; D137-S183 PolarHBondContact OD1-N 3.21Å
138	F	89.1	Confident	88.1	Confident	140 Å²	140	62.9 Å²	62.9	61%	0.614	35%	0.352	S	S	*	.	P	Polyproline II helix	trans	-58.9	137	171.3	-62.1	-87.6	0	0	0	109.9	F182	F138-F182 HydrophobicContact CB-CB 3.74Å; F138-F182 HydrophobicContact CB-CD2 4.11Å; F138-F182 HydrophobicContact CB-CG 3.93Å; F138-F182 HydrophobicContact CD2-CB 3.67Å; F138-F182 HydrophobicContact CG-CB 4.12Å; F138-F182 WeakPolarHBondContact O-CD2 3.45Å
139	Q	88.5	Confident	87.7	Confident	64 Å²	64	64.6 Å²	64.6	30%	0.299	37%	0.372	S	S	.	.			trans	-108.8	129.4	-179.5	-62.2	-72.5	-36.3	0	0	108.2	H81	H81-Q139 PolarHBondContact O-NE2 3.44Å
140	Y	85.9	Confident	87.3	Confident	120 Å²	120	70.2 Å²	70.2	47%	0.471	40%	0.396	S	S	.	.			trans	-127	119.4	179.1	-166.3	-115.1	0	0	0	109.5	Y176 P178 F182	Y140-Y176 AromaticContact CD1-CE2 3.9Å; Y140-Y176 HydrophobicContact CD1-CE2 3.9Å; Y140-Y176 AromaticContact CD1-CZ 3.53Å; Y140-Y176 WeakPolarHBondContact CD1-OH 3.46Å; Y140-Y176 HydrophobicContact CE1-CD2 4.12Å; Y140-Y176 HydrophobicContact CE1-CE1 4.5Å; Y140-Y176 AromaticContact CE1-CE2 3.17Å; Y140-Y176 HydrophobicContact CE1-CE2 3.17Å; Y140-Y176 AromaticContact CE1-CZ 3.33Å; Y140-Y176 WeakPolarHBondContact CE1-OH 3.32Å; Y140-Y176 AromaticContact CZ-CE2 3.91Å; Y140-P178 HydrophobicContact CD1-CB 4.42Å; Y140-F182 HydrophobicContact CG-CZ 4.32Å
141	L	84.9	Confident	86.9	Confident	93 Å²	93	76.3 Å²	76.3	49%	0.487	42%	0.424	S	S	.	.			trans	-91.1	140.5	-178.1	-64.2	178.7	0	0	0	110.7	V143 Y176	L141-V143 HydrophobicContact CB-CG2 4.14Å; L141-V143 PolarHBondContact O-N 3.39Å; L141-Y176 PolarHBondContact O-OH 3.31Å
142	A	83.6	Confident	86.5	Confident	0 Å²	0	74.9 Å²	74.9	0%	0	42%	0.42	C	S	.	.			trans	-74.4	72.2	-179.3	0	0	0	0	0	113.1	Y79 M154 Y155 Y176	Y79-A142 HydrophobicContact CD2-CB 4.28Å; Y79-A142 HydrophobicContact CE2-CB 4.43Å; A142-M154 HydrophobicContact CB-CB 4.06Å; A142-M154 PolarHBondContact O-N 2.99Å; A142-Y155 HydrophobicContact CB-CD1 4.25Å; A142-Y155 HydrophobicContact CB-CD2 3.69Å; A142-Y155 HydrophobicContact CB-CE1 4.1Å; A142-Y155 HydrophobicContact CB-CE2 3.52Å; A142-Y155 HydrophobicContact CB-CG 4.06Å; A142-Y176 WeakPolarHBondContact CA-OH 3.27Å; A142-Y176 HydrophobicContact CB-CD1 3.96Å; A142-Y176 HydrophobicContact CB-CE1 3.26Å; A142-Y176 HydrophobicContact CB-CE2 4.4Å; A142-Y176 PolarHBondContact N-OH 2.88Å
143	V	86.1	Confident	86.2	Confident	55 Å²	55	76.4 Å²	76.4	33%	0.333	43%	0.434	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	123	-177.7	-176	0	0	0	0	109.5	L141 H151 T152	L141-V143 HydrophobicContact CB-CG2 4.14Å; L141-V143 PolarHBondContact O-N 3.39Å; V143-H151 HydrophobicContact CG1-CB 3.72Å; V143-T152 WeakPolarHBondContact CA-O 3.42Å
144	H	84.3	Confident	86	Confident	71 Å²	71	70.6 Å²	70.6	33%	0.329	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	132.6	169.4	-178.8	65.7	0	0	0	109.6	H151 T152 M154	H144-H151 CarbonylContact O-C 3.52Å; H144-H151 WeakPolarHBondContact O-CA 3.26Å; H144-T152 PolarHBondContact N-O 3.45Å; H144-T152 PolarHBondContact O-N 3.23Å; H144-M154 HydrophobicContact CB-CE 4.39Å; H144-M154 HydrophobicContact CB-CG 3.9Å; H144-M154 HydrophobicContact CB-SD 3.67Å
145	T	85.1	Confident	86	Confident	73 Å²	73	72.1 Å²	72.1	45%	0.448	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	113.1	174.8	-52	0	0	0	0	108.6	K150 H151	T145-K150 WeakPolarHBondContact CA-O 3.35Å; T145-H151 PolarHBondContact OG1-CE1 3.15Å; T145-H151 VanDerWaalsContact OG1-CE1 3.27Å; T145-H151 PolarHBondContact OG1-ND1 2.88Å
146	E	83	Confident	85.7	Confident	79 Å²	79	73.1 Å²	73.1	37%	0.369	42%	0.416	S	S	.	.			trans	-70.6	161.1	176.2	-66.3	167.7	-159.3	0	0	110.4	G148 G149 K150 T152	E146-G148 PolarHBondContact O-N 2.75Å; E146-G149 PolarHBondContact O-N 3.3Å; E146-K150 HydrophobicContact CB-CB 4.46Å; E146-K150 PolarHBondContact N-O 2.86Å; E146-T152 PolarHBondContact OE1-OG1 3.01Å; E146-T152 VanDerWaalsContact OE1-OG1 3.11Å
147	A	81.5	Confident	85.3	Confident	120 Å²	120	73.4 Å²	73.4	99%	0.992	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.4	-23	-178.4	0	0	0	0	0	114.2	G149	A147-G149 VanDerWaalsContact C-N 3.31Å
148	G	83.9	Confident	84.9	Confident	78 Å²	78	74.2 Å²	74.2	80%	0.804	42%	0.415	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.6	7.8	173.8	0	0	0	0	0	115.2	E146 K150	E146-G148 PolarHBondContact O-N 2.75Å; G148-K150 VanDerWaalsContact C-N 3.28Å; G148-K150 PolarHBondContact O-N 3.41Å
149	G	84.9	Confident	84.5	Confident	45 Å²	45	69.2 Å²	69.2	46%	0.464	40%	0.395	S	S	.	.	S	Bend	trans	77.7	6.9	-178.2	0	0	0	0	0	114.7	E146 A147	E146-G149 PolarHBondContact O-N 3.3Å; A147-G149 VanDerWaalsContact C-N 3.31Å
150	K	89.1	Confident	84.1	Confident	130 Å²	130	71.9 Å²	71.9	57%	0.565	41%	0.409	S	S	*	.			trans	-76.3	128.9	176.1	-175.3	-177.3	173.3	-166.1	0	110	T145 E146 G148	T145-K150 WeakPolarHBondContact CA-O 3.35Å; E146-K150 HydrophobicContact CB-CB 4.46Å; E146-K150 PolarHBondContact N-O 2.86Å; G148-K150 VanDerWaalsContact C-N 3.28Å; G148-K150 PolarHBondContact O-N 3.41Å
151	H	86.9	Confident	83.7	Confident	129 Å²	129	72.2 Å²	72.2	60%	0.597	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.4	127.9	176.5	-60.3	-64.5	0	0	0	110.8	V143 H144 T145	V143-H151 HydrophobicContact CG1-CB 3.72Å; H144-H151 CarbonylContact O-C 3.52Å; H144-H151 WeakPolarHBondContact O-CA 3.26Å; T145-H151 PolarHBondContact OG1-CE1 3.15Å; T145-H151 VanDerWaalsContact OG1-CE1 3.27Å; T145-H151 PolarHBondContact OG1-ND1 2.88Å
152	T	86.6	Confident	83.5	Confident	26 Å²	26	76.9 Å²	76.9	16%	0.16	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	126.9	178.3	-61.7	0	0	0	0	109.5	V143 H144 E146	V143-T152 WeakPolarHBondContact CA-O 3.42Å; H144-T152 PolarHBondContact N-O 3.45Å; H144-T152 PolarHBondContact O-N 3.23Å; E146-T152 PolarHBondContact OE1-OG1 3.01Å; E146-T152 VanDerWaalsContact OE1-OG1 3.11Å
153	S	86.6	Confident	83.7	Confident	63 Å²	63	83.4 Å²	83.4	44%	0.441	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.8	132.9	173.7	178.2	0	0	0	0	110.5	Y155	S153-Y155 WeakPolarHBondContact OG-CD2 3.41Å
154	M	85.3	Confident	83.8	Confident	3 Å²	3	85.1 Å²	85.1	2%	0.015	48%	0.476	C	S	.	.			trans	-101.8	-6.9	-179.8	-58.1	-60.5	-79.2	0	0	112.4	A142 H144 D156 K157 V158 L173 P174	A142-M154 HydrophobicContact CB-CB 4.06Å; A142-M154 PolarHBondContact O-N 2.99Å; H144-M154 HydrophobicContact CB-CE 4.39Å; H144-M154 HydrophobicContact CB-CG 3.9Å; H144-M154 HydrophobicContact CB-SD 3.67Å; M154-D156 PolarHBondContact O-N 3.47Å; M154-K157 HydrophobicContact CE-CD 4.35Å; M154-K157 PolarHBondContact O-N 2.89Å; M154-K157 HydrophobicContact SD-CD 4.02Å; M154-V158 HydrophobicContact CB-CG2 4.2Å; M154-V158 WeakPolarHBondContact O-CG2 3.48Å; M154-V158 PolarHBondContact O-N 2.92Å; M154-L173 HydrophobicContact CE-CD2 3.75Å; M154-P174 HydrophobicContact CE-CG 4.17Å
155	Y	84.5	Confident	83.9	Confident	46 Å²	46	90 Å²	90	18%	0.18	50%	0.496	C	S	.	.	H	α-helix	trans	-53.9	-51.1	-177.5	-75.2	-85.3	0	0	0	112.5	D77 P78 Y79 A142 S153 K157 V158 L159	D77-Y155 WeakPolarHBondContact OD1-CE1 3.3Å; D77-Y155 PolarHBondContact OD1-OH 3.26Å; D77-Y155 PolarHBondContact OD2-OH 2.79Å; P78-Y155 HydrophobicContact CG-CE1 4.5Å; Y79-Y155 HydrophobicContact CD2-CD1 4.22Å; Y79-Y155 AromaticContact CD2-CE1 3.71Å; Y79-Y155 HydrophobicContact CD2-CE1 3.71Å; Y79-Y155 HydrophobicContact CE2-CD1 4.48Å; Y79-Y155 HydrophobicContact CE2-CE1 4.4Å; A142-Y155 HydrophobicContact CB-CD1 4.25Å; A142-Y155 HydrophobicContact CB-CD2 3.69Å; A142-Y155 HydrophobicContact CB-CE1 4.1Å; A142-Y155 HydrophobicContact CB-CE2 3.52Å; A142-Y155 HydrophobicContact CB-CG 4.06Å; S153-Y155 WeakPolarHBondContact OG-CD2 3.41Å; Y155-K157 PolarHBondContact O-N 2.81Å; Y155-V158 PolarHBondContact O-N 3.45Å; Y155-L159 HydrophobicContact CD1-CD1 3.64Å; Y155-L159 HydrophobicContact CG-CD1 4.43Å; Y155-L159 VanDerWaalsContact O-CB 3.25Å; Y155-L159 WeakPolarHBondContact O-CB 3.49Å; Y155-L159 PolarHBondContact O-N 3.35Å
156	D	81.3	Confident	84.2	Confident	116 Å²	116	93.3 Å²	93.3	62%	0.62	51%	0.506	S	S	*	.	H	α-helix	trans	-71.5	-14.5	-179.3	-58.7	-37.9	0	0	0	113.6	M154	M154-D156 PolarHBondContact O-N 3.47Å
157	K	81.1	Confident	84.4	Confident	68 Å²	68	93.3 Å²	93.3	30%	0.296	52%	0.52	S	S	.	.	H	α-helix	trans	-94.5	-27	-179.9	-61	-177.9	-178.9	-177.2	0	112.5	M154 Y155 F168 L173	M154-K157 HydrophobicContact CE-CD 4.35Å; M154-K157 PolarHBondContact O-N 2.89Å; M154-K157 HydrophobicContact SD-CD 4.02Å; Y155-K157 PolarHBondContact O-N 2.81Å; K157-F168 WeakPolarHBondContact O-CE2 3.48Å; K157-F168 WeakPolarHBondContact O-CZ 3.35Å; K157-L173 HydrophobicContact CB-CD1 4.12Å; K157-L173 HydrophobicContact CB-CD2 3.8Å; K157-L173 HydrophobicContact CD-CD2 3.74Å; K157-L173 HydrophobicContact CG-CD2 4.34Å; K157-L173 VanDerWaalsContact O-CD1 3.3Å; K157-L173 WeakPolarHBondContact O-CD1 3.31Å
158	V	81.4	Confident	84.6	Confident	39 Å²	39	89.2 Å²	89.2	24%	0.236	48%	0.48	C	S	.	.	H	α-helix	trans	-101.7	-35.2	-177.3	-176.6	0	0	0	0	111.2	Y79 M154 Y155 Y176	Y79-V158 WeakPolarHBondContact OH-CG1 3.28Å; M154-V158 HydrophobicContact CB-CG2 4.2Å; M154-V158 WeakPolarHBondContact O-CG2 3.48Å; M154-V158 PolarHBondContact O-N 2.92Å; Y155-V158 PolarHBondContact O-N 3.45Å; V158-Y176 HydrophobicContact CG2-CD1 4.34Å
159	L	79.9	Confident	84.7	Confident	36 Å²	36	91.6 Å²	91.6	19%	0.188	47%	0.468	C	S	.	.			trans	-95.3	122.5	-175.7	-61.6	161.7	0	0	0	111.2	P78 Y79 Y155 L161	P78-L159 HydrophobicContact CG-CD1 3.34Å; P78-L159 HydrophobicContact CG-CD2 4.02Å; P78-L159 HydrophobicContact CG-CG 4.32Å; Y79-L159 HydrophobicContact CE2-CD1 4.19Å; Y79-L159 HydrophobicContact CE2-CD2 4.09Å; Y79-L159 HydrophobicContact CE2-CG 4.16Å; Y155-L159 HydrophobicContact CD1-CD1 3.64Å; Y155-L159 HydrophobicContact CG-CD1 4.43Å; Y155-L159 VanDerWaalsContact O-CB 3.25Å; Y155-L159 WeakPolarHBondContact O-CB 3.49Å; Y155-L159 PolarHBondContact O-N 3.35Å; L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 HydrophobicContact CB-CD2 4.43Å; L159-L161 HydrophobicContact CB-CG 4.41Å; L159-L161 PolarHBondContact O-N 3.13Å
160	M	80.3	Confident	84.8	Confident	119 Å²	119	95.8 Å²	95.8	59%	0.586	48%	0.476	S	S	*	.			trans	-75.6	85.5	168.5	-65.9	-172.7	-67.3	0	0	110	F168 F169	M160-F168 HydrophobicContact CG-CD1 4.46Å; M160-F168 HydrophobicContact CG-CE1 3.71Å; M160-F168 HydrophobicContact CG-CZ 4.15Å; M160-F168 HydrophobicContact SD-CE1 4.48Å; M160-F169 HydrophobicContact SD-CE1 3.7Å; M160-F169 HydrophobicContact SD-CZ 3.62Å
161	L	77.1	Confident	84.5	Confident	127 Å²	127	93.5 Å²	93.5	67%	0.665	47%	0.467	S	S	*	.	S	Bend	trans	-75.3	-17.8	172.5	-62.7	178.2	0	0	0	112.2	L159	L159-L161 VanDerWaalsContact C-N 3.33Å; L159-L161 HydrophobicContact CB-CD2 4.43Å; L159-L161 HydrophobicContact CB-CG 4.41Å; L159-L161 PolarHBondContact O-N 3.13Å
162	R	82.3	Confident	84.3	Confident	192 Å²	192	96.3 Å²	96.3	73%	0.725	48%	0.48	S	S	*	.	S	Bend	trans	-142.8	162.2	-179.1	-54.9	-177.6	-167.5	162.9	6.3	109.1	E164	R162-E164 PolarHBondContact O-N 3.23Å
163	P	85.9	Confident	84	Confident	136 Å²	136	97.9 Å²	97.9	88%	0.883	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-60	119.7	169	-21.7	33.6	0	0	0	110.3
164	E	88.1	Confident	83.5	Confident	91 Å²	91	97.6 Å²	97.6	43%	0.425	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-102.7	159	-177.6	-72	-59.8	154.9	0	0	112.4	R162 F168	R162-E164 PolarHBondContact O-N 3.23Å; E164-F168 HydrophobicContact CB-CB 3.68Å; E164-F168 HydrophobicContact CB-CD1 3.95Å; E164-F168 HydrophobicContact CB-CD2 4.21Å; E164-F168 HydrophobicContact CB-CG 3.69Å; E164-F168 HydrophobicContact CG-CB 4.2Å; E164-F168 HydrophobicContact CG-CD1 4.13Å; E164-F168 HydrophobicContact CG-CD2 3.77Å; E164-F168 HydrophobicContact CG-CE1 4.47Å; E164-F168 HydrophobicContact CG-CE2 4.13Å; E164-F168 HydrophobicContact CG-CG 3.77Å; E164-F168 HydrophobicContact CG-CZ 4.47Å
165	K	88.4	Confident	82.8	Confident	175 Å²	175	105.5 Å²	105.5	76%	0.761	53%	0.525	S	S	*	.	P	Polyproline II helix	trans	-85.5	166.7	176.8	-65.9	-177.5	-179.3	178.9	0	111.2	A167 F168	K165-A167 PolarHBondContact O-N 2.92Å; K165-A167 VanDerWaalsContact O-N 3.07Å; K165-F168 VanDerWaalsContact O-CB 3.28Å; K165-F168 WeakPolarHBondContact O-CB 3.4Å; K165-F168 PolarHBondContact O-N 3.33Å
166	E	90.4	Very high	82.4	Confident	142 Å²	142	104.1 Å²	104.1	66%	0.664	52%	0.52	S	S	*	.	H	α-helix	trans	-49.6	-38.4	178.8	-159.4	-170.3	163.7	0	0	113.7	F168 F169 H170	E166-F168 PolarHBondContact O-N 3.22Å; E166-F168 VanDerWaalsContact O-N 3.13Å; E166-F169 PolarHBondContact O-N 3.49Å; E166-H170 PolarHBondContact O-CD2 2.93Å; E166-H170 PolarHBondContact O-N 3.42Å; E166-H170 IonicContact OE1-CD2 3.26Å; E166-H170 IonicContact OE1-NE2 2.66Å; E166-H170 PolarHBondContact OE1-NE2 3.22Å
167	A	87	Confident	82.1	Confident	79 Å²	79	105.2 Å²	105.2	65%	0.653	52%	0.524	S	S	*	.	H	α-helix	trans	-57.8	-27.4	178.9	0	0	0	0	0	114.2	K165 Q171	K165-A167 PolarHBondContact O-N 2.92Å; K165-A167 VanDerWaalsContact O-N 3.07Å; A167-Q171 PolarHBondContact O-N 2.92Å
168	F	86.3	Confident	82.1	Confident	33 Å²	33	102.9 Å²	102.9	15%	0.145	52%	0.516	C	S	.	.	H	α-helix	trans	-66	-40.7	175.4	178.5	-93	0	0	0	111.5	K157 M160 E164 K165 E166 Q171	K157-F168 WeakPolarHBondContact O-CE2 3.48Å; K157-F168 WeakPolarHBondContact O-CZ 3.35Å; M160-F168 HydrophobicContact CG-CD1 4.46Å; M160-F168 HydrophobicContact CG-CE1 3.71Å; M160-F168 HydrophobicContact CG-CZ 4.15Å; M160-F168 HydrophobicContact SD-CE1 4.48Å; E164-F168 HydrophobicContact CB-CB 3.68Å; E164-F168 HydrophobicContact CB-CD1 3.95Å; E164-F168 HydrophobicContact CB-CD2 4.21Å; E164-F168 HydrophobicContact CB-CG 3.69Å; E164-F168 HydrophobicContact CG-CB 4.2Å; E164-F168 HydrophobicContact CG-CD1 4.13Å; E164-F168 HydrophobicContact CG-CD2 3.77Å; E164-F168 HydrophobicContact CG-CE1 4.47Å; E164-F168 HydrophobicContact CG-CE2 4.13Å; E164-F168 HydrophobicContact CG-CG 3.77Å; E164-F168 HydrophobicContact CG-CZ 4.47Å; K165-F168 VanDerWaalsContact O-CB 3.28Å; K165-F168 WeakPolarHBondContact O-CB 3.4Å; K165-F168 PolarHBondContact O-N 3.33Å; E166-F168 PolarHBondContact O-N 3.22Å; E166-F168 VanDerWaalsContact O-N 3.13Å; F168-Q171 WeakPolarHBondContact O-CB 3.45Å; F168-Q171 PolarHBondContact O-N 2.93Å
169	F	84.5	Confident	82.3	Confident	128 Å²	128	103.8 Å²	103.8	56%	0.561	52%	0.523	S	S	*	.	H	α-helix	trans	-76.2	-24.4	-176.5	-61	-77.7	0	0	0	113.5	M160 E166 Q171	M160-F169 HydrophobicContact SD-CE1 3.7Å; M160-F169 HydrophobicContact SD-CZ 3.62Å; E166-F169 PolarHBondContact O-N 3.49Å; F169-Q171 VanDerWaalsContact C-N 3.33Å
170	H	87.3	Confident	82.3	Confident	134 Å²	134	107.7 Å²	107.7	62%	0.62	55%	0.55	S	S	*	*	T	Hydrogen-bonded Turn	trans	-90.5	3.4	175.4	-63.9	-67.5	0	0	0	113.1	E166 E172	E166-H170 PolarHBondContact O-CD2 2.93Å; E166-H170 PolarHBondContact O-N 3.42Å; E166-H170 IonicContact OE1-CD2 3.26Å; E166-H170 IonicContact OE1-NE2 2.66Å; E166-H170 PolarHBondContact OE1-NE2 3.22Å; H170-E172 PolarHBondContact O-N 2.92Å
171	Q	84.3	Confident	82.5	Confident	81 Å²	81	104 Å²	104	38%	0.379	53%	0.532	S	S	.	.			trans	-68.2	125.1	176.9	-176.3	177.3	-6.4	0	0	110.3	A167 F168 F169 L173	A167-Q171 PolarHBondContact O-N 2.92Å; F168-Q171 WeakPolarHBondContact O-CB 3.45Å; F168-Q171 PolarHBondContact O-N 2.93Å; F169-Q171 VanDerWaalsContact C-N 3.33Å; Q171-L173 HydrophobicContact CG-CD2 4.13Å; Q171-L173 HydrophobicContact CG-CG 4.05Å; Q171-L173 PolarHBondContact O-N 3.29Å
172	E	81.8	Confident	82.9	Confident	188 Å²	188	101.7 Å²	101.7	88%	0.879	52%	0.517	S	S	*	.			trans	-67	120.1	168.9	-68.2	-172.1	171.5	0	0	110.1	H170	H170-E172 PolarHBondContact O-N 2.92Å
173	L	80.1	Confident	82.9	Confident	59 Å²	59	94 Å²	94	31%	0.309	49%	0.493	S	S	.	.			trans	-130.3	141.9	178.2	-68.2	170.4	0	0	0	109.6	M154 K157 Q171	M154-L173 HydrophobicContact CE-CD2 3.75Å; K157-L173 HydrophobicContact CB-CD1 4.12Å; K157-L173 HydrophobicContact CB-CD2 3.8Å; K157-L173 HydrophobicContact CD-CD2 3.74Å; K157-L173 HydrophobicContact CG-CD2 4.34Å; K157-L173 VanDerWaalsContact O-CD1 3.3Å; K157-L173 WeakPolarHBondContact O-CD1 3.31Å; Q171-L173 HydrophobicContact CG-CD2 4.13Å; Q171-L173 HydrophobicContact CG-CG 4.05Å; Q171-L173 PolarHBondContact O-N 3.29Å
174	P	76.1	Confident	82.5	Confident	57 Å²	57	97.9 Å²	97.9	37%	0.37	49%	0.49	S	S	.	.			trans	-50.7	142	163	-23.7	32.3	0	0	0	110.3	M154 Y176	M154-P174 HydrophobicContact CE-CG 4.17Å; P174-Y176 PolarHBondContact O-N 3.46Å
175	L	71.3	Confident	81.9	Confident	169 Å²	169	98.6 Å²	98.6	89%	0.885	50%	0.496	S	S	*	.			trans	-61.1	100.3	178.8	-175.6	67.2	0	0	0	109.8
176	Y	74.9	Confident	81.2	Confident	18 Å²	18	92.5 Å²	92.5	7%	0.071	47%	0.472	C	S	.	.			trans	-126.1	69.6	-173.5	-160.2	-81.2	0	0	0	110.2	Y140 L141 A142 V158 P174	Y140-Y176 AromaticContact CD1-CE2 3.9Å; Y140-Y176 HydrophobicContact CD1-CE2 3.9Å; Y140-Y176 AromaticContact CD1-CZ 3.53Å; Y140-Y176 WeakPolarHBondContact CD1-OH 3.46Å; Y140-Y176 HydrophobicContact CE1-CD2 4.12Å; Y140-Y176 HydrophobicContact CE1-CE1 4.5Å; Y140-Y176 AromaticContact CE1-CE2 3.17Å; Y140-Y176 HydrophobicContact CE1-CE2 3.17Å; Y140-Y176 AromaticContact CE1-CZ 3.33Å; Y140-Y176 WeakPolarHBondContact CE1-OH 3.32Å; Y140-Y176 AromaticContact CZ-CE2 3.91Å; L141-Y176 PolarHBondContact O-OH 3.31Å; A142-Y176 WeakPolarHBondContact CA-OH 3.27Å; A142-Y176 HydrophobicContact CB-CD1 3.96Å; A142-Y176 HydrophobicContact CB-CE1 3.26Å; A142-Y176 HydrophobicContact CB-CE2 4.4Å; A142-Y176 PolarHBondContact N-OH 2.88Å; V158-Y176 HydrophobicContact CG2-CD1 4.34Å; P174-Y176 PolarHBondContact O-N 3.46Å
177	I	76.6	Confident	80.6	Confident	138 Å²	138	88.8 Å²	88.8	71%	0.708	47%	0.465	S	S	*	.			trans	-127.9	90.7	174.1	-56.6	178.5	0	0	0	106.9
178	P	80.7	Confident	80.1	Confident	20 Å²	20	89 Å²	89	13%	0.13	46%	0.46	C	S	.	.			trans	-65.8	144.8	177.6	27.5	-32.8	0	0	0	109.8	Y79 Y140 F182	Y79-P178 HydrophobicContact CD1-CG 3.67Å; Y79-P178 HydrophobicContact CE1-CG 3.99Å; Y79-P178 HydrophobicContact CG-CG 4.16Å; Y140-P178 HydrophobicContact CD1-CB 4.42Å; P178-F182 HydrophobicContact CB-CE2 4.17Å; P178-F182 HydrophobicContact CB-CZ 3.83Å
179	P	84.3	Confident	79.5	Confident	58 Å²	58	92.6 Å²	92.6	38%	0.377	49%	0.485	S	S	.	.			trans	-61.9	149.1	171.7	29.2	-35.9	0	0	0	110	H81 I181 F182	H81-P179 PolarHBondContact NE2-O 3.04Å; P179-I181 PolarHBondContact O-N 2.72Å; P179-I181 VanDerWaalsContact O-N 3.11Å; P179-F182 HydrophobicContact CG-CD1 3.7Å; P179-F182 HydrophobicContact CG-CD2 4.39Å; P179-F182 HydrophobicContact CG-CE1 3.66Å; P179-F182 HydrophobicContact CG-CE2 4.36Å; P179-F182 HydrophobicContact CG-CG 4.08Å; P179-F182 HydrophobicContact CG-CZ 4.01Å
180	P	81.8	Confident	79.2	Confident	117 Å²	117	91.7 Å²	91.7	76%	0.76	49%	0.486	S	S	*	.	S	Bend	trans	-64.8	-16.8	178.5	27.3	-35.6	0	0	0	113	H81	H81-P180 PolarHBondContact CD2-O 2.62Å; H81-P180 PolarHBondContact NE2-O 3.18Å
181	I	83.3	Confident	78.7	Confident	42 Å²	42	92.3 Å²	92.3	22%	0.215	48%	0.484	C	S	.	.			trans	-145.2	127.2	177.5	-60	160.3	0	0	0	107	D137 P179 S183 P359	D137-I181 WeakPolarHBondContact OD2-CA 3.42Å; P179-I181 PolarHBondContact O-N 2.72Å; P179-I181 VanDerWaalsContact O-N 3.11Å; I181-S183 WeakPolarHBondContact CG2-O 3.36Å; I181-P359 VanDerWaalsContact CD1-CD 3.4Å; I181-P359 HydrophobicContact CD1-CG 3.62Å; I181-P359 HydrophobicContact CG1-CG 4.15Å; I181-P359 HydrophobicContact CG2-CG 4.22Å
182	F	85	Confident	78.6	Confident	78 Å²	78	95.2 Å²	95.2	34%	0.342	50%	0.495	S	S	.	.	S	Bend	trans	-91.8	-48.6	173.2	-74.3	-86.5	0	0	0	111.1	H81 D137 F138 Y140 P178 P179	H81-F182 AromaticContact CE1-CD2 3.75Å; H81-F182 AromaticContact CE1-CE2 3.5Å; H81-F182 VanDerWaalsContact CE1-CE2 3.5Å; H81-F182 WeakPolarHBondContact CE1-CE2 3.4Å; H81-F182 AromaticContact NE2-CD2 3.63Å; H81-F182 AromaticContact NE2-CE2 3.76Å; D137-F182 WeakPolarHBondContact OD1-CB 3.28Å; D137-F182 PolarHBondContact OD2-N 2.98Å; F138-F182 HydrophobicContact CB-CB 3.74Å; F138-F182 HydrophobicContact CB-CD2 4.11Å; F138-F182 HydrophobicContact CB-CG 3.93Å; F138-F182 HydrophobicContact CD2-CB 3.67Å; F138-F182 HydrophobicContact CG-CB 4.12Å; F138-F182 WeakPolarHBondContact O-CD2 3.45Å; Y140-F182 HydrophobicContact CG-CZ 4.32Å; P178-F182 HydrophobicContact CB-CE2 4.17Å; P178-F182 HydrophobicContact CB-CZ 3.83Å; P179-F182 HydrophobicContact CG-CD1 3.7Å; P179-F182 HydrophobicContact CG-CD2 4.39Å; P179-F182 HydrophobicContact CG-CE1 3.66Å; P179-F182 HydrophobicContact CG-CE2 4.36Å; P179-F182 HydrophobicContact CG-CG 4.08Å; P179-F182 HydrophobicContact CG-CZ 4.01Å
183	S	82.9	Confident	78.4	Confident	31 Å²	31	96.1 Å²	96.1	22%	0.217	49%	0.492	C	S	.	.			trans	-99.1	123.6	177.9	-175.7	0	0	0	0	111	D137 I181 L185	D137-S183 WeakPolarHBondContact OD1-CA 3.21Å; D137-S183 WeakPolarHBondContact OD1-CB 3.38Å; D137-S183 PolarHBondContact OD1-N 3.21Å; I181-S183 WeakPolarHBondContact CG2-O 3.36Å; S183-L185 PolarHBondContact O-N 2.81Å; S183-L185 PolarHBondContact OG-N 2.85Å; S183-L185 VanDerWaalsContact OG-N 3.08Å; S183-L185 PolarHBondContact OG-O 3.21Å
184	R	77	Confident	78	Confident	217 Å²	217	101 Å²	101	82%	0.819	51%	0.506	S	S	*	.	S	Bend	trans	-80.8	-3	168.3	-60.6	-177.9	-173.5	155.1	2	112.7
185	L	75.3	Confident	77.7	Confident	107 Å²	107	103.8 Å²	103.8	56%	0.56	52%	0.524	S	S	*	.			trans	-106.6	118	-179.6	-59	177.1	0	0	0	109.1	S183 V189	S183-L185 PolarHBondContact O-N 2.81Å; S183-L185 PolarHBondContact OG-N 2.85Å; S183-L185 VanDerWaalsContact OG-N 3.08Å; S183-L185 PolarHBondContact OG-O 3.21Å; L185-V189 HydrophobicContact CD1-CG2 3.95Å
186	D	74.2	Confident	77.5	Confident	46 Å²	46	103.9 Å²	103.9	25%	0.246	52%	0.52	C	S	.	.			trans	-97.4	-16.8	178.3	-172.5	31	0	0	0	112.1	R68 G134 M135	R68-D186 IonicContact CZ-OD2 2.81Å; R68-D186 IonicContact NH1-OD2 3.73Å; R68-D186 PolarHBondContact NH1-OD2 3.44Å; R68-D186 IonicContact NH2-OD2 3.21Å; R68-D186 PolarHBondContact NH2-OD2 3.5Å; G134-D186 CarbonylContact C-O 3.53Å; G134-D186 WeakPolarHBondContact CA-O 3.27Å; G134-D186 VanDerWaalsContact CA-OD1 3.25Å; G134-D186 WeakPolarHBondContact CA-OD1 3.47Å; M135-D186 PolarHBondContact N-O 2.77Å
187	A	78.1	Confident	76.9	Confident	64 Å²	64	106.6 Å²	106.6	53%	0.529	54%	0.539	S	S	.	.	S	Bend	trans	-113.3	148.6	176.3	0	0	0	0	0	110.8
188	P	77	Confident	76.2	Confident	84 Å²	84	108.9 Å²	108.9	55%	0.545	55%	0.547	S	S	.	.			trans	-60.7	142.1	170	27.5	-33.8	0	0	0	109.8	M135	M135-P188 HydrophobicContact CE-CB 4.45Å; M135-P188 HydrophobicContact SD-CB 4.19Å
189	V	73.3	Confident	75.4	Confident	109 Å²	109	110.2 Å²	110.2	66%	0.661	55%	0.551	S	S	*	*			trans	-79.4	132.2	172.9	-179.1	0	0	0	0	108.1	L185 Y191	L185-V189 HydrophobicContact CD1-CG2 3.95Å; V189-Y191 PolarHBondContact O-N 2.93Å
190	D	77.3	Confident	74.3	Confident	109 Å²	109	118.3 Å²	118.3	58%	0.583	57%	0.574	S	S	*	*			trans	-65.4	98.2	174.5	-64.8	-38.5	0	0	0	110.3	F192	D190-F192 VanDerWaalsContact C-N 3.28Å; D190-F192 HydrophobicContact CB-CD1 4.43Å; D190-F192 HydrophobicContact CB-CD2 3.66Å; D190-F192 HydrophobicContact CB-CE1 4Å; D190-F192 HydrophobicContact CB-CE2 3.18Å; D190-F192 HydrophobicContact CB-CG 4.27Å; D190-F192 HydrophobicContact CB-CZ 3.37Å; D190-F192 VanDerWaalsContact O-CD2 3.3Å; D190-F192 WeakPolarHBondContact O-CD2 3.21Å; D190-F192 PolarHBondContact O-N 3.02Å
191	Y	76.8	Confident	73	Confident	147 Å²	147	122.5 Å²	122.5	58%	0.576	58%	0.583	S	S	*	*			trans	-66.9	-30.9	-178	178.4	-117.7	0	0	0	112.1	V189 Y193 R194	V189-Y191 PolarHBondContact O-N 2.93Å; Y191-Y193 HydrophobicContact CD1-CD1 4.32Å; Y191-Y193 HydrophobicContact CD1-CG 4.44Å; Y191-Y193 HydrophobicContact CE1-CD1 4.03Å; Y191-Y193 HydrophobicContact CE1-CG 4.41Å; Y191-Y193 PolarHBondContact O-N 3.33Å; Y191-R194 WeakPolarHBondContact O-CG 3.3Å; Y191-R194 PolarHBondContact O-N 3.05Å
192	F	81.9	Confident	71.9	Confident	142 Å²	142	124.1 Å²	124.1	62%	0.623	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	46.5	22.5	-178.2	-62.6	-61.6	0	0	0	115.4	D190 R194	D190-F192 VanDerWaalsContact C-N 3.28Å; D190-F192 HydrophobicContact CB-CD1 4.43Å; D190-F192 HydrophobicContact CB-CD2 3.66Å; D190-F192 HydrophobicContact CB-CE1 4Å; D190-F192 HydrophobicContact CB-CE2 3.18Å; D190-F192 HydrophobicContact CB-CG 4.27Å; D190-F192 HydrophobicContact CB-CZ 3.37Å; D190-F192 VanDerWaalsContact O-CD2 3.3Å; D190-F192 WeakPolarHBondContact O-CD2 3.21Å; D190-F192 PolarHBondContact O-N 3.02Å; F192-R194 HydrophobicContact CB-CG 4.29Å; F192-R194 PolarHBondContact O-N 3.21Å; F192-R194 VanDerWaalsContact O-N 3.14Å
193	Y	78.7	Confident	70.7	Confident	207 Å²	207	123.9 Å²	123.9	81%	0.812	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	48.3	37.9	-171.6	-61.1	-86	0	0	0	112.6	Y191	Y191-Y193 HydrophobicContact CD1-CD1 4.32Å; Y191-Y193 HydrophobicContact CD1-CG 4.44Å; Y191-Y193 HydrophobicContact CE1-CD1 4.03Å; Y191-Y193 HydrophobicContact CE1-CG 4.41Å; Y191-Y193 PolarHBondContact O-N 3.33Å
194	R	71.4	Confident	69.6	Low	161 Å²	161	129 Å²	129	61%	0.608	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-57.2	133.7	179.4	-74.1	178.9	-173.8	-171.6	4	108.9	Y191 F192 E196	Y191-R194 WeakPolarHBondContact O-CG 3.3Å; Y191-R194 PolarHBondContact O-N 3.05Å; F192-R194 HydrophobicContact CB-CG 4.29Å; F192-R194 PolarHBondContact O-N 3.21Å; F192-R194 VanDerWaalsContact O-N 3.14Å; R194-E196 PolarHBondContact O-N 3.21Å
195	P	70.6	Confident	68.8	Low	115 Å²	115	123.2 Å²	123.2	75%	0.747	62%	0.618	S	S	*	*	P	Polyproline II helix	trans	-52.4	141.8	175.1	-23.6	31.8	0	0	0	110.3
196	E	66.1	Low	68.2	Low	171 Å²	171	121.4 Å²	121.4	80%	0.799	61%	0.613	S	S	*	*	P	Polyproline II helix	trans	-54.7	144.9	170.3	-72.8	-176.6	172.4	0	0	109.8	R194 Q198	R194-E196 PolarHBondContact O-N 3.21Å; E196-Q198 PolarHBondContact O-N 2.81Å
197	T	62.1	Low	67.5	Low	76 Å²	76	124.9 Å²	124.9	47%	0.466	64%	0.638	S	S	.	*			trans	-65.7	105.6	-178.6	-57.6	0	0	0	0	108.7	H199 R218	T197-H199 PolarHBondContact O-N 2.88Å; T197-R218 HydrophobicContact CG2-CG 4.36Å
198	Q	61.9	Low	66.6	Low	185 Å²	185	127.8 Å²	127.8	86%	0.864	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-69.1	122.5	174.3	-66.6	-175.8	0.3	0	0	109.3	E196	E196-Q198 PolarHBondContact O-N 2.81Å
199	H	63.4	Low	65.7	Low	49 Å²	49	126 Å²	126	23%	0.227	63%	0.633	C	S	.	*	P	Polyproline II helix	trans	-90.1	166.5	173.8	-61.9	-42.2	0	0	0	110.7	T197 Y203 A219	T197-H199 PolarHBondContact O-N 2.88Å; H199-Y203 HydrophobicContact CB-CD1 3.5Å; H199-Y203 HydrophobicContact CB-CE1 4.4Å; H199-Y203 HydrophobicContact CB-CG 3.96Å; H199-Y203 AromaticContact CD2-CD1 3.3Å; H199-Y203 WeakPolarHBondContact CD2-CD1 3.17Å; H199-Y203 AromaticContact CD2-CE1 3.41Å; H199-Y203 VanDerWaalsContact CD2-CE1 3.41Å; H199-Y203 WeakPolarHBondContact CD2-CE1 3.38Å; H199-Y203 AromaticContact CG-CD1 3.48Å; H199-Y203 VanDerWaalsContact CG-CD1 3.48Å; H199-Y203 AromaticContact CG-CE1 3.9Å; H199-Y203 AromaticContact NE2-CE1 3.98Å; H199-A219 HydrophobicContact CB-CB 4.47Å; H199-A219 PolarHBondContact CE1-N 3.03Å; H199-A219 VanDerWaalsContact CE1-N 3.32Å
200	R	62.5	Low	64.9	Low	228 Å²	228	124.3 Å²	124.3	86%	0.86	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-57.8	147.4	175	-80.9	-177.5	172.7	168.5	-2.5	110.3	G202 Y203	R200-G202 PolarHBondContact O-N 3.36Å; R200-Y203 WeakPolarHBondContact O-CB 3.36Å; R200-Y203 PolarHBondContact O-N 3.13Å
201	E	54.6	Low	63.8	Low	204 Å²	204	127.6 Å²	127.6	95%	0.953	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	-48.4	128.4	173.9	-71	-176.9	157.6	0	0	111
202	G	59.3	Low	62.6	Low	76 Å²	76	125.8 Å²	125.8	78%	0.784	65%	0.649	S	S	*	*	T	Hydrogen-bonded Turn	trans	93.6	-7.1	-177.7	0	0	0	0	0	115.9	R200 N204	R200-G202 PolarHBondContact O-N 3.36Å; G202-N204 PolarHBondContact O-N 2.81Å
203	Y	60.3	Low	61.3	Low	73 Å²	73	125.3 Å²	125.3	29%	0.286	65%	0.652	S	S	.	*			trans	-84.7	111	172	-175	-92.9	0	0	0	110.9	H199 R200 N205 A219	H199-Y203 HydrophobicContact CB-CD1 3.5Å; H199-Y203 HydrophobicContact CB-CE1 4.4Å; H199-Y203 HydrophobicContact CB-CG 3.96Å; H199-Y203 AromaticContact CD2-CD1 3.3Å; H199-Y203 WeakPolarHBondContact CD2-CD1 3.17Å; H199-Y203 AromaticContact CD2-CE1 3.41Å; H199-Y203 VanDerWaalsContact CD2-CE1 3.41Å; H199-Y203 WeakPolarHBondContact CD2-CE1 3.38Å; H199-Y203 AromaticContact CG-CD1 3.48Å; H199-Y203 VanDerWaalsContact CG-CD1 3.48Å; H199-Y203 AromaticContact CG-CE1 3.9Å; H199-Y203 AromaticContact NE2-CE1 3.98Å; R200-Y203 WeakPolarHBondContact O-CB 3.36Å; R200-Y203 PolarHBondContact O-N 3.13Å; Y203-N205 WeakPolarHBondContact CE1-OD1 3.3Å; Y203-A219 HydrophobicContact CD1-CB 3.79Å; Y203-A219 HydrophobicContact CD2-CB 3.63Å; Y203-A219 HydrophobicContact CE1-CB 3.58Å; Y203-A219 HydrophobicContact CE2-CB 3.45Å; Y203-A219 VanDerWaalsContact CE2-CB 3.45Å; Y203-A219 HydrophobicContact CG-CB 3.8Å; Y203-A219 VanDerWaalsContact CZ-CB 3.44Å; Y203-A219 WeakPolarHBondContact OH-CA 3.23Å
204	N	60.8	Low	60.1	Low	138 Å²	138	123.1 Å²	123.1	74%	0.738	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-95	130	169.7	-64.8	-50.3	0	0	0	108.9	G202	G202-N204 PolarHBondContact O-N 2.81Å
205	N	59	Low	59.2	Low	97 Å²	97	117.7 Å²	117.7	52%	0.519	65%	0.647	S	S	.	*	P	Polyproline II helix	trans	-57	135.9	169.8	-77.8	-36	0	0	0	109	Y203	Y203-N205 WeakPolarHBondContact CE1-OD1 3.3Å
206	P	62	Low	58.5	Low	69 Å²	69	116 Å²	116	45%	0.448	63%	0.631	S	S	.	*	P	Polyproline II helix	trans	-55.4	140	173.8	22.3	-30.8	0	0	0	108.8	I208	P206-I208 PolarHBondContact O-N 3.14Å
207	P	60.6	Low	58	Low	119 Å²	119	112 Å²	112	77%	0.773	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-56.4	131.2	177.3	23.6	-31.8	0	0	0	108.4	S209	P207-S209 PolarHBondContact O-N 2.99Å
208	I	59.5	Low	57.8	Low	125 Å²	125	117.4 Å²	117.4	64%	0.641	63%	0.634	S	S	*	*			trans	-60.1	105.6	176.5	-57.7	172.7	0	0	0	106.5	P206	P206-I208 PolarHBondContact O-N 3.14Å
209	S	57.7	Low	57.6	Low	47 Å²	47	109.9 Å²	109.9	33%	0.329	60%	0.604	S	S	.	*			trans	-85.4	158	172.7	72	0	0	0	0	109.1	P207 E211 N212 L213	P207-S209 PolarHBondContact O-N 2.99Å; S209-E211 PolarHBondContact O-N 3.14Å; S209-E211 PolarHBondContact OG-N 2.86Å; S209-N212 CarbonylContact O-C 3.54Å; S209-N212 PolarHBondContact O-N 3.39Å; S209-N212 PolarHBondContact OG-N 3.41Å; S209-L213 PolarHBondContact O-N 2.98Å
210	G	56.6	Low	57.5	Low	72 Å²	72	114 Å²	114	74%	0.742	62%	0.617	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.5	-21.4	172.8	0	0	0	0	0	113.6	L213	G210-L213 WeakPolarHBondContact O-CD1 3.12Å
211	E	53.3	Low	57.8	Low	178 Å²	178	112.5 Å²	112.5	83%	0.832	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.6	-23.7	178.2	-63	178.6	166.4	0	0	113.3	S209	S209-E211 PolarHBondContact O-N 3.14Å; S209-E211 PolarHBondContact OG-N 2.86Å
212	N	51.7	Low	58.3	Low	109 Å²	109	106.8 Å²	106.8	58%	0.583	59%	0.592	S	S	*	*			trans	-130.7	62.4	-178.9	-71.8	-54.1	0	0	0	110.9	S209 I214	S209-N212 CarbonylContact O-C 3.54Å; S209-N212 PolarHBondContact O-N 3.39Å; S209-N212 PolarHBondContact OG-N 3.41Å; N212-I214 PolarHBondContact O-N 3.25Å
213	L	54.5	Low	59.1	Low	132 Å²	132	105.2 Å²	105.2	69%	0.691	57%	0.565	S	S	*	*			trans	-57.7	-31.8	178.2	-108.3	90.1	0	0	0	113	S209 G210 G215	S209-L213 PolarHBondContact O-N 2.98Å; G210-L213 WeakPolarHBondContact O-CD1 3.12Å; L213-G215 PolarHBondContact O-N 3.45Å
214	I	54.8	Low	60.3	Low	162 Å²	162	103.5 Å²	103.5	83%	0.831	56%	0.56	S	S	*	*	S	Bend	trans	-93	91.2	177.3	-53.1	174.7	0	0	0	106.8	N212	N212-I214 PolarHBondContact O-N 3.25Å
215	G	52.5	Low	61.7	Low	46 Å²	46	97.5 Å²	97.5	47%	0.474	53%	0.53	S	S	.	.			trans	-57.9	160	176.8	0	0	0	0	0	112.9	L213 S217	L213-G215 PolarHBondContact O-N 3.45Å; G215-S217 PolarHBondContact O-N 3.17Å
216	L	56	Low	63.3	Low	80 Å²	80	94.5 Å²	94.5	42%	0.419	51%	0.513	S	S	.	.			trans	-72.7	118.4	175.4	-72.4	152.6	0	0	0	109.8	R218 R220	L216-R218 PolarHBondContact O-N 2.88Å; L216-R220 HydrophobicContact CD1-CG 4.22Å
217	S	54.4	Low	64.9	Low	87 Å²	87	93.9 Å²	93.9	61%	0.608	50%	0.504	S	S	*	.	S	Bend	trans	-64.7	-17.8	176.1	159.1	0	0	0	0	113.7	G215	G215-S217 PolarHBondContact O-N 3.17Å
218	R	57.6	Low	66.5	Low	189 Å²	189	88.4 Å²	88.4	71%	0.713	47%	0.468	S	S	*	.	S	Bend	trans	-132.1	139.4	178.6	-105.9	-176.5	-81.4	-157.8	-3.1	111.4	T197 L216 R220	T197-R218 HydrophobicContact CG2-CG 4.36Å; L216-R218 PolarHBondContact O-N 2.88Å; R218-R220 PolarHBondContact O-N 3.17Å
219	A	58.6	Low	68.2	Low	28 Å²	28	85.2 Å²	85.2	23%	0.231	45%	0.452	C	S	.	.			trans	-52.8	125	167.7	0	0	0	0	0	111.1	H199 Y203 R221	H199-A219 HydrophobicContact CB-CB 4.47Å; H199-A219 PolarHBondContact CE1-N 3.03Å; H199-A219 VanDerWaalsContact CE1-N 3.32Å; Y203-A219 HydrophobicContact CD1-CB 3.79Å; Y203-A219 HydrophobicContact CD2-CB 3.63Å; Y203-A219 HydrophobicContact CE1-CB 3.58Å; Y203-A219 HydrophobicContact CE2-CB 3.45Å; Y203-A219 VanDerWaalsContact CE2-CB 3.45Å; Y203-A219 HydrophobicContact CG-CB 3.8Å; Y203-A219 VanDerWaalsContact CZ-CB 3.44Å; Y203-A219 WeakPolarHBondContact OH-CA 3.23Å; A219-R221 PolarHBondContact O-N 3.46Å
220	R	62.3	Low	69.9	Low	134 Å²	134	84 Å²	84	51%	0.506	44%	0.441	S	S	.	.			trans	-59.8	136.4	171.6	-76.8	-173.7	177.7	-146.3	10	109	L216 R218 P222 V528	L216-R220 HydrophobicContact CD1-CG 4.22Å; R218-R220 PolarHBondContact O-N 3.17Å; R220-P222 VanDerWaalsContact O-CD 3.25Å; R220-P222 WeakPolarHBondContact O-CD 3.43Å; R220-V528 WeakPolarHBondContact CD-O 3.49Å; R220-V528 PolarHBondContact NH1-O 3.19Å
221	R	66.9	Low	71.7	Confident	197 Å²	197	86.9 Å²	86.9	74%	0.743	44%	0.435	S	S	*	.			trans	-104.3	92.1	172.9	-64.7	-179	-176.3	-174.1	1.2	106.4	A219 H223	A219-R221 PolarHBondContact O-N 3.46Å; R221-H223 PolarHBondContact O-CD2 3.02Å; R221-H223 PolarHBondContact O-N 3.25Å
222	P	66.6	Low	73.6	Confident	84 Å²	84	81.2 Å²	81.2	55%	0.545	41%	0.411	S	S	.	.			trans	-66.9	110.1	-177.7	27.4	-33.2	0	0	0	108.3	R220 N224	R220-P222 VanDerWaalsContact O-CD 3.25Å; R220-P222 WeakPolarHBondContact O-CD 3.43Å; P222-N224 PolarHBondContact O-N 3.47Å; P222-N224 PolarHBondContact O-ND2 3.43Å
223	H	75.1	Confident	75.4	Confident	44 Å²	44	84.3 Å²	84.3	20%	0.204	42%	0.422	C	S	.	.			trans	-78	-0.2	172.4	-71.9	-82.9	0	0	0	111.9	R221 A225 P294 D526 Y527	R221-H223 PolarHBondContact O-CD2 3.02Å; R221-H223 PolarHBondContact O-N 3.25Å; H223-A225 VanDerWaalsContact C-N 3.26Å; H223-A225 PolarHBondContact O-N 3.08Å; H223-P294 WeakPolarHBondContact O-CB 3.43Å; H223-P294 WeakPolarHBondContact O-CG 3.16Å; H223-D526 PolarHBondContact CD2-O 2.89Å; H223-Y527 HydrophobicContact CB-CD1 3.76Å; H223-Y527 HydrophobicContact CB-CG 4.5Å
224	N	85.6	Confident	77.2	Confident	36 Å²	36	85.1 Å²	85.1	19%	0.193	42%	0.422	C	S	.	.			trans	58.2	34.3	171.4	-55.5	-51.5	0	0	0	113.3	P222 L240 A242 A243	P222-N224 PolarHBondContact O-N 3.47Å; P222-N224 PolarHBondContact O-ND2 3.43Å; N224-L240 HydrophobicContact CB-CD1 4.16Å; N224-A242 HydrophobicContact CB-CB 4.45Å; N224-A243 HydrophobicContact CB-CB 3.82Å
225	A	90.9	Very high	79.1	Confident	12 Å²	12	78.4 Å²	78.4	10%	0.099	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-68.9	141.9	170.4	0	0	0	0	0	110.2	H223 F227 P294 W309 Y527	H223-A225 VanDerWaalsContact C-N 3.26Å; H223-A225 PolarHBondContact O-N 3.08Å; A225-F227 HydrophobicContact CB-CE2 4.2Å; A225-F227 HydrophobicContact CB-CZ 4.1Å; A225-P294 HydrophobicContact CB-CB 4.28Å; A225-P294 HydrophobicContact CB-CG 4.03Å; A225-W309 HydrophobicContact CB-CH2 4.05Å; A225-Y527 HydrophobicContact CB-CD1 4.17Å; A225-Y527 HydrophobicContact CB-CG 4.11Å
226	I	93.2	Very high	81.2	Confident	34 Å²	34	77.4 Å²	77.4	17%	0.174	37%	0.374	C	S	.	.	P	Polyproline II helix	trans	-93.7	122.9	170	-55.7	173.1	0	0	0	107.7	V228 P236 L240 Y299 F312	I226-V228 HydrophobicContact CG2-CG2 4.36Å; I226-P236 HydrophobicContact CB-CG 4.21Å; I226-P236 HydrophobicContact CD1-CB 3.92Å; I226-P236 HydrophobicContact CD1-CG 4.25Å; I226-P236 HydrophobicContact CG2-CB 4.29Å; I226-P236 HydrophobicContact CG2-CG 3.45Å; I226-P236 VanDerWaalsContact CG2-CG 3.45Å; I226-L240 HydrophobicContact CD1-CD2 4.16Å; I226-L240 HydrophobicContact CD1-CG 3.94Å; I226-L240 HydrophobicContact CG1-CD1 4.13Å; I226-L240 HydrophobicContact CG1-CD2 4.25Å; I226-L240 HydrophobicContact CG1-CG 3.74Å; I226-Y299 PolarHBondContact O-N 2.92Å; I226-F312 HydrophobicContact CD1-CE1 4.02Å; I226-F312 HydrophobicContact CD1-CZ 4.44Å
227	F	93.9	Very high	83.1	Confident	57 Å²	57	81.2 Å²	81.2	25%	0.25	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	135.6	177.3	-61	-78.9	0	0	0	110.5	A225 Y299 I301 I524 V528	A225-F227 HydrophobicContact CB-CE2 4.2Å; A225-F227 HydrophobicContact CB-CZ 4.1Å; F227-Y299 CarbonylContact C-O 3.52Å; F227-Y299 WeakPolarHBondContact CA-O 3.33Å; F227-Y299 AromaticContact CD1-CD1 3.75Å; F227-Y299 HydrophobicContact CD1-CD1 3.75Å; F227-Y299 HydrophobicContact CD1-CG 4.25Å; F227-Y299 AromaticContact CE1-CD1 3.92Å; F227-Y299 HydrophobicContact CE1-CD1 3.92Å; F227-Y299 HydrophobicContact CE1-CG 4.34Å; F227-I301 HydrophobicContact CB-CD1 3.49Å; F227-I301 VanDerWaalsContact CB-CD1 3.49Å; F227-I301 HydrophobicContact CB-CG1 3.88Å; F227-I301 HydrophobicContact CD1-CD1 4.33Å; F227-I301 HydrophobicContact CD1-CG1 4.1Å; F227-I301 HydrophobicContact CG-CD1 4.16Å; F227-I301 HydrophobicContact CG-CG1 4.39Å; F227-I524 HydrophobicContact CE1-CG1 4.11Å; F227-I524 HydrophobicContact CE1-CG2 4.3Å; F227-I524 HydrophobicContact CZ-CG2 4.29Å; F227-V528 HydrophobicContact CE2-CG2 3.63Å; F227-V528 HydrophobicContact CZ-CG2 3.63Å
228	V	94.9	Very high	85	Confident	4 Å²	4	84.3 Å²	84.3	2%	0.024	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128	136.2	-176.3	-179.3	0	0	0	0	109.3	I226 D232 P236 Y298 Y299 M300 I301	I226-V228 HydrophobicContact CG2-CG2 4.36Å; V228-D232 WeakPolarHBondContact CA-OD2 3.25Å; V228-D232 HydrophobicContact CG1-CB 4.06Å; V228-P236 HydrophobicContact CG2-CG 3.83Å; V228-Y298 HydrophobicContact CB-CD2 3.96Å; V228-Y298 HydrophobicContact CB-CE2 4.14Å; V228-Y298 HydrophobicContact CG1-CE2 4.46Å; V228-Y298 HydrophobicContact CG2-CD2 3.49Å; V228-Y298 VanDerWaalsContact CG2-CD2 3.49Å; V228-Y298 HydrophobicContact CG2-CE2 3.97Å; V228-Y298 HydrophobicContact CG2-CG 4.24Å; V228-Y299 PolarHBondContact N-O 2.89Å; V228-M300 HydrophobicContact CB-SD 4.08Å; V228-M300 HydrophobicContact CG1-SD 3.95Å; V228-M300 CarbonylContact O-C 3.58Å; V228-M300 WeakPolarHBondContact O-CA 3.2Å; V228-I301 PolarHBondContact O-N 3.14Å
229	N	94.9	Very high	86.8	Confident	58 Å²	58	77 Å²	77	31%	0.31	37%	0.369	S	S	.	.			trans	-94.9	158.3	171.3	-61	-71.4	0	0	0	110.6	E231 D232	N229-E231 PolarHBondContact O-N 3.16Å; N229-D232 PolarHBondContact N-OD2 2.84Å; N229-D232 WeakPolarHBondContact O-CB 3.36Å; N229-D232 PolarHBondContact O-N 3.4Å; N229-D232 VanDerWaalsContact O-N 3.16Å
230	F	93.6	Very high	88.4	Confident	20 Å²	20	79.5 Å²	79.5	9%	0.088	38%	0.378	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-31.7	178.9	-176.3	-88.8	0	0	0	113.4	M300 T302 P304 W305 R317 E443	F230-M300 HydrophobicContact CB-CE 4.26Å; F230-M300 HydrophobicContact CD2-CE 4.26Å; F230-T302 WeakPolarHBondContact CB-OG1 3.41Å; F230-T302 PolarHBondContact N-OG1 3.16Å; F230-P304 VanDerWaalsContact CD2-CD 3.46Å; F230-P304 HydrophobicContact CE2-CG 4.15Å; F230-W305 HydrophobicContact CE2-CZ3 4.16Å; F230-R317 HydrophobicContact CD2-CG 4.12Å; F230-R317 HydrophobicContact CE2-CG 3.8Å; F230-R317 HydrophobicContact CZ-CG 4.38Å; F230-R317 WeakPolarHBondContact O-CD 3.26Å; F230-R317 PolarHBondContact O-NH1 3.33Å; F230-E443 HydrophobicContact CB-CG 3.95Å; F230-E443 HydrophobicContact CD1-CB 3.56Å; F230-E443 HydrophobicContact CD1-CG 3.8Å; F230-E443 HydrophobicContact CE1-CB 3.78Å; F230-E443 HydrophobicContact CE1-CG 4.48Å; F230-E443 HydrophobicContact CG-CB 4.04Å; F230-E443 HydrophobicContact CG-CG 3.84Å; F230-E443 HydrophobicContact CZ-CB 4.4Å
231	E	94.1	Very high	89.9	Confident	133 Å²	133	78 Å²	78	62%	0.621	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-8.2	-178.5	-59	-59.1	143.2	0	0	113.9	N229 E233	N229-E231 PolarHBondContact O-N 3.16Å; E231-E233 PolarHBondContact O-N 3.11Å
232	D	93	Very high	90.9	Very high	60 Å²	60	70.7 Å²	70.7	32%	0.321	36%	0.358	S	S	.	.			trans	-70	127.4	-175.8	-66	-15.6	0	0	0	111.5	V228 N229 E234 R317	V228-D232 WeakPolarHBondContact CA-OD2 3.25Å; V228-D232 HydrophobicContact CG1-CB 4.06Å; N229-D232 PolarHBondContact N-OD2 2.84Å; N229-D232 WeakPolarHBondContact O-CB 3.36Å; N229-D232 PolarHBondContact O-N 3.4Å; N229-D232 VanDerWaalsContact O-N 3.16Å; D232-E234 VanDerWaalsContact C-N 3.31Å; D232-E234 PolarHBondContact O-N 2.94Å; D232-R317 PolarHBondContact O-NH1 3.24Å; D232-R317 PolarHBondContact O-NH2 3.02Å
233	E	89.8	Confident	92	Very high	174 Å²	174	66.8 Å²	66.8	81%	0.813	33%	0.333	S	S	*	.	S	Bend	trans	-61.9	-33.6	-171	-63.1	-174.4	170.7	0	0	114.9	E231	E231-E233 PolarHBondContact O-N 3.11Å
234	E	93	Very high	92.8	Very high	149 Å²	149	64.9 Å²	64.9	70%	0.696	33%	0.325	S	S	*	.			trans	-123.8	150.8	-175	-62.3	-157.6	139.6	0	0	112.6	D232	D232-E234 VanDerWaalsContact C-N 3.31Å; D232-E234 PolarHBondContact O-N 2.94Å
235	V	94.5	Very high	93	Very high	20 Å²	20	67.8 Å²	67.8	12%	0.121	34%	0.337	C	S	.	.			trans	-104.2	145	173	-59.7	0	0	0	0	111	K237 Y298 D315	V235-K237 PolarHBondContact O-N 2.97Å; V235-Y298 HydrophobicContact CB-CE1 4.22Å; V235-Y298 HydrophobicContact CG1-CE2 4.45Å; V235-Y298 WeakPolarHBondContact CG1-OH 3.39Å; V235-D315 HydrophobicContact CG1-CB 3.9Å; V235-D315 HydrophobicContact CG2-CB 3.82Å
236	P	95.9	Very high	92.9	Very high	26 Å²	26	69.2 Å²	69.2	17%	0.169	35%	0.345	C	S	.	.			trans	-61.1	136.7	177.6	-21.1	31.8	0	0	0	111.9	I226 V228 Y298 F312 G313	I226-P236 HydrophobicContact CB-CG 4.21Å; I226-P236 HydrophobicContact CD1-CB 3.92Å; I226-P236 HydrophobicContact CD1-CG 4.25Å; I226-P236 HydrophobicContact CG2-CB 4.29Å; I226-P236 HydrophobicContact CG2-CG 3.45Å; I226-P236 VanDerWaalsContact CG2-CG 3.45Å; V228-P236 HydrophobicContact CG2-CG 3.83Å; P236-Y298 HydrophobicContact CG-CG 4.24Å; P236-F312 HydrophobicContact CB-CD1 3.85Å; P236-F312 HydrophobicContact CB-CE1 3.87Å; P236-G313 PolarHBondContact O-N 2.81Å
237	K	96	Very high	92.8	Very high	159 Å²	159	67.8 Å²	67.8	69%	0.691	34%	0.337	S	S	*	.	S	Bend	trans	-97.7	-16.8	178.1	-64.2	177.2	-175.4	167.6	0	113.2	V235 F312	V235-K237 PolarHBondContact O-N 2.97Å; K237-F312 WeakPolarHBondContact O-CB 3.48Å
238	Q	95.2	Very high	92.6	Very high	153 Å²	153	72.2 Å²	72.2	72%	0.715	35%	0.352	S	S	*	.	S	Bend	trans	-148.9	155.5	-177.1	-67.8	-173.2	3.1	0	0	110.2
239	P	94.9	Very high	92.3	Very high	35 Å²	35	80.9 Å²	80.9	23%	0.227	38%	0.384	C	S	.	.			trans	-66.9	161.7	172.9	29.5	-36.7	0	0	0	111.8	A243 F295 F312	P239-A243 HydrophobicContact CB-CB 4.49Å; P239-F295 HydrophobicContact CB-CD2 4.29Å; P239-F295 HydrophobicContact CG-CD2 3.91Å; P239-F295 HydrophobicContact CG-CE2 4.2Å; P239-F295 WeakPolarHBondContact CG-O 3.39Å; P239-F312 VanDerWaalsContact CA-CZ 3.46Å; P239-F312 HydrophobicContact CB-CE2 3.64Å; P239-F312 HydrophobicContact CB-CZ 3.84Å; P239-F312 HydrophobicContact CG-CE2 4.17Å
240	L	93.1	Very high	91.9	Very high	80 Å²	80	80.4 Å²	80.4	42%	0.419	38%	0.384	S	S	.	.			trans	-61.5	140.4	167.3	-65.5	176.4	0	0	0	110.1	N224 I226 A242 A243 A244	N224-L240 HydrophobicContact CB-CD1 4.16Å; I226-L240 HydrophobicContact CD1-CD2 4.16Å; I226-L240 HydrophobicContact CD1-CG 3.94Å; I226-L240 HydrophobicContact CG1-CD1 4.13Å; I226-L240 HydrophobicContact CG1-CD2 4.25Å; I226-L240 HydrophobicContact CG1-CG 3.74Å; L240-A242 PolarHBondContact O-N 2.9Å; L240-A243 HydrophobicContact CB-CB 4.39Å; L240-A243 WeakPolarHBondContact O-CA 3.31Å; L240-A243 VanDerWaalsContact O-CB 3.31Å; L240-A243 WeakPolarHBondContact O-CB 3.25Å; L240-A243 PolarHBondContact O-N 2.9Å; L240-A244 PolarHBondContact O-N 3.31Å; L240-A244 VanDerWaalsContact O-N 3.07Å
241	E	91.8	Very high	91.6	Very high	104 Å²	104	80.3 Å²	80.3	49%	0.486	39%	0.385	S	S	.	.	H	α-helix	trans	-58.8	-33.7	178.5	-176.8	57.4	-148.2	0	0	111.4	A243 A244 Q245 R248	E241-A243 VanDerWaalsContact C-N 3.34Å; E241-A243 PolarHBondContact O-N 2.83Å; E241-A244 PolarHBondContact O-N 2.86Å; E241-Q245 HydrophobicContact CG-CG 4.41Å; E241-Q245 WeakPolarHBondContact O-CG 3.38Å; E241-Q245 PolarHBondContact O-N 3.15Å; E241-Q245 PolarHBondContact OE1-NE2 3.48Å; E241-R248 IonicContact OE1-CZ 2.68Å; E241-R248 IonicContact OE1-NH1 2.61Å; E241-R248 PolarHBondContact OE1-NH1 2.9Å; E241-R248 IonicContact OE1-NH2 2.78Å; E241-R248 PolarHBondContact OE1-NH2 2.85Å; E241-R248 IonicContact OE2-NH2 2.86Å
242	A	89.4	Confident	91.2	Very high	43 Å²	43	78.4 Å²	78.4	36%	0.355	38%	0.383	S	S	.	.	H	α-helix	trans	-62.3	-37.7	173.3	0	0	0	0	0	112.9	N224 L240 T246	N224-A242 HydrophobicContact CB-CB 4.45Å; L240-A242 PolarHBondContact O-N 2.9Å; A242-T246 WeakPolarHBondContact O-CB 3.49Å; A242-T246 PolarHBondContact O-N 2.9Å; A242-T246 PolarHBondContact O-OG1 3.47Å
243	A	89.5	Confident	91	Very high	1 Å²	1	79.5 Å²	79.5	1%	0.008	39%	0.388	C	S	.	.	H	α-helix	trans	-66.4	-44	174.1	0	0	0	0	0	110.9	N224 P239 L240 E241 T246 W247 P294	N224-A243 HydrophobicContact CB-CB 3.82Å; P239-A243 HydrophobicContact CB-CB 4.49Å; L240-A243 HydrophobicContact CB-CB 4.39Å; L240-A243 WeakPolarHBondContact O-CA 3.31Å; L240-A243 VanDerWaalsContact O-CB 3.31Å; L240-A243 WeakPolarHBondContact O-CB 3.25Å; L240-A243 PolarHBondContact O-N 2.9Å; E241-A243 VanDerWaalsContact C-N 3.34Å; E241-A243 PolarHBondContact O-N 2.83Å; A243-T246 PolarHBondContact O-N 3.38Å; A243-W247 PolarHBondContact O-N 3.1Å; A243-P294 HydrophobicContact CB-CB 4.35Å
244	A	91.3	Very high	90.9	Very high	4 Å²	4	76.3 Å²	76.3	3%	0.033	38%	0.383	C	S	.	.	H	α-helix	trans	-61.6	-46.4	177.3	0	0	0	0	0	112.4	L240 E241 T246 W247 R248 F295	L240-A244 PolarHBondContact O-N 3.31Å; L240-A244 VanDerWaalsContact O-N 3.07Å; E241-A244 PolarHBondContact O-N 2.86Å; A244-T246 VanDerWaalsContact C-N 3.33Å; A244-T246 PolarHBondContact O-N 2.91Å; A244-W247 PolarHBondContact O-N 3.45Å; A244-R248 VanDerWaalsContact O-CG 3.29Å; A244-R248 WeakPolarHBondContact O-CG 3.28Å; A244-R248 PolarHBondContact O-N 3.24Å; A244-F295 HydrophobicContact CB-CD2 3.93Å; A244-F295 HydrophobicContact CB-CE2 3.75Å
245	Q	90.4	Very high	90.6	Very high	98 Å²	98	73.9 Å²	73.9	46%	0.458	38%	0.378	S	S	.	.	H	α-helix	trans	-63	-39.8	176.1	-70.7	177.3	14.7	0	0	112.3	E241 R248 R249	E241-Q245 HydrophobicContact CG-CG 4.41Å; E241-Q245 WeakPolarHBondContact O-CG 3.38Å; E241-Q245 PolarHBondContact O-N 3.15Å; E241-Q245 PolarHBondContact OE1-NE2 3.48Å; Q245-R248 PolarHBondContact O-N 3.3Å; Q245-R249 PolarHBondContact O-N 3.13Å; Q245-R249 VanDerWaalsContact O-N 3.1Å
246	T	89.1	Confident	90.3	Very high	42 Å²	42	73.2 Å²	73.2	26%	0.258	37%	0.374	S	S	.	.	H	α-helix	trans	-64.4	-45.8	177.6	-55.7	0	0	0	0	110.6	A242 A243 A244 R249 V250 V291	A242-T246 WeakPolarHBondContact O-CB 3.49Å; A242-T246 PolarHBondContact O-N 2.9Å; A242-T246 PolarHBondContact O-OG1 3.47Å; A243-T246 PolarHBondContact O-N 3.38Å; A244-T246 VanDerWaalsContact C-N 3.33Å; A244-T246 PolarHBondContact O-N 2.91Å; T246-R249 PolarHBondContact O-N 3.06Å; T246-V250 WeakPolarHBondContact O-CG2 3.38Å; T246-V250 PolarHBondContact O-N 3.13Å; T246-V250 VanDerWaalsContact O-N 3.1Å; T246-V291 HydrophobicContact CG2-CG1 3.63Å; T246-V291 HydrophobicContact CG2-CG2 4.5Å
247	W	90.6	Very high	90	Very high	4 Å²	4	79.3 Å²	79.3	2%	0.015	39%	0.393	C	S	.	.	H	α-helix	trans	-63.4	-44.3	175.9	-179	-112.8	0	0	0	112.2	A243 A244 R249 V250 C251 D256 E260 V291 L292 F295	A243-W247 PolarHBondContact O-N 3.1Å; A244-W247 PolarHBondContact O-N 3.45Å; W247-R249 PolarHBondContact O-N 3.18Å; W247-V250 HydrophobicContact CE3-CB 4.48Å; W247-V250 HydrophobicContact CE3-CG1 4.49Å; W247-V250 HydrophobicContact CZ3-CG1 4.26Å; W247-V250 PolarHBondContact O-N 3.3Å; W247-C251 HydrophobicContact CD2-CB 4.29Å; W247-C251 HydrophobicContact CZ2-CB 4Å; W247-C251 WeakPolarHBondContact O-CB 3.44Å; W247-C251 PolarHBondContact O-N 3.02Å; W247-D256 HydrophobicContact CH2-CB 4.41Å; W247-D256 HydrophobicContact CZ2-CB 4.48Å; W247-E260 HydrophobicContact CZ2-CB 4.13Å; W247-E260 PolarHBondContact NE1-OE2 3.04Å; W247-V291 HydrophobicContact CB-CG1 4.3Å; W247-V291 HydrophobicContact CE3-CB 4.31Å; W247-V291 HydrophobicContact CE3-CG1 4.06Å; W247-L292 HydrophobicContact CD2-CD1 3.87Å; W247-L292 HydrophobicContact CE3-CB 3.94Å; W247-L292 HydrophobicContact CE3-CD1 4.13Å; W247-L292 HydrophobicContact CH2-CB 3.99Å; W247-L292 HydrophobicContact CH2-CD1 3.83Å; W247-L292 HydrophobicContact CH2-CD2 4Å; W247-L292 HydrophobicContact CH2-CG 4.14Å; W247-L292 HydrophobicContact CZ2-CD1 3.55Å; W247-L292 HydrophobicContact CZ2-CD2 4.31Å; W247-L292 HydrophobicContact CZ2-CG 4.34Å; W247-L292 HydrophobicContact CZ3-CB 3.65Å; W247-L292 HydrophobicContact CZ3-CD1 4.11Å; W247-L292 HydrophobicContact CZ3-CG 4.28Å; W247-F295 HydrophobicContact CB-CB 4.16Å; W247-F295 HydrophobicContact CB-CD1 4.17Å; W247-F295 HydrophobicContact CB-CD2 4.43Å; W247-F295 HydrophobicContact CB-CG 3.99Å; W247-F295 AromaticContact CD1-CD1 3.34Å; W247-F295 AromaticContact CD1-CE1 3.38Å; W247-F295 HydrophobicContact CG-CB 4.41Å; W247-F295 AromaticContact CG-CD1 3.76Å; W247-F295 HydrophobicContact CG-CD1 3.76Å; W247-F295 HydrophobicContact CG-CE1 4.22Å; W247-F295 HydrophobicContact CG-CG 4.09Å; W247-F295 AromaticContact NE1-CD1 3.95Å; W247-F295 AromaticContact NE1-CE1 3.93Å
248	R	89.8	Confident	89.8	Confident	149 Å²	149	77.7 Å²	77.7	56%	0.562	39%	0.387	S	S	*	.	H	α-helix	trans	-54.8	-36.3	175	-73.2	176.8	-151.2	140.6	8.7	112.4	E241 A244 Q245	E241-R248 IonicContact OE1-CZ 2.68Å; E241-R248 IonicContact OE1-NH1 2.61Å; E241-R248 PolarHBondContact OE1-NH1 2.9Å; E241-R248 IonicContact OE1-NH2 2.78Å; E241-R248 PolarHBondContact OE1-NH2 2.85Å; E241-R248 IonicContact OE2-NH2 2.86Å; A244-R248 VanDerWaalsContact O-CG 3.29Å; A244-R248 WeakPolarHBondContact O-CG 3.28Å; A244-R248 PolarHBondContact O-N 3.24Å; Q245-R248 PolarHBondContact O-N 3.3Å
249	R	88.1	Confident	89.6	Confident	186 Å²	186	71 Å²	71	70%	0.702	36%	0.356	S	S	*	.	H	α-helix	trans	-73.2	-35.3	177.3	-169.8	-175.4	-62.2	154.2	1.3	112.9	Q245 T246 W247 T252	Q245-R249 PolarHBondContact O-N 3.13Å; Q245-R249 VanDerWaalsContact O-N 3.1Å; T246-R249 PolarHBondContact O-N 3.06Å; W247-R249 PolarHBondContact O-N 3.18Å; R249-T252 WeakPolarHBondContact O-CG2 3.46Å
250	V	86.5	Confident	89.5	Confident	49 Å²	49	71 Å²	71	30%	0.297	35%	0.353	S	S	.	.	H	α-helix	trans	-83.4	-29.2	-178.5	175	0	0	0	0	112	T246 W247 T252 K288	T246-V250 WeakPolarHBondContact O-CG2 3.38Å; T246-V250 PolarHBondContact O-N 3.13Å; T246-V250 VanDerWaalsContact O-N 3.1Å; W247-V250 HydrophobicContact CE3-CB 4.48Å; W247-V250 HydrophobicContact CE3-CG1 4.49Å; W247-V250 HydrophobicContact CZ3-CG1 4.26Å; W247-V250 PolarHBondContact O-N 3.3Å; V250-T252 VanDerWaalsContact C-N 3.26Å; V250-T252 PolarHBondContact O-N 3.5Å; V250-K288 HydrophobicContact CG1-CG 4.32Å
251	C	87.1	Confident	89.6	Confident	17 Å²	17	72.4 Å²	72.4	12%	0.115	36%	0.357	C	S	.	.			trans	-78.2	68.9	-179.9	-169	0	0	0	0	111.4	W247 D256 R257	W247-C251 HydrophobicContact CD2-CB 4.29Å; W247-C251 HydrophobicContact CZ2-CB 4Å; W247-C251 WeakPolarHBondContact O-CB 3.44Å; W247-C251 PolarHBondContact O-N 3.02Å; C251-D256 HydrophobicContact CB-CB 4.46Å; C251-R257 VanDerWaalsContact SG-CG 3.52Å
252	T	86.2	Confident	89.7	Confident	93 Å²	93	70.9 Å²	70.9	57%	0.571	35%	0.35	S	S	*	.			trans	-91	-35	-177.8	60.6	0	0	0	0	112.7	R249 V250	R249-T252 WeakPolarHBondContact O-CG2 3.46Å; V250-T252 VanDerWaalsContact C-N 3.26Å; V250-T252 PolarHBondContact O-N 3.5Å
253	N	88.2	Confident	90	Very high	83 Å²	83	68.9 Å²	68.9	44%	0.444	33%	0.334	S	S	.	.	S	Bend	trans	-102.6	154.2	-168.1	-62.6	-8	0	0	0	111.7	V255 D256 R257	N253-V255 PolarHBondContact O-N 2.97Å; N253-V255 VanDerWaalsContact O-N 3.15Å; N253-D256 WeakPolarHBondContact O-CB 3.05Å; N253-D256 PolarHBondContact O-N 3.29Å; N253-R257 PolarHBondContact O-N 3.16Å
254	P	88.3	Confident	90.2	Very high	108 Å²	108	73.6 Å²	73.6	70%	0.701	35%	0.351	S	S	*	.	H	α-helix	trans	-56.7	-30.9	175.6	-25.8	34.4	0	0	0	113.7	D256 R257 K258	P254-D256 VanDerWaalsContact C-N 3.3Å; P254-D256 PolarHBondContact O-N 3.01Å; P254-R257 PolarHBondContact O-N 3.48Å; P254-K258 PolarHBondContact O-N 2.81Å
255	V	87.1	Confident	90.5	Very high	98 Å²	98	79.3 Å²	79.3	59%	0.594	38%	0.375	S	S	*	.	H	α-helix	trans	-61.7	-39.3	175.6	-178.9	0	0	0	0	111.3	N253 K258 V259	N253-V255 PolarHBondContact O-N 2.97Å; N253-V255 VanDerWaalsContact O-N 3.15Å; V255-K258 PolarHBondContact O-N 3Å; V255-V259 VanDerWaalsContact O-CG2 3.32Å; V255-V259 WeakPolarHBondContact O-CG2 3.43Å; V255-V259 PolarHBondContact O-N 3.03Å
256	D	88.4	Confident	90.7	Very high	6 Å²	6	75.9 Å²	75.9	3%	0.032	36%	0.36	C	S	.	.	H	α-helix	trans	-71.3	-37.8	-177.6	-61.9	-35	0	0	0	111.5	W247 C251 N253 P254 V259 E260 K288	W247-D256 HydrophobicContact CH2-CB 4.41Å; W247-D256 HydrophobicContact CZ2-CB 4.48Å; C251-D256 HydrophobicContact CB-CB 4.46Å; N253-D256 WeakPolarHBondContact O-CB 3.05Å; N253-D256 PolarHBondContact O-N 3.29Å; P254-D256 VanDerWaalsContact C-N 3.3Å; P254-D256 PolarHBondContact O-N 3.01Å; D256-V259 PolarHBondContact O-N 3.28Å; D256-E260 PolarHBondContact O-N 3.21Å; D256-K288 VanDerWaalsContact OD1-CD 3.3Å; D256-K288 WeakPolarHBondContact OD1-CD 3.33Å; D256-K288 IonicContact OD1-NZ 3.29Å; D256-K288 PolarHBondContact OD1-NZ 2.89Å; D256-K288 IonicContact OD2-NZ 3.64Å; D256-K288 PolarHBondContact OD2-NZ 2.88Å
257	R	89.3	Confident	91	Very high	153 Å²	153	74 Å²	74	58%	0.577	35%	0.348	S	S	*	.	H	α-helix	trans	-63.8	-42.8	172.6	-64.7	-177.4	-175.4	179.2	1.4	111.5	C251 N253 P254 V259 E260 E261	C251-R257 VanDerWaalsContact SG-CG 3.52Å; N253-R257 PolarHBondContact O-N 3.16Å; P254-R257 PolarHBondContact O-N 3.48Å; R257-V259 PolarHBondContact O-N 3.11Å; R257-E260 WeakPolarHBondContact O-CB 3.39Å; R257-E260 PolarHBondContact O-N 3.43Å; R257-E261 WeakPolarHBondContact O-CG 3.14Å; R257-E261 PolarHBondContact O-N 3.36Å
258	K	91.5	Very high	91.2	Very high	126 Å²	126	78.6 Å²	78.6	55%	0.548	37%	0.373	S	S	.	.	H	α-helix	trans	-61.1	-44.1	175.8	-173.8	179.5	177.3	-173.1	0	111.6	P254 V255 E260 E261 E262	P254-K258 PolarHBondContact O-N 2.81Å; V255-K258 PolarHBondContact O-N 3Å; K258-E260 VanDerWaalsContact C-N 3.35Å; K258-E261 PolarHBondContact O-N 3.45Å; K258-E262 WeakPolarHBondContact CE-OE1 3.29Å; K258-E262 IonicContact NZ-OE1 3.52Å; K258-E262 WeakPolarHBondContact O-CB 3.45Å; K258-E262 WeakPolarHBondContact O-CG 3.31Å; K258-E262 PolarHBondContact O-N 2.97Å
259	V	91.4	Very high	91.5	Very high	12 Å²	12	77.9 Å²	77.9	7%	0.073	38%	0.379	C	S	.	.	H	α-helix	trans	-64.2	-39.1	176.6	168.1	0	0	0	0	111.6	V255 D256 R257 E262 L263 I282 V284 L292	V255-V259 VanDerWaalsContact O-CG2 3.32Å; V255-V259 WeakPolarHBondContact O-CG2 3.43Å; V255-V259 PolarHBondContact O-N 3.03Å; D256-V259 PolarHBondContact O-N 3.28Å; R257-V259 PolarHBondContact O-N 3.11Å; V259-E262 PolarHBondContact O-N 3.35Å; V259-L263 WeakPolarHBondContact O-CB 3.46Å; V259-L263 PolarHBondContact O-N 3.49Å; V259-I282 HydrophobicContact CG1-CG2 4.03Å; V259-V284 HydrophobicContact CG1-CB 3.88Å; V259-V284 HydrophobicContact CG1-CG2 3.78Å; V259-L292 HydrophobicContact CG1-CD2 3.8Å
260	E	93.5	Very high	91.8	Very high	36 Å²	36	70 Å²	70	17%	0.168	35%	0.349	C	S	.	.	H	α-helix	trans	-59.6	-49.6	173	-173.7	-169.9	150.7	0	0	111.3	W247 D256 R257 K258 E262 L263 R264 L292 F295 I296	W247-E260 HydrophobicContact CZ2-CB 4.13Å; W247-E260 PolarHBondContact NE1-OE2 3.04Å; D256-E260 PolarHBondContact O-N 3.21Å; R257-E260 WeakPolarHBondContact O-CB 3.39Å; R257-E260 PolarHBondContact O-N 3.43Å; K258-E260 VanDerWaalsContact C-N 3.35Å; E260-E262 PolarHBondContact O-N 2.94Å; E260-L263 PolarHBondContact O-N 3.04Å; E260-R264 WeakPolarHBondContact O-CG 3.5Å; E260-R264 PolarHBondContact O-N 3.3Å; E260-R264 IonicContact OE1-CZ 3.76Å; E260-R264 IonicContact OE1-NE 4Å; E260-R264 PolarHBondContact OE1-NE 2.83Å; E260-R264 IonicContact OE1-NH2 3.18Å; E260-R264 PolarHBondContact OE1-NH2 2.83Å; E260-L292 HydrophobicContact CB-CD1 4.32Å; E260-L292 HydrophobicContact CG-CD1 4.11Å; E260-F295 WeakPolarHBondContact OE1-CE1 3.38Å; E260-I296 HydrophobicContact CG-CD1 4.17Å
261	E	94.2	Very high	92.3	Very high	109 Å²	109	68.4 Å²	68.4	51%	0.509	34%	0.34	S	S	.	.	H	α-helix	trans	-61.9	-42	178.4	-72	174.2	-163	0	0	112.3	R257 K258 R264 K265	R257-E261 WeakPolarHBondContact O-CG 3.14Å; R257-E261 PolarHBondContact O-N 3.36Å; K258-E261 PolarHBondContact O-N 3.45Å; E261-R264 PolarHBondContact O-N 3.46Å; E261-K265 VanDerWaalsContact O-CG 3.28Å; E261-K265 WeakPolarHBondContact O-CG 3.44Å; E261-K265 PolarHBondContact O-N 2.9Å
262	E	94	Very high	92.8	Very high	72 Å²	72	67.6 Å²	67.6	34%	0.336	33%	0.334	S	S	.	.	H	α-helix	trans	-61.8	-43.8	174.9	-76.3	176.4	-178.1	0	0	111.4	K258 V259 E260 K265 L266 I282	K258-E262 WeakPolarHBondContact CE-OE1 3.29Å; K258-E262 IonicContact NZ-OE1 3.52Å; K258-E262 WeakPolarHBondContact O-CB 3.45Å; K258-E262 WeakPolarHBondContact O-CG 3.31Å; K258-E262 PolarHBondContact O-N 2.97Å; V259-E262 PolarHBondContact O-N 3.35Å; E260-E262 PolarHBondContact O-N 2.94Å; E262-K265 WeakPolarHBondContact O-CB 3.36Å; E262-K265 PolarHBondContact O-N 2.79Å; E262-L266 PolarHBondContact O-N 2.89Å; E262-I282 HydrophobicContact CB-CD1 4.01Å; E262-I282 HydrophobicContact CB-CG1 4.37Å
263	L	94.7	Very high	93.3	Very high	1 Å²	1	63.9 Å²	63.9	1%	0.005	31%	0.31	C	S	.	.	H	α-helix	trans	-68.1	-39	178.9	-172.6	59.6	0	0	0	111.9	V259 E260 K265 L266 F267 V278 I282 L292 L293 I296	V259-L263 WeakPolarHBondContact O-CB 3.46Å; V259-L263 PolarHBondContact O-N 3.49Å; E260-L263 PolarHBondContact O-N 3.04Å; L263-K265 VanDerWaalsContact C-N 3.34Å; L263-K265 PolarHBondContact O-N 3.32Å; L263-L266 HydrophobicContact CD1-CD1 4.27Å; L263-L266 WeakPolarHBondContact O-CB 3.47Å; L263-L266 PolarHBondContact O-N 3.16Å; L263-F267 HydrophobicContact CD1-CD2 3.94Å; L263-F267 HydrophobicContact CD1-CE2 3.71Å; L263-F267 HydrophobicContact CD2-CE2 4.46Å; L263-F267 HydrophobicContact CG-CD2 3.99Å; L263-F267 HydrophobicContact CG-CE2 3.96Å; L263-F267 WeakPolarHBondContact O-CD2 3.48Å; L263-F267 PolarHBondContact O-N 3.32Å; L263-V278 HydrophobicContact CD1-CG1 3.64Å; L263-V278 HydrophobicContact CD1-CG2 4.28Å; L263-I282 VanDerWaalsContact CA-CD1 3.47Å; L263-I282 HydrophobicContact CB-CD1 3.76Å; L263-I282 HydrophobicContact CD1-CD1 3.85Å; L263-I282 HydrophobicContact CG-CD1 4.41Å; L263-L292 HydrophobicContact CB-CD2 4.44Å; L263-L292 HydrophobicContact CD2-CD2 3.61Å; L263-L292 HydrophobicContact CD2-CG 3.65Å; L263-L293 HydrophobicContact CD2-CD2 4.37Å; L263-I296 HydrophobicContact CB-CD1 4.16Å; L263-I296 HydrophobicContact CD2-CD1 3.85Å; L263-I296 HydrophobicContact CG-CD1 4.06Å
264	R	95.4	Very high	93.6	Very high	100 Å²	100	60.4 Å²	60.4	38%	0.377	29%	0.292	S	S	.	.	H	α-helix	trans	-58	-46.7	171.7	-73.2	-178.8	-174.8	-73.5	-2.5	111.3	E260 E261 L266 F267 D268 I296	E260-R264 WeakPolarHBondContact O-CG 3.5Å; E260-R264 PolarHBondContact O-N 3.3Å; E260-R264 IonicContact OE1-CZ 3.76Å; E260-R264 IonicContact OE1-NE 4Å; E260-R264 PolarHBondContact OE1-NE 2.83Å; E260-R264 IonicContact OE1-NH2 3.18Å; E260-R264 PolarHBondContact OE1-NH2 2.83Å; E261-R264 PolarHBondContact O-N 3.46Å; R264-L266 VanDerWaalsContact C-N 3.32Å; R264-L266 PolarHBondContact O-N 3.26Å; R264-F267 PolarHBondContact O-N 2.98Å; R264-F267 VanDerWaalsContact O-N 3.1Å; R264-D268 PolarHBondContact O-N 3.18Å; R264-I296 HydrophobicContact CG-CD1 4.12Å
265	K	95.9	Very high	93.7	Very high	124 Å²	124	56.4 Å²	56.4	54%	0.539	26%	0.263	S	S	.	.	H	α-helix	trans	-59.5	-40.2	176.3	-72.3	168.4	-175.1	169.4	0	112.3	E261 E262 L263 F267 D268 I269	E261-K265 VanDerWaalsContact O-CG 3.28Å; E261-K265 WeakPolarHBondContact O-CG 3.44Å; E261-K265 PolarHBondContact O-N 2.9Å; E262-K265 WeakPolarHBondContact O-CB 3.36Å; E262-K265 PolarHBondContact O-N 2.79Å; L263-K265 VanDerWaalsContact C-N 3.34Å; L263-K265 PolarHBondContact O-N 3.32Å; K265-F267 VanDerWaalsContact C-N 3.35Å; K265-F267 PolarHBondContact O-N 2.9Å; K265-D268 PolarHBondContact O-N 3.07Å; K265-I269 WeakPolarHBondContact O-CG1 3.44Å; K265-I269 PolarHBondContact O-N 2.81Å
266	L	95.1	Very high	93.9	Very high	25 Å²	25	52.9 Å²	52.9	13%	0.131	24%	0.241	C	C	.	.	H	α-helix	trans	-60.6	-44.2	174	-73.9	-172.1	0	0	0	112.2	E262 L263 R264 D268 I269 R270 W273 N281 I282	E262-L266 PolarHBondContact O-N 2.89Å; L263-L266 HydrophobicContact CD1-CD1 4.27Å; L263-L266 WeakPolarHBondContact O-CB 3.47Å; L263-L266 PolarHBondContact O-N 3.16Å; R264-L266 VanDerWaalsContact C-N 3.32Å; R264-L266 PolarHBondContact O-N 3.26Å; L266-D268 VanDerWaalsContact C-N 3.28Å; L266-D268 PolarHBondContact O-N 3.28Å; L266-I269 PolarHBondContact O-N 3.36Å; L266-R270 PolarHBondContact O-N 2.88Å; L266-W273 HydrophobicContact CB-CZ2 4.21Å; L266-W273 HydrophobicContact CD2-CH2 4.48Å; L266-W273 HydrophobicContact CD2-CZ2 4.16Å; L266-W273 PolarHBondContact O-NE1 2.91Å; L266-N281 HydrophobicContact CD1-CB 3.73Å; L266-N281 HydrophobicContact CD2-CB 4.26Å; L266-I282 HydrophobicContact CD1-CD1 3.33Å; L266-I282 HydrophobicContact CD1-CG1 3.68Å; L266-I282 HydrophobicContact CG-CD1 3.96Å; L266-I282 HydrophobicContact CG-CG1 4.44Å
267	F	96.4	Very high	94.1	Very high	2 Å²	2	52.6 Å²	52.6	1%	0.009	24%	0.239	C	C	.	.	H	α-helix	trans	-70	-24.5	178.6	-86	-74.8	0	0	0	113.4	L263 R264 K265 R270 P271 W273 L293 I296 A297 W309 R311	L263-F267 HydrophobicContact CD1-CD2 3.94Å; L263-F267 HydrophobicContact CD1-CE2 3.71Å; L263-F267 HydrophobicContact CD2-CE2 4.46Å; L263-F267 HydrophobicContact CG-CD2 3.99Å; L263-F267 HydrophobicContact CG-CE2 3.96Å; L263-F267 WeakPolarHBondContact O-CD2 3.48Å; L263-F267 PolarHBondContact O-N 3.32Å; R264-F267 PolarHBondContact O-N 2.98Å; R264-F267 VanDerWaalsContact O-N 3.1Å; K265-F267 VanDerWaalsContact C-N 3.35Å; K265-F267 PolarHBondContact O-N 2.9Å; F267-R270 CarbonylContact C-O 3.53Å; F267-R270 VanDerWaalsContact CA-O 3.25Å; F267-R270 WeakPolarHBondContact CA-O 3.42Å; F267-R270 CarbonylContact O-C 3.32Å; F267-P271 WeakPolarHBondContact O-CA 3.25Å; F267-W273 AromaticContact CD1-CD1 3.75Å; F267-W273 HydrophobicContact CE1-CB 4.38Å; F267-W273 AromaticContact CE1-CD1 3.73Å; F267-W273 HydrophobicContact CE1-CG 4.45Å; F267-W273 HydrophobicContact CZ-CB 4.35Å; F267-L293 HydrophobicContact CE2-CD2 4.31Å; F267-L293 HydrophobicContact CZ-CD2 4.36Å; F267-I296 HydrophobicContact CD2-CG2 3.64Å; F267-I296 HydrophobicContact CE2-CG2 4.01Å; F267-I296 HydrophobicContact CG-CG2 4.24Å; F267-A297 HydrophobicContact CE1-CB 4.02Å; F267-A297 HydrophobicContact CE2-CB 4.4Å; F267-A297 HydrophobicContact CZ-CB 3.8Å; F267-W309 HydrophobicContact CE1-CB 4.35Å; F267-W309 HydrophobicContact CZ-CB 3.93Å; F267-R311 HydrophobicContact CB-CB 4.3Å; F267-R311 HydrophobicContact CB-CG 4.2Å; F267-R311 HydrophobicContact CD1-CB 3.87Å; F267-R311 HydrophobicContact CG-CB 4.4Å
268	D	95	Very high	94.2	Very high	102 Å²	102	45.3 Å²	45.3	55%	0.545	21%	0.212	S	C	.	.	H	α-helix	trans	-75.3	-35.9	172.6	-68.6	-29.5	0	0	0	112	R264 K265 L266 R311	R264-D268 PolarHBondContact O-N 3.18Å; K265-D268 PolarHBondContact O-N 3.07Å; L266-D268 VanDerWaalsContact C-N 3.28Å; L266-D268 PolarHBondContact O-N 3.28Å; D268-R311 IonicContact OD1-CZ 3.68Å; D268-R311 IonicContact OD1-NH1 3.45Å; D268-R311 PolarHBondContact OD1-NH1 3.27Å
269	I	94.8	Very high	94.2	Very high	134 Å²	134	40.8 Å²	40.8	69%	0.687	19%	0.192	S	C	*	.	H	α-helix	trans	-70.5	-43	174	-66.4	164.6	0	0	0	110.9	K265 L266	K265-I269 WeakPolarHBondContact O-CG1 3.44Å; K265-I269 PolarHBondContact O-N 2.81Å; L266-I269 PolarHBondContact O-N 3.36Å
270	R	94.9	Very high	94.1	Very high	19 Å²	19	40.2 Å²	40.2	7%	0.072	19%	0.189	C	C	.	.			trans	-139.5	116.9	-177.9	164.3	172.8	176.1	174.7	5.2	109	L266 F267 I272 W273 Y325 Q418 C420 D421	L266-R270 PolarHBondContact O-N 2.88Å; F267-R270 CarbonylContact C-O 3.53Å; F267-R270 VanDerWaalsContact CA-O 3.25Å; F267-R270 WeakPolarHBondContact CA-O 3.42Å; F267-R270 CarbonylContact O-C 3.32Å; R270-I272 VanDerWaalsContact CG-O 3.3Å; R270-I272 WeakPolarHBondContact CG-O 3.45Å; R270-I272 PolarHBondContact NE-O 2.79Å; R270-I272 PolarHBondContact O-N 3.5Å; R270-W273 HydrophobicContact CB-CZ2 3.65Å; R270-W273 HydrophobicContact CG-CD2 4.13Å; R270-W273 HydrophobicContact CG-CG 4.42Å; R270-W273 HydrophobicContact CG-CZ2 4Å; R270-W273 PolarHBondContact O-NE1 2.81Å; R270-Y325 HydrophobicContact CB-CE1 4.42Å; R270-Y325 HydrophobicContact CG-CD1 4.06Å; R270-Y325 HydrophobicContact CG-CE1 3.63Å; R270-Q418 VanDerWaalsContact NH2-CB 3.33Å; R270-C420 PolarHBondContact NH1-SG 2.98Å; R270-C420 VanDerWaalsContact NH1-SG 3.4Å; R270-C420 PolarHBondContact NH2-SG 3.42Å; R270-D421 IonicContact CZ-OD1 3.75Å; R270-D421 IonicContact CZ-OD2 3.77Å; R270-D421 IonicContact NH1-OD1 2.94Å; R270-D421 PolarHBondContact NH1-OD1 3.16Å; R270-D421 IonicContact NH1-OD2 3.36Å; R270-D421 PolarHBondContact NH1-OD2 2.78Å; R270-D421 IonicContact NH2-OD1 3.05Å; R270-D421 IonicContact NH2-OD2 3.73Å; R270-D421 PolarHBondContact NH2-OD2 3.27Å
271	P	96.9	Very high	94	Very high	16 Å²	16	41.2 Å²	41.2	10%	0.104	20%	0.195	C	C	.	.	S	Bend	trans	-73.4	-12.9	-172.3	26.8	-33.9	0	0	0	114.4	F267 I310 R311 Y314 Y325	F267-P271 WeakPolarHBondContact O-CA 3.25Å; P271-I310 WeakPolarHBondContact O-CA 3.22Å; P271-R311 PolarHBondContact O-N 3.41Å; P271-Y314 HydrophobicContact CB-CD1 3.73Å; P271-Y314 HydrophobicContact CB-CD2 4.03Å; P271-Y314 HydrophobicContact CB-CE1 3.94Å; P271-Y314 HydrophobicContact CB-CE2 4.23Å; P271-Y314 HydrophobicContact CB-CG 3.77Å; P271-Y314 HydrophobicContact CG-CD1 4.04Å; P271-Y314 HydrophobicContact CG-CD2 4.27Å; P271-Y314 HydrophobicContact CG-CE1 3.69Å; P271-Y314 HydrophobicContact CG-CE2 3.94Å; P271-Y314 HydrophobicContact CG-CG 4.3Å; P271-Y325 HydrophobicContact CG-CD2 4.31Å; P271-Y325 HydrophobicContact CG-CE2 3.86Å
272	I	97.9	Very high	93.7	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	122	-173.6	-47.5	-177.1	0	0	0	111.3	R270 W305 L308 W309 I310 Y314 P316 A322 Y325 Q418	R270-I272 VanDerWaalsContact CG-O 3.3Å; R270-I272 WeakPolarHBondContact CG-O 3.45Å; R270-I272 PolarHBondContact NE-O 2.79Å; R270-I272 PolarHBondContact O-N 3.5Å; I272-W305 VanDerWaalsContact CD1-CD1 3.47Å; I272-W305 HydrophobicContact CD1-CG 4.16Å; I272-L308 HydrophobicContact CG2-CB 3.59Å; I272-L308 HydrophobicContact CG2-CD1 3.59Å; I272-L308 HydrophobicContact CG2-CG 4.18Å; I272-W309 WeakPolarHBondContact CA-O 3.31Å; I272-I310 HydrophobicContact CB-CG1 4.48Å; I272-I310 HydrophobicContact CD1-CG1 4.34Å; I272-I310 HydrophobicContact CG1-CG1 4.08Å; I272-I310 HydrophobicContact CG1-CG2 4.2Å; I272-I310 HydrophobicContact CG2-CG1 3.93Å; I272-Y314 HydrophobicContact CD1-CD1 4.47Å; I272-Y314 HydrophobicContact CD1-CE1 3.99Å; I272-Y314 HydrophobicContact CG1-CD1 4.29Å; I272-Y314 HydrophobicContact CG1-CE1 4.09Å; I272-P316 HydrophobicContact CD1-CB 3.78Å; I272-P316 HydrophobicContact CD1-CG 4.35Å; I272-A322 HydrophobicContact CD1-CB 4.41Å; I272-Y325 HydrophobicContact CB-CD2 4.48Å; I272-Y325 HydrophobicContact CB-CG 4.25Å; I272-Y325 HydrophobicContact CD1-CD2 4.15Å; I272-Y325 HydrophobicContact CD1-CG 4.38Å; I272-Y325 HydrophobicContact CG1-CD2 4.26Å; I272-Y325 HydrophobicContact CG1-CG 4.48Å; I272-Q418 PolarHBondContact O-NE2 3.48Å
273	W	96.6	Very high	93.5	Very high	16 Å²	16	35.7 Å²	35.7	6%	0.061	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	141.9	-178.2	-69.3	92.7	0	0	0	112.5	L266 F267 R270 A277 V278 W309	L266-W273 HydrophobicContact CB-CZ2 4.21Å; L266-W273 HydrophobicContact CD2-CH2 4.48Å; L266-W273 HydrophobicContact CD2-CZ2 4.16Å; L266-W273 PolarHBondContact O-NE1 2.91Å; F267-W273 AromaticContact CD1-CD1 3.75Å; F267-W273 HydrophobicContact CE1-CB 4.38Å; F267-W273 AromaticContact CE1-CD1 3.73Å; F267-W273 HydrophobicContact CE1-CG 4.45Å; F267-W273 HydrophobicContact CZ-CB 4.35Å; R270-W273 HydrophobicContact CB-CZ2 3.65Å; R270-W273 HydrophobicContact CG-CD2 4.13Å; R270-W273 HydrophobicContact CG-CG 4.42Å; R270-W273 HydrophobicContact CG-CZ2 4Å; R270-W273 PolarHBondContact O-NE1 2.81Å; W273-A277 HydrophobicContact CE3-CB 3.59Å; W273-A277 HydrophobicContact CZ3-CB 4.01Å; W273-V278 HydrophobicContact CB-CG2 3.7Å; W273-V278 HydrophobicContact CG-CG2 4.26Å; W273-W309 PolarHBondContact N-O 3.01Å; W273-W309 PolarHBondContact O-N 3.34Å
274	S	93.9	Very high	93.1	Very high	10 Å²	10	36.1 Å²	36.1	7%	0.07	18%	0.179	C	C	.	.			trans	-74.9	154.3	162	73.2	0	0	0	0	110.7	N276 A277 V278	S274-N276 VanDerWaalsContact C-N 3.25Å; S274-N276 PolarHBondContact O-N 3.26Å; S274-A277 PolarHBondContact O-N 3.07Å; S274-A277 VanDerWaalsContact OG-CB 3.25Å; S274-A277 WeakPolarHBondContact OG-CB 3.36Å; S274-A277 PolarHBondContact OG-N 3Å; S274-A277 VanDerWaalsContact OG-N 3.13Å; S274-V278 PolarHBondContact O-N 3.14Å
275	R	91.5	Very high	92.7	Very high	23 Å²	23	34.9 Å²	34.9	9%	0.087	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-35.5	177	-175.9	176.4	-179.9	-164.4	5.6	112.7	V278 K279 L289 L293 E523 D526	R275-V278 PolarHBondContact O-N 2.85Å; R275-K279 WeakPolarHBondContact O-CG 3.42Å; R275-K279 PolarHBondContact O-N 3.02Å; R275-L289 HydrophobicContact CG-CD2 4.34Å; R275-L293 HydrophobicContact CG-CD1 4.34Å; R275-E523 VanDerWaalsContact CB-OE1 3.3Å; R275-E523 WeakPolarHBondContact CB-OE1 3.26Å; R275-E523 VanDerWaalsContact CD-OE1 3.25Å; R275-E523 WeakPolarHBondContact CD-OE1 3.49Å; R275-D526 IonicContact CZ-OD2 3.86Å; R275-D526 VanDerWaalsContact CZ-OD2 3.24Å; R275-D526 IonicContact NH1-OD2 3.33Å; R275-D526 PolarHBondContact NH1-OD2 3.43Å; R275-D526 IonicContact NH2-OD2 2.69Å; R275-D526 PolarHBondContact NH2-OD2 3.08Å
276	N	90.5	Very high	92.2	Very high	24 Å²	24	29.9 Å²	29.9	13%	0.128	16%	0.157	C	C	.	.	H	α-helix	trans	-68.2	-40.6	176.8	-69.3	-19	0	0	0	111.9	S274 V278 K279 A280 V401 E519	S274-N276 VanDerWaalsContact C-N 3.25Å; S274-N276 PolarHBondContact O-N 3.26Å; N276-V278 VanDerWaalsContact C-N 3.33Å; N276-V278 PolarHBondContact O-N 3.29Å; N276-K279 PolarHBondContact O-N 3.3Å; N276-A280 WeakPolarHBondContact O-CB 3.46Å; N276-A280 PolarHBondContact O-N 3.11Å; N276-V401 HydrophobicContact CB-CG1 3.99Å; N276-E519 PolarHBondContact ND2-OE1 2.82Å
277	A	91.8	Very high	91.7	Very high	0 Å²	0	33.3 Å²	33.3	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-64.1	-38.9	175.7	0	0	0	0	0	111.4	W273 S274 A280 N281 Y402	W273-A277 HydrophobicContact CE3-CB 3.59Å; W273-A277 HydrophobicContact CZ3-CB 4.01Å; S274-A277 PolarHBondContact O-N 3.07Å; S274-A277 VanDerWaalsContact OG-CB 3.25Å; S274-A277 WeakPolarHBondContact OG-CB 3.36Å; S274-A277 PolarHBondContact OG-N 3Å; S274-A277 VanDerWaalsContact OG-N 3.13Å; A277-A280 PolarHBondContact O-N 2.87Å; A277-N281 PolarHBondContact O-N 2.93Å; A277-N281 VanDerWaalsContact O-N 3.09Å; A277-N281 PolarHBondContact O-ND2 3.4Å; A277-Y402 HydrophobicContact CB-CD1 4.33Å; A277-Y402 HydrophobicContact CB-CD2 3.45Å; A277-Y402 VanDerWaalsContact CB-CD2 3.45Å; A277-Y402 HydrophobicContact CB-CE2 3.81Å; A277-Y402 HydrophobicContact CB-CG 3.73Å
278	V	92.6	Very high	91.4	Very high	0 Å²	0	35.9 Å²	35.9	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-60.8	-48.4	172.4	174.9	0	0	0	0	111.4	L263 W273 S274 R275 N276 A280 N281 I282 L289	L263-V278 HydrophobicContact CD1-CG1 3.64Å; L263-V278 HydrophobicContact CD1-CG2 4.28Å; W273-V278 HydrophobicContact CB-CG2 3.7Å; W273-V278 HydrophobicContact CG-CG2 4.26Å; S274-V278 PolarHBondContact O-N 3.14Å; R275-V278 PolarHBondContact O-N 2.85Å; N276-V278 VanDerWaalsContact C-N 3.33Å; N276-V278 PolarHBondContact O-N 3.29Å; V278-A280 PolarHBondContact O-N 3.07Å; V278-N281 PolarHBondContact O-N 3.31Å; V278-N281 VanDerWaalsContact O-N 3.08Å; V278-I282 PolarHBondContact O-N 3.41Å; V278-L289 HydrophobicContact CG1-CD1 3.83Å
279	K	90.7	Very high	91.1	Very high	32 Å²	32	31.1 Å²	31.1	14%	0.139	16%	0.161	C	C	.	.	H	α-helix	trans	-64.1	-28.1	178.1	-72.1	175	179.6	175	0	113.3	R275 N276 L289 K396 L397	R275-K279 WeakPolarHBondContact O-CG 3.42Å; R275-K279 PolarHBondContact O-N 3.02Å; N276-K279 PolarHBondContact O-N 3.3Å; K279-L289 HydrophobicContact CD-CD2 4.37Å; K279-L289 HydrophobicContact CG-CD2 3.61Å; K279-K396 WeakPolarHBondContact O-CA 3.37Å; K279-L397 HydrophobicContact CB-CB 4.46Å; K279-L397 HydrophobicContact CB-CD1 3.64Å; K279-L397 HydrophobicContact CB-CG 3.85Å; K279-L397 HydrophobicContact CD-CD1 3.82Å; K279-L397 HydrophobicContact CD-CG 4.47Å; K279-L397 HydrophobicContact CG-CD1 4.42Å; K279-L397 PolarHBondContact O-N 2.81Å
280	A	90.1	Very high	90.9	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-78.6	-21.7	175	0	0	0	0	0	112.5	N276 A277 V278 K396 L397 Y402	N276-A280 WeakPolarHBondContact O-CB 3.46Å; N276-A280 PolarHBondContact O-N 3.11Å; A277-A280 PolarHBondContact O-N 2.87Å; V278-A280 PolarHBondContact O-N 3.07Å; A280-K396 WeakPolarHBondContact O-CE 3.4Å; A280-K396 WeakPolarHBondContact O-CG 3.23Å; A280-L397 HydrophobicContact CB-CB 4.23Å; A280-Y402 HydrophobicContact CB-CD1 3.65Å; A280-Y402 HydrophobicContact CB-CE1 3.32Å
281	N	90.1	Very high	90.7	Very high	57 Å²	57	26.4 Å²	26.4	31%	0.305	14%	0.138	S	C	.	.	H	α-helix	trans	-98	-31.5	-179.6	-77.4	-83.5	0	0	0	113.4	L266 A277 V278 Y402	L266-N281 HydrophobicContact CD1-CB 3.73Å; L266-N281 HydrophobicContact CD2-CB 4.26Å; A277-N281 PolarHBondContact O-N 2.93Å; A277-N281 VanDerWaalsContact O-N 3.09Å; A277-N281 PolarHBondContact O-ND2 3.4Å; V278-N281 PolarHBondContact O-N 3.31Å; V278-N281 VanDerWaalsContact O-N 3.08Å; N281-Y402 PolarHBondContact ND2-OH 3.1Å; N281-Y402 VanDerWaalsContact ND2-OH 3.11Å
282	I	89.7	Confident	90.5	Very high	6 Å²	6	25.6 Å²	25.6	3%	0.031	13%	0.133	C	C	.	.	S	Bend	trans	-122.7	135.8	-178.7	-69.4	169.6	0	0	0	111.1	V259 E262 L263 L266 V278 V284	V259-I282 HydrophobicContact CG1-CG2 4.03Å; E262-I282 HydrophobicContact CB-CD1 4.01Å; E262-I282 HydrophobicContact CB-CG1 4.37Å; L263-I282 VanDerWaalsContact CA-CD1 3.47Å; L263-I282 HydrophobicContact CB-CD1 3.76Å; L263-I282 HydrophobicContact CD1-CD1 3.85Å; L263-I282 HydrophobicContact CG-CD1 4.41Å; L266-I282 HydrophobicContact CD1-CD1 3.33Å; L266-I282 HydrophobicContact CD1-CG1 3.68Å; L266-I282 HydrophobicContact CG-CD1 3.96Å; L266-I282 HydrophobicContact CG-CG1 4.44Å; V278-I282 PolarHBondContact O-N 3.41Å; I282-V284 HydrophobicContact CG2-CB 4.08Å; I282-V284 HydrophobicContact CG2-CG1 4.07Å; I282-V284 PolarHBondContact O-N 2.76Å
283	S	88.3	Confident	90.3	Very high	58 Å²	58	25.6 Å²	25.6	41%	0.406	13%	0.133	S	C	.	.			trans	-87.1	92.9	172.4	-178.9	0	0	0	0	110.4
284	V	87.2	Confident	90.2	Very high	11 Å²	11	24.9 Å²	24.9	7%	0.067	13%	0.13	C	C	.	.			trans	-131	142.7	178.7	58.4	0	0	0	0	110.9	V259 I282 K288 L289 Y395	V259-V284 HydrophobicContact CG1-CB 3.88Å; V259-V284 HydrophobicContact CG1-CG2 3.78Å; I282-V284 HydrophobicContact CG2-CB 4.08Å; I282-V284 HydrophobicContact CG2-CG1 4.07Å; I282-V284 PolarHBondContact O-N 2.76Å; V284-K288 HydrophobicContact CG2-CB 4Å; V284-L289 HydrophobicContact CG1-CB 3.95Å; V284-L289 HydrophobicContact CG1-CD1 3.99Å; V284-L289 HydrophobicContact CG1-CD2 4.26Å; V284-L289 HydrophobicContact CG1-CG 4.28Å; V284-L289 HydrophobicContact CG2-CB 4.41Å; V284-Y395 WeakPolarHBondContact O-CB 3.25Å
285	H	87.3	Confident	90.2	Very high	73 Å²	73	25.8 Å²	25.8	34%	0.338	13%	0.133	S	C	.	.			trans	-61.1	134.4	175.5	-170	-84.5	0	0	0	110.7	D287 K288 L289 Y395	H285-D287 VanDerWaalsContact C-N 3.29Å; H285-D287 IonicContact CE1-OD2 3.45Å; H285-D287 PolarHBondContact CE1-OD2 3.27Å; H285-D287 PolarHBondContact ND1-N 2.97Å; H285-D287 IonicContact ND1-OD2 2.58Å; H285-D287 PolarHBondContact O-N 3.31Å; H285-D287 VanDerWaalsContact O-N 3.16Å; H285-K288 HydrophobicContact CB-CG 4.35Å; H285-K288 PolarHBondContact O-N 3.49Å; H285-L289 PolarHBondContact O-N 2.75Å; H285-Y395 AromaticContact CD2-CE1 3.65Å; H285-Y395 AromaticContact CD2-CZ 3.58Å
286	P	85.2	Confident	90.4	Very high	19 Å²	19	25.1 Å²	25.1	12%	0.123	13%	0.131	C	C	.	.	H	α-helix	trans	-51.5	-41.7	-176.6	-28.9	33.5	0	0	0	114.7	K288 L289 K290 F510	P286-K288 VanDerWaalsContact C-N 3.34Å; P286-K288 PolarHBondContact O-N 2.9Å; P286-L289 PolarHBondContact O-N 2.69Å; P286-K290 WeakPolarHBondContact O-CG 3.41Å; P286-K290 PolarHBondContact O-N 3.03Å; P286-K290 VanDerWaalsContact O-N 3.1Å; P286-F510 HydrophobicContact CB-CZ 4.49Å; P286-F510 HydrophobicContact CG-CE1 4.04Å; P286-F510 HydrophobicContact CG-CE2 4.02Å; P286-F510 HydrophobicContact CG-CZ 3.51Å
287	D	85	Confident	90.7	Very high	98 Å²	98	24 Å²	24	52%	0.524	13%	0.125	S	C	.	.	H	α-helix	trans	-67.6	-31.2	179.5	-65.9	-25.8	0	0	0	113.7	H285	H285-D287 VanDerWaalsContact C-N 3.29Å; H285-D287 IonicContact CE1-OD2 3.45Å; H285-D287 PolarHBondContact CE1-OD2 3.27Å; H285-D287 PolarHBondContact ND1-N 2.97Å; H285-D287 IonicContact ND1-OD2 2.58Å; H285-D287 PolarHBondContact O-N 3.31Å; H285-D287 VanDerWaalsContact O-N 3.16Å
288	K	88.5	Confident	90.9	Very high	56 Å²	56	24 Å²	24	24%	0.243	13%	0.125	C	C	.	.	H	α-helix	trans	-74.6	-39.5	174.8	-65.2	-165.2	-176	-169.2	0	110.5	V250 D256 V284 H285 P286 K290 V291 L292	V250-K288 HydrophobicContact CG1-CG 4.32Å; D256-K288 VanDerWaalsContact OD1-CD 3.3Å; D256-K288 WeakPolarHBondContact OD1-CD 3.33Å; D256-K288 IonicContact OD1-NZ 3.29Å; D256-K288 PolarHBondContact OD1-NZ 2.89Å; D256-K288 IonicContact OD2-NZ 3.64Å; D256-K288 PolarHBondContact OD2-NZ 2.88Å; V284-K288 HydrophobicContact CG2-CB 4Å; H285-K288 HydrophobicContact CB-CG 4.35Å; H285-K288 PolarHBondContact O-N 3.49Å; P286-K288 VanDerWaalsContact C-N 3.34Å; P286-K288 PolarHBondContact O-N 2.9Å; K288-K290 VanDerWaalsContact C-N 3.26Å; K288-K290 PolarHBondContact O-N 3.44Å; K288-V291 PolarHBondContact O-N 3.28Å; K288-L292 WeakPolarHBondContact O-CB 3.47Å; K288-L292 PolarHBondContact O-N 3.33Å
289	L	90.3	Very high	91.1	Very high	1 Å²	1	24 Å²	24	1%	0.005	13%	0.125	C	C	.	.	H	α-helix	trans	-59.4	-37.6	176.3	-175.6	62.7	0	0	0	112	R275 V278 K279 V284 H285 P286 V291 L292 L293	R275-L289 HydrophobicContact CG-CD2 4.34Å; V278-L289 HydrophobicContact CG1-CD1 3.83Å; K279-L289 HydrophobicContact CD-CD2 4.37Å; K279-L289 HydrophobicContact CG-CD2 3.61Å; V284-L289 HydrophobicContact CG1-CB 3.95Å; V284-L289 HydrophobicContact CG1-CD1 3.99Å; V284-L289 HydrophobicContact CG1-CD2 4.26Å; V284-L289 HydrophobicContact CG1-CG 4.28Å; V284-L289 HydrophobicContact CG2-CB 4.41Å; H285-L289 PolarHBondContact O-N 2.75Å; P286-L289 PolarHBondContact O-N 2.69Å; L289-V291 PolarHBondContact O-N 3.08Å; L289-L292 PolarHBondContact O-N 2.9Å; L289-L293 HydrophobicContact CD1-CD1 3.71Å; L289-L293 HydrophobicContact CD1-CD2 4.31Å; L289-L293 HydrophobicContact CD1-CG 3.64Å; L289-L293 HydrophobicContact CD2-CD1 4.3Å; L289-L293 HydrophobicContact CG-CD1 3.71Å; L289-L293 HydrophobicContact CG-CG 4.13Å; L289-L293 PolarHBondContact O-N 3.48Å
290	K	89	Confident	91.3	Very high	38 Å²	38	22.5 Å²	22.5	17%	0.165	12%	0.118	C	C	.	.	H	α-helix	trans	-61.1	-23	175.3	-72.5	179.9	179.9	-162.1	0	114.2	P286 K288 P294 D526 Y527	P286-K290 WeakPolarHBondContact O-CG 3.41Å; P286-K290 PolarHBondContact O-N 3.03Å; P286-K290 VanDerWaalsContact O-N 3.1Å; K288-K290 VanDerWaalsContact C-N 3.26Å; K288-K290 PolarHBondContact O-N 3.44Å; K290-P294 WeakPolarHBondContact O-CD 3.25Å; K290-P294 WeakPolarHBondContact O-CG 3.35Å; K290-D526 HydrophobicContact CD-CB 4.36Å; K290-D526 WeakPolarHBondContact CE-OD1 3.43Å; K290-D526 WeakPolarHBondContact CE-OD2 3.43Å; K290-D526 IonicContact NZ-OD1 2.71Å; K290-D526 PolarHBondContact NZ-OD1 3.1Å; K290-D526 IonicContact NZ-OD2 3.84Å; K290-D526 PolarHBondContact NZ-OD2 3.24Å; K290-Y527 HydrophobicContact CB-CE1 4.24Å; K290-Y527 WeakPolarHBondContact O-CE1 3.4Å
291	V	91	Very high	91.4	Very high	16 Å²	16	24.6 Å²	24.6	10%	0.097	13%	0.129	C	C	.	.	H	α-helix	trans	-99.1	-34.6	177.5	-178	0	0	0	0	110.7	T246 W247 K288 L289	T246-V291 HydrophobicContact CG2-CG1 3.63Å; T246-V291 HydrophobicContact CG2-CG2 4.5Å; W247-V291 HydrophobicContact CB-CG1 4.3Å; W247-V291 HydrophobicContact CE3-CB 4.31Å; W247-V291 HydrophobicContact CE3-CG1 4.06Å; K288-V291 PolarHBondContact O-N 3.28Å; L289-V291 PolarHBondContact O-N 3.08Å
292	L	92.3	Very high	91.6	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-70.9	-41	-177.4	-178.2	55.5	0	0	0	113.1	W247 V259 E260 L263 K288 L289 F295 I296	W247-L292 HydrophobicContact CD2-CD1 3.87Å; W247-L292 HydrophobicContact CE3-CB 3.94Å; W247-L292 HydrophobicContact CE3-CD1 4.13Å; W247-L292 HydrophobicContact CH2-CB 3.99Å; W247-L292 HydrophobicContact CH2-CD1 3.83Å; W247-L292 HydrophobicContact CH2-CD2 4Å; W247-L292 HydrophobicContact CH2-CG 4.14Å; W247-L292 HydrophobicContact CZ2-CD1 3.55Å; W247-L292 HydrophobicContact CZ2-CD2 4.31Å; W247-L292 HydrophobicContact CZ2-CG 4.34Å; W247-L292 HydrophobicContact CZ3-CB 3.65Å; W247-L292 HydrophobicContact CZ3-CD1 4.11Å; W247-L292 HydrophobicContact CZ3-CG 4.28Å; V259-L292 HydrophobicContact CG1-CD2 3.8Å; E260-L292 HydrophobicContact CB-CD1 4.32Å; E260-L292 HydrophobicContact CG-CD1 4.11Å; L263-L292 HydrophobicContact CB-CD2 4.44Å; L263-L292 HydrophobicContact CD2-CD2 3.61Å; L263-L292 HydrophobicContact CD2-CG 3.65Å; K288-L292 WeakPolarHBondContact O-CB 3.47Å; K288-L292 PolarHBondContact O-N 3.33Å; L289-L292 PolarHBondContact O-N 2.9Å; L292-F295 HydrophobicContact CD1-CD1 4.3Å; L292-F295 WeakPolarHBondContact O-CB 3.3Å; L292-F295 PolarHBondContact O-N 2.91Å; L292-F295 VanDerWaalsContact O-N 3.14Å; L292-I296 HydrophobicContact CD1-CD1 3.49Å; L292-I296 VanDerWaalsContact CD1-CD1 3.49Å; L292-I296 HydrophobicContact CD1-CG1 4.26Å; L292-I296 HydrophobicContact CG-CD1 4.04Å; L292-I296 PolarHBondContact O-N 2.88Å
293	L	94.3	Very high	91.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.1	-51.2	179.8	-81.3	168.9	0	0	0	112.5	L263 F267 R275 L289 F295 I296 A297 W309	L263-L293 HydrophobicContact CD2-CD2 4.37Å; F267-L293 HydrophobicContact CE2-CD2 4.31Å; F267-L293 HydrophobicContact CZ-CD2 4.36Å; R275-L293 HydrophobicContact CG-CD1 4.34Å; L289-L293 HydrophobicContact CD1-CD1 3.71Å; L289-L293 HydrophobicContact CD1-CD2 4.31Å; L289-L293 HydrophobicContact CD1-CG 3.64Å; L289-L293 HydrophobicContact CD2-CD1 4.3Å; L289-L293 HydrophobicContact CG-CD1 3.71Å; L289-L293 HydrophobicContact CG-CG 4.13Å; L289-L293 PolarHBondContact O-N 3.48Å; L293-F295 PolarHBondContact O-N 3.47Å; L293-F295 VanDerWaalsContact O-N 3.07Å; L293-I296 PolarHBondContact O-N 3.19Å; L293-A297 PolarHBondContact O-N 3.1Å; L293-W309 HydrophobicContact CB-CD2 3.92Å; L293-W309 HydrophobicContact CB-CE3 3.87Å; L293-W309 HydrophobicContact CB-CH2 3.89Å; L293-W309 HydrophobicContact CB-CZ2 3.97Å; L293-W309 HydrophobicContact CB-CZ3 3.84Å; L293-W309 HydrophobicContact CD1-CD2 4.2Å; L293-W309 HydrophobicContact CD1-CG 4.42Å; L293-W309 HydrophobicContact CD1-CZ2 4.23Å; L293-W309 HydrophobicContact CD2-CB 4.32Å; L293-W309 HydrophobicContact CD2-CD2 3.97Å; L293-W309 HydrophobicContact CD2-CE3 4.39Å; L293-W309 HydrophobicContact CD2-CG 3.91Å; L293-W309 HydrophobicContact CG-CD2 4.24Å
294	P	94.6	Very high	92.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-54.7	-25.7	173.1	-30.5	36.8	0	0	0	115.3	H223 A225 A243 K290 W309 Y527	H223-P294 WeakPolarHBondContact O-CB 3.43Å; H223-P294 WeakPolarHBondContact O-CG 3.16Å; A225-P294 HydrophobicContact CB-CB 4.28Å; A225-P294 HydrophobicContact CB-CG 4.03Å; A243-P294 HydrophobicContact CB-CB 4.35Å; K290-P294 WeakPolarHBondContact O-CD 3.25Å; K290-P294 WeakPolarHBondContact O-CG 3.35Å; P294-W309 HydrophobicContact CG-CH2 4.08Å; P294-W309 HydrophobicContact CG-CZ3 4.41Å; P294-Y527 HydrophobicContact CG-CD1 3.74Å; P294-Y527 HydrophobicContact CG-CE1 3.82Å
295	F	94.7	Very high	92.5	Very high	29 Å²	29	21.1 Å²	21.1	13%	0.127	11%	0.111	C	C	.	.	H	α-helix	trans	-81.2	-24.6	179	175.6	-117.5	0	0	0	113.2	P239 A244 W247 E260 L292 L293	P239-F295 HydrophobicContact CB-CD2 4.29Å; P239-F295 HydrophobicContact CG-CD2 3.91Å; P239-F295 HydrophobicContact CG-CE2 4.2Å; P239-F295 WeakPolarHBondContact CG-O 3.39Å; A244-F295 HydrophobicContact CB-CD2 3.93Å; A244-F295 HydrophobicContact CB-CE2 3.75Å; W247-F295 HydrophobicContact CB-CB 4.16Å; W247-F295 HydrophobicContact CB-CD1 4.17Å; W247-F295 HydrophobicContact CB-CD2 4.43Å; W247-F295 HydrophobicContact CB-CG 3.99Å; W247-F295 AromaticContact CD1-CD1 3.34Å; W247-F295 AromaticContact CD1-CE1 3.38Å; W247-F295 HydrophobicContact CG-CB 4.41Å; W247-F295 AromaticContact CG-CD1 3.76Å; W247-F295 HydrophobicContact CG-CD1 3.76Å; W247-F295 HydrophobicContact CG-CE1 4.22Å; W247-F295 HydrophobicContact CG-CG 4.09Å; W247-F295 AromaticContact NE1-CD1 3.95Å; W247-F295 AromaticContact NE1-CE1 3.93Å; E260-F295 WeakPolarHBondContact OE1-CE1 3.38Å; L292-F295 HydrophobicContact CD1-CD1 4.3Å; L292-F295 WeakPolarHBondContact O-CB 3.3Å; L292-F295 PolarHBondContact O-N 2.91Å; L292-F295 VanDerWaalsContact O-N 3.14Å; L293-F295 PolarHBondContact O-N 3.47Å; L293-F295 VanDerWaalsContact O-N 3.07Å
296	I	95	Very high	92.8	Very high	9 Å²	9	20.5 Å²	20.5	5%	0.046	11%	0.105	C	C	.	.	H	α-helix	trans	-109.8	-26.7	-174.5	-70.4	171	0	0	0	113	E260 L263 R264 F267 L292 L293 F312	E260-I296 HydrophobicContact CG-CD1 4.17Å; L263-I296 HydrophobicContact CB-CD1 4.16Å; L263-I296 HydrophobicContact CD2-CD1 3.85Å; L263-I296 HydrophobicContact CG-CD1 4.06Å; R264-I296 HydrophobicContact CG-CD1 4.12Å; F267-I296 HydrophobicContact CD2-CG2 3.64Å; F267-I296 HydrophobicContact CE2-CG2 4.01Å; F267-I296 HydrophobicContact CG-CG2 4.24Å; L292-I296 HydrophobicContact CD1-CD1 3.49Å; L292-I296 VanDerWaalsContact CD1-CD1 3.49Å; L292-I296 HydrophobicContact CD1-CG1 4.26Å; L292-I296 HydrophobicContact CG-CD1 4.04Å; L292-I296 PolarHBondContact O-N 2.88Å; L293-I296 PolarHBondContact O-N 3.19Å; I296-F312 WeakPolarHBondContact O-CD2 2.87Å
297	A	97	Very high	93.2	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.5	159.9	-172.3	0	0	0	0	0	112.1	F267 L293 W309 I310 F312	F267-A297 HydrophobicContact CE1-CB 4.02Å; F267-A297 HydrophobicContact CE2-CB 4.4Å; F267-A297 HydrophobicContact CZ-CB 3.8Å; L293-A297 PolarHBondContact O-N 3.1Å; A297-W309 HydrophobicContact CB-CB 4.03Å; A297-W309 HydrophobicContact CB-CE3 3.87Å; A297-I310 CarbonylContact C-O 3.58Å; A297-I310 WeakPolarHBondContact CA-O 3.16Å; A297-I310 WeakPolarHBondContact CB-O 3.07Å; A297-F312 VanDerWaalsContact C-CZ 3.42Å; A297-F312 VanDerWaalsContact N-CE2 3.27Å; A297-F312 VanDerWaalsContact O-CZ 3.3Å; A297-F312 WeakPolarHBondContact O-CZ 3.49Å
298	Y	96.8	Very high	93.7	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.079	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	163.3	166.8	68.5	-88	0	0	0	110.3	V228 V235 P236 W309 I310 F312 Y314	V228-Y298 HydrophobicContact CB-CD2 3.96Å; V228-Y298 HydrophobicContact CB-CE2 4.14Å; V228-Y298 HydrophobicContact CG1-CE2 4.46Å; V228-Y298 HydrophobicContact CG2-CD2 3.49Å; V228-Y298 VanDerWaalsContact CG2-CD2 3.49Å; V228-Y298 HydrophobicContact CG2-CE2 3.97Å; V228-Y298 HydrophobicContact CG2-CG 4.24Å; V235-Y298 HydrophobicContact CB-CE1 4.22Å; V235-Y298 HydrophobicContact CG1-CE2 4.45Å; V235-Y298 WeakPolarHBondContact CG1-OH 3.39Å; P236-Y298 HydrophobicContact CG-CG 4.24Å; Y298-W309 WeakPolarHBondContact O-CA 3.43Å; Y298-I310 HydrophobicContact CD1-CB 4.23Å; Y298-I310 WeakPolarHBondContact CD1-O 3.36Å; Y298-I310 HydrophobicContact CD2-CB 4.41Å; Y298-I310 HydrophobicContact CE1-CB 3.69Å; Y298-I310 HydrophobicContact CE1-CG2 3.62Å; Y298-I310 HydrophobicContact CE2-CB 3.91Å; Y298-I310 HydrophobicContact CE2-CD1 3.73Å; Y298-I310 HydrophobicContact CE2-CG1 4.35Å; Y298-I310 HydrophobicContact CE2-CG2 4.39Å; Y298-I310 PolarHBondContact N-O 3.3Å; Y298-I310 PolarHBondContact O-N 3.32Å; Y298-I310 VanDerWaalsContact OH-CG2 3.29Å; Y298-I310 WeakPolarHBondContact OH-CG2 3.09Å; Y298-F312 AromaticContact CD1-CD1 4Å; Y298-F312 HydrophobicContact CD1-CD1 4Å; Y298-F312 HydrophobicContact CD1-CE1 4.36Å; Y298-Y314 PolarHBondContact OH-O 2.72Å
299	Y	95.7	Very high	94.1	Very high	1 Å²	1	12.9 Å²	12.9	0%	0.004	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	131.2	-176	-167.8	-98.3	0	0	0	111.2	I226 F227 V228 S307 W309 E523 I524	I226-Y299 PolarHBondContact O-N 2.92Å; F227-Y299 CarbonylContact C-O 3.52Å; F227-Y299 WeakPolarHBondContact CA-O 3.33Å; F227-Y299 AromaticContact CD1-CD1 3.75Å; F227-Y299 HydrophobicContact CD1-CD1 3.75Å; F227-Y299 HydrophobicContact CD1-CG 4.25Å; F227-Y299 AromaticContact CE1-CD1 3.92Å; F227-Y299 HydrophobicContact CE1-CD1 3.92Å; F227-Y299 HydrophobicContact CE1-CG 4.34Å; V228-Y299 PolarHBondContact N-O 2.89Å; Y299-S307 VanDerWaalsContact CZ-CA 3.47Å; Y299-S307 VanDerWaalsContact OH-CA 3.25Å; Y299-S307 WeakPolarHBondContact OH-CA 3.39Å; Y299-W309 AromaticContact CD2-CD1 3.93Å; Y299-W309 AromaticContact CD2-CD2 3.87Å; Y299-W309 HydrophobicContact CD2-CD2 3.87Å; Y299-W309 AromaticContact CD2-CE2 3.47Å; Y299-W309 VanDerWaalsContact CD2-CE2 3.47Å; Y299-W309 HydrophobicContact CD2-CE3 4.49Å; Y299-W309 HydrophobicContact CD2-CG 4.14Å; Y299-W309 HydrophobicContact CD2-CH2 4.45Å; Y299-W309 AromaticContact CD2-CZ2 3.78Å; Y299-W309 HydrophobicContact CD2-CZ2 3.78Å; Y299-W309 AromaticContact CD2-NE1 3.5Å; Y299-W309 HydrophobicContact CE2-CZ2 4.39Å; Y299-W309 AromaticContact CE2-NE1 3.61Å; Y299-W309 HydrophobicContact CG-CZ2 4.45Å; Y299-E523 VanDerWaalsContact CE2-CD 3.41Å; Y299-E523 HydrophobicContact CE2-CG 4.17Å; Y299-E523 WeakPolarHBondContact CE2-OE1 3.45Å; Y299-E523 WeakPolarHBondContact CE2-OE2 3.39Å; Y299-E523 VanDerWaalsContact OH-CD 3.31Å; Y299-E523 PolarHBondContact OH-OE2 3.09Å; Y299-I524 HydrophobicContact CD1-CG1 4.45Å; Y299-I524 HydrophobicContact CE1-CD1 4.24Å; Y299-I524 HydrophobicContact CE1-CG1 3.77Å
300	M	94.9	Very high	94.4	Very high	1 Å²	1	12.9 Å²	12.9	1%	0.005	7%	0.067	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.2	123.6	177.8	-162.2	72.2	153.8	0	0	110.6	V228 F230 T302 W305 R306 S307 L308 I310	V228-M300 HydrophobicContact CB-SD 4.08Å; V228-M300 HydrophobicContact CG1-SD 3.95Å; V228-M300 CarbonylContact O-C 3.58Å; V228-M300 WeakPolarHBondContact O-CA 3.2Å; F230-M300 HydrophobicContact CB-CE 4.26Å; F230-M300 HydrophobicContact CD2-CE 4.26Å; M300-T302 WeakPolarHBondContact CG-O 2.73Å; M300-W305 WeakPolarHBondContact CB-O 3.41Å; M300-W305 HydrophobicContact CG-CB 4.36Å; M300-R306 CarbonylContact O-C 3.6Å; M300-R306 WeakPolarHBondContact O-CA 3.34Å; M300-S307 PolarHBondContact O-N 3.3Å; M300-L308 PolarHBondContact N-O 2.97Å; M300-L308 VanDerWaalsContact N-O 3.15Å; M300-I310 HydrophobicContact CB-CD1 3.97Å; M300-I310 HydrophobicContact CG-CD1 4.45Å; M300-I310 HydrophobicContact SD-CD1 4.5Å
301	I	92.6	Very high	94.8	Very high	43 Å²	43	15.5 Å²	15.5	22%	0.221	8%	0.076	C	C	.	.			trans	-83.3	-51.2	179.5	-60.1	172.1	0	0	0	110.4	F227 V228 R306 M520	F227-I301 HydrophobicContact CB-CD1 3.49Å; F227-I301 VanDerWaalsContact CB-CD1 3.49Å; F227-I301 HydrophobicContact CB-CG1 3.88Å; F227-I301 HydrophobicContact CD1-CD1 4.33Å; F227-I301 HydrophobicContact CD1-CG1 4.1Å; F227-I301 HydrophobicContact CG-CD1 4.16Å; F227-I301 HydrophobicContact CG-CG1 4.39Å; V228-I301 PolarHBondContact O-N 3.14Å; I301-R306 WeakPolarHBondContact O-CB 3.21Å; I301-M520 HydrophobicContact CB-CE 4.2Å; I301-M520 HydrophobicContact CG2-CE 3.41Å; I301-M520 VanDerWaalsContact CG2-CE 3.41Å; I301-M520 WeakPolarHBondContact O-CE 3.41Å
302	T	93.3	Very high	95.1	Very high	40 Å²	40	16 Å²	16	25%	0.245	8%	0.077	C	C	.	.	S	Bend	trans	-115.6	169.3	-172.2	70.5	0	0	0	0	112.5	F230 M300 E443	F230-T302 WeakPolarHBondContact CB-OG1 3.41Å; F230-T302 PolarHBondContact N-OG1 3.16Å; M300-T302 WeakPolarHBondContact CG-O 2.73Å; T302-E443 PolarHBondContact OG1-OE1 3.4Å
303	G	93.7	Very high	95.3	Very high	13 Å²	13	18.2 Å²	18.2	13%	0.134	10%	0.1	C	C	.	.	S	Bend	trans	81.2	-164	176.6	0	0	0	0	0	116.1	W305 R306 E443	G303-W305 PolarHBondContact O-N 2.96Å; G303-R306 WeakPolarHBondContact O-CB 3.28Å; G303-R306 WeakPolarHBondContact O-CG 3.13Å; G303-R306 PolarHBondContact O-N 2.74Å; G303-R306 VanDerWaalsContact O-N 3.13Å; G303-E443 VanDerWaalsContact CA-O 3.29Å; G303-E443 WeakPolarHBondContact CA-O 3.49Å
304	P	95.4	Very high	95.4	Very high	7 Å²	7	20 Å²	20	5%	0.045	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-17	-169.9	-18.9	32.1	0	0	0	114.6	F230 Q326 V327 T442 E443 G446	F230-P304 VanDerWaalsContact CD2-CD 3.46Å; F230-P304 HydrophobicContact CE2-CG 4.15Å; P304-Q326 HydrophobicContact CB-CB 4.36Å; P304-Q326 HydrophobicContact CB-CG 3.74Å; P304-Q326 CarbonylContact O-C 3.57Å; P304-Q326 WeakPolarHBondContact O-CA 3.49Å; P304-V327 PolarHBondContact O-N 3.21Å; P304-T442 WeakPolarHBondContact CG-O 3.49Å; P304-E443 VanDerWaalsContact CD-O 3.25Å; P304-E443 WeakPolarHBondContact CD-O 3.41Å; P304-G446 VanDerWaalsContact CG-N 3.34Å
305	W	96.3	Very high	95.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.1	17.2	176.9	-58.7	-82.8	0	0	0	112.3	F230 I272 M300 G303 S307 L308 I310 P316 R317 A322 Q326 W447	F230-W305 HydrophobicContact CE2-CZ3 4.16Å; I272-W305 VanDerWaalsContact CD1-CD1 3.47Å; I272-W305 HydrophobicContact CD1-CG 4.16Å; M300-W305 WeakPolarHBondContact CB-O 3.41Å; M300-W305 HydrophobicContact CG-CB 4.36Å; G303-W305 PolarHBondContact O-N 2.96Å; W305-S307 PolarHBondContact O-N 3.13Å; W305-L308 HydrophobicContact CB-CD1 4.02Å; W305-L308 HydrophobicContact CG-CD1 4.46Å; W305-L308 VanDerWaalsContact O-CB 3.26Å; W305-L308 WeakPolarHBondContact O-CB 3.17Å; W305-L308 WeakPolarHBondContact O-CG 3.43Å; W305-L308 PolarHBondContact O-N 3.18Å; W305-I310 HydrophobicContact CB-CD1 4.35Å; W305-P316 HydrophobicContact CD2-CB 3.62Å; W305-P316 HydrophobicContact CD2-CG 3.7Å; W305-P316 HydrophobicContact CE3-CB 3.84Å; W305-P316 HydrophobicContact CE3-CG 3.63Å; W305-P316 HydrophobicContact CG-CB 4.24Å; W305-P316 HydrophobicContact CG-CG 4.18Å; W305-P316 HydrophobicContact CH2-CB 3.89Å; W305-P316 HydrophobicContact CH2-CG 4.46Å; W305-P316 WeakPolarHBondContact CH2-O 3.33Å; W305-P316 HydrophobicContact CZ2-CB 3.67Å; W305-P316 HydrophobicContact CZ3-CB 3.96Å; W305-P316 HydrophobicContact CZ3-CG 4.02Å; W305-R317 HydrophobicContact CZ3-CG 3.93Å; W305-A322 HydrophobicContact CZ2-CB 3.78Å; W305-A322 PolarHBondContact NE1-O 3.19Å; W305-A322 VanDerWaalsContact NE1-O 3.09Å; W305-Q326 HydrophobicContact CD2-CG 4.47Å; W305-Q326 HydrophobicContact CZ2-CG 3.82Å; W305-W447 AromaticContact CH2-CD1 3.57Å; W305-W447 AromaticContact CH2-NE1 3.6Å; W305-W447 AromaticContact CZ2-CD1 3.67Å; W305-W447 AromaticContact CZ2-NE1 3.97Å
306	R	93.9	Very high	95.6	Very high	59 Å²	59	19 Å²	19	22%	0.223	10%	0.103	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50	143.1	176	65.7	-179.6	-173.6	86.1	-11.8	111.3	M300 I301 G303 L308 V327 D329	M300-R306 CarbonylContact O-C 3.6Å; M300-R306 WeakPolarHBondContact O-CA 3.34Å; I301-R306 WeakPolarHBondContact O-CB 3.21Å; G303-R306 WeakPolarHBondContact O-CB 3.28Å; G303-R306 WeakPolarHBondContact O-CG 3.13Å; G303-R306 PolarHBondContact O-N 2.74Å; G303-R306 VanDerWaalsContact O-N 3.13Å; R306-L308 PolarHBondContact O-N 3.07Å; R306-V327 HydrophobicContact CG-CG1 3.71Å; R306-V327 WeakPolarHBondContact O-CG1 3.17Å; R306-D329 IonicContact NH2-OD2 3.74Å; R306-D329 PolarHBondContact NH2-OD2 3.25Å
307	S	92	Very high	95.6	Very high	12 Å²	12	20.1 Å²	20.1	8%	0.084	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.3	20.7	178.7	-36.1	0	0	0	0	115.2	Y299 M300 W305 M520	Y299-S307 VanDerWaalsContact CZ-CA 3.47Å; Y299-S307 VanDerWaalsContact OH-CA 3.25Å; Y299-S307 WeakPolarHBondContact OH-CA 3.39Å; M300-S307 PolarHBondContact O-N 3.3Å; W305-S307 PolarHBondContact O-N 3.13Å; S307-M520 VanDerWaalsContact OG-CB 3.26Å; S307-M520 WeakPolarHBondContact OG-CB 3.25Å; S307-M520 VanDerWaalsContact OG-CG 3.23Å; S307-M520 WeakPolarHBondContact OG-CG 3.39Å; S307-M520 PolarHBondContact OG-SD 3.33Å
308	L	95.8	Very high	95.4	Very high	2 Å²	2	26.8 Å²	26.8	1%	0.01	14%	0.135	C	C	.	.			trans	-116.6	148.5	176.4	-54.8	176.1	0	0	0	111	I272 M300 W305 R306 Y325 V327 Q418	I272-L308 HydrophobicContact CG2-CB 3.59Å; I272-L308 HydrophobicContact CG2-CD1 3.59Å; I272-L308 HydrophobicContact CG2-CG 4.18Å; M300-L308 PolarHBondContact N-O 2.97Å; M300-L308 VanDerWaalsContact N-O 3.15Å; W305-L308 HydrophobicContact CB-CD1 4.02Å; W305-L308 HydrophobicContact CG-CD1 4.46Å; W305-L308 VanDerWaalsContact O-CB 3.26Å; W305-L308 WeakPolarHBondContact O-CB 3.17Å; W305-L308 WeakPolarHBondContact O-CG 3.43Å; W305-L308 PolarHBondContact O-N 3.18Å; R306-L308 PolarHBondContact O-N 3.07Å; L308-Y325 WeakPolarHBondContact CD1-O 3.42Å; L308-V327 HydrophobicContact CD1-CB 4.21Å; L308-V327 HydrophobicContact CG-CB 4.46Å; L308-Q418 HydrophobicContact CD1-CG 4.11Å; L308-Q418 HydrophobicContact CD2-CG 3.85Å
309	W	97.3	Very high	95.3	Very high	0 Å²	0	29.8 Å²	29.8	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	127.4	170.7	-69.2	85.6	0	0	0	109.4	A225 F267 I272 W273 L293 P294 A297 Y298 Y299 E523 Y527	A225-W309 HydrophobicContact CB-CH2 4.05Å; F267-W309 HydrophobicContact CE1-CB 4.35Å; F267-W309 HydrophobicContact CZ-CB 3.93Å; I272-W309 WeakPolarHBondContact CA-O 3.31Å; W273-W309 PolarHBondContact N-O 3.01Å; W273-W309 PolarHBondContact O-N 3.34Å; L293-W309 HydrophobicContact CB-CD2 3.92Å; L293-W309 HydrophobicContact CB-CE3 3.87Å; L293-W309 HydrophobicContact CB-CH2 3.89Å; L293-W309 HydrophobicContact CB-CZ2 3.97Å; L293-W309 HydrophobicContact CB-CZ3 3.84Å; L293-W309 HydrophobicContact CD1-CD2 4.2Å; L293-W309 HydrophobicContact CD1-CG 4.42Å; L293-W309 HydrophobicContact CD1-CZ2 4.23Å; L293-W309 HydrophobicContact CD2-CB 4.32Å; L293-W309 HydrophobicContact CD2-CD2 3.97Å; L293-W309 HydrophobicContact CD2-CE3 4.39Å; L293-W309 HydrophobicContact CD2-CG 3.91Å; L293-W309 HydrophobicContact CG-CD2 4.24Å; P294-W309 HydrophobicContact CG-CH2 4.08Å; P294-W309 HydrophobicContact CG-CZ3 4.41Å; A297-W309 HydrophobicContact CB-CB 4.03Å; A297-W309 HydrophobicContact CB-CE3 3.87Å; Y298-W309 WeakPolarHBondContact O-CA 3.43Å; Y299-W309 AromaticContact CD2-CD1 3.93Å; Y299-W309 AromaticContact CD2-CD2 3.87Å; Y299-W309 HydrophobicContact CD2-CD2 3.87Å; Y299-W309 AromaticContact CD2-CE2 3.47Å; Y299-W309 VanDerWaalsContact CD2-CE2 3.47Å; Y299-W309 HydrophobicContact CD2-CE3 4.49Å; Y299-W309 HydrophobicContact CD2-CG 4.14Å; Y299-W309 HydrophobicContact CD2-CH2 4.45Å; Y299-W309 AromaticContact CD2-CZ2 3.78Å; Y299-W309 HydrophobicContact CD2-CZ2 3.78Å; Y299-W309 AromaticContact CD2-NE1 3.5Å; Y299-W309 HydrophobicContact CE2-CZ2 4.39Å; Y299-W309 AromaticContact CE2-NE1 3.61Å; Y299-W309 HydrophobicContact CG-CZ2 4.45Å; W309-E523 PolarHBondContact NE1-OE1 2.95Å; W309-Y527 HydrophobicContact CH2-CD1 4.15Å; W309-Y527 HydrophobicContact CH2-CD2 4.41Å; W309-Y527 AromaticContact CH2-CE1 3.87Å; W309-Y527 HydrophobicContact CH2-CE1 3.87Å; W309-Y527 HydrophobicContact CH2-CE2 4.22Å; W309-Y527 HydrophobicContact CH2-CG 4.43Å; W309-Y527 AromaticContact CH2-CZ 3.94Å; W309-Y527 HydrophobicContact CZ2-CD1 4.37Å; W309-Y527 HydrophobicContact CZ2-CD2 4.02Å; W309-Y527 AromaticContact CZ2-CE1 3.83Å; W309-Y527 HydrophobicContact CZ2-CE1 3.83Å; W309-Y527 AromaticContact CZ2-CE2 3.5Å; W309-Y527 HydrophobicContact CZ2-CE2 3.5Å; W309-Y527 HydrophobicContact CZ2-CG 4.47Å; W309-Y527 AromaticContact CZ2-CZ 3.39Å
310	I	97.7	Very high	95.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	131	-178	-56	165.7	0	0	0	109	P271 I272 A297 Y298 M300 W305 F312 Y314 P316	P271-I310 WeakPolarHBondContact O-CA 3.22Å; I272-I310 HydrophobicContact CB-CG1 4.48Å; I272-I310 HydrophobicContact CD1-CG1 4.34Å; I272-I310 HydrophobicContact CG1-CG1 4.08Å; I272-I310 HydrophobicContact CG1-CG2 4.2Å; I272-I310 HydrophobicContact CG2-CG1 3.93Å; A297-I310 CarbonylContact C-O 3.58Å; A297-I310 WeakPolarHBondContact CA-O 3.16Å; A297-I310 WeakPolarHBondContact CB-O 3.07Å; Y298-I310 HydrophobicContact CD1-CB 4.23Å; Y298-I310 WeakPolarHBondContact CD1-O 3.36Å; Y298-I310 HydrophobicContact CD2-CB 4.41Å; Y298-I310 HydrophobicContact CE1-CB 3.69Å; Y298-I310 HydrophobicContact CE1-CG2 3.62Å; Y298-I310 HydrophobicContact CE2-CB 3.91Å; Y298-I310 HydrophobicContact CE2-CD1 3.73Å; Y298-I310 HydrophobicContact CE2-CG1 4.35Å; Y298-I310 HydrophobicContact CE2-CG2 4.39Å; Y298-I310 PolarHBondContact N-O 3.3Å; Y298-I310 PolarHBondContact O-N 3.32Å; Y298-I310 VanDerWaalsContact OH-CG2 3.29Å; Y298-I310 WeakPolarHBondContact OH-CG2 3.09Å; M300-I310 HydrophobicContact CB-CD1 3.97Å; M300-I310 HydrophobicContact CG-CD1 4.45Å; M300-I310 HydrophobicContact SD-CD1 4.5Å; W305-I310 HydrophobicContact CB-CD1 4.35Å; I310-F312 PolarHBondContact O-N 2.92Å; I310-Y314 HydrophobicContact CG2-CD1 3.87Å; I310-Y314 WeakPolarHBondContact CG2-O 3.36Å; I310-P316 HydrophobicContact CD1-CG 3.88Å
311	R	97.5	Very high	95.2	Very high	94 Å²	94	38.4 Å²	38.4	36%	0.355	20%	0.2	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-55.7	135.9	176.5	-167.9	-179.3	68.3	146	2.7	110.5	F267 D268 P271 G313 Y314	F267-R311 HydrophobicContact CB-CB 4.3Å; F267-R311 HydrophobicContact CB-CG 4.2Å; F267-R311 HydrophobicContact CD1-CB 3.87Å; F267-R311 HydrophobicContact CG-CB 4.4Å; D268-R311 IonicContact OD1-CZ 3.68Å; D268-R311 IonicContact OD1-NH1 3.45Å; D268-R311 PolarHBondContact OD1-NH1 3.27Å; P271-R311 PolarHBondContact O-N 3.41Å; R311-G313 PolarHBondContact O-N 3.41Å; R311-Y314 WeakPolarHBondContact O-CB 3.22Å; R311-Y314 PolarHBondContact O-N 2.85Å; R311-Y314 VanDerWaalsContact O-N 3.14Å
312	F	97.4	Very high	95.3	Very high	25 Å²	25	36.4 Å²	36.4	11%	0.11	19%	0.19	C	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	138.9	176.2	-71.6	-61.1	0	0	0	112.8	I226 P236 K237 P239 I296 A297 Y298 I310 Y314	I226-F312 HydrophobicContact CD1-CE1 4.02Å; I226-F312 HydrophobicContact CD1-CZ 4.44Å; P236-F312 HydrophobicContact CB-CD1 3.85Å; P236-F312 HydrophobicContact CB-CE1 3.87Å; K237-F312 WeakPolarHBondContact O-CB 3.48Å; P239-F312 VanDerWaalsContact CA-CZ 3.46Å; P239-F312 HydrophobicContact CB-CE2 3.64Å; P239-F312 HydrophobicContact CB-CZ 3.84Å; P239-F312 HydrophobicContact CG-CE2 4.17Å; I296-F312 WeakPolarHBondContact O-CD2 2.87Å; A297-F312 VanDerWaalsContact C-CZ 3.42Å; A297-F312 VanDerWaalsContact N-CE2 3.27Å; A297-F312 VanDerWaalsContact O-CZ 3.3Å; A297-F312 WeakPolarHBondContact O-CZ 3.49Å; Y298-F312 AromaticContact CD1-CD1 4Å; Y298-F312 HydrophobicContact CD1-CD1 4Å; Y298-F312 HydrophobicContact CD1-CE1 4.36Å; I310-F312 PolarHBondContact O-N 2.92Å; F312-Y314 VanDerWaalsContact C-N 3.25Å; F312-Y314 PolarHBondContact O-N 3.03Å
313	G	95.5	Very high	95.4	Very high	47 Å²	47	34.7 Å²	34.7	49%	0.485	18%	0.179	S	C	.	.	T	Hydrogen-bonded Turn	trans	78.1	-4.1	-178.3	0	0	0	0	0	115.6	P236 R311	P236-G313 PolarHBondContact O-N 2.81Å; R311-G313 PolarHBondContact O-N 3.41Å
314	Y	96.8	Very high	95.5	Very high	37 Å²	37	36.5 Å²	36.5	15%	0.145	19%	0.185	C	C	.	.			trans	-96	121.1	171.7	-173.1	-98.2	0	0	0	110.5	P271 I272 Y298 I310 R311 F312 P316 A322	P271-Y314 HydrophobicContact CB-CD1 3.73Å; P271-Y314 HydrophobicContact CB-CD2 4.03Å; P271-Y314 HydrophobicContact CB-CE1 3.94Å; P271-Y314 HydrophobicContact CB-CE2 4.23Å; P271-Y314 HydrophobicContact CB-CG 3.77Å; P271-Y314 HydrophobicContact CG-CD1 4.04Å; P271-Y314 HydrophobicContact CG-CD2 4.27Å; P271-Y314 HydrophobicContact CG-CE1 3.69Å; P271-Y314 HydrophobicContact CG-CE2 3.94Å; P271-Y314 HydrophobicContact CG-CG 4.3Å; I272-Y314 HydrophobicContact CD1-CD1 4.47Å; I272-Y314 HydrophobicContact CD1-CE1 3.99Å; I272-Y314 HydrophobicContact CG1-CD1 4.29Å; I272-Y314 HydrophobicContact CG1-CE1 4.09Å; Y298-Y314 PolarHBondContact OH-O 2.72Å; I310-Y314 HydrophobicContact CG2-CD1 3.87Å; I310-Y314 WeakPolarHBondContact CG2-O 3.36Å; R311-Y314 WeakPolarHBondContact O-CB 3.22Å; R311-Y314 PolarHBondContact O-N 2.85Å; R311-Y314 VanDerWaalsContact O-N 3.14Å; F312-Y314 VanDerWaalsContact C-N 3.25Å; F312-Y314 PolarHBondContact O-N 3.03Å; Y314-P316 HydrophobicContact CE1-CB 4.15Å; Y314-A322 HydrophobicContact CE1-CB 4.19Å; Y314-A322 WeakPolarHBondContact OH-CB 3.18Å
315	D	96.3	Very high	95.6	Very high	9 Å²	9	38 Å²	38	5%	0.048	19%	0.19	C	C	.	.			trans	-106.8	110.4	174	-169	-21.4	0	0	0	109.8	V235 R317 K318 N319	V235-D315 HydrophobicContact CG1-CB 3.9Å; V235-D315 HydrophobicContact CG2-CB 3.82Å; D315-R317 VanDerWaalsContact C-N 3.25Å; D315-R317 PolarHBondContact O-N 3.17Å; D315-R317 VanDerWaalsContact OD1-CB 3.31Å; D315-R317 WeakPolarHBondContact OD1-CB 3.34Å; D315-R317 IonicContact OD1-CZ 2.7Å; D315-R317 PolarHBondContact OD1-N 2.94Å; D315-R317 IonicContact OD1-NE 3.84Å; D315-R317 PolarHBondContact OD1-NE 3.22Å; D315-R317 IonicContact OD1-NH2 3.68Å; D315-R317 IonicContact OD2-CZ 2.94Å; D315-R317 IonicContact OD2-NE 3.15Å; D315-R317 IonicContact OD2-NH2 3.49Å; D315-R317 PolarHBondContact OD2-NH2 2.84Å; D315-K318 HydrophobicContact CB-CB 4.5Å; D315-K318 HydrophobicContact CB-CD 4.3Å; D315-K318 HydrophobicContact CB-CG 4.39Å; D315-K318 PolarHBondContact O-N 3.31Å; D315-K318 WeakPolarHBondContact OD2-CE 3.49Å; D315-K318 IonicContact OD2-NZ 3.27Å; D315-N319 PolarHBondContact O-ND2 3.45Å
316	P	96.3	Very high	95.6	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	19%	0.192	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-20.1	-179.3	31.5	-37.5	0	0	0	113.5	I272 W305 I310 Y314 K318 N319 A322 W447	I272-P316 HydrophobicContact CD1-CB 3.78Å; I272-P316 HydrophobicContact CD1-CG 4.35Å; W305-P316 HydrophobicContact CD2-CB 3.62Å; W305-P316 HydrophobicContact CD2-CG 3.7Å; W305-P316 HydrophobicContact CE3-CB 3.84Å; W305-P316 HydrophobicContact CE3-CG 3.63Å; W305-P316 HydrophobicContact CG-CB 4.24Å; W305-P316 HydrophobicContact CG-CG 4.18Å; W305-P316 HydrophobicContact CH2-CB 3.89Å; W305-P316 HydrophobicContact CH2-CG 4.46Å; W305-P316 WeakPolarHBondContact CH2-O 3.33Å; W305-P316 HydrophobicContact CZ2-CB 3.67Å; W305-P316 HydrophobicContact CZ3-CB 3.96Å; W305-P316 HydrophobicContact CZ3-CG 4.02Å; I310-P316 HydrophobicContact CD1-CG 3.88Å; Y314-P316 HydrophobicContact CE1-CB 4.15Å; P316-K318 VanDerWaalsContact C-N 3.28Å; P316-K318 PolarHBondContact O-N 3.1Å; P316-N319 PolarHBondContact O-N 3.26Å; P316-A322 HydrophobicContact CB-CB 3.57Å; P316-W447 PolarHBondContact O-NE1 3.09Å
317	R	94.9	Very high	95.7	Very high	33 Å²	33	36.8 Å²	36.8	13%	0.125	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.1	-17.8	-178.6	-57.1	166.5	-64.4	-178.3	9	113.1	F230 D232 W305 D315 W447	F230-R317 HydrophobicContact CD2-CG 4.12Å; F230-R317 HydrophobicContact CE2-CG 3.8Å; F230-R317 HydrophobicContact CZ-CG 4.38Å; F230-R317 WeakPolarHBondContact O-CD 3.26Å; F230-R317 PolarHBondContact O-NH1 3.33Å; D232-R317 PolarHBondContact O-NH1 3.24Å; D232-R317 PolarHBondContact O-NH2 3.02Å; W305-R317 HydrophobicContact CZ3-CG 3.93Å; D315-R317 VanDerWaalsContact C-N 3.25Å; D315-R317 PolarHBondContact O-N 3.17Å; D315-R317 VanDerWaalsContact OD1-CB 3.31Å; D315-R317 WeakPolarHBondContact OD1-CB 3.34Å; D315-R317 IonicContact OD1-CZ 2.7Å; D315-R317 PolarHBondContact OD1-N 2.94Å; D315-R317 IonicContact OD1-NE 3.84Å; D315-R317 PolarHBondContact OD1-NE 3.22Å; D315-R317 IonicContact OD1-NH2 3.68Å; D315-R317 IonicContact OD2-CZ 2.94Å; D315-R317 IonicContact OD2-NE 3.15Å; D315-R317 IonicContact OD2-NH2 3.49Å; D315-R317 PolarHBondContact OD2-NH2 2.84Å; R317-W447 WeakPolarHBondContact O-CZ2 3.49Å
318	K	93.6	Very high	95.9	Very high	139 Å²	139	36.3 Å²	36.3	60%	0.604	19%	0.185	S	C	*	.	S	Bend	trans	-100.7	-9.4	178.1	-61	179.3	-176.4	170.2	0	112.6	D315 P316	D315-K318 HydrophobicContact CB-CB 4.5Å; D315-K318 HydrophobicContact CB-CD 4.3Å; D315-K318 HydrophobicContact CB-CG 4.39Å; D315-K318 PolarHBondContact O-N 3.31Å; D315-K318 WeakPolarHBondContact OD2-CE 3.49Å; D315-K318 IonicContact OD2-NZ 3.27Å; P316-K318 VanDerWaalsContact C-N 3.28Å; P316-K318 PolarHBondContact O-N 3.1Å
319	N	93.9	Very high	95.7	Very high	64 Å²	64	37 Å²	37	34%	0.342	19%	0.189	S	C	.	.			trans	-120.8	104.1	-173.3	-70	-56.7	0	0	0	110.9	D315 P316 N321 A322 W447	D315-N319 PolarHBondContact O-ND2 3.45Å; P316-N319 PolarHBondContact O-N 3.26Å; N319-N321 PolarHBondContact O-N 2.68Å; N319-N321 VanDerWaalsContact O-N 3.13Å; N319-A322 WeakPolarHBondContact O-CB 3.42Å; N319-A322 PolarHBondContact O-N 3.04Å; N319-W447 PolarHBondContact O-NE1 2.86Å
320	P	94.6	Very high	95.4	Very high	44 Å²	44	37 Å²	37	29%	0.286	19%	0.189	S	C	.	.	G	3₁₀ helix	trans	-53.5	-32.7	175.9	-31.7	38.1	0	0	0	114.8	A322 K323 E438 W447	P320-A322 PolarHBondContact O-N 3.44Å; P320-K323 WeakPolarHBondContact O-CB 3.29Å; P320-K323 PolarHBondContact O-N 3.26Å; P320-E438 HydrophobicContact CB-CB 3.83Å; P320-E438 HydrophobicContact CB-CG 4.29Å; P320-E438 HydrophobicContact CG-CB 4.38Å; P320-W447 HydrophobicContact CB-CD2 4.45Å; P320-W447 HydrophobicContact CG-CE3 4.37Å; P320-W447 HydrophobicContact CG-CH2 3.86Å; P320-W447 HydrophobicContact CG-CZ2 4.05Å; P320-W447 HydrophobicContact CG-CZ3 4.03Å
321	N	93.9	Very high	95	Very high	139 Å²	139	43 Å²	43	74%	0.743	21%	0.211	S	C	*	.	G	3₁₀ helix	trans	-59.7	-16.9	175.9	-65.1	-19.1	0	0	0	113.4	N319 K323	N319-N321 PolarHBondContact O-N 2.68Å; N319-N321 VanDerWaalsContact O-N 3.13Å; N321-K323 PolarHBondContact O-N 3.11Å
322	A	95.6	Very high	94.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-74.2	-8.1	174.6	0	0	0	0	0	113.7	I272 W305 Y314 P316 N319 P320 I324 Y325	I272-A322 HydrophobicContact CD1-CB 4.41Å; W305-A322 HydrophobicContact CZ2-CB 3.78Å; W305-A322 PolarHBondContact NE1-O 3.19Å; W305-A322 VanDerWaalsContact NE1-O 3.09Å; Y314-A322 HydrophobicContact CE1-CB 4.19Å; Y314-A322 WeakPolarHBondContact OH-CB 3.18Å; P316-A322 HydrophobicContact CB-CB 3.57Å; N319-A322 WeakPolarHBondContact O-CB 3.42Å; N319-A322 PolarHBondContact O-N 3.04Å; P320-A322 PolarHBondContact O-N 3.44Å; A322-I324 VanDerWaalsContact C-N 3.29Å; A322-I324 PolarHBondContact O-N 3.01Å; A322-Y325 WeakPolarHBondContact O-CB 3.39Å; A322-Y325 PolarHBondContact O-N 2.88Å
323	K	95.9	Very high	93.3	Very high	4 Å²	4	44.2 Å²	44.2	2%	0.017	22%	0.217	C	C	.	.	G	3₁₀ helix	trans	-49.6	-48.1	179.3	-175.8	175.1	73.7	-179.4	0	112.2	P320 N321 Y325 Q326 N434 D435 E438 W447	P320-K323 WeakPolarHBondContact O-CB 3.29Å; P320-K323 PolarHBondContact O-N 3.26Å; N321-K323 PolarHBondContact O-N 3.11Å; K323-Y325 PolarHBondContact O-N 3.02Å; K323-Y325 VanDerWaalsContact O-N 3.1Å; K323-Q326 WeakPolarHBondContact O-CB 3.28Å; K323-Q326 VanDerWaalsContact O-CG 3.22Å; K323-Q326 WeakPolarHBondContact O-CG 3.39Å; K323-Q326 PolarHBondContact O-N 2.97Å; K323-Q326 VanDerWaalsContact O-N 3.15Å; K323-N434 PolarHBondContact NZ-OD1 3.41Å; K323-D435 WeakPolarHBondContact CE-OD1 3.43Å; K323-D435 IonicContact NZ-OD1 2.69Å; K323-D435 PolarHBondContact NZ-OD1 3.37Å; K323-E438 HydrophobicContact CD-CG 4.04Å; K323-E438 WeakPolarHBondContact CE-OE1 3.3Å; K323-E438 IonicContact NZ-OE1 2.85Å; K323-E438 PolarHBondContact NZ-OE1 3.35Å; K323-W447 HydrophobicContact CB-CB 3.76Å; K323-W447 HydrophobicContact CB-CG 4.42Å; K323-W447 HydrophobicContact CD-CB 4.03Å; K323-W447 HydrophobicContact CG-CB 3.83Å
324	I	95.8	Very high	91.9	Very high	52 Å²	52	42.6 Å²	42.6	27%	0.267	20%	0.198	S	C	.	.	G	3₁₀ helix	trans	-65.3	-16.1	-178.2	64	169.3	0	0	0	113.4	A322 L419 C420	A322-I324 VanDerWaalsContact C-N 3.29Å; A322-I324 PolarHBondContact O-N 3.01Å; I324-L419 CarbonylContact O-C 3.51Å; I324-L419 WeakPolarHBondContact O-CB 3.35Å; I324-L419 PolarHBondContact O-N 2.98Å; I324-C420 HydrophobicContact CB-CB 4.17Å; I324-C420 HydrophobicContact CD1-CB 4.4Å; I324-C420 HydrophobicContact CG1-CB 4.45Å; I324-C420 WeakPolarHBondContact O-CB 3.03Å; I324-C420 PolarHBondContact O-N 2.98Å
325	Y	97	Very high	90.3	Very high	37 Å²	37	42.1 Å²	42.1	15%	0.145	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-95	-1.2	-179.8	-57.4	-48.2	0	0	0	113.7	R270 P271 I272 L308 A322 K323 Q418	R270-Y325 HydrophobicContact CB-CE1 4.42Å; R270-Y325 HydrophobicContact CG-CD1 4.06Å; R270-Y325 HydrophobicContact CG-CE1 3.63Å; P271-Y325 HydrophobicContact CG-CD2 4.31Å; P271-Y325 HydrophobicContact CG-CE2 3.86Å; I272-Y325 HydrophobicContact CB-CD2 4.48Å; I272-Y325 HydrophobicContact CB-CG 4.25Å; I272-Y325 HydrophobicContact CD1-CD2 4.15Å; I272-Y325 HydrophobicContact CD1-CG 4.38Å; I272-Y325 HydrophobicContact CG1-CD2 4.26Å; I272-Y325 HydrophobicContact CG1-CG 4.48Å; L308-Y325 WeakPolarHBondContact CD1-O 3.42Å; A322-Y325 WeakPolarHBondContact O-CB 3.39Å; A322-Y325 PolarHBondContact O-N 2.88Å; K323-Y325 PolarHBondContact O-N 3.02Å; K323-Y325 VanDerWaalsContact O-N 3.1Å; Y325-Q418 PolarHBondContact O-NE2 3.34Å
326	Q	96.6	Very high	88.6	Confident	11 Å²	11	48.9 Å²	48.9	5%	0.051	24%	0.237	C	C	.	.			trans	-58.1	149.3	175.9	-69.3	178	-155.6	0	0	111.2	P304 W305 K323 Q418 L419 D445	P304-Q326 HydrophobicContact CB-CB 4.36Å; P304-Q326 HydrophobicContact CB-CG 3.74Å; P304-Q326 CarbonylContact O-C 3.57Å; P304-Q326 WeakPolarHBondContact O-CA 3.49Å; W305-Q326 HydrophobicContact CD2-CG 4.47Å; W305-Q326 HydrophobicContact CZ2-CG 3.82Å; K323-Q326 WeakPolarHBondContact O-CB 3.28Å; K323-Q326 VanDerWaalsContact O-CG 3.22Å; K323-Q326 WeakPolarHBondContact O-CG 3.39Å; K323-Q326 PolarHBondContact O-N 2.97Å; K323-Q326 VanDerWaalsContact O-N 3.15Å; Q326-Q418 CarbonylContact O-C 3.56Å; Q326-Q418 VanDerWaalsContact O-CA 3.25Å; Q326-Q418 WeakPolarHBondContact O-CA 3.19Å; Q326-L419 HydrophobicContact CB-CD1 3.92Å; Q326-L419 HydrophobicContact CB-CG 4.15Å; Q326-L419 PolarHBondContact O-N 2.91Å; Q326-D445 PolarHBondContact NE2-O 2.73Å
327	V	95.8	Very high	86.8	Confident	24 Å²	24	58.5 Å²	58.5	15%	0.145	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	140.2	179.2	74.3	0	0	0	0	111.6	P304 R306 L308 F416 Y417	P304-V327 PolarHBondContact O-N 3.21Å; R306-V327 HydrophobicContact CG-CG1 3.71Å; R306-V327 WeakPolarHBondContact O-CG1 3.17Å; L308-V327 HydrophobicContact CD1-CB 4.21Å; L308-V327 HydrophobicContact CG-CB 4.46Å; V327-F416 HydrophobicContact CG2-CB 4.04Å; V327-F416 HydrophobicContact CG2-CD1 4.29Å; V327-Y417 CarbonylContact C-O 3.47Å; V327-Y417 WeakPolarHBondContact CA-O 3.34Å
328	L	95.1	Very high	85.2	Confident	1 Å²	1	61.7 Å²	61.7	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	111.1	170.8	-175.4	70.5	0	0	0	109.2	F330 Y417 L419 L422 L456 R457 M460	L328-F330 PolarHBondContact O-N 2.92Å; L328-Y417 PolarHBondContact N-O 3.06Å; L328-Y417 PolarHBondContact O-N 3.29Å; L328-L419 HydrophobicContact CB-CD2 4.25Å; L328-L422 HydrophobicContact CD2-CD1 3.98Å; L328-L456 HydrophobicContact CD1-CB 4.3Å; L328-L456 HydrophobicContact CD1-CD1 4.48Å; L328-L456 HydrophobicContact CD2-CB 3.9Å; L328-L456 HydrophobicContact CD2-CD1 4.37Å; L328-R457 HydrophobicContact CD1-CG 4.16Å; L328-M460 HydrophobicContact CD2-SD 3.69Å
329	D	92.4	Very high	83.6	Confident	16 Å²	16	58.1 Å²	58.1	9%	0.086	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	106.6	167	-174.9	-19.5	0	0	0	108.8	R306 R331 F416 R457	R306-D329 IonicContact NH2-OD2 3.74Å; R306-D329 PolarHBondContact NH2-OD2 3.25Å; D329-R331 IonicContact OD1-NE 2.92Å; D329-R331 PolarHBondContact OD1-NE 3.46Å; D329-R331 IonicContact OD2-NE 2.96Å; D329-R331 IonicContact OD2-NH2 3.59Å; D329-R331 PolarHBondContact OD2-NH2 2.94Å; D329-F416 HydrophobicContact CB-CD1 4Å; D329-F416 HydrophobicContact CB-CE1 3.78Å; D329-F416 VanDerWaalsContact CG-CE1 3.47Å; D329-F416 WeakPolarHBondContact OD2-CE1 3.34Å; D329-R457 PolarHBondContact O-NE 3.09Å
330	F	91.2	Very high	82.2	Confident	1 Å²	1	55.7 Å²	55.7	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.1	179.9	-179.9	-99.8	0	0	0	110.2	L328 I332 Q414 M415 Y417 R457 M460 I464	L328-F330 PolarHBondContact O-N 2.92Å; F330-I332 HydrophobicContact CE1-CG1 3.86Å; F330-I332 HydrophobicContact CZ-CG1 4.49Å; F330-Q414 WeakPolarHBondContact O-CA 3.34Å; F330-M415 PolarHBondContact N-O 3.38Å; F330-M415 PolarHBondContact O-N 3.43Å; F330-Y417 HydrophobicContact CB-CD2 4.15Å; F330-Y417 HydrophobicContact CB-CE2 4.35Å; F330-Y417 HydrophobicContact CD1-CE2 4.43Å; F330-R457 HydrophobicContact CD2-CG 4.35Å; F330-M460 HydrophobicContact CB-CE 4.32Å; F330-M460 HydrophobicContact CD1-CE 4.05Å; F330-M460 HydrophobicContact CD2-CB 3.86Å; F330-M460 HydrophobicContact CD2-CE 3.99Å; F330-M460 HydrophobicContact CD2-SD 3.93Å; F330-M460 HydrophobicContact CE1-CE 4.44Å; F330-M460 HydrophobicContact CE2-CB 3.4Å; F330-M460 VanDerWaalsContact CE2-CB 3.4Å; F330-M460 HydrophobicContact CE2-CE 4.41Å; F330-M460 HydrophobicContact CE2-CG 4.49Å; F330-M460 HydrophobicContact CE2-SD 4.44Å; F330-M460 HydrophobicContact CG-CE 3.82Å; F330-M460 HydrophobicContact CG-SD 4.25Å; F330-M460 HydrophobicContact CZ-CB 3.94Å; F330-I464 HydrophobicContact CE1-CD1 3.37Å; F330-I464 HydrophobicContact CZ-CD1 3.47Å; F330-I464 VanDerWaalsContact CZ-CD1 3.47Å
331	R	88.2	Confident	80.6	Confident	125 Å²	125	55.1 Å²	55.1	47%	0.472	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	128.9	175.7	-60.9	-175.7	-168	-167.3	2.9	109.6	D329 R333 R413 Q414	D329-R331 IonicContact OD1-NE 2.92Å; D329-R331 PolarHBondContact OD1-NE 3.46Å; D329-R331 IonicContact OD2-NE 2.96Å; D329-R331 IonicContact OD2-NH2 3.59Å; D329-R331 PolarHBondContact OD2-NH2 2.94Å; R331-R333 PolarHBondContact O-N 3.46Å; R331-R413 WeakPolarHBondContact CA-O 3.25Å; R331-Q414 HydrophobicContact CG-CB 4.16Å; R331-Q414 HydrophobicContact CG-CG 3.87Å; R331-Q414 VanDerWaalsContact NH2-NE2 3.14Å
332	I	84.1	Confident	78.9	Confident	22 Å²	22	50.8 Å²	50.8	11%	0.113	26%	0.263	C	S	.	.			trans	-63.8	120.3	179	-61.6	178.5	0	0	0	109.4	F330 C334 L345 V347 P410 R413	F330-I332 HydrophobicContact CE1-CG1 3.86Å; F330-I332 HydrophobicContact CZ-CG1 4.49Å; I332-C334 VanDerWaalsContact C-N 3.27Å; I332-C334 HydrophobicContact CG2-CB 3.73Å; I332-C334 PolarHBondContact O-N 3.2Å; I332-L345 HydrophobicContact CG2-CD2 4.25Å; I332-V347 HydrophobicContact CD1-CB 3.75Å; I332-V347 HydrophobicContact CD1-CG1 3.67Å; I332-V347 HydrophobicContact CD1-CG2 3.82Å; I332-P410 HydrophobicContact CD1-CG 3.63Å; I332-P410 HydrophobicContact CG1-CG 4.16Å; I332-R413 HydrophobicContact CD1-CB 4.48Å; I332-R413 HydrophobicContact CD1-CG 4.39Å; I332-R413 PolarHBondContact N-O 2.93Å
333	R	76.1	Confident	77.2	Confident	123 Å²	123	55.3 Å²	55.3	46%	0.464	29%	0.294	S	S	.	.			trans	-91.9	46.5	177.1	-58.1	-174.5	-176.9	-179.5	3.3	112.2	R331 H338 D458	R331-R333 PolarHBondContact O-N 3.46Å; R333-H338 PolarHBondContact O-CE1 3.06Å; R333-H338 PolarHBondContact O-ND1 3.23Å; R333-H338 VanDerWaalsContact O-ND1 3.13Å; R333-D458 IonicContact CZ-OD1 3.44Å; R333-D458 IonicContact NH1-OD1 2.77Å; R333-D458 PolarHBondContact NH1-OD1 3.2Å
334	C	65.9	Low	75.7	Confident	13 Å²	13	56.9 Å²	56.9	9%	0.088	30%	0.303	C	S	.	.			trans	-116.6	115.4	175.5	-60.6	0	0	0	0	107.2	I332 Y340 L345	I332-C334 VanDerWaalsContact C-N 3.27Å; I332-C334 HydrophobicContact CG2-CB 3.73Å; I332-C334 PolarHBondContact O-N 3.2Å; C334-Y340 HydrophobicContact CB-CD2 3.96Å; C334-Y340 HydrophobicContact CB-CE2 4.19Å; C334-Y340 HydrophobicContact CB-CG 4.28Å; C334-L345 HydrophobicContact CB-CD1 4.29Å; C334-L345 HydrophobicContact CB-CD2 3.46Å; C334-L345 VanDerWaalsContact CB-CD2 3.46Å; C334-L345 HydrophobicContact CB-CG 4.3Å; C334-L345 WeakPolarHBondContact O-CD1 3.43Å
335	G	62.9	Low	74.6	Confident	27 Å²	27	55 Å²	55	28%	0.278	29%	0.293	S	S	.	.	S	Bend	trans	-161.3	-172.3	179.9	0	0	0	0	0	109.3	K337 H338 Y340	G335-K337 PolarHBondContact O-N 3.33Å; G335-H338 WeakPolarHBondContact O-CA 3.44Å; G335-H338 PolarHBondContact O-N 2.89Å; G335-Y340 CarbonylContact C-O 3.49Å; G335-Y340 VanDerWaalsContact C-O 3.28Å; G335-Y340 PolarHBondContact O-N 2.95Å
336	M	60.5	Low	73.6	Confident	151 Å²	151	55.7 Å²	55.7	74%	0.744	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-50.8	-37.3	-172.3	-151.2	91.9	98.5	0	0	113.6	H338 G339 Y340	M336-H338 PolarHBondContact O-N 2.89Å; M336-H338 VanDerWaalsContact O-N 3.14Å; M336-G339 PolarHBondContact O-N 3.47Å; M336-Y340 WeakPolarHBondContact CA-O 3.34Å; M336-Y340 PolarHBondContact N-O 3.32Å
337	K	59.5	Low	72.8	Confident	203 Å²	203	55.2 Å²	55.2	88%	0.883	30%	0.3	S	S	*	.	G	3₁₀ helix	trans	-60.8	-21.5	177.8	-63.9	-173.2	178.4	-176.4	0	114.3	G335	G335-K337 PolarHBondContact O-N 3.33Å
338	H	59.8	Low	72	Confident	100 Å²	100	62.1 Å²	62.1	46%	0.463	33%	0.328	S	S	.	.	G	3₁₀ helix	trans	-109.8	14.9	179.3	-58.9	99.8	0	0	0	112	R333 G335 M336 Y340	R333-H338 PolarHBondContact O-CE1 3.06Å; R333-H338 PolarHBondContact O-ND1 3.23Å; R333-H338 VanDerWaalsContact O-ND1 3.13Å; G335-H338 WeakPolarHBondContact O-CA 3.44Å; G335-H338 PolarHBondContact O-N 2.89Å; M336-H338 PolarHBondContact O-N 2.89Å; M336-H338 VanDerWaalsContact O-N 3.14Å; H338-Y340 HydrophobicContact CB-CD2 3.98Å; H338-Y340 HydrophobicContact CB-CE2 4.2Å; H338-Y340 VanDerWaalsContact O-CD2 3.32Å; H338-Y340 WeakPolarHBondContact O-CD2 3.35Å; H338-Y340 WeakPolarHBondContact O-CE2 3.32Å
339	G	59.9	Low	70.9	Confident	64 Å²	64	63.6 Å²	63.6	66%	0.66	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.7	14.3	176.4	0	0	0	0	0	115.4	M336	M336-G339 PolarHBondContact O-N 3.47Å
340	Y	64.8	Low	69.6	Low	12 Å²	12	65.2 Å²	65.2	5%	0.047	35%	0.347	C	S	.	.			trans	-102.7	120.7	176.7	-63.8	-92.1	0	0	0	110.5	C334 G335 M336 H338 D344 I468 F476	C334-Y340 HydrophobicContact CB-CD2 3.96Å; C334-Y340 HydrophobicContact CB-CE2 4.19Å; C334-Y340 HydrophobicContact CB-CG 4.28Å; G335-Y340 CarbonylContact C-O 3.49Å; G335-Y340 VanDerWaalsContact C-O 3.28Å; G335-Y340 PolarHBondContact O-N 2.95Å; M336-Y340 WeakPolarHBondContact CA-O 3.34Å; M336-Y340 PolarHBondContact N-O 3.32Å; H338-Y340 HydrophobicContact CB-CD2 3.98Å; H338-Y340 HydrophobicContact CB-CE2 4.2Å; H338-Y340 VanDerWaalsContact O-CD2 3.32Å; H338-Y340 WeakPolarHBondContact O-CD2 3.35Å; H338-Y340 WeakPolarHBondContact O-CE2 3.32Å; Y340-D344 HydrophobicContact CD1-CB 4.3Å; Y340-I468 HydrophobicContact CE1-CG2 3.87Å; Y340-F476 HydrophobicContact CD1-CZ 4.45Å; Y340-F476 HydrophobicContact CE1-CE1 4.4Å; Y340-F476 HydrophobicContact CE1-CE2 4.34Å; Y340-F476 AromaticContact CE1-CZ 3.51Å; Y340-F476 HydrophobicContact CE1-CZ 3.51Å; Y340-F476 AromaticContact CZ-CZ 3.61Å; Y340-F476 WeakPolarHBondContact OH-CZ 2.97Å
341	A	61.8	Low	67.9	Low	32 Å²	32	69.9 Å²	69.9	26%	0.264	36%	0.364	S	S	.	.			trans	-68.7	161.2	164.5	0	0	0	0	0	110.4	S343 D344	A341-S343 PolarHBondContact O-N 2.91Å; A341-D344 WeakPolarHBondContact CA-OD2 3.41Å; A341-D344 WeakPolarHBondContact CB-OD2 3.35Å; A341-D344 PolarHBondContact N-OD2 3.47Å; A341-D344 WeakPolarHBondContact O-CB 3.49Å; A341-D344 PolarHBondContact O-N 3.32Å
342	P	57.3	Low	66.2	Low	49 Å²	49	66.4 Å²	66.4	32%	0.318	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-30	-176.4	-24.4	37.5	0	0	0	114.3	Y354 R413	P342-Y354 HydrophobicContact CB-CE2 3.6Å; P342-Y354 WeakPolarHBondContact CB-OH 3.5Å; P342-Y354 HydrophobicContact CG-CE1 4.3Å; P342-Y354 HydrophobicContact CG-CE2 3.98Å; P342-Y354 VanDerWaalsContact CG-CZ 3.49Å; P342-Y354 WeakPolarHBondContact CG-OH 3.4Å; P342-R413 PolarHBondContact O-NH2 3.03Å; P342-R413 VanDerWaalsContact O-NH2 3.16Å
343	S	60	Low	64.5	Low	95 Å²	95	69 Å²	69	66%	0.664	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76	-24.2	174.7	42.7	0	0	0	0	113.5	A341 L345	A341-S343 PolarHBondContact O-N 2.91Å; S343-L345 VanDerWaalsContact C-N 3.26Å; S343-L345 PolarHBondContact O-N 3.37Å
344	D	65.8	Low	63	Low	36 Å²	36	69.5 Å²	69.5	19%	0.193	38%	0.379	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-20	-174.7	-62.7	-20	0	0	0	113.1	Y340 A341 P346 R472 L475	Y340-D344 HydrophobicContact CD1-CB 4.3Å; A341-D344 WeakPolarHBondContact CA-OD2 3.41Å; A341-D344 WeakPolarHBondContact CB-OD2 3.35Å; A341-D344 PolarHBondContact N-OD2 3.47Å; A341-D344 WeakPolarHBondContact O-CB 3.49Å; A341-D344 PolarHBondContact O-N 3.32Å; D344-P346 VanDerWaalsContact O-CD 3.22Å; D344-P346 WeakPolarHBondContact O-CD 3.07Å; D344-R472 PolarHBondContact O-NH1 2.75Å; D344-L475 HydrophobicContact CB-CD1 4.11Å; D344-L475 HydrophobicContact CB-CD2 4.44Å
345	L	72.9	Confident	61.9	Low	12 Å²	12	74.9 Å²	74.9	6%	0.063	41%	0.407	C	S	.	.			trans	-82.6	110.2	-176.8	-86	146.6	0	0	0	111.1	I332 C334 S343 V347 I468	I332-L345 HydrophobicContact CG2-CD2 4.25Å; C334-L345 HydrophobicContact CB-CD1 4.29Å; C334-L345 HydrophobicContact CB-CD2 3.46Å; C334-L345 VanDerWaalsContact CB-CD2 3.46Å; C334-L345 HydrophobicContact CB-CG 4.3Å; C334-L345 WeakPolarHBondContact O-CD1 3.43Å; S343-L345 VanDerWaalsContact C-N 3.26Å; S343-L345 PolarHBondContact O-N 3.37Å; L345-V347 PolarHBondContact O-N 2.86Å; L345-I468 HydrophobicContact CD2-CD1 4.21Å
346	P	75.4	Confident	61.2	Low	52 Å²	52	80 Å²	80	34%	0.338	42%	0.419	S	S	.	.	S	Bend	trans	-71.1	3.2	179.8	32	-37.4	0	0	0	113.3	D344 L409 I468	D344-P346 VanDerWaalsContact O-CD 3.22Å; D344-P346 WeakPolarHBondContact O-CD 3.07Å; P346-L409 HydrophobicContact CB-CD1 4.15Å; P346-L409 HydrophobicContact CG-CD1 3.68Å; P346-I468 HydrophobicContact CG-CG1 4.03Å; P346-I468 HydrophobicContact CG-CG2 4.49Å
347	V	80	Confident	60.7	Low	2 Å²	2	76.2 Å²	76.2	1%	0.012	41%	0.407	C	S	.	.	S	Bend	trans	-106.7	119.9	177.8	-177.8	0	0	0	0	109.7	I332 L345 L409 P410 R413	I332-V347 HydrophobicContact CD1-CB 3.75Å; I332-V347 HydrophobicContact CD1-CG1 3.67Å; I332-V347 HydrophobicContact CD1-CG2 3.82Å; L345-V347 PolarHBondContact O-N 2.86Å; V347-L409 HydrophobicContact CG2-CB 4.03Å; V347-L409 HydrophobicContact CG2-CD1 4.44Å; V347-L409 HydrophobicContact CG2-CD2 4.46Å; V347-P410 HydrophobicContact CG1-CG 4.45Å; V347-P410 WeakPolarHBondContact CG1-O 3.11Å; V347-P410 HydrophobicContact CG2-CG 4.42Å; V347-R413 HydrophobicContact CB-CG 4.42Å; V347-R413 HydrophobicContact CG1-CG 4.07Å; V347-R413 WeakPolarHBondContact O-CG 3.29Å; V347-R413 PolarHBondContact O-NE 2.79Å
348	K	77.7	Confident	60.6	Low	168 Å²	168	70 Å²	70	73%	0.73	38%	0.383	S	S	*	.	B	Isolated β-bridge	trans	-65.2	138.9	178.9	-63.9	-177.6	179.9	-179.5	0	110.1	Y412 R413	K348-Y412 WeakPolarHBondContact O-CA 3.36Å; K348-R413 PolarHBondContact O-N 2.68Å; K348-R413 VanDerWaalsContact O-N 3.1Å
349	A	72.2	Confident	60.4	Low	33 Å²	33	67 Å²	67	27%	0.273	37%	0.372	S	S	.	.			trans	-74.2	140.4	166	0	0	0	0	0	108.2	R351 R413	A349-R351 WeakPolarHBondContact CB-O 3.49Å; A349-R351 PolarHBondContact O-N 3.44Å; A349-R351 VanDerWaalsContact O-N 3.13Å; A349-R413 HydrophobicContact CB-CG 4.41Å
350	K	66.6	Low	60.5	Low	50 Å²	50	66.4 Å²	66.4	22%	0.217	35%	0.354	C	S	.	.	S	Bend	trans	-55.4	-30.6	173.7	-72.6	-170.4	177.9	178	0	111.1	Y412 Q414 E519	K350-Y412 HydrophobicContact CB-CD1 4.4Å; K350-Y412 HydrophobicContact CD-CD2 4.39Å; K350-Y412 HydrophobicContact CD-CG 4.23Å; K350-Y412 HydrophobicContact CG-CD1 3.57Å; K350-Y412 HydrophobicContact CG-CD2 4.05Å; K350-Y412 HydrophobicContact CG-CE1 4.25Å; K350-Y412 HydrophobicContact CG-CG 3.45Å; K350-Y412 VanDerWaalsContact CG-CG 3.45Å; K350-Q414 WeakPolarHBondContact CE-O 3.13Å; K350-E519 IonicContact NZ-OE2 2.92Å; K350-E519 PolarHBondContact NZ-OE2 2.71Å
351	R	55.1	Low	60.2	Low	98 Å²	98	67.4 Å²	67.4	37%	0.37	36%	0.361	S	S	.	.	S	Bend	trans	-139.8	144	171	-56.6	-169.6	-65.2	-161	-0.5	109.2	A349 T353 G515 S516 E517	A349-R351 WeakPolarHBondContact CB-O 3.49Å; A349-R351 PolarHBondContact O-N 3.44Å; A349-R351 VanDerWaalsContact O-N 3.13Å; R351-T353 PolarHBondContact O-N 3.3Å; R351-G515 WeakPolarHBondContact CD-O 3.4Å; R351-S516 VanDerWaalsContact NH1-CA 3.29Å; R351-S516 PolarHBondContact NH2-OG 3.25Å; R351-E517 VanDerWaalsContact CZ-N 3.27Å
352	S	52.9	Low	60.2	Low	52 Å²	52	69.1 Å²	69.1	36%	0.364	37%	0.368	S	S	.	.			trans	-65.8	117.6	173.7	174.5	0	0	0	0	110.2	Y354 N355	S352-Y354 PolarHBondContact O-N 3.1Å; S352-Y354 WeakPolarHBondContact OG-CB 3.45Å; S352-Y354 PolarHBondContact OG-N 3.06Å; S352-Y354 VanDerWaalsContact OG-N 3.15Å; S352-N355 PolarHBondContact O-N 3.34Å; S352-N355 PolarHBondContact OG-N 2.93Å
353	T	46.6	Very low	60	Low	76 Å²	76	70.8 Å²	70.8	47%	0.466	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-62.4	-17.8	169.1	52.6	0	0	0	0	111.9	R351 N355	R351-T353 PolarHBondContact O-N 3.3Å; T353-N355 VanDerWaalsContact C-N 3.33Å
354	Y	46.1	Very low	59.4	Low	135 Å²	135	74.8 Å²	74.8	53%	0.529	38%	0.376	S	S	.	.	G	3₁₀ helix	trans	-86.8	-0.3	176.7	-58.4	-81.3	0	0	0	112.9	P342 S352 Y356 K363	P342-Y354 HydrophobicContact CB-CE2 3.6Å; P342-Y354 WeakPolarHBondContact CB-OH 3.5Å; P342-Y354 HydrophobicContact CG-CE1 4.3Å; P342-Y354 HydrophobicContact CG-CE2 3.98Å; P342-Y354 VanDerWaalsContact CG-CZ 3.49Å; P342-Y354 WeakPolarHBondContact CG-OH 3.4Å; S352-Y354 PolarHBondContact O-N 3.1Å; S352-Y354 WeakPolarHBondContact OG-CB 3.45Å; S352-Y354 PolarHBondContact OG-N 3.06Å; S352-Y354 VanDerWaalsContact OG-N 3.15Å; Y354-Y356 VanDerWaalsContact C-N 3.35Å; Y354-K363 WeakPolarHBondContact O-CE 3.27Å; Y354-K363 PolarHBondContact O-NZ 3.32Å
355	N	43.2	Very low	58.2	Low	125 Å²	125	79 Å²	79	67%	0.668	40%	0.403	S	S	*	.	G	3₁₀ helix	trans	-86.6	-1.7	173.4	-75.3	-7.2	0	0	0	113.7	S352 T353 S357 K363	S352-N355 PolarHBondContact O-N 3.34Å; S352-N355 PolarHBondContact OG-N 2.93Å; T353-N355 VanDerWaalsContact C-N 3.33Å; N355-S357 PolarHBondContact O-N 3.26Å; N355-S357 VanDerWaalsContact O-N 3.16Å; N355-K363 PolarHBondContact O-NZ 2.95Å
356	Y	47.2	Very low	56.6	Low	135 Å²	135	83.9 Å²	83.9	53%	0.529	44%	0.435	S	S	.	.			trans	-74.9	103.8	165.9	-164.5	-108.3	0	0	0	110.5	Y354 L358 K363	Y354-Y356 VanDerWaalsContact C-N 3.35Å; Y356-L358 HydrophobicContact CD1-CD2 4.14Å; Y356-L358 HydrophobicContact CD1-CG 4.17Å; Y356-L358 HydrophobicContact CE1-CD2 3.51Å; Y356-L358 HydrophobicContact CE1-CG 4.03Å; Y356-K363 WeakPolarHBondContact O-CE 3.26Å; Y356-K363 PolarHBondContact O-NZ 3.03Å; Y356-K363 VanDerWaalsContact O-NZ 3.1Å
357	S	51	Low	54.7	Low	71 Å²	71	86.1 Å²	86.1	50%	0.497	45%	0.452	S	S	.	.			trans	-85.5	110.8	168.1	48.3	0	0	0	0	107	N355 K363	N355-S357 PolarHBondContact O-N 3.26Å; N355-S357 VanDerWaalsContact O-N 3.16Å; S357-K363 VanDerWaalsContact N-NZ 3.15Å
358	L	56.2	Low	52.6	Low	72 Å²	72	94.8 Å²	94.8	38%	0.377	49%	0.493	S	S	.	.			trans	-59.2	138.1	165.2	-72.3	163.9	0	0	0	107.3	Y356 I360 T361	Y356-L358 HydrophobicContact CD1-CD2 4.14Å; Y356-L358 HydrophobicContact CD1-CG 4.17Å; Y356-L358 HydrophobicContact CE1-CD2 3.51Å; Y356-L358 HydrophobicContact CE1-CG 4.03Å; L358-I360 HydrophobicContact CB-CG1 3.85Å; L358-I360 PolarHBondContact O-N 3.05Å; L358-T361 HydrophobicContact CB-CG2 4.23Å; L358-T361 WeakPolarHBondContact CB-OG1 3.45Å; L358-T361 HydrophobicContact CD1-CG2 4.46Å; L358-T361 PolarHBondContact N-OG1 3.38Å; L358-T361 PolarHBondContact O-N 3.48Å; L358-T361 VanDerWaalsContact O-O 3.09Å; L358-T361 PolarHBondContact O-OG1 3.41Å
359	P	56.2	Low	50.5	Low	37 Å²	37	93.9 Å²	93.9	24%	0.24	50%	0.495	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.4	-27.5	176.8	-27.7	35	0	0	0	112.6	R68 I181	R68-P359 WeakPolarHBondContact CD-O 3.25Å; R68-P359 PolarHBondContact NH1-O 3.44Å; I181-P359 VanDerWaalsContact CD1-CD 3.4Å; I181-P359 HydrophobicContact CD1-CG 3.62Å; I181-P359 HydrophobicContact CG1-CG 4.15Å; I181-P359 HydrophobicContact CG2-CG 4.22Å
360	I	60.8	Low	48.5	Very low	52 Å²	52	98.2 Å²	98.2	27%	0.267	52%	0.518	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-3.1	179.5	58	165.9	0	0	0	114.7	R68 E70 L358	R68-I360 PolarHBondContact N-O 3.44Å; E70-I360 HydrophobicContact CG-CG2 4.15Å; E70-I360 VanDerWaalsContact OE1-CG2 3.27Å; E70-I360 WeakPolarHBondContact OE1-CG2 3.37Å; L358-I360 HydrophobicContact CB-CG1 3.85Å; L358-I360 PolarHBondContact O-N 3.05Å
361	T	59.6	Low	47.5	Very low	33 Å²	33	100.1 Å²	100.1	20%	0.202	53%	0.534	C	S	.	.	B	Isolated β-bridge	trans	-121.9	135.5	-178.4	56.7	0	0	0	0	111.4	L358	L358-T361 HydrophobicContact CB-CG2 4.23Å; L358-T361 WeakPolarHBondContact CB-OG1 3.45Å; L358-T361 HydrophobicContact CD1-CG2 4.46Å; L358-T361 PolarHBondContact N-OG1 3.38Å; L358-T361 PolarHBondContact O-N 3.48Å; L358-T361 VanDerWaalsContact O-O 3.09Å; L358-T361 PolarHBondContact O-OG1 3.41Å
362	V	61.9	Low	46.9	Very low	69 Å²	69	103.1 Å²	103.1	42%	0.418	55%	0.554	S	S	.	*			trans	-95.5	123.8	169.2	-177.1	0	0	0	0	108.2	T66 R68 K364	T66-V362 PolarHBondContact O-N 3.18Å; R68-V362 HydrophobicContact CG-CG2 3.62Å; V362-K364 PolarHBondContact O-N 3.34Å
363	K	53.7	Low	46.3	Very low	84 Å²	84	108.1 Å²	108.1	37%	0.365	57%	0.571	S	S	.	*			trans	-77.7	119.1	164.3	-68.1	-179.3	-173.7	168.3	0	107.5	Y354 N355 Y356 S357 T365	Y354-K363 WeakPolarHBondContact O-CE 3.27Å; Y354-K363 PolarHBondContact O-NZ 3.32Å; N355-K363 PolarHBondContact O-NZ 2.95Å; Y356-K363 WeakPolarHBondContact O-CE 3.26Å; Y356-K363 PolarHBondContact O-NZ 3.03Å; Y356-K363 VanDerWaalsContact O-NZ 3.1Å; S357-K363 VanDerWaalsContact N-NZ 3.15Å; K363-T365 PolarHBondContact O-N 2.71Å; K363-T365 VanDerWaalsContact O-N 3.09Å
364	K	46.4	Very low	45.8	Very low	179 Å²	179	110.2 Å²	110.2	78%	0.778	58%	0.58	S	S	*	*			trans	-63.1	112.4	161.3	-78.9	-174.9	174.6	-177.7	0	106.5	V362	V362-K364 PolarHBondContact O-N 3.34Å
365	T	40.3	Very low	45.6	Very low	124 Å²	124	111.2 Å²	111.2	76%	0.761	59%	0.593	S	S	*	*			trans	-56.8	125.1	157.4	38.9	0	0	0	0	106.5	K363 S367	K363-T365 PolarHBondContact O-N 2.71Å; K363-T365 VanDerWaalsContact O-N 3.09Å; T365-S367 PolarHBondContact O-N 3.15Å
366	P	38.7	Very low	45.4	Very low	114 Å²	114	113.9 Å²	113.9	74%	0.74	60%	0.599	S	S	*	*			trans	-54.3	130.5	168.7	22.7	-29.5	0	0	0	106.8	Q368	P366-Q368 PolarHBondContact O-N 3.21Å
367	S	36	Very low	45.1	Very low	99 Å²	99	116 Å²	116	69%	0.692	61%	0.614	S	S	*	*			trans	-59.6	110.5	171.1	45.3	0	0	0	0	106.5	T365 L369	T365-S367 PolarHBondContact O-N 3.15Å; S367-L369 VanDerWaalsContact C-N 3.33Å; S367-L369 PolarHBondContact O-N 3.13Å
368	Q	35.7	Very low	44.5	Very low	184 Å²	184	115.9 Å²	115.9	86%	0.86	62%	0.624	S	S	*	*			trans	-59.1	105.7	164.2	-77.5	-177.3	-47.1	0	0	106.1	P366 V370	P366-Q368 PolarHBondContact O-N 3.21Å; Q368-V370 VanDerWaalsContact C-N 3.34Å; Q368-V370 PolarHBondContact O-N 3.05Å
369	L	34.3	Very low	43.7	Very low	149 Å²	149	120.8 Å²	120.8	78%	0.78	65%	0.649	S	S	*	*			trans	-64.6	105.1	162.2	-75	169.4	0	0	0	104.9	S367 T371	S367-L369 VanDerWaalsContact C-N 3.33Å; S367-L369 PolarHBondContact O-N 3.13Å; L369-T371 VanDerWaalsContact C-N 3.3Å; L369-T371 PolarHBondContact O-N 3.02Å
370	V	30	Very low	42.7	Very low	124 Å²	124	122.2 Å²	122.2	75%	0.752	67%	0.671	S	S	*	*			trans	-63.7	99.5	168.8	177.8	0	0	0	0	106	Q368	Q368-V370 VanDerWaalsContact C-N 3.34Å; Q368-V370 PolarHBondContact O-N 3.05Å
371	T	45.7	Very low	41.4	Very low	90 Å²	90	126.1 Å²	126.1	55%	0.552	70%	0.699	S	S	*	*			trans	-72.7	138.8	171.3	38.5	0	0	0	0	108.3	L369 H373 D374	L369-T371 VanDerWaalsContact C-N 3.3Å; L369-T371 PolarHBondContact O-N 3.02Å; T371-H373 PolarHBondContact O-N 2.77Å; T371-D374 PolarHBondContact O-N 3.03Å
372	M	41.8	Very low	40.4	Very low	161 Å²	161	130.8 Å²	130.8	79%	0.793	73%	0.733	S	S	*	*	T	Hydrogen-bonded Turn	trans	-60.6	-0	-175.9	-77.8	-81.6	-71.7	0	0	114.9
373	H	40.4	Very low	39	Very low	157 Å²	157	130.6 Å²	130.6	73%	0.727	75%	0.746	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.6	-28.8	178.8	-82.9	-88.5	0	0	0	113.3	T371 L375 K376	T371-H373 PolarHBondContact O-N 2.77Å; H373-L375 PolarHBondContact O-N 3.17Å; H373-K376 PolarHBondContact O-N 3.45Å
374	D	37.2	Very low	37.9	Very low	120 Å²	120	133.7 Å²	133.7	64%	0.642	77%	0.772	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70	-14.6	-177.5	-81.6	-19.2	0	0	0	114.3	T371	T371-D374 PolarHBondContact O-N 3.03Å
375	L	41.8	Very low	37.5	Very low	157 Å²	157	131.3 Å²	131.3	82%	0.822	78%	0.778	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.7	-7.6	-179	-147.2	73.2	0	0	0	113.7	H373	H373-L375 PolarHBondContact O-N 3.17Å
376	K	39.4	Very low	37.1	Very low	180 Å²	180	128.5 Å²	128.5	78%	0.783	77%	0.774	S	S	*	*	S	Bend	trans	-98.2	-10	-176	-76.4	-170.6	177.9	-179.9	0	115.3	H373 G378	H373-K376 PolarHBondContact O-N 3.45Å; K376-G378 VanDerWaalsContact C-N 3.26Å; K376-G378 PolarHBondContact O-N 3.05Å
377	Q	40.7	Very low	37	Very low	181 Å²	181	128.2 Å²	128.2	85%	0.846	78%	0.78	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.1	-0.7	-179.8	-95.5	179.6	-3.8	0	0	114.9
378	G	38.2	Very low	37.1	Very low	68 Å²	68	135 Å²	135	70%	0.701	79%	0.791	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.4	-2.6	-177.4	0	0	0	0	0	117	K376	K376-G378 VanDerWaalsContact C-N 3.26Å; K376-G378 PolarHBondContact O-N 3.05Å
379	L	39.8	Very low	37.1	Very low	174 Å²	174	135.3 Å²	135.3	91%	0.911	79%	0.79	S	S	*	*			trans	-142.9	75.7	-170.9	-67.5	171.7	0	0	0	112.4
380	G	33.7	Very low	37	Very low	67 Å²	67	134.2 Å²	134.2	69%	0.691	79%	0.791	S	S	*	*			trans	-127.1	137	167.7	0	0	0	0	0	111.1
381	P	34.6	Very low	37.4	Very low	134 Å²	134	132.7 Å²	132.7	87%	0.87	79%	0.792	S	S	*	*			trans	-75.2	137.8	-173.5	28.7	-30.8	0	0	0	112.4
382	S	37.3	Very low	37.2	Very low	131 Å²	131	132.4 Å²	132.4	92%	0.916	79%	0.793	S	S	*	*			trans	-48.7	133	169.2	-74.1	0	0	0	0	113.2
383	G	33.1	Very low	37.6	Very low	66 Å²	66	128.6 Å²	128.6	68%	0.68	78%	0.783	S	S	*	*			trans	140.1	97.1	152.6	0	0	0	0	0	114.9
384	T	31	Very low	38.9	Very low	148 Å²	148	128.4 Å²	128.4	91%	0.908	78%	0.78	S	S	*	*				-173.7	126.6	122	37.3	0	0	0	0	109.4	G386	T384-G386 PolarHBondContact O-N 3.33Å; T384-G386 VanDerWaalsContact O-N 3.17Å
385	S	37.1	Very low	40.8	Very low	130 Å²	130	126.2 Å²	126.2	91%	0.909	76%	0.763	S	S	*	*			trans	-75.3	95.2	-178.6	50	0	0	0	0	111.1
386	G	32.7	Very low	42.8	Very low	65 Å²	65	124 Å²	124	67%	0.67	75%	0.746	S	S	*	*			trans	-83.7	126.6	159.9	0	0	0	0	0	109.9	T384 R388	T384-G386 PolarHBondContact O-N 3.33Å; T384-G386 VanDerWaalsContact O-N 3.17Å; G386-R388 PolarHBondContact O-N 3.48Å
387	A	37.3	Very low	44.9	Very low	107 Å²	107	116.5 Å²	116.5	88%	0.884	72%	0.715	S	S	*	*			trans	-58.6	99.4	179	0	0	0	0	0	111.2	K389	A387-K389 PolarHBondContact O-N 3.03Å
388	R	36.4	Very low	47	Very low	243 Å²	243	113.7 Å²	113.7	92%	0.917	70%	0.7	S	S	*	*			trans	-62.5	108.6	167.6	-78.3	-177.1	173.8	178.7	-3.9	108	G386	G386-R388 PolarHBondContact O-N 3.48Å
389	K	35.6	Very low	49.3	Very low	190 Å²	190	114 Å²	114	83%	0.826	69%	0.685	S	S	*	*			trans	-50.8	135.1	160	-75	178.1	178.2	172.8	0	107.2	A387 A391	A387-K389 PolarHBondContact O-N 3.03Å; K389-A391 PolarHBondContact O-N 2.9Å; K389-A391 VanDerWaalsContact O-N 3.07Å
390	P	33.9	Very low	51.3	Low	126 Å²	126	108.5 Å²	108.5	82%	0.818	66%	0.662	S	S	*	*			trans	-61.9	119.2	179.8	24.8	-31.3	0	0	0	108.3	S392	P390-S392 PolarHBondContact O-N 3.23Å
391	A	37.7	Very low	53.8	Low	92 Å²	92	106.1 Å²	106.1	76%	0.76	63%	0.634	S	S	*	*			trans	-59.3	103.3	174	0	0	0	0	0	108.1	K389 S393	K389-A391 PolarHBondContact O-N 2.9Å; K389-A391 VanDerWaalsContact O-N 3.07Å; A391-S393 PolarHBondContact O-N 3.02Å; A391-S393 VanDerWaalsContact O-N 3.1Å
392	S	41.6	Very low	56.4	Low	83 Å²	83	100.4 Å²	100.4	58%	0.58	60%	0.595	S	S	*	*			trans	-69.4	108.5	168	65.5	0	0	0	0	106.3	P390 K394	P390-S392 PolarHBondContact O-N 3.23Å; S392-K394 VanDerWaalsContact C-N 3.26Å; S392-K394 PolarHBondContact O-N 2.94Å
393	S	50.3	Low	59	Low	82 Å²	82	95.1 Å²	95.1	57%	0.573	56%	0.556	S	S	*	*			trans	-61.3	88.9	173.7	-39.9	0	0	0	0	108.9	A391 Y395	A391-S393 PolarHBondContact O-N 3.02Å; A391-S393 VanDerWaalsContact O-N 3.1Å; S393-Y395 WeakPolarHBondContact O-CD2 3.4Å; S393-Y395 WeakPolarHBondContact O-CE2 3.42Å; S393-Y395 PolarHBondContact O-N 2.86Å
394	K	66.7	Low	61.8	Low	153 Å²	153	92.2 Å²	92.2	67%	0.665	53%	0.525	S	S	*	.			trans	-83.2	100.3	177.7	-76.5	-179.3	-176.3	171.5	0	107.5	S392 K396	S392-K394 VanDerWaalsContact C-N 3.26Å; S392-K394 PolarHBondContact O-N 2.94Å; K394-K396 PolarHBondContact O-N 3.05Å
395	Y	78.7	Confident	64.7	Low	73 Å²	73	91.1 Å²	91.1	29%	0.286	50%	0.504	S	S	.	.			trans	-72.5	11.8	172.3	-58.4	-81.1	0	0	0	113	V284 H285 S393	V284-Y395 WeakPolarHBondContact O-CB 3.25Å; H285-Y395 AromaticContact CD2-CE1 3.65Å; H285-Y395 AromaticContact CD2-CZ 3.58Å; S393-Y395 WeakPolarHBondContact O-CD2 3.4Å; S393-Y395 WeakPolarHBondContact O-CE2 3.42Å; S393-Y395 PolarHBondContact O-N 2.86Å
396	K	83.4	Confident	67.1	Low	110 Å²	110	91.9 Å²	91.9	48%	0.478	49%	0.493	S	S	.	.	P	Polyproline II helix	trans	-86.5	122.2	-172.2	-168.5	177.2	-177.8	179.2	0	109.4	K279 A280 K394	K279-K396 WeakPolarHBondContact O-CA 3.37Å; A280-K396 WeakPolarHBondContact O-CE 3.4Å; A280-K396 WeakPolarHBondContact O-CG 3.23Å; K394-K396 PolarHBondContact O-N 3.05Å
397	L	83.3	Confident	69.5	Low	23 Å²	23	90.9 Å²	90.9	12%	0.12	48%	0.482	C	S	.	.	P	Polyproline II helix	trans	-75.4	157.4	178	-65.9	-179.2	0	0	0	112	K279 A280 V401 P512	K279-L397 HydrophobicContact CB-CB 4.46Å; K279-L397 HydrophobicContact CB-CD1 3.64Å; K279-L397 HydrophobicContact CB-CG 3.85Å; K279-L397 HydrophobicContact CD-CD1 3.82Å; K279-L397 HydrophobicContact CD-CG 4.47Å; K279-L397 HydrophobicContact CG-CD1 4.42Å; K279-L397 PolarHBondContact O-N 2.81Å; A280-L397 HydrophobicContact CB-CB 4.23Å; L397-V401 HydrophobicContact CD1-CG1 4.35Å; L397-P512 HydrophobicContact CD2-CG 4.49Å
398	K	85.2	Confident	71.7	Confident	123 Å²	123	87.8 Å²	87.8	54%	0.535	46%	0.457	S	S	.	.	P	Polyproline II helix	trans	-68.7	144.2	171.8	-64.4	179.5	-176.2	169.8	0	110.5	S400 V401 D509	K398-S400 PolarHBondContact O-N 3.21Å; K398-V401 WeakPolarHBondContact O-CB 3.2Å; K398-V401 VanDerWaalsContact O-CG2 3.28Å; K398-V401 WeakPolarHBondContact O-CG2 3.44Å; K398-V401 PolarHBondContact O-N 3.46Å; K398-V401 VanDerWaalsContact O-N 3.13Å; K398-D509 WeakPolarHBondContact CE-OD2 3.34Å; K398-D509 IonicContact NZ-OD2 2.93Å; K398-D509 PolarHBondContact NZ-OD2 3.26Å
399	D	85.9	Confident	74.1	Confident	73 Å²	73	78 Å²	78	39%	0.39	42%	0.422	S	S	.	.	G	3₁₀ helix	trans	-59.9	-28.7	-179.5	-79	-6.5	0	0	0	113.7	V401 Y402 I403	D399-V401 PolarHBondContact O-N 2.73Å; D399-Y402 HydrophobicContact CB-CE1 4.47Å; D399-Y402 WeakPolarHBondContact O-CD1 3.32Å; D399-Y402 PolarHBondContact O-N 3.1Å; D399-Y402 VanDerWaalsContact O-N 3.16Å; D399-I403 HydrophobicContact CB-CD1 4.14Å; D399-I403 WeakPolarHBondContact O-CB 3.27Å; D399-I403 PolarHBondContact O-N 3.18Å
400	S	82.8	Confident	76.6	Confident	60 Å²	60	69.1 Å²	69.1	42%	0.42	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-60.4	-15.8	177.5	56.5	0	0	0	0	114	K398 Y402 P411	K398-S400 PolarHBondContact O-N 3.21Å; S400-Y402 VanDerWaalsContact C-N 3.29Å; S400-Y402 PolarHBondContact O-N 3.24Å; S400-P411 VanDerWaalsContact O-CD 3.31Å; S400-P411 WeakPolarHBondContact O-CD 3.36Å; S400-P411 VanDerWaalsContact O-CG 3.29Å; S400-P411 WeakPolarHBondContact O-CG 3.04Å
401	V	84.9	Confident	79.1	Confident	16 Å²	16	65.1 Å²	65.1	10%	0.097	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-73.5	-20.5	179.5	-176.2	0	0	0	0	112.2	N276 L397 K398 D399 M415	N276-V401 HydrophobicContact CB-CG1 3.99Å; L397-V401 HydrophobicContact CD1-CG1 4.35Å; K398-V401 WeakPolarHBondContact O-CB 3.2Å; K398-V401 VanDerWaalsContact O-CG2 3.28Å; K398-V401 WeakPolarHBondContact O-CG2 3.44Å; K398-V401 PolarHBondContact O-N 3.46Å; K398-V401 VanDerWaalsContact O-N 3.13Å; D399-V401 PolarHBondContact O-N 2.73Å; V401-M415 WeakPolarHBondContact O-CE 3.46Å
402	Y	88.6	Confident	81.4	Confident	15 Å²	15	63.5 Å²	63.5	6%	0.059	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.4	-8.5	179.7	79.4	-77	0	0	0	114.6	A277 A280 N281 D399 S400 Y417 D421	A277-Y402 HydrophobicContact CB-CD1 4.33Å; A277-Y402 HydrophobicContact CB-CD2 3.45Å; A277-Y402 VanDerWaalsContact CB-CD2 3.45Å; A277-Y402 HydrophobicContact CB-CE2 3.81Å; A277-Y402 HydrophobicContact CB-CG 3.73Å; A280-Y402 HydrophobicContact CB-CD1 3.65Å; A280-Y402 HydrophobicContact CB-CE1 3.32Å; N281-Y402 PolarHBondContact ND2-OH 3.1Å; N281-Y402 VanDerWaalsContact ND2-OH 3.11Å; D399-Y402 HydrophobicContact CB-CE1 4.47Å; D399-Y402 WeakPolarHBondContact O-CD1 3.32Å; D399-Y402 PolarHBondContact O-N 3.1Å; D399-Y402 VanDerWaalsContact O-N 3.16Å; S400-Y402 VanDerWaalsContact C-N 3.29Å; S400-Y402 PolarHBondContact O-N 3.24Å; Y402-Y417 VanDerWaalsContact O-CD1 3.31Å; Y402-Y417 WeakPolarHBondContact O-CD1 3.41Å; Y402-D421 HydrophobicContact CD2-CB 4.29Å; Y402-D421 VanDerWaalsContact O-CB 3.28Å; Y402-D421 WeakPolarHBondContact O-CB 3.44Å
403	I	92.4	Very high	83.4	Confident	20 Å²	20	62.5 Å²	62.5	10%	0.103	32%	0.317	C	S	.	.			trans	-107.1	128.8	175	-62.9	169.9	0	0	0	109.6	D399 R405 D421	D399-I403 HydrophobicContact CB-CD1 4.14Å; D399-I403 WeakPolarHBondContact O-CB 3.27Å; D399-I403 PolarHBondContact O-N 3.18Å; I403-R405 HydrophobicContact CG2-CG 3.92Å; I403-D421 WeakPolarHBondContact CA-O 3.42Å; I403-D421 HydrophobicContact CG1-CB 4.23Å
404	F	93	Very high	85.2	Confident	5 Å²	5	59.5 Å²	59.5	2%	0.022	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	130.5	170.6	-174.6	-105.2	0	0	0	109.9	Y417 D421 L422 N423 V424 L427 M460 M463 I464	F404-Y417 HydrophobicContact CB-CD1 4.15Å; F404-Y417 HydrophobicContact CB-CE1 3.92Å; F404-Y417 HydrophobicContact CB-CE2 4.37Å; F404-Y417 HydrophobicContact CB-CG 4.5Å; F404-Y417 HydrophobicContact CD2-CE2 4.42Å; F404-D421 PolarHBondContact N-O 3.44Å; F404-L422 HydrophobicContact CB-CD2 3.73Å; F404-L422 HydrophobicContact CD1-CD2 4.45Å; F404-L422 HydrophobicContact CG-CD2 4.4Å; F404-N423 WeakPolarHBondContact O-CB 3.46Å; F404-N423 PolarHBondContact O-N 3.15Å; F404-V424 HydrophobicContact CD1-CG2 3.84Å; F404-V424 HydrophobicContact CE1-CG2 3.85Å; F404-L427 HydrophobicContact CD1-CD1 3.96Å; F404-L427 HydrophobicContact CE1-CD1 4.11Å; F404-M460 HydrophobicContact CB-CE 4.33Å; F404-M460 HydrophobicContact CD1-CE 3.85Å; F404-M460 HydrophobicContact CD2-CE 3.76Å; F404-M460 HydrophobicContact CE1-CE 4.06Å; F404-M460 HydrophobicContact CE1-CG 4.2Å; F404-M460 HydrophobicContact CE2-CE 3.99Å; F404-M460 HydrophobicContact CG-CE 3.7Å; F404-M460 HydrophobicContact CZ-CE 4.12Å; F404-M463 HydrophobicContact CE1-CE 3.86Å; F404-M463 HydrophobicContact CZ-CE 4.46Å; F404-I464 HydrophobicContact CE2-CD1 4.15Å; F404-I464 HydrophobicContact CE2-CG1 4.29Å; F404-I464 HydrophobicContact CZ-CD1 4.44Å; F404-I464 HydrophobicContact CZ-CG1 4.32Å
405	R	92.3	Very high	86.3	Confident	125 Å²	125	52.3 Å²	52.3	47%	0.472	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	150.7	179.5	-59.9	-176.7	-174.9	-97.7	1.5	109.9	I403 G407 A408 N423	I403-R405 HydrophobicContact CG2-CG 3.92Å; R405-G407 PolarHBondContact O-N 2.89Å; R405-A408 HydrophobicContact CB-CB 4.29Å; R405-A408 WeakPolarHBondContact O-CB 3.3Å; R405-A408 PolarHBondContact O-N 3.16Å; R405-A408 VanDerWaalsContact O-N 3.17Å; R405-N423 HydrophobicContact CG-CB 4.46Å
406	E	87	Confident	86.9	Confident	146 Å²	146	49.7 Å²	49.7	68%	0.682	25%	0.253	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.4	135.2	176.4	-165.7	171.9	-178.4	0	0	111.4	A408 V424	E406-A408 PolarHBondContact O-N 3.34Å; E406-V424 HydrophobicContact CB-CG2 4.17Å
407	G	82.9	Confident	87.4	Confident	43 Å²	43	44.6 Å²	44.6	44%	0.443	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	73.8	-4.5	-177.8	0	0	0	0	0	116	R405 T467	R405-G407 PolarHBondContact O-N 2.89Å; G407-T467 WeakPolarHBondContact O-CG2 3.27Å
408	A	84.3	Confident	88	Confident	42 Å²	42	43.6 Å²	43.6	35%	0.347	23%	0.225	S	C	.	.	P	Polyproline II helix	trans	-85.8	139.3	175	0	0	0	0	0	111.3	R405 E406	R405-A408 HydrophobicContact CB-CB 4.29Å; R405-A408 WeakPolarHBondContact O-CB 3.3Å; R405-A408 PolarHBondContact O-N 3.16Å; R405-A408 VanDerWaalsContact O-N 3.17Å; E406-A408 PolarHBondContact O-N 3.34Å
409	L	86.8	Confident	88.6	Confident	37 Å²	37	38 Å²	38	19%	0.194	20%	0.201	C	C	.	.	P	Polyproline II helix	trans	-85.2	136	167.6	-67	175.2	0	0	0	108.8	P346 V347 I464 T467 I468 K471	P346-L409 HydrophobicContact CB-CD1 4.15Å; P346-L409 HydrophobicContact CG-CD1 3.68Å; V347-L409 HydrophobicContact CG2-CB 4.03Å; V347-L409 HydrophobicContact CG2-CD1 4.44Å; V347-L409 HydrophobicContact CG2-CD2 4.46Å; L409-I464 HydrophobicContact CD2-CG2 4.04Å; L409-T467 HydrophobicContact CD2-CG2 3.87Å; L409-T467 HydrophobicContact CG-CG2 4.07Å; L409-I468 HydrophobicContact CD2-CG1 3.83Å; L409-K471 HydrophobicContact CD1-CD 4.24Å
410	P	87.8	Confident	89	Confident	5 Å²	5	36.2 Å²	36.2	3%	0.032	19%	0.193	C	C	.	.	P	Polyproline II helix	trans	-60.7	144.3	174.5	27.6	-36.3	0	0	0	110.1	I332 V347 Y412 M415 Y417 I464	I332-P410 HydrophobicContact CD1-CG 3.63Å; I332-P410 HydrophobicContact CG1-CG 4.16Å; V347-P410 HydrophobicContact CG1-CG 4.45Å; V347-P410 WeakPolarHBondContact CG1-O 3.11Å; V347-P410 HydrophobicContact CG2-CG 4.42Å; P410-Y412 PolarHBondContact O-N 2.67Å; P410-M415 HydrophobicContact CB-CG 3.73Å; P410-Y417 WeakPolarHBondContact CB-OH 3.5Å; P410-I464 HydrophobicContact CG-CD1 3.96Å
411	P	85.4	Confident	89.6	Confident	41 Å²	41	34 Å²	34	27%	0.266	18%	0.177	S	C	.	.	S	Bend	trans	-58.9	-31.3	178.9	-26	34.4	0	0	0	113.6	S400 M415	S400-P411 VanDerWaalsContact O-CD 3.31Å; S400-P411 WeakPolarHBondContact O-CD 3.36Å; S400-P411 VanDerWaalsContact O-CG 3.29Å; S400-P411 WeakPolarHBondContact O-CG 3.04Å; P411-M415 HydrophobicContact CG-CE 4.41Å
412	Y	85.9	Confident	90	Very high	58 Å²	58	33.2 Å²	33.2	23%	0.227	17%	0.172	C	C	.	.	B	Isolated β-bridge	trans	-134.7	158.2	-179.2	-54.4	-74.2	0	0	0	112.9	K348 K350 P410 Q414 M415	K348-Y412 WeakPolarHBondContact O-CA 3.36Å; K350-Y412 HydrophobicContact CB-CD1 4.4Å; K350-Y412 HydrophobicContact CD-CD2 4.39Å; K350-Y412 HydrophobicContact CD-CG 4.23Å; K350-Y412 HydrophobicContact CG-CD1 3.57Å; K350-Y412 HydrophobicContact CG-CD2 4.05Å; K350-Y412 HydrophobicContact CG-CE1 4.25Å; K350-Y412 HydrophobicContact CG-CG 3.45Å; K350-Y412 VanDerWaalsContact CG-CG 3.45Å; P410-Y412 PolarHBondContact O-N 2.67Å; Y412-Q414 PolarHBondContact O-N 3.27Å; Y412-M415 HydrophobicContact CD2-SD 3.95Å; Y412-M415 HydrophobicContact CG-SD 4.42Å; Y412-M415 WeakPolarHBondContact O-CG 3.36Å
413	R	84.3	Confident	90.2	Very high	63 Å²	63	36.1 Å²	36.1	24%	0.238	19%	0.189	C	C	.	.	S	Bend	trans	-62.6	-22.2	179.4	-66.3	-175.3	-172.5	-171.8	-1.6	114.4	R331 I332 P342 V347 K348 A349	R331-R413 WeakPolarHBondContact CA-O 3.25Å; I332-R413 HydrophobicContact CD1-CB 4.48Å; I332-R413 HydrophobicContact CD1-CG 4.39Å; I332-R413 PolarHBondContact N-O 2.93Å; P342-R413 PolarHBondContact O-NH2 3.03Å; P342-R413 VanDerWaalsContact O-NH2 3.16Å; V347-R413 HydrophobicContact CB-CG 4.42Å; V347-R413 HydrophobicContact CG1-CG 4.07Å; V347-R413 WeakPolarHBondContact O-CG 3.29Å; V347-R413 PolarHBondContact O-NE 2.79Å; K348-R413 PolarHBondContact O-N 2.68Å; K348-R413 VanDerWaalsContact O-N 3.1Å; A349-R413 HydrophobicContact CB-CG 4.41Å
414	Q	87.6	Confident	90.3	Very high	18 Å²	18	35.4 Å²	35.4	8%	0.084	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	127	174.3	177.5	174.3	3.9	0	0	109.4	F330 R331 K350 Y412 F416 E517	F330-Q414 WeakPolarHBondContact O-CA 3.34Å; R331-Q414 HydrophobicContact CG-CB 4.16Å; R331-Q414 HydrophobicContact CG-CG 3.87Å; R331-Q414 VanDerWaalsContact NH2-NE2 3.14Å; K350-Q414 WeakPolarHBondContact CE-O 3.13Å; Y412-Q414 PolarHBondContact O-N 3.27Å; Q414-F416 HydrophobicContact CG-CE2 4.22Å; Q414-F416 HydrophobicContact CG-CZ 4.48Å; Q414-E517 PolarHBondContact NE2-O 3.27Å; Q414-E517 VanDerWaalsContact NE2-O 3.13Å; Q414-E517 PolarHBondContact OE1-O 3.06Å
415	M	89.5	Confident	90.3	Very high	3 Å²	3	42 Å²	42	2%	0.015	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	148.1	-176.7	-62.9	-60.8	-62.6	0	0	110.2	F330 V401 P410 P411 Y412 Y417	F330-M415 PolarHBondContact N-O 3.38Å; F330-M415 PolarHBondContact O-N 3.43Å; V401-M415 WeakPolarHBondContact O-CE 3.46Å; P410-M415 HydrophobicContact CB-CG 3.73Å; P411-M415 HydrophobicContact CG-CE 4.41Å; Y412-M415 HydrophobicContact CD2-SD 3.95Å; Y412-M415 HydrophobicContact CG-SD 4.42Å; Y412-M415 WeakPolarHBondContact O-CG 3.36Å; M415-Y417 HydrophobicContact CB-CD2 3.91Å; M415-Y417 HydrophobicContact CB-CE1 4.38Å; M415-Y417 HydrophobicContact CB-CE2 3.27Å; M415-Y417 HydrophobicContact CE-CE1 4.18Å; M415-Y417 HydrophobicContact CG-CE2 3.94Å; M415-Y417 WeakPolarHBondContact CG-OH 3.34Å
416	F	91.6	Very high	90.4	Very high	18 Å²	18	41.5 Å²	41.5	8%	0.079	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	105.2	173.2	-63.9	-86.8	0	0	0	108.1	V327 D329 Q414 E519	V327-F416 HydrophobicContact CG2-CB 4.04Å; V327-F416 HydrophobicContact CG2-CD1 4.29Å; D329-F416 HydrophobicContact CB-CD1 4Å; D329-F416 HydrophobicContact CB-CE1 3.78Å; D329-F416 VanDerWaalsContact CG-CE1 3.47Å; D329-F416 WeakPolarHBondContact OD2-CE1 3.34Å; Q414-F416 HydrophobicContact CG-CE2 4.22Å; Q414-F416 HydrophobicContact CG-CZ 4.48Å; F416-E519 HydrophobicContact CD2-CB 3.91Å; F416-E519 HydrophobicContact CD2-CG 4.5Å; F416-E519 VanDerWaalsContact CD2-OE2 3.31Å; F416-E519 WeakPolarHBondContact CD2-OE2 3.47Å; F416-E519 HydrophobicContact CE2-CB 3.51Å; F416-E519 HydrophobicContact CZ-CB 4.36Å
417	Y	94.8	Very high	90.8	Very high	2 Å²	2	34.5 Å²	34.5	1%	0.008	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	145.7	179.4	-64.7	-67.9	0	0	0	109.6	V327 L328 F330 Y402 F404 P410 M415 L422 M460	V327-Y417 CarbonylContact C-O 3.47Å; V327-Y417 WeakPolarHBondContact CA-O 3.34Å; L328-Y417 PolarHBondContact N-O 3.06Å; L328-Y417 PolarHBondContact O-N 3.29Å; F330-Y417 HydrophobicContact CB-CD2 4.15Å; F330-Y417 HydrophobicContact CB-CE2 4.35Å; F330-Y417 HydrophobicContact CD1-CE2 4.43Å; Y402-Y417 VanDerWaalsContact O-CD1 3.31Å; Y402-Y417 WeakPolarHBondContact O-CD1 3.41Å; F404-Y417 HydrophobicContact CB-CD1 4.15Å; F404-Y417 HydrophobicContact CB-CE1 3.92Å; F404-Y417 HydrophobicContact CB-CE2 4.37Å; F404-Y417 HydrophobicContact CB-CG 4.5Å; F404-Y417 HydrophobicContact CD2-CE2 4.42Å; P410-Y417 WeakPolarHBondContact CB-OH 3.5Å; M415-Y417 HydrophobicContact CB-CD2 3.91Å; M415-Y417 HydrophobicContact CB-CE1 4.38Å; M415-Y417 HydrophobicContact CB-CE2 3.27Å; M415-Y417 HydrophobicContact CE-CE1 4.18Å; M415-Y417 HydrophobicContact CG-CE2 3.94Å; M415-Y417 WeakPolarHBondContact CG-OH 3.34Å; Y417-L422 HydrophobicContact CD2-CD2 4.26Å; Y417-L422 HydrophobicContact CG-CD2 3.92Å; Y417-M460 HydrophobicContact CD2-CE 3.85Å; Y417-M460 HydrophobicContact CE2-CE 3.77Å
418	Q	96.1	Very high	91.4	Very high	3 Å²	3	34.5 Å²	34.5	1%	0.014	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	148.8	163.6	-64.3	177.7	-104.9	0	0	108.9	R270 I272 L308 Y325 Q326 C420 D421	R270-Q418 VanDerWaalsContact NH2-CB 3.33Å; I272-Q418 PolarHBondContact O-NE2 3.48Å; L308-Q418 HydrophobicContact CD1-CG 4.11Å; L308-Q418 HydrophobicContact CD2-CG 3.85Å; Y325-Q418 PolarHBondContact O-NE2 3.34Å; Q326-Q418 CarbonylContact O-C 3.56Å; Q326-Q418 VanDerWaalsContact O-CA 3.25Å; Q326-Q418 WeakPolarHBondContact O-CA 3.19Å; Q418-C420 PolarHBondContact O-N 3.45Å; Q418-C420 VanDerWaalsContact O-N 3.17Å; Q418-D421 WeakPolarHBondContact CB-OD2 3.31Å; Q418-D421 PolarHBondContact O-N 3.23Å
419	L	96.1	Very high	91.9	Very high	6 Å²	6	39.2 Å²	39.2	3%	0.031	19%	0.188	C	C	.	.	G	3₁₀ helix	trans	-58.4	-33.4	-172.4	-61.3	-174.8	0	0	0	113.2	I324 Q326 L328 D421 L422 Q428 I431 L456	I324-L419 CarbonylContact O-C 3.51Å; I324-L419 WeakPolarHBondContact O-CB 3.35Å; I324-L419 PolarHBondContact O-N 2.98Å; Q326-L419 HydrophobicContact CB-CD1 3.92Å; Q326-L419 HydrophobicContact CB-CG 4.15Å; Q326-L419 PolarHBondContact O-N 2.91Å; L328-L419 HydrophobicContact CB-CD2 4.25Å; L419-D421 PolarHBondContact O-N 2.95Å; L419-L422 HydrophobicContact CD2-CD1 4.05Å; L419-L422 PolarHBondContact O-N 2.88Å; L419-Q428 PolarHBondContact O-NE2 3.29Å; L419-I431 HydrophobicContact CB-CD1 3.92Å; L419-I431 HydrophobicContact CB-CG1 4.3Å; L419-I431 HydrophobicContact CB-CG2 4.31Å; L419-I431 HydrophobicContact CD1-CG1 4.33Å; L419-I431 HydrophobicContact CD1-CG2 4.19Å; L419-I431 HydrophobicContact CD2-CD1 4.28Å; L419-I431 HydrophobicContact CD2-CG1 4.31Å; L419-L456 HydrophobicContact CD2-CD1 3.62Å
420	C	94.8	Very high	92.3	Very high	34 Å²	34	38.3 Å²	38.3	23%	0.23	18%	0.183	C	C	.	.	G	3₁₀ helix	trans	-69.3	-17.5	175.4	63.5	0	0	0	0	114.2	R270 I324 Q418	R270-C420 PolarHBondContact NH1-SG 2.98Å; R270-C420 VanDerWaalsContact NH1-SG 3.4Å; R270-C420 PolarHBondContact NH2-SG 3.42Å; I324-C420 HydrophobicContact CB-CB 4.17Å; I324-C420 HydrophobicContact CD1-CB 4.4Å; I324-C420 HydrophobicContact CG1-CB 4.45Å; I324-C420 WeakPolarHBondContact O-CB 3.03Å; I324-C420 PolarHBondContact O-N 2.98Å; Q418-C420 PolarHBondContact O-N 3.45Å; Q418-C420 VanDerWaalsContact O-N 3.17Å
421	D	95.1	Very high	92.6	Very high	14 Å²	14	38.1 Å²	38.1	8%	0.075	18%	0.181	C	C	.	.	G	3₁₀ helix	trans	-97.6	8.1	-179.1	-54.4	-41.5	0	0	0	111.9	R270 Y402 I403 F404 Q418 L419 N423	R270-D421 IonicContact CZ-OD1 3.75Å; R270-D421 IonicContact CZ-OD2 3.77Å; R270-D421 IonicContact NH1-OD1 2.94Å; R270-D421 PolarHBondContact NH1-OD1 3.16Å; R270-D421 IonicContact NH1-OD2 3.36Å; R270-D421 PolarHBondContact NH1-OD2 2.78Å; R270-D421 IonicContact NH2-OD1 3.05Å; R270-D421 IonicContact NH2-OD2 3.73Å; R270-D421 PolarHBondContact NH2-OD2 3.27Å; Y402-D421 HydrophobicContact CD2-CB 4.29Å; Y402-D421 VanDerWaalsContact O-CB 3.28Å; Y402-D421 WeakPolarHBondContact O-CB 3.44Å; I403-D421 WeakPolarHBondContact CA-O 3.42Å; I403-D421 HydrophobicContact CG1-CB 4.23Å; F404-D421 PolarHBondContact N-O 3.44Å; Q418-D421 WeakPolarHBondContact CB-OD2 3.31Å; Q418-D421 PolarHBondContact O-N 3.23Å; L419-D421 PolarHBondContact O-N 2.95Å; D421-N423 PolarHBondContact O-N 2.97Å
422	L	94.5	Very high	93.1	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	83.9	174.3	-62.8	-179.9	0	0	0	110.4	L328 F404 Y417 L419 V424 L427 Q428 I431 M460	L328-L422 HydrophobicContact CD2-CD1 3.98Å; F404-L422 HydrophobicContact CB-CD2 3.73Å; F404-L422 HydrophobicContact CD1-CD2 4.45Å; F404-L422 HydrophobicContact CG-CD2 4.4Å; Y417-L422 HydrophobicContact CD2-CD2 4.26Å; Y417-L422 HydrophobicContact CG-CD2 3.92Å; L419-L422 HydrophobicContact CD2-CD1 4.05Å; L419-L422 PolarHBondContact O-N 2.88Å; L422-V424 PolarHBondContact O-N 2.61Å; L422-L427 HydrophobicContact CB-CB 4.46Å; L422-L427 HydrophobicContact CB-CD1 4.14Å; L422-L427 HydrophobicContact CD1-CD1 4.37Å; L422-L427 HydrophobicContact CD2-CD1 4.42Å; L422-Q428 PolarHBondContact O-NE2 3.1Å; L422-I431 HydrophobicContact CD1-CD1 4.14Å; L422-M460 HydrophobicContact CD2-CE 4.22Å; L422-M460 HydrophobicContact CD2-SD 4.12Å
423	N	92.6	Very high	93.4	Very high	76 Å²	76	43.1 Å²	43.1	41%	0.406	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	64.4	-174.6	-65	8.2	0	0	0	111.8	F404 R405 D421	F404-N423 WeakPolarHBondContact O-CB 3.46Å; F404-N423 PolarHBondContact O-N 3.15Å; R405-N423 HydrophobicContact CG-CB 4.46Å; D421-N423 PolarHBondContact O-N 2.97Å
424	V	94.1	Very high	93.9	Very high	5 Å²	5	40.7 Å²	40.7	3%	0.03	19%	0.189	C	C	.	.			trans	-141.7	126.9	176	-177.7	0	0	0	0	109	F404 E406 L422 E426 L427 Q428 M463	F404-V424 HydrophobicContact CD1-CG2 3.84Å; F404-V424 HydrophobicContact CE1-CG2 3.85Å; E406-V424 HydrophobicContact CB-CG2 4.17Å; L422-V424 PolarHBondContact O-N 2.61Å; V424-E426 VanDerWaalsContact C-N 3.32Å; V424-E426 HydrophobicContact CG1-CB 4.41Å; V424-E426 PolarHBondContact O-N 2.91Å; V424-L427 HydrophobicContact CB-CB 4.26Å; V424-L427 HydrophobicContact CB-CD1 3.94Å; V424-L427 HydrophobicContact CB-CG 3.96Å; V424-L427 HydrophobicContact CG1-CG 4.25Å; V424-L427 HydrophobicContact CG2-CD1 4.11Å; V424-L427 PolarHBondContact O-N 3.46Å; V424-L427 VanDerWaalsContact O-N 3.14Å; V424-Q428 WeakPolarHBondContact O-CG 3Å; V424-Q428 PolarHBondContact O-N 3.4Å; V424-M463 HydrophobicContact CG1-CE 4.25Å; V424-M463 HydrophobicContact CG1-SD 3.81Å
425	E	93.9	Very high	94.1	Very high	144 Å²	144	43.9 Å²	43.9	67%	0.673	21%	0.207	S	C	*	.	H	α-helix	trans	-58.6	-40.6	-175.2	-65.5	-172.1	179.5	0	0	113.2	L427 Q428 K429	E425-L427 VanDerWaalsContact C-N 3.35Å; E425-L427 PolarHBondContact O-N 3.47Å; E425-Q428 PolarHBondContact O-N 3.33Å; E425-K429 VanDerWaalsContact O-CG 3.28Å; E425-K429 WeakPolarHBondContact O-CG 3.26Å; E425-K429 PolarHBondContact O-N 2.89Å
426	E	93.8	Very high	94	Very high	113 Å²	113	47.4 Å²	47.4	53%	0.528	24%	0.244	S	C	.	.	H	α-helix	trans	-62.6	-40.5	178.2	-64.1	-169.5	161.4	0	0	112.3	V424 K429 I430	V424-E426 VanDerWaalsContact C-N 3.32Å; V424-E426 HydrophobicContact CG1-CB 4.41Å; V424-E426 PolarHBondContact O-N 2.91Å; E426-K429 PolarHBondContact O-N 2.61Å; E426-I430 WeakPolarHBondContact O-CG1 3.49Å; E426-I430 PolarHBondContact O-N 3.4Å
427	L	95	Very high	94	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-69.9	-41.7	177.3	-59.6	-179.3	0	0	0	110.9	F404 L422 V424 E425 K429 I430 I431 L456 T459 M460 M463	F404-L427 HydrophobicContact CD1-CD1 3.96Å; F404-L427 HydrophobicContact CE1-CD1 4.11Å; L422-L427 HydrophobicContact CB-CB 4.46Å; L422-L427 HydrophobicContact CB-CD1 4.14Å; L422-L427 HydrophobicContact CD1-CD1 4.37Å; L422-L427 HydrophobicContact CD2-CD1 4.42Å; V424-L427 HydrophobicContact CB-CB 4.26Å; V424-L427 HydrophobicContact CB-CD1 3.94Å; V424-L427 HydrophobicContact CB-CG 3.96Å; V424-L427 HydrophobicContact CG1-CG 4.25Å; V424-L427 HydrophobicContact CG2-CD1 4.11Å; V424-L427 PolarHBondContact O-N 3.46Å; V424-L427 VanDerWaalsContact O-N 3.14Å; E425-L427 VanDerWaalsContact C-N 3.35Å; E425-L427 PolarHBondContact O-N 3.47Å; L427-K429 VanDerWaalsContact C-N 3.33Å; L427-K429 PolarHBondContact O-N 3.16Å; L427-I430 WeakPolarHBondContact O-CB 3.39Å; L427-I430 PolarHBondContact O-N 3.3Å; L427-I430 VanDerWaalsContact O-N 3.1Å; L427-I431 WeakPolarHBondContact O-CD1 3.18Å; L427-I431 WeakPolarHBondContact O-CG1 3.49Å; L427-I431 PolarHBondContact O-N 3.29Å; L427-L456 HydrophobicContact CB-CD2 3.89Å; L427-L456 HydrophobicContact CD2-CD2 3.77Å; L427-L456 HydrophobicContact CG-CD2 4.38Å; L427-T459 HydrophobicContact CD2-CG2 3.75Å; L427-M460 HydrophobicContact CD1-CG 3.62Å; L427-M460 HydrophobicContact CD1-SD 4.16Å; L427-M460 HydrophobicContact CD2-CG 3.92Å; L427-M460 HydrophobicContact CG-CG 4.44Å; L427-M463 HydrophobicContact CD1-CE 3.81Å; L427-M463 HydrophobicContact CD2-CE 3.84Å; L427-M463 HydrophobicContact CG-CE 3.85Å
428	Q	95.3	Very high	93.9	Very high	43 Å²	43	50.7 Å²	50.7	20%	0.201	27%	0.269	C	S	.	.	H	α-helix	trans	-62.3	-39.2	176.6	-69	-57.8	-39.4	0	0	111.6	L419 L422 V424 E425 I430 I431 H432	L419-Q428 PolarHBondContact O-NE2 3.29Å; L422-Q428 PolarHBondContact O-NE2 3.1Å; V424-Q428 WeakPolarHBondContact O-CG 3Å; V424-Q428 PolarHBondContact O-N 3.4Å; E425-Q428 PolarHBondContact O-N 3.33Å; Q428-I430 VanDerWaalsContact C-N 3.26Å; Q428-I430 PolarHBondContact O-N 3.46Å; Q428-I431 PolarHBondContact O-N 2.93Å; Q428-H432 WeakPolarHBondContact O-CB 3.15Å; Q428-H432 PolarHBondContact O-CD2 3.41Å; Q428-H432 PolarHBondContact O-N 2.62Å; Q428-H432 PolarHBondContact OE1-CD2 2.84Å; Q428-H432 PolarHBondContact OE1-NE2 3.25Å; Q428-H432 VanDerWaalsContact OE1-NE2 3.14Å
429	K	95	Very high	93.4	Very high	141 Å²	141	57.6 Å²	57.6	61%	0.613	31%	0.306	S	S	*	.	H	α-helix	trans	-58.6	-36.3	172.7	-73.5	167.5	-170.6	166.7	0	112.7	E425 E426 L427 R433	E425-K429 VanDerWaalsContact O-CG 3.28Å; E425-K429 WeakPolarHBondContact O-CG 3.26Å; E425-K429 PolarHBondContact O-N 2.89Å; E426-K429 PolarHBondContact O-N 2.61Å; L427-K429 VanDerWaalsContact C-N 3.33Å; L427-K429 PolarHBondContact O-N 3.16Å; K429-R433 PolarHBondContact O-N 3.42Å
430	I	95.3	Very high	93.1	Very high	17 Å²	17	61.2 Å²	61.2	9%	0.087	33%	0.332	C	S	.	.	H	α-helix	trans	-70.6	-43.2	176.9	-63.3	165.8	0	0	0	110.6	E426 L427 Q428 R433 T452 E455 L456	E426-I430 WeakPolarHBondContact O-CG1 3.49Å; E426-I430 PolarHBondContact O-N 3.4Å; L427-I430 WeakPolarHBondContact O-CB 3.39Å; L427-I430 PolarHBondContact O-N 3.3Å; L427-I430 VanDerWaalsContact O-N 3.1Å; Q428-I430 VanDerWaalsContact C-N 3.26Å; Q428-I430 PolarHBondContact O-N 3.46Å; I430-R433 WeakPolarHBondContact O-CB 3.32Å; I430-T452 HydrophobicContact CG2-CG2 4.11Å; I430-E455 HydrophobicContact CG2-CB 4.21Å; I430-L456 HydrophobicContact CB-CD2 3.98Å; I430-L456 HydrophobicContact CD1-CD2 4.29Å; I430-L456 HydrophobicContact CG2-CD2 3.97Å; I430-L456 HydrophobicContact CG2-CG 4.07Å
431	I	94.4	Very high	93.1	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	33%	0.332	C	S	.	.	H	α-helix	trans	-64.9	-42.9	180	-65.8	157.5	0	0	0	111.5	L419 L422 L427 Q428 R433 L456	L419-I431 HydrophobicContact CB-CD1 3.92Å; L419-I431 HydrophobicContact CB-CG1 4.3Å; L419-I431 HydrophobicContact CB-CG2 4.31Å; L419-I431 HydrophobicContact CD1-CG1 4.33Å; L419-I431 HydrophobicContact CD1-CG2 4.19Å; L419-I431 HydrophobicContact CD2-CD1 4.28Å; L419-I431 HydrophobicContact CD2-CG1 4.31Å; L422-I431 HydrophobicContact CD1-CD1 4.14Å; L427-I431 WeakPolarHBondContact O-CD1 3.18Å; L427-I431 WeakPolarHBondContact O-CG1 3.49Å; L427-I431 PolarHBondContact O-N 3.29Å; Q428-I431 PolarHBondContact O-N 2.93Å; I431-R433 VanDerWaalsContact C-N 3.29Å; I431-R433 PolarHBondContact O-N 2.69Å; I431-L456 HydrophobicContact CD1-CD2 4.39Å; I431-L456 HydrophobicContact CG1-CD1 4.04Å; I431-L456 HydrophobicContact CG1-CD2 4.1Å
432	H	94.8	Very high	93.1	Very high	74 Å²	74	63.2 Å²	63.2	34%	0.343	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-85.5	4.5	-174.6	-69.8	-69	0	0	0	114.3	Q428 N434 D435	Q428-H432 WeakPolarHBondContact O-CB 3.15Å; Q428-H432 PolarHBondContact O-CD2 3.41Å; Q428-H432 PolarHBondContact O-N 2.62Å; Q428-H432 PolarHBondContact OE1-CD2 2.84Å; Q428-H432 PolarHBondContact OE1-NE2 3.25Å; Q428-H432 VanDerWaalsContact OE1-NE2 3.14Å; H432-N434 PolarHBondContact O-N 2.77Å; H432-N434 VanDerWaalsContact O-N 3.15Å; H432-D435 VanDerWaalsContact CA-OD1 3.3Å; H432-D435 WeakPolarHBondContact CA-OD1 3.19Å; H432-D435 IonicContact CE1-OD2 3.24Å; H432-D435 IonicContact CG-OD1 2.71Å; H432-D435 IonicContact CG-OD2 3.01Å; H432-D435 VanDerWaalsContact ND1-CG 3.28Å; H432-D435 IonicContact ND1-OD1 2.86Å; H432-D435 PolarHBondContact ND1-OD1 2.99Å; H432-D435 VanDerWaalsContact ND1-OD1 3.15Å; H432-D435 IonicContact ND1-OD2 3.19Å; H432-D435 PolarHBondContact ND1-OD2 3.16Å; H432-D435 PolarHBondContact O-N 3.2Å
433	R	93.2	Very high	93	Very high	131 Å²	131	67.4 Å²	67.4	49%	0.494	36%	0.364	S	S	.	.	G	3₁₀ helix	trans	-58.4	-30.6	-176.8	-172.6	-177.3	-63.5	162.5	5.7	113.5	K429 I430 I431 L449 E455	K429-R433 PolarHBondContact O-N 3.42Å; I430-R433 WeakPolarHBondContact O-CB 3.32Å; I431-R433 VanDerWaalsContact C-N 3.29Å; I431-R433 PolarHBondContact O-N 2.69Å; R433-L449 HydrophobicContact CG-CD1 4.24Å; R433-E455 IonicContact CZ-OE2 2.75Å; R433-E455 VanDerWaalsContact CZ-OE2 3.27Å; R433-E455 IonicContact NH1-OE1 3.02Å; R433-E455 PolarHBondContact NH1-OE1 3.34Å; R433-E455 IonicContact NH1-OE2 3.58Å; R433-E455 PolarHBondContact NH1-OE2 3.06Å; R433-E455 IonicContact NH2-OE2 3.99Å; R433-E455 PolarHBondContact NH2-OE2 3.22Å
434	N	93.7	Very high	93	Very high	11 Å²	11	71.7 Å²	71.7	6%	0.059	38%	0.375	C	S	.	.	G	3₁₀ helix	trans	-116.1	24	-178.6	74.1	-38.2	0	0	0	113.6	K323 H432 G436 A437 E438 W447 L449	K323-N434 PolarHBondContact NZ-OD1 3.41Å; H432-N434 PolarHBondContact O-N 2.77Å; H432-N434 VanDerWaalsContact O-N 3.15Å; N434-G436 PolarHBondContact O-N 3.12Å; N434-A437 PolarHBondContact O-N 3.27Å; N434-E438 VanDerWaalsContact O-CD 3.26Å; N434-W447 PolarHBondContact ND2-O 2.9Å; N434-L449 HydrophobicContact CB-CD1 3.99Å; N434-L449 HydrophobicContact CB-CD2 4.04Å; N434-L449 HydrophobicContact CB-CG 3.76Å
435	D	92.3	Very high	93	Very high	86 Å²	86	72.1 Å²	72.1	46%	0.46	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	126	173.2	-81.6	15.2	0	0	0	111.1	K323 H432 A437 E438	K323-D435 WeakPolarHBondContact CE-OD1 3.43Å; K323-D435 IonicContact NZ-OD1 2.69Å; K323-D435 PolarHBondContact NZ-OD1 3.37Å; H432-D435 VanDerWaalsContact CA-OD1 3.3Å; H432-D435 WeakPolarHBondContact CA-OD1 3.19Å; H432-D435 IonicContact CE1-OD2 3.24Å; H432-D435 IonicContact CG-OD1 2.71Å; H432-D435 IonicContact CG-OD2 3.01Å; H432-D435 VanDerWaalsContact ND1-CG 3.28Å; H432-D435 IonicContact ND1-OD1 2.86Å; H432-D435 PolarHBondContact ND1-OD1 2.99Å; H432-D435 VanDerWaalsContact ND1-OD1 3.15Å; H432-D435 IonicContact ND1-OD2 3.19Å; H432-D435 PolarHBondContact ND1-OD2 3.16Å; H432-D435 PolarHBondContact O-N 3.2Å; D435-A437 VanDerWaalsContact C-N 3.28Å; D435-A437 PolarHBondContact O-N 2.97Å; D435-E438 WeakPolarHBondContact CA-OE1 3.44Å
436	G	88.5	Confident	93	Very high	77 Å²	77	65.3 Å²	65.3	79%	0.794	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.6	1.6	-178.4	0	0	0	0	0	114.6	N434 E438	N434-G436 PolarHBondContact O-N 3.12Å; G436-E438 VanDerWaalsContact CA-OE2 3.29Å; G436-E438 WeakPolarHBondContact CA-OE2 3.49Å; G436-E438 PolarHBondContact N-OE1 3.25Å; G436-E438 PolarHBondContact N-OE2 3.4Å
437	A	91.4	Very high	93.1	Very high	55 Å²	55	60.9 Å²	60.9	46%	0.455	32%	0.324	S	S	.	.			trans	-124.3	23.6	178.2	0	0	0	0	0	112.6	N434 D435 N439	N434-A437 PolarHBondContact O-N 3.27Å; D435-A437 VanDerWaalsContact C-N 3.28Å; D435-A437 PolarHBondContact O-N 2.97Å; A437-N439 VanDerWaalsContact C-N 3.31Å; A437-N439 PolarHBondContact O-N 3.21Å
438	E	91.8	Very high	93.1	Very high	33 Å²	33	61.5 Å²	61.5	15%	0.154	33%	0.328	C	S	.	.			trans	-75.1	76.2	178	-61	89.4	168.5	0	0	112.1	P320 K323 N434 D435 G436 W447	P320-E438 HydrophobicContact CB-CB 3.83Å; P320-E438 HydrophobicContact CB-CG 4.29Å; P320-E438 HydrophobicContact CG-CB 4.38Å; K323-E438 HydrophobicContact CD-CG 4.04Å; K323-E438 WeakPolarHBondContact CE-OE1 3.3Å; K323-E438 IonicContact NZ-OE1 2.85Å; K323-E438 PolarHBondContact NZ-OE1 3.35Å; N434-E438 VanDerWaalsContact O-CD 3.26Å; D435-E438 WeakPolarHBondContact CA-OE1 3.44Å; G436-E438 VanDerWaalsContact CA-OE2 3.29Å; G436-E438 WeakPolarHBondContact CA-OE2 3.49Å; G436-E438 PolarHBondContact N-OE1 3.25Å; G436-E438 PolarHBondContact N-OE2 3.4Å; E438-W447 HydrophobicContact CB-CB 4.39Å; E438-W447 HydrophobicContact CB-CD2 4.42Å; E438-W447 HydrophobicContact CB-CE3 3.78Å; E438-W447 HydrophobicContact CB-CZ3 4.4Å; E438-W447 HydrophobicContact CG-CB 4.17Å; E438-W447 WeakPolarHBondContact O-CZ3 3.14Å
439	N	86.1	Confident	93.1	Very high	149 Å²	149	62.7 Å²	62.7	80%	0.797	34%	0.335	S	S	*	.			trans	-84.6	-21.1	-173.8	-63	-18.4	0	0	0	114.2	A437	A437-N439 VanDerWaalsContact C-N 3.31Å; A437-N439 PolarHBondContact O-N 3.21Å
440	S	90.4	Very high	93	Very high	82 Å²	82	60.3 Å²	60.3	57%	0.573	33%	0.334	S	S	*	.			trans	-145.7	133.4	-176.1	62.6	0	0	0	0	112.1
441	C	93.6	Very high	92.8	Very high	32 Å²	32	65.9 Å²	65.9	22%	0.216	36%	0.358	C	S	.	.			trans	-99.7	117.2	172.2	-174.3	0	0	0	0	110.2	G446 W447	C441-G446 WeakPolarHBondContact CA-O 3.49Å; C441-W447 HydrophobicContact CB-CD2 3.74Å; C441-W447 HydrophobicContact CB-CE3 3.87Å; C441-W447 HydrophobicContact CB-CG 4.45Å; C441-W447 HydrophobicContact CB-CH2 3.9Å; C441-W447 HydrophobicContact CB-CZ2 3.75Å; C441-W447 HydrophobicContact CB-CZ3 3.95Å
442	T	94.7	Very high	92.8	Very high	57 Å²	57	66 Å²	66	35%	0.35	36%	0.358	S	S	.	.	B	Isolated β-bridge	trans	-106.2	157.1	178.5	65.6	0	0	0	0	112	P304 R444 D445 G446	P304-T442 WeakPolarHBondContact CG-O 3.49Å; T442-R444 VanDerWaalsContact C-N 3.25Å; T442-R444 PolarHBondContact O-N 3.06Å; T442-D445 PolarHBondContact OG1-N 3.36Å; T442-D445 VanDerWaalsContact OG1-N 3.08Å; T442-G446 PolarHBondContact N-O 3.26Å; T442-G446 WeakPolarHBondContact O-CA 3.44Å; T442-G446 PolarHBondContact O-N 3.32Å; T442-G446 PolarHBondContact OG1-N 3.39Å
443	E	93.9	Very high	92.7	Very high	89 Å²	89	63.8 Å²	63.8	42%	0.416	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-36.2	176.6	-171.6	-178.1	-160.6	0	0	111.8	F230 T302 G303 P304	F230-E443 HydrophobicContact CB-CG 3.95Å; F230-E443 HydrophobicContact CD1-CB 3.56Å; F230-E443 HydrophobicContact CD1-CG 3.8Å; F230-E443 HydrophobicContact CE1-CB 3.78Å; F230-E443 HydrophobicContact CE1-CG 4.48Å; F230-E443 HydrophobicContact CG-CB 4.04Å; F230-E443 HydrophobicContact CG-CG 3.84Å; F230-E443 HydrophobicContact CZ-CB 4.4Å; T302-E443 PolarHBondContact OG1-OE1 3.4Å; G303-E443 VanDerWaalsContact CA-O 3.29Å; G303-E443 WeakPolarHBondContact CA-O 3.49Å; P304-E443 VanDerWaalsContact CD-O 3.25Å; P304-E443 WeakPolarHBondContact CD-O 3.41Å
444	R	92.3	Very high	92.8	Very high	166 Å²	166	59.9 Å²	59.9	63%	0.626	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.4	-53.5	-176.5	-179	-173.2	166.7	-179.4	-1.4	113.2	T442 D454	T442-R444 VanDerWaalsContact C-N 3.25Å; T442-R444 PolarHBondContact O-N 3.06Å; R444-D454 IonicContact NH2-OD2 2.75Å; R444-D454 PolarHBondContact NH2-OD2 3.22Å
445	D	93.1	Very high	92.8	Very high	14 Å²	14	62.7 Å²	62.7	8%	0.075	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.7	-8.9	-168.1	-62.7	-66.4	0	0	0	112.2	Q326 T442 W447 C448 K451	Q326-D445 PolarHBondContact NE2-O 2.73Å; T442-D445 PolarHBondContact OG1-N 3.36Å; T442-D445 VanDerWaalsContact OG1-N 3.08Å; D445-W447 PolarHBondContact O-N 2.83Å; D445-C448 WeakPolarHBondContact O-CB 3.27Å; D445-C448 PolarHBondContact O-N 3.08Å; D445-C448 VanDerWaalsContact O-N 3.09Å; D445-K451 PolarHBondContact OD1-N 3.3Å
446	G	94.8	Very high	92.9	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	33%	0.332	C	S	.	.	B	Isolated β-bridge	trans	61.4	-129.7	-175.3	0	0	0	0	0	110.8	P304 C441 T442 C448	P304-G446 VanDerWaalsContact CG-N 3.34Å; C441-G446 WeakPolarHBondContact CA-O 3.49Å; T442-G446 PolarHBondContact N-O 3.26Å; T442-G446 WeakPolarHBondContact O-CA 3.44Å; T442-G446 PolarHBondContact O-N 3.32Å; T442-G446 PolarHBondContact OG1-N 3.39Å; G446-C448 VanDerWaalsContact C-N 3.35Å
447	W	96.6	Very high	93.2	Very high	20 Å²	20	57.6 Å²	57.6	8%	0.076	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-1.8	176.1	-63.6	112.6	0	0	0	113.4	W305 P316 R317 N319 P320 K323 N434 E438 C441 D445	W305-W447 AromaticContact CH2-CD1 3.57Å; W305-W447 AromaticContact CH2-NE1 3.6Å; W305-W447 AromaticContact CZ2-CD1 3.67Å; W305-W447 AromaticContact CZ2-NE1 3.97Å; P316-W447 PolarHBondContact O-NE1 3.09Å; R317-W447 WeakPolarHBondContact O-CZ2 3.49Å; N319-W447 PolarHBondContact O-NE1 2.86Å; P320-W447 HydrophobicContact CB-CD2 4.45Å; P320-W447 HydrophobicContact CG-CE3 4.37Å; P320-W447 HydrophobicContact CG-CH2 3.86Å; P320-W447 HydrophobicContact CG-CZ2 4.05Å; P320-W447 HydrophobicContact CG-CZ3 4.03Å; K323-W447 HydrophobicContact CB-CB 3.76Å; K323-W447 HydrophobicContact CB-CG 4.42Å; K323-W447 HydrophobicContact CD-CB 4.03Å; K323-W447 HydrophobicContact CG-CB 3.83Å; N434-W447 PolarHBondContact ND2-O 2.9Å; E438-W447 HydrophobicContact CB-CB 4.39Å; E438-W447 HydrophobicContact CB-CD2 4.42Å; E438-W447 HydrophobicContact CB-CE3 3.78Å; E438-W447 HydrophobicContact CB-CZ3 4.4Å; E438-W447 HydrophobicContact CG-CB 4.17Å; E438-W447 WeakPolarHBondContact O-CZ3 3.14Å; C441-W447 HydrophobicContact CB-CD2 3.74Å; C441-W447 HydrophobicContact CB-CE3 3.87Å; C441-W447 HydrophobicContact CB-CG 4.45Å; C441-W447 HydrophobicContact CB-CH2 3.9Å; C441-W447 HydrophobicContact CB-CZ2 3.75Å; C441-W447 HydrophobicContact CB-CZ3 3.95Å; D445-W447 PolarHBondContact O-N 2.83Å
448	C	94.8	Very high	93.3	Very high	13 Å²	13	58.8 Å²	58.8	9%	0.088	30%	0.303	C	S	.	.	S	Bend	trans	-79.1	163.1	174.9	-65.6	0	0	0	0	111.3	D445 G446 T452	D445-C448 WeakPolarHBondContact O-CB 3.27Å; D445-C448 PolarHBondContact O-N 3.08Å; D445-C448 VanDerWaalsContact O-N 3.09Å; G446-C448 VanDerWaalsContact C-N 3.35Å; C448-T452 HydrophobicContact CB-CG2 3.87Å
449	L	94.2	Very high	93.3	Very high	68 Å²	68	58.8 Å²	58.8	36%	0.356	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-66.7	152.8	169.2	-65.3	173	0	0	0	110.5	R433 N434 K451 T452	R433-L449 HydrophobicContact CG-CD1 4.24Å; N434-L449 HydrophobicContact CB-CD1 3.99Å; N434-L449 HydrophobicContact CB-CD2 4.04Å; N434-L449 HydrophobicContact CB-CG 3.76Å; L449-K451 PolarHBondContact O-N 3.05Å; L449-T452 PolarHBondContact N-OG1 2.96Å; L449-T452 VanDerWaalsContact O-CB 3.29Å; L449-T452 WeakPolarHBondContact O-CB 3.38Å; L449-T452 PolarHBondContact O-N 2.8Å; L449-T452 VanDerWaalsContact O-N 3.13Å; L449-T452 PolarHBondContact O-OG1 3.45Å
450	P	93.4	Very high	93.7	Very high	92 Å²	92	51.7 Å²	51.7	60%	0.597	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.5	136.8	173.5	-26.4	35	0	0	0	111.6	T452	P450-T452 PolarHBondContact O-N 3.47Å
451	K	92	Very high	93.7	Very high	133 Å²	133	48.1 Å²	48.1	58%	0.578	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	70.9	2.8	-178.9	-49.6	178.7	178.5	178.2	0	115.9	D445 L449 S453 D454 E455	D445-K451 PolarHBondContact OD1-N 3.3Å; L449-K451 PolarHBondContact O-N 3.05Å; K451-S453 PolarHBondContact O-N 3.08Å; K451-D454 PolarHBondContact O-N 3.11Å; K451-E455 PolarHBondContact O-N 2.87Å
452	T	94.2	Very high	93.5	Very high	3 Å²	3	50.6 Å²	50.6	2%	0.018	25%	0.253	C	S	.	.	H	α-helix	trans	-52.8	-42.6	172.5	-71.1	0	0	0	0	111.7	I430 C448 L449 P450 D454 E455 L456	I430-T452 HydrophobicContact CG2-CG2 4.11Å; C448-T452 HydrophobicContact CB-CG2 3.87Å; L449-T452 PolarHBondContact N-OG1 2.96Å; L449-T452 VanDerWaalsContact O-CB 3.29Å; L449-T452 WeakPolarHBondContact O-CB 3.38Å; L449-T452 PolarHBondContact O-N 2.8Å; L449-T452 VanDerWaalsContact O-N 3.13Å; L449-T452 PolarHBondContact O-OG1 3.45Å; P450-T452 PolarHBondContact O-N 3.47Å; T452-D454 VanDerWaalsContact C-N 3.31Å; T452-D454 PolarHBondContact O-N 2.68Å; T452-E455 PolarHBondContact O-N 3.07Å; T452-L456 HydrophobicContact CG2-CD1 4.03Å; T452-L456 HydrophobicContact CG2-CG 4.44Å; T452-L456 VanDerWaalsContact O-CG 3.26Å; T452-L456 WeakPolarHBondContact O-CG 3.45Å; T452-L456 PolarHBondContact O-N 3.24Å
453	S	92.9	Very high	93.3	Very high	29 Å²	29	48.7 Å²	48.7	20%	0.203	24%	0.24	C	C	.	.	H	α-helix	trans	-65	-32.2	178.2	65.9	0	0	0	0	113.5	K451 R457	K451-S453 PolarHBondContact O-N 3.08Å; S453-R457 VanDerWaalsContact O-CG 3.23Å; S453-R457 WeakPolarHBondContact O-CG 3.41Å; S453-R457 PolarHBondContact O-N 2.77Å; S453-R457 VanDerWaalsContact O-N 3.12Å; S453-R457 PolarHBondContact OG-NH1 3.1Å
454	D	93.3	Very high	93	Very high	49 Å²	49	44.5 Å²	44.5	26%	0.262	22%	0.22	S	C	.	.	H	α-helix	trans	-73.7	-44.4	177.7	-63.4	-38.7	0	0	0	110.7	R444 K451 T452 L456 R457 D458	R444-D454 IonicContact NH2-OD2 2.75Å; R444-D454 PolarHBondContact NH2-OD2 3.22Å; K451-D454 PolarHBondContact O-N 3.11Å; T452-D454 VanDerWaalsContact C-N 3.31Å; T452-D454 PolarHBondContact O-N 2.68Å; D454-L456 VanDerWaalsContact C-N 3.32Å; D454-L456 PolarHBondContact O-N 2.85Å; D454-R457 PolarHBondContact O-N 2.69Å; D454-R457 IonicContact OD1-NH1 2.91Å; D454-R457 PolarHBondContact OD1-NH1 2.93Å; D454-D458 PolarHBondContact O-N 3.33Å
455	E	94.9	Very high	92.6	Very high	69 Å²	69	40.7 Å²	40.7	32%	0.322	21%	0.206	S	C	.	.	H	α-helix	trans	-57.5	-44.2	173	-69.9	-177.4	-161.5	0	0	111.6	I430 R433 K451 T452 R457 D458 T459	I430-E455 HydrophobicContact CG2-CB 4.21Å; R433-E455 IonicContact CZ-OE2 2.75Å; R433-E455 VanDerWaalsContact CZ-OE2 3.27Å; R433-E455 IonicContact NH1-OE1 3.02Å; R433-E455 PolarHBondContact NH1-OE1 3.34Å; R433-E455 IonicContact NH1-OE2 3.58Å; R433-E455 PolarHBondContact NH1-OE2 3.06Å; R433-E455 IonicContact NH2-OE2 3.99Å; R433-E455 PolarHBondContact NH2-OE2 3.22Å; K451-E455 PolarHBondContact O-N 2.87Å; T452-E455 PolarHBondContact O-N 3.07Å; E455-R457 PolarHBondContact O-N 3.29Å; E455-D458 PolarHBondContact O-N 2.89Å; E455-T459 WeakPolarHBondContact O-CB 3.39Å; E455-T459 PolarHBondContact O-N 3.45Å; E455-T459 PolarHBondContact O-OG1 3.41Å
456	L	95.1	Very high	92.4	Very high	1 Å²	1	45.1 Å²	45.1	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-60.8	-45.4	176.2	-71.2	171	0	0	0	112	L328 L419 L427 I430 I431 T452 D454 D458 T459 M460	L328-L456 HydrophobicContact CD1-CB 4.3Å; L328-L456 HydrophobicContact CD1-CD1 4.48Å; L328-L456 HydrophobicContact CD2-CB 3.9Å; L328-L456 HydrophobicContact CD2-CD1 4.37Å; L419-L456 HydrophobicContact CD2-CD1 3.62Å; L427-L456 HydrophobicContact CB-CD2 3.89Å; L427-L456 HydrophobicContact CD2-CD2 3.77Å; L427-L456 HydrophobicContact CG-CD2 4.38Å; I430-L456 HydrophobicContact CB-CD2 3.98Å; I430-L456 HydrophobicContact CD1-CD2 4.29Å; I430-L456 HydrophobicContact CG2-CD2 3.97Å; I430-L456 HydrophobicContact CG2-CG 4.07Å; I431-L456 HydrophobicContact CD1-CD2 4.39Å; I431-L456 HydrophobicContact CG1-CD1 4.04Å; I431-L456 HydrophobicContact CG1-CD2 4.1Å; T452-L456 HydrophobicContact CG2-CD1 4.03Å; T452-L456 HydrophobicContact CG2-CG 4.44Å; T452-L456 VanDerWaalsContact O-CG 3.26Å; T452-L456 WeakPolarHBondContact O-CG 3.45Å; T452-L456 PolarHBondContact O-N 3.24Å; D454-L456 VanDerWaalsContact C-N 3.32Å; D454-L456 PolarHBondContact O-N 2.85Å; L456-D458 VanDerWaalsContact C-N 3.34Å; L456-D458 PolarHBondContact O-N 2.89Å; L456-T459 PolarHBondContact O-N 3.5Å; L456-M460 WeakPolarHBondContact O-CB 3.44Å; L456-M460 VanDerWaalsContact O-CG 3.26Å; L456-M460 WeakPolarHBondContact O-CG 3.3Å; L456-M460 PolarHBondContact O-N 2.81Å
457	R	94	Very high	92	Very high	56 Å²	56	46.1 Å²	46.1	21%	0.211	23%	0.232	C	C	.	.	H	α-helix	trans	-62.7	-40.6	178.2	-73.5	169.7	-173.2	121.1	7.3	112.1	L328 D329 F330 S453 D454 E455 S461	L328-R457 HydrophobicContact CD1-CG 4.16Å; D329-R457 PolarHBondContact O-NE 3.09Å; F330-R457 HydrophobicContact CD2-CG 4.35Å; S453-R457 VanDerWaalsContact O-CG 3.23Å; S453-R457 WeakPolarHBondContact O-CG 3.41Å; S453-R457 PolarHBondContact O-N 2.77Å; S453-R457 VanDerWaalsContact O-N 3.12Å; S453-R457 PolarHBondContact OG-NH1 3.1Å; D454-R457 PolarHBondContact O-N 2.69Å; D454-R457 IonicContact OD1-NH1 2.91Å; D454-R457 PolarHBondContact OD1-NH1 2.93Å; E455-R457 PolarHBondContact O-N 3.29Å; R457-S461 VanDerWaalsContact O-CB 3.27Å; R457-S461 WeakPolarHBondContact O-CB 3.48Å; R457-S461 PolarHBondContact O-N 3.09Å; R457-S461 PolarHBondContact O-OG 3.45Å
458	D	92.6	Very high	91.4	Very high	80 Å²	80	45.2 Å²	45.2	43%	0.428	23%	0.229	S	C	.	.	H	α-helix	trans	-70.2	-43	-178.3	-72	-19.4	0	0	0	111	R333 D454 E455 L456 S461 L462	R333-D458 IonicContact CZ-OD1 3.44Å; R333-D458 IonicContact NH1-OD1 2.77Å; R333-D458 PolarHBondContact NH1-OD1 3.2Å; D454-D458 PolarHBondContact O-N 3.33Å; E455-D458 PolarHBondContact O-N 2.89Å; L456-D458 VanDerWaalsContact C-N 3.34Å; L456-D458 PolarHBondContact O-N 2.89Å; D458-S461 PolarHBondContact O-N 3.22Å; D458-L462 PolarHBondContact O-N 3.05Å
459	T	93.4	Very high	90.7	Very high	33 Å²	33	51.7 Å²	51.7	20%	0.202	25%	0.251	C	S	.	.	H	α-helix	trans	-62.9	-46.9	174.7	-55.7	0	0	0	0	111.4	L427 E455 L456 S461 L462 M463	L427-T459 HydrophobicContact CD2-CG2 3.75Å; E455-T459 WeakPolarHBondContact O-CB 3.39Å; E455-T459 PolarHBondContact O-N 3.45Å; E455-T459 PolarHBondContact O-OG1 3.41Å; L456-T459 PolarHBondContact O-N 3.5Å; T459-S461 VanDerWaalsContact C-N 3.33Å; T459-S461 PolarHBondContact O-N 3.46Å; T459-L462 WeakPolarHBondContact O-CB 3.25Å; T459-L462 PolarHBondContact O-N 3.29Å; T459-L462 VanDerWaalsContact O-N 3.16Å; T459-M463 HydrophobicContact CG2-CE 4.08Å; T459-M463 WeakPolarHBondContact O-CG 3.25Å; T459-M463 PolarHBondContact O-N 3.27Å
460	M	92.7	Very high	90.2	Very high	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-59.6	-41.6	174.3	-73.7	-179.6	72.8	0	0	112.6	L328 F330 F404 Y417 L422 L427 L456 L462 M463 I464	L328-M460 HydrophobicContact CD2-SD 3.69Å; F330-M460 HydrophobicContact CB-CE 4.32Å; F330-M460 HydrophobicContact CD1-CE 4.05Å; F330-M460 HydrophobicContact CD2-CB 3.86Å; F330-M460 HydrophobicContact CD2-CE 3.99Å; F330-M460 HydrophobicContact CD2-SD 3.93Å; F330-M460 HydrophobicContact CE1-CE 4.44Å; F330-M460 HydrophobicContact CE2-CB 3.4Å; F330-M460 VanDerWaalsContact CE2-CB 3.4Å; F330-M460 HydrophobicContact CE2-CE 4.41Å; F330-M460 HydrophobicContact CE2-CG 4.49Å; F330-M460 HydrophobicContact CE2-SD 4.44Å; F330-M460 HydrophobicContact CG-CE 3.82Å; F330-M460 HydrophobicContact CG-SD 4.25Å; F330-M460 HydrophobicContact CZ-CB 3.94Å; F404-M460 HydrophobicContact CB-CE 4.33Å; F404-M460 HydrophobicContact CD1-CE 3.85Å; F404-M460 HydrophobicContact CD2-CE 3.76Å; F404-M460 HydrophobicContact CE1-CE 4.06Å; F404-M460 HydrophobicContact CE1-CG 4.2Å; F404-M460 HydrophobicContact CE2-CE 3.99Å; F404-M460 HydrophobicContact CG-CE 3.7Å; F404-M460 HydrophobicContact CZ-CE 4.12Å; Y417-M460 HydrophobicContact CD2-CE 3.85Å; Y417-M460 HydrophobicContact CE2-CE 3.77Å; L422-M460 HydrophobicContact CD2-CE 4.22Å; L422-M460 HydrophobicContact CD2-SD 4.12Å; L427-M460 HydrophobicContact CD1-CG 3.62Å; L427-M460 HydrophobicContact CD1-SD 4.16Å; L427-M460 HydrophobicContact CD2-CG 3.92Å; L427-M460 HydrophobicContact CG-CG 4.44Å; L456-M460 WeakPolarHBondContact O-CB 3.44Å; L456-M460 VanDerWaalsContact O-CG 3.26Å; L456-M460 WeakPolarHBondContact O-CG 3.3Å; L456-M460 PolarHBondContact O-N 2.81Å; M460-L462 VanDerWaalsContact C-N 3.3Å; M460-L462 PolarHBondContact O-N 2.93Å; M460-M463 HydrophobicContact CB-CE 4.43Å; M460-M463 HydrophobicContact CG-CE 4.08Å; M460-M463 PolarHBondContact O-N 3.4Å; M460-I464 WeakPolarHBondContact O-CG1 3.17Å; M460-I464 PolarHBondContact O-N 3.27Å
461	S	90.3	Very high	89.4	Confident	7 Å²	7	55.1 Å²	55.1	5%	0.049	27%	0.266	C	S	.	.	H	α-helix	trans	-65.6	-34	177.3	-62	0	0	0	0	112.2	R457 D458 T459 R465	R457-S461 VanDerWaalsContact O-CB 3.27Å; R457-S461 WeakPolarHBondContact O-CB 3.48Å; R457-S461 PolarHBondContact O-N 3.09Å; R457-S461 PolarHBondContact O-OG 3.45Å; D458-S461 PolarHBondContact O-N 3.22Å; T459-S461 VanDerWaalsContact C-N 3.33Å; T459-S461 PolarHBondContact O-N 3.46Å; S461-R465 WeakPolarHBondContact O-CB 3.4Å; S461-R465 VanDerWaalsContact O-CG 3.27Å; S461-R465 WeakPolarHBondContact O-CG 3.3Å; S461-R465 PolarHBondContact O-N 3.21Å; S461-R465 VanDerWaalsContact O-N 3.14Å; S461-R465 PolarHBondContact O-NE 3.07Å; S461-R465 VanDerWaalsContact O-NE 3.15Å
462	L	89.4	Confident	88.4	Confident	84 Å²	84	54 Å²	54	44%	0.44	26%	0.258	S	S	.	.	H	α-helix	trans	-67.6	-48.5	174.5	-176.1	62.9	0	0	0	111.3	D458 T459 M460 I464 R465 Q466	D458-L462 PolarHBondContact O-N 3.05Å; T459-L462 WeakPolarHBondContact O-CB 3.25Å; T459-L462 PolarHBondContact O-N 3.29Å; T459-L462 VanDerWaalsContact O-N 3.16Å; M460-L462 VanDerWaalsContact C-N 3.3Å; M460-L462 PolarHBondContact O-N 2.93Å; L462-I464 PolarHBondContact O-N 3.5Å; L462-R465 PolarHBondContact O-N 2.98Å; L462-Q466 WeakPolarHBondContact O-CG 3.47Å; L462-Q466 PolarHBondContact O-N 3.28Å
463	M	90.6	Very high	86.8	Confident	17 Å²	17	58.2 Å²	58.2	8%	0.084	29%	0.286	C	S	.	.	H	α-helix	trans	-58.1	-47.8	177.9	-70.8	-174	-74.5	0	0	111.8	F404 V424 L427 T459 M460 R465 Q466 T467	F404-M463 HydrophobicContact CE1-CE 3.86Å; F404-M463 HydrophobicContact CZ-CE 4.46Å; V424-M463 HydrophobicContact CG1-CE 4.25Å; V424-M463 HydrophobicContact CG1-SD 3.81Å; L427-M463 HydrophobicContact CD1-CE 3.81Å; L427-M463 HydrophobicContact CD2-CE 3.84Å; L427-M463 HydrophobicContact CG-CE 3.85Å; T459-M463 HydrophobicContact CG2-CE 4.08Å; T459-M463 WeakPolarHBondContact O-CG 3.25Å; T459-M463 PolarHBondContact O-N 3.27Å; M460-M463 HydrophobicContact CB-CE 4.43Å; M460-M463 HydrophobicContact CG-CE 4.08Å; M460-M463 PolarHBondContact O-N 3.4Å; M463-R465 VanDerWaalsContact C-N 3.34Å; M463-R465 PolarHBondContact O-N 2.98Å; M463-Q466 WeakPolarHBondContact O-CB 3.21Å; M463-Q466 PolarHBondContact O-N 3.11Å; M463-Q466 VanDerWaalsContact O-N 3.17Å; M463-T467 PolarHBondContact O-N 2.85Å; M463-T467 PolarHBondContact O-OG1 2.84Å
464	I	88.6	Confident	85.1	Confident	1 Å²	1	60.9 Å²	60.9	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-63.1	-40.8	178.9	-71.4	164.9	0	0	0	111.3	F330 F404 L409 P410 M460 L462 Q466 T467 I468	F330-I464 HydrophobicContact CE1-CD1 3.37Å; F330-I464 HydrophobicContact CZ-CD1 3.47Å; F330-I464 VanDerWaalsContact CZ-CD1 3.47Å; F404-I464 HydrophobicContact CE2-CD1 4.15Å; F404-I464 HydrophobicContact CE2-CG1 4.29Å; F404-I464 HydrophobicContact CZ-CD1 4.44Å; F404-I464 HydrophobicContact CZ-CG1 4.32Å; L409-I464 HydrophobicContact CD2-CG2 4.04Å; P410-I464 HydrophobicContact CG-CD1 3.96Å; M460-I464 WeakPolarHBondContact O-CG1 3.17Å; M460-I464 PolarHBondContact O-N 3.27Å; L462-I464 PolarHBondContact O-N 3.5Å; I464-Q466 VanDerWaalsContact C-N 3.32Å; I464-Q466 PolarHBondContact O-N 3.37Å; I464-T467 PolarHBondContact O-N 2.89Å; I464-I468 HydrophobicContact CG2-CD1 3.75Å; I464-I468 HydrophobicContact CG2-CG1 4.27Å; I464-I468 VanDerWaalsContact O-CG1 3.28Å; I464-I468 WeakPolarHBondContact O-CG1 3.33Å; I464-I468 PolarHBondContact O-N 2.69Å
465	R	84.6	Confident	83.2	Confident	86 Å²	86	61.8 Å²	61.8	33%	0.325	31%	0.314	S	S	.	.	H	α-helix	trans	-60.6	-42	175.1	-80.1	-178.3	-65.5	177.5	1.1	111.8	S461 L462 M463 I468 R469	S461-R465 WeakPolarHBondContact O-CB 3.4Å; S461-R465 VanDerWaalsContact O-CG 3.27Å; S461-R465 WeakPolarHBondContact O-CG 3.3Å; S461-R465 PolarHBondContact O-N 3.21Å; S461-R465 VanDerWaalsContact O-N 3.14Å; S461-R465 PolarHBondContact O-NE 3.07Å; S461-R465 VanDerWaalsContact O-NE 3.15Å; L462-R465 PolarHBondContact O-N 2.98Å; M463-R465 VanDerWaalsContact C-N 3.34Å; M463-R465 PolarHBondContact O-N 2.98Å; R465-I468 PolarHBondContact O-N 2.9Å; R465-R469 WeakPolarHBondContact O-CB 3.28Å; R465-R469 VanDerWaalsContact O-CG 3.27Å; R465-R469 WeakPolarHBondContact O-CG 3.31Å; R465-R469 PolarHBondContact O-N 3.27Å
466	Q	87.4	Confident	81.2	Confident	107 Å²	107	62.3 Å²	62.3	50%	0.5	32%	0.315	S	S	.	.	H	α-helix	trans	-63.2	-45.7	174.9	-69.6	169.8	-13.4	0	0	111	L462 M463 I464 I468 R469 S470	L462-Q466 WeakPolarHBondContact O-CG 3.47Å; L462-Q466 PolarHBondContact O-N 3.28Å; M463-Q466 WeakPolarHBondContact O-CB 3.21Å; M463-Q466 PolarHBondContact O-N 3.11Å; M463-Q466 VanDerWaalsContact O-N 3.17Å; I464-Q466 VanDerWaalsContact C-N 3.32Å; I464-Q466 PolarHBondContact O-N 3.37Å; Q466-I468 PolarHBondContact O-N 3.07Å; Q466-R469 PolarHBondContact O-N 2.88Å; Q466-S470 PolarHBondContact O-N 3.32Å; Q466-S470 PolarHBondContact O-OG 2.92Å; Q466-S470 VanDerWaalsContact O-OG 3.08Å
467	T	87.8	Confident	78.7	Confident	20 Å²	20	66.9 Å²	66.9	12%	0.123	35%	0.347	C	S	.	.	H	α-helix	trans	-59.9	-43.8	176.6	-53	0	0	0	0	112.4	G407 L409 M463 I464 S470 K471	G407-T467 WeakPolarHBondContact O-CG2 3.27Å; L409-T467 HydrophobicContact CD2-CG2 3.87Å; L409-T467 HydrophobicContact CG-CG2 4.07Å; M463-T467 PolarHBondContact O-N 2.85Å; M463-T467 PolarHBondContact O-OG1 2.84Å; I464-T467 PolarHBondContact O-N 2.89Å; T467-S470 PolarHBondContact O-N 3.32Å; T467-K471 HydrophobicContact CG2-CD 4.28Å; T467-K471 WeakPolarHBondContact O-CB 3.41Å; T467-K471 WeakPolarHBondContact O-CG 3.44Å; T467-K471 PolarHBondContact O-N 3.41Å
468	I	82.8	Confident	76.3	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.005	37%	0.374	C	S	.	.	H	α-helix	trans	-62.5	-45.2	177.3	-67.5	168.7	0	0	0	110.4	Y340 L345 P346 L409 I464 R465 Q466 S470 K471 R472	Y340-I468 HydrophobicContact CE1-CG2 3.87Å; L345-I468 HydrophobicContact CD2-CD1 4.21Å; P346-I468 HydrophobicContact CG-CG1 4.03Å; P346-I468 HydrophobicContact CG-CG2 4.49Å; L409-I468 HydrophobicContact CD2-CG1 3.83Å; I464-I468 HydrophobicContact CG2-CD1 3.75Å; I464-I468 HydrophobicContact CG2-CG1 4.27Å; I464-I468 VanDerWaalsContact O-CG1 3.28Å; I464-I468 WeakPolarHBondContact O-CG1 3.33Å; I464-I468 PolarHBondContact O-N 2.69Å; R465-I468 PolarHBondContact O-N 2.9Å; Q466-I468 PolarHBondContact O-N 3.07Å; I468-S470 VanDerWaalsContact C-N 3.33Å; I468-S470 PolarHBondContact O-N 2.87Å; I468-K471 PolarHBondContact O-N 2.87Å; I468-R472 PolarHBondContact O-N 2.96Å
469	R	81.4	Confident	73.8	Confident	150 Å²	150	71.1 Å²	71.1	57%	0.566	39%	0.392	S	S	*	.	H	α-helix	trans	-61.4	-40	177.5	-73.8	175.6	68.4	157.8	3.2	112.3	R465 Q466 R472 F476	R465-R469 WeakPolarHBondContact O-CB 3.28Å; R465-R469 VanDerWaalsContact O-CG 3.27Å; R465-R469 WeakPolarHBondContact O-CG 3.31Å; R465-R469 PolarHBondContact O-N 3.27Å; Q466-R469 PolarHBondContact O-N 2.88Å; R469-R472 CarbonylContact O-C 3.54Å; R469-F476 HydrophobicContact CB-CD2 4.3Å; R469-F476 HydrophobicContact CB-CE2 4.28Å; R469-F476 HydrophobicContact CG-CD2 3.82Å; R469-F476 HydrophobicContact CG-CE1 4.3Å; R469-F476 HydrophobicContact CG-CE2 3.59Å; R469-F476 HydrophobicContact CG-CG 4.29Å; R469-F476 HydrophobicContact CG-CZ 3.85Å
470	S	82.1	Confident	71	Confident	98 Å²	98	74.1 Å²	74.1	69%	0.685	42%	0.42	S	S	*	.	H	α-helix	trans	-70.9	-37.2	178.4	-60.2	0	0	0	0	112.9	Q466 T467 I468	Q466-S470 PolarHBondContact O-N 3.32Å; Q466-S470 PolarHBondContact O-OG 2.92Å; Q466-S470 VanDerWaalsContact O-OG 3.08Å; T467-S470 PolarHBondContact O-N 3.32Å; I468-S470 VanDerWaalsContact C-N 3.33Å; I468-S470 PolarHBondContact O-N 2.87Å
471	K	76.9	Confident	68.3	Low	133 Å²	133	83.5 Å²	83.5	58%	0.578	46%	0.461	S	S	*	.	H	α-helix	trans	-78	-25.8	-179.8	-73.8	-171.1	176.9	-170.7	0	113.8	L409 T467 I468	L409-K471 HydrophobicContact CD1-CD 4.24Å; T467-K471 HydrophobicContact CG2-CD 4.28Å; T467-K471 WeakPolarHBondContact O-CB 3.41Å; T467-K471 WeakPolarHBondContact O-CG 3.44Å; T467-K471 PolarHBondContact O-N 3.41Å; I468-K471 PolarHBondContact O-N 2.87Å
472	R	70.7	Confident	65.5	Low	110 Å²	110	87.7 Å²	87.7	42%	0.415	50%	0.496	S	S	.	.			trans	-132.5	72.9	178	-71.3	-173.6	175.4	176.2	-8.1	111.2	D344 I468 R469 A474 L475	D344-R472 PolarHBondContact O-NH1 2.75Å; I468-R472 PolarHBondContact O-N 2.96Å; R469-R472 CarbonylContact O-C 3.54Å; R472-A474 PolarHBondContact O-N 2.86Å; R472-L475 HydrophobicContact CB-CD1 3.79Å; R472-L475 HydrophobicContact CB-CG 4.17Å; R472-L475 HydrophobicContact CG-CD1 4.36Å; R472-L475 PolarHBondContact O-N 2.9Å
473	P	60.5	Low	62.7	Low	92 Å²	92	92.1 Å²	92.1	60%	0.597	52%	0.52	S	S	*	.	G	3₁₀ helix	trans	-63.2	-26.2	179.2	22.3	-30.2	0	0	0	113.1	L475 F476 S477	P473-L475 VanDerWaalsContact C-N 3.28Å; P473-L475 PolarHBondContact O-N 2.92Å; P473-F476 PolarHBondContact O-N 2.83Å; P473-F476 VanDerWaalsContact O-N 3.16Å; P473-S477 PolarHBondContact O-N 2.79Å
474	A	57.8	Low	59.8	Low	84 Å²	84	94.6 Å²	94.6	69%	0.694	55%	0.55	S	S	*	*	G	3₁₀ helix	trans	-63.1	-26.5	178.4	0	0	0	0	0	114.2	R472 F476 S477	R472-A474 PolarHBondContact O-N 2.86Å; A474-F476 PolarHBondContact O-N 3.21Å; A474-S477 PolarHBondContact O-OG 2.96Å
475	L	54.6	Low	57	Low	69 Å²	69	98.2 Å²	98.2	36%	0.361	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-72.8	-12.6	177.1	-71.1	173	0	0	0	113.3	D344 R472 P473	D344-L475 HydrophobicContact CB-CD1 4.11Å; D344-L475 HydrophobicContact CB-CD2 4.44Å; R472-L475 HydrophobicContact CB-CD1 3.79Å; R472-L475 HydrophobicContact CB-CG 4.17Å; R472-L475 HydrophobicContact CG-CD1 4.36Å; R472-L475 PolarHBondContact O-N 2.9Å; P473-L475 VanDerWaalsContact C-N 3.28Å; P473-L475 PolarHBondContact O-N 2.92Å
476	F	52.5	Low	54.4	Low	79 Å²	79	104.2 Å²	104.2	35%	0.346	62%	0.616	S	S	.	*	S	Bend	trans	-121.9	1.7	-172.3	-63.8	-76.7	0	0	0	114.3	Y340 R469 P473 A474 S478	Y340-F476 HydrophobicContact CD1-CZ 4.45Å; Y340-F476 HydrophobicContact CE1-CE1 4.4Å; Y340-F476 HydrophobicContact CE1-CE2 4.34Å; Y340-F476 AromaticContact CE1-CZ 3.51Å; Y340-F476 HydrophobicContact CE1-CZ 3.51Å; Y340-F476 AromaticContact CZ-CZ 3.61Å; Y340-F476 WeakPolarHBondContact OH-CZ 2.97Å; R469-F476 HydrophobicContact CB-CD2 4.3Å; R469-F476 HydrophobicContact CB-CE2 4.28Å; R469-F476 HydrophobicContact CG-CD2 3.82Å; R469-F476 HydrophobicContact CG-CE1 4.3Å; R469-F476 HydrophobicContact CG-CE2 3.59Å; R469-F476 HydrophobicContact CG-CG 4.29Å; R469-F476 HydrophobicContact CG-CZ 3.85Å; P473-F476 PolarHBondContact O-N 2.83Å; P473-F476 VanDerWaalsContact O-N 3.16Å; A474-F476 PolarHBondContact O-N 3.21Å; F476-S478 PolarHBondContact O-N 3.07Å; F476-S478 VanDerWaalsContact O-N 3.14Å
477	S	42.5	Very low	52	Low	97 Å²	97	103.4 Å²	103.4	68%	0.678	64%	0.637	S	S	*	*			trans	-80.1	87.7	166.3	61.7	0	0	0	0	109.2	P473 A474	P473-S477 PolarHBondContact O-N 2.79Å; A474-S477 PolarHBondContact O-OG 2.96Å
478	S	43.1	Very low	49.1	Very low	109 Å²	109	110.4 Å²	110.4	76%	0.762	67%	0.668	S	S	*	*			trans	-86.2	136.5	162.1	55.9	0	0	0	0	110.3	F476 A480	F476-S478 PolarHBondContact O-N 3.07Å; F476-S478 VanDerWaalsContact O-N 3.14Å; S478-A480 PolarHBondContact O-N 3.1Å; S478-A480 VanDerWaalsContact O-N 3.16Å
479	S	39.3	Very low	46.7	Very low	117 Å²	117	119.3 Å²	119.3	82%	0.818	72%	0.715	S	S	*	*			trans	-44.1	105.8	178.2	55.4	0	0	0	0	113.8	K481	S479-K481 PolarHBondContact O-N 3.31Å
480	A	36.5	Very low	43.9	Very low	96 Å²	96	116.9 Å²	116.9	79%	0.793	72%	0.717	S	S	*	*			trans	-83.6	90	154	0	0	0	0	0	108.3	S478	S478-A480 PolarHBondContact O-N 3.1Å; S478-A480 VanDerWaalsContact O-N 3.16Å
481	K	34.4	Very low	41.3	Very low	196 Å²	196	123 Å²	123	85%	0.852	73%	0.726	S	S	*	*			trans	170	127.3	138.7	-92.1	164.9	-173.6	-175.4	0	114	S479	S479-K481 PolarHBondContact O-N 3.31Å
482	A	32.1	Very low	38.8	Very low	96 Å²	96	125 Å²	125	79%	0.793	74%	0.738	S	S	*	*			trans	76.3	99.3	145.3	0	0	0	0	0	121.3
483	D	31.8	Very low	37	Very low	177 Å²	177	124.3 Å²	124.3	95%	0.947	75%	0.75	S	S	*	*				35.2	133.1	115.3	-157.5	23	0	0	0	121.3
484	G	28	Very low	35.3	Very low	69 Å²	69	122.9 Å²	122.9	71%	0.711	75%	0.752	S	S	*	*			trans	136.6	95.3	164.3	0	0	0	0	0	115.3
485	G	30.2	Very low	33.9	Very low	77 Å²	77	127.3 Å²	127.3	79%	0.794	76%	0.758	S	S	*	*			trans	-73.6	157.1	-170.6	0	0	0	0	0	118.7
486	K	29.7	Very low	32.7	Very low	211 Å²	211	131.3 Å²	131.3	92%	0.917	78%	0.78	S	S	*	*				178.1	123.8	128.2	-100	176.3	-179	177.8	0	108.5	Q488	K486-Q488 PolarHBondContact O-N 3.04Å
487	G	38.1	Very low	31.5	Very low	91 Å²	91	136.8 Å²	136.8	94%	0.938	81%	0.807	S	S	*	*			trans	-69.4	115.5	176	0	0	0	0	0	111.4
488	Q	25.9	Very low	30.9	Very low	167 Å²	167	140.4 Å²	140.4	78%	0.78	81%	0.813	S	S	*	*			trans	-129.1	112.9	162.2	-168.2	162.1	-4.7	0	0	107	K486 T490	K486-Q488 PolarHBondContact O-N 3.04Å; Q488-T490 VanDerWaalsContact C-N 3.34Å; Q488-T490 PolarHBondContact O-N 2.9Å
489	L	32.5	Very low	30.1	Very low	187 Å²	187	144.3 Å²	144.3	98%	0.979	82%	0.819	S	S	*	*			trans	-73	89.1	173.8	-83.8	157.4	0	0	0	108.4
490	T	23	Very low	29.5	Very low	99 Å²	99	144.9 Å²	144.9	61%	0.607	81%	0.813	S	S	*	*			trans	-98	117.6	164.3	28.9	0	0	0	0	108.7	Q488 E492	Q488-T490 VanDerWaalsContact C-N 3.34Å; Q488-T490 PolarHBondContact O-N 2.9Å; T490-E492 PolarHBondContact O-N 2.89Å; T490-E492 VanDerWaalsContact O-N 3.17Å
491	Y	26.8	Very low	29	Very low	226 Å²	226	149.2 Å²	149.2	89%	0.886	82%	0.817	S	S	*	*			trans	-77.4	91.1	170.1	-160.1	-89.1	0	0	0	106.8	S493	Y491-S493 PolarHBondContact O-N 3.17Å
492	E	24.2	Very low	28.7	Very low	175 Å²	175	147.4 Å²	147.4	82%	0.818	81%	0.811	S	S	*	*			trans	-79	114.1	171.5	-79.7	-171.9	161.4	0	0	109.3	T490 G494	T490-E492 PolarHBondContact O-N 2.89Å; T490-E492 VanDerWaalsContact O-N 3.17Å; E492-G494 PolarHBondContact O-N 3.45Å
493	S	33.8	Very low	28.4	Very low	96 Å²	96	152 Å²	152	67%	0.671	82%	0.816	S	S	*	*			trans	-71	95.1	162.6	180	0	0	0	0	107	Y491 E495	Y491-S493 PolarHBondContact O-N 3.17Å; S493-E495 PolarHBondContact O-N 3.42Å
494	G	24.7	Very low	28.2	Very low	62 Å²	62	151.2 Å²	151.2	64%	0.639	81%	0.807	S	S	*	*			trans	-70.7	103.5	168	0	0	0	0	0	109.3	E492	E492-G494 PolarHBondContact O-N 3.45Å
495	E	29.2	Very low	28.1	Very low	177 Å²	177	156.5 Å²	156.5	83%	0.827	81%	0.813	S	S	*	*			trans	-77.4	105.2	156.7	-67.2	174.8	168.3	0	0	105.6	S493	S493-E495 PolarHBondContact O-N 3.42Å
496	D	28.3	Very low	28.1	Very low	153 Å²	153	161.9 Å²	161.9	82%	0.818	82%	0.818	S	S	*	*			trans	-109.9	115.6	172.9	-74.3	-36.3	0	0	0	108.5
497	E	27.4	Very low	28	Very low	195 Å²	195	158.9 Å²	158.9	91%	0.911	81%	0.807	S	S	*	*			trans	-66.8	120.7	172	-63.9	177.4	158.3	0	0	108.7	E499	E497-E499 PolarHBondContact O-N 3.14Å
498	E	30.4	Very low	27.7	Very low	173 Å²	173	164.3 Å²	164.3	81%	0.808	81%	0.808	S	S	*	*			trans	-78	110.5	170.7	-67.2	-174	164.5	0	0	108.1	D500	E498-D500 PolarHBondContact O-N 3Å
499	E	25.1	Very low	28.1	Very low	190 Å²	190	160 Å²	160	89%	0.888	79%	0.79	S	S	*	*			trans	-75.4	100	161.1	-80.4	-177.8	159.3	0	0	108	E497 E501	E497-E499 PolarHBondContact O-N 3.14Å; E499-E501 PolarHBondContact O-N 2.91Å; E499-E501 VanDerWaalsContact O-N 3.16Å
500	D	27.3	Very low	28.1	Very low	129 Å²	129	155.3 Å²	155.3	69%	0.69	76%	0.762	S	S	*	*			trans	-69.5	96.9	170.3	-75.1	-47	0	0	0	109.9	E498 E502	E498-D500 PolarHBondContact O-N 3Å; D500-E502 HydrophobicContact CB-CG 4.49Å; D500-E502 PolarHBondContact O-N 3.12Å
501	E	26.8	Very low	28.8	Very low	188 Å²	188	159.3 Å²	159.3	88%	0.879	77%	0.771	S	S	*	*			trans	-81.4	89.4	156.5	-76.7	-172.8	165.4	0	0	108.5	E499 E503	E499-E501 PolarHBondContact O-N 2.91Å; E499-E501 VanDerWaalsContact O-N 3.16Å; E501-E503 PolarHBondContact O-N 2.71Å; E501-E503 VanDerWaalsContact O-N 3.12Å
502	E	27.4	Very low	29.2	Very low	158 Å²	158	151.3 Å²	151.3	74%	0.738	75%	0.747	S	S	*	*			trans	-68.2	94.6	167.9	-68.6	-177.4	153.4	0	0	110	D500 E504	D500-E502 HydrophobicContact CB-CG 4.49Å; D500-E502 PolarHBondContact O-N 3.12Å; E502-E504 PolarHBondContact O-N 3.09Å
503	E	25.8	Very low	29.9	Very low	191 Å²	191	148.2 Å²	148.2	89%	0.893	74%	0.744	S	S	*	*			trans	-76.9	94.6	153.5	-80	-171.9	165.1	0	0	108.2	E501 E505	E501-E503 PolarHBondContact O-N 2.71Å; E501-E503 VanDerWaalsContact O-N 3.12Å; E503-E505 PolarHBondContact O-N 2.76Å
504	E	28.1	Very low	30	Very low	162 Å²	162	150.4 Å²	150.4	76%	0.757	75%	0.749	S	S	*	*			trans	-59.8	93.1	167	-71.2	-177.4	160.9	0	0	110.6	E502	E502-E504 PolarHBondContact O-N 3.09Å
505	E	25.4	Very low	30.7	Very low	179 Å²	179	148.4 Å²	148.4	84%	0.836	73%	0.728	S	S	*	*			trans	-111.1	84.6	149.7	-78.9	-168	166.3	0	0	108.6	E503 E507	E503-E505 PolarHBondContact O-N 2.76Å; E505-E507 PolarHBondContact O-N 3.45Å
506	E	30.2	Very low	31.3	Very low	190 Å²	190	140.9 Å²	140.9	89%	0.888	70%	0.695	S	S	*	*			trans	-65.6	78.5	162.6	-72.8	-169.1	154.4	0	0	110.1
507	E	28.2	Very low	31.9	Very low	148 Å²	148	137.6 Å²	137.6	69%	0.692	68%	0.675	S	S	*	*			trans	-103.4	120.6	145.2	-77.2	-165.6	151.2	0	0	107	E505 D509	E505-E507 PolarHBondContact O-N 3.45Å; E507-D509 PolarHBondContact O-N 3.25Å
508	E	32	Very low	33.1	Very low	206 Å²	206	130.4 Å²	130.4	96%	0.963	64%	0.642	S	S	*	*			trans	-63.8	69.8	165.2	-79.4	-174	147.9	0	0	109.4	F510	E508-F510 PolarHBondContact O-N 3.28Å
509	D	33.3	Very low	34.6	Very low	77 Å²	77	123.7 Å²	123.7	41%	0.412	61%	0.611	S	S	.	*			trans	-67.2	123.2	170.3	-101.7	-20.3	0	0	0	107.2	K398 E507 K511	K398-D509 WeakPolarHBondContact CE-OD2 3.34Å; K398-D509 IonicContact NZ-OD2 2.93Å; K398-D509 PolarHBondContact NZ-OD2 3.26Å; E507-D509 PolarHBondContact O-N 3.25Å; D509-K511 PolarHBondContact O-N 2.92Å
510	F	33.6	Very low	36.4	Very low	87 Å²	87	115.9 Å²	115.9	38%	0.382	58%	0.575	S	S	.	*			trans	-54	102.9	173.6	177	-96.8	0	0	0	109.4	P286 E508 P512	P286-F510 HydrophobicContact CB-CZ 4.49Å; P286-F510 HydrophobicContact CG-CE1 4.04Å; P286-F510 HydrophobicContact CG-CE2 4.02Å; P286-F510 HydrophobicContact CG-CZ 3.51Å; E508-F510 PolarHBondContact O-N 3.28Å; F510-P512 WeakPolarHBondContact O-CD 3.36Å
511	K	36.6	Very low	38	Very low	184 Å²	184	114.7 Å²	114.7	80%	0.8	57%	0.565	S	S	*	*			trans	-62.3	123.4	176.8	-70	-173.8	179	176.7	0	108.3	D509 S513	D509-K511 PolarHBondContact O-N 2.92Å; K511-S513 PolarHBondContact O-N 2.75Å
512	P	35.1	Very low	39.7	Very low	58 Å²	58	107.7 Å²	107.7	38%	0.377	54%	0.535	S	S	.	.			trans	-51.7	134.1	171.8	-24.1	33.4	0	0	0	109.2	L397 F510 D514	L397-P512 HydrophobicContact CD2-CG 4.49Å; F510-P512 WeakPolarHBondContact O-CD 3.36Å; P512-D514 PolarHBondContact O-N 3.49Å
513	S	38.8	Very low	42	Very low	109 Å²	109	100.5 Å²	100.5	76%	0.762	50%	0.501	S	S	*	.			trans	-45.4	135.8	176.1	175.1	0	0	0	0	110.6	K511 G515	K511-S513 PolarHBondContact O-N 2.75Å; S513-G515 PolarHBondContact O-N 3.35Å
514	D	35.5	Very low	44.4	Very low	143 Å²	143	93 Å²	93	77%	0.765	47%	0.468	S	S	*	.			trans	-66.6	53.8	-179.5	-131.4	1.8	0	0	0	111.7	P512	P512-D514 PolarHBondContact O-N 3.49Å
515	G	40.5	Very low	46.5	Very low	19 Å²	19	91.1 Å²	91.1	20%	0.196	46%	0.462	C	S	.	.			trans	-80.4	-177.6	-171.1	0	0	0	0	0	114.1	R351 S513	R351-G515 WeakPolarHBondContact CD-O 3.4Å; S513-G515 PolarHBondContact O-N 3.35Å
516	S	42	Very low	48.7	Very low	19 Å²	19	84.7 Å²	84.7	13%	0.133	43%	0.433	C	S	.	.			trans	-65.2	153.9	-172.3	-173	0	0	0	0	113	R351 N518 T522	R351-S516 VanDerWaalsContact NH1-CA 3.29Å; R351-S516 PolarHBondContact NH2-OG 3.25Å; S516-N518 WeakPolarHBondContact CB-O 3.37Å; S516-N518 PolarHBondContact O-N 3.37Å; S516-N518 PolarHBondContact OG-N 2.83Å; S516-N518 VanDerWaalsContact OG-N 3.11Å; S516-T522 PolarHBondContact N-OG1 2.84Å
517	E	40.6	Very low	50.8	Low	85 Å²	85	75.9 Å²	75.9	40%	0.397	39%	0.392	S	S	.	.	S	Bend	trans	-54.8	-32.6	161.2	-76	-177.4	171.5	0	0	109.3	R351 Q414 E519	R351-E517 VanDerWaalsContact CZ-N 3.27Å; Q414-E517 PolarHBondContact NE2-O 3.27Å; Q414-E517 VanDerWaalsContact NE2-O 3.13Å; Q414-E517 PolarHBondContact OE1-O 3.06Å; E517-E519 PolarHBondContact O-N 3.45Å
518	N	53.3	Low	52.4	Low	44 Å²	44	72.2 Å²	72.2	24%	0.235	38%	0.379	C	S	.	.	S	Bend	trans	-90.7	85	169.7	-146.3	9	0	0	0	109.8	S516 M520 E521 T522	S516-N518 WeakPolarHBondContact CB-O 3.37Å; S516-N518 PolarHBondContact O-N 3.37Å; S516-N518 PolarHBondContact OG-N 2.83Å; S516-N518 VanDerWaalsContact OG-N 3.11Å; N518-M520 PolarHBondContact O-N 3.04Å; N518-M520 VanDerWaalsContact O-N 3.07Å; N518-E521 HydrophobicContact CB-CB 4.13Å; N518-E521 HydrophobicContact CB-CG 3.95Å; N518-E521 VanDerWaalsContact ND2-CD 3.26Å; N518-E521 WeakPolarHBondContact ND2-CG 3.38Å; N518-E521 PolarHBondContact ND2-OE1 3.11Å; N518-E521 PolarHBondContact O-N 2.78Å; N518-T522 PolarHBondContact O-N 3.35Å; N518-T522 PolarHBondContact O-OG1 3.19Å
519	E	61.1	Low	53.4	Low	31 Å²	31	65.6 Å²	65.6	15%	0.145	35%	0.35	C	S	.	.	H	α-helix	trans	-47.6	-38.7	179.2	-175.3	168.1	164.6	0	0	112	N276 K350 F416 E517 T522 E523	N276-E519 PolarHBondContact ND2-OE1 2.82Å; K350-E519 IonicContact NZ-OE2 2.92Å; K350-E519 PolarHBondContact NZ-OE2 2.71Å; F416-E519 HydrophobicContact CD2-CB 3.91Å; F416-E519 HydrophobicContact CD2-CG 4.5Å; F416-E519 VanDerWaalsContact CD2-OE2 3.31Å; F416-E519 WeakPolarHBondContact CD2-OE2 3.47Å; F416-E519 HydrophobicContact CE2-CB 3.51Å; F416-E519 HydrophobicContact CZ-CB 4.36Å; E517-E519 PolarHBondContact O-N 3.45Å; E519-T522 PolarHBondContact O-N 2.8Å; E519-T522 PolarHBondContact O-OG1 2.58Å; E519-E523 WeakPolarHBondContact O-CB 3.47Å; E519-E523 PolarHBondContact O-N 2.82Å
520	M	62.3	Low	54.5	Low	26 Å²	26	64.9 Å²	64.9	13%	0.128	35%	0.347	C	S	.	.	H	α-helix	trans	-55.3	-49.3	172.4	-175.6	175.8	164.5	0	0	113.9	I301 S307 N518 T522 E523 I524	I301-M520 HydrophobicContact CB-CE 4.2Å; I301-M520 HydrophobicContact CG2-CE 3.41Å; I301-M520 VanDerWaalsContact CG2-CE 3.41Å; I301-M520 WeakPolarHBondContact O-CE 3.41Å; S307-M520 VanDerWaalsContact OG-CB 3.26Å; S307-M520 WeakPolarHBondContact OG-CB 3.25Å; S307-M520 VanDerWaalsContact OG-CG 3.23Å; S307-M520 WeakPolarHBondContact OG-CG 3.39Å; S307-M520 PolarHBondContact OG-SD 3.33Å; N518-M520 PolarHBondContact O-N 3.04Å; N518-M520 VanDerWaalsContact O-N 3.07Å; M520-T522 PolarHBondContact O-N 3.37Å; M520-E523 PolarHBondContact O-N 3.32Å; M520-I524 HydrophobicContact CE-CD1 3.57Å; M520-I524 HydrophobicContact CG-CD1 3.73Å; M520-I524 HydrophobicContact CG-CG1 4.4Å; M520-I524 WeakPolarHBondContact O-CB 3.44Å; M520-I524 VanDerWaalsContact O-CG1 3.23Å; M520-I524 WeakPolarHBondContact O-CG1 3.48Å; M520-I524 PolarHBondContact O-N 3.42Å
521	E	60.6	Low	55.7	Low	104 Å²	104	63.7 Å²	63.7	49%	0.486	35%	0.345	S	S	.	.	H	α-helix	trans	-64.1	-43.8	-179.6	-77	168.3	-165	0	0	110.9	N518 E523 I524 L525	N518-E521 HydrophobicContact CB-CB 4.13Å; N518-E521 HydrophobicContact CB-CG 3.95Å; N518-E521 VanDerWaalsContact ND2-CD 3.26Å; N518-E521 WeakPolarHBondContact ND2-CG 3.38Å; N518-E521 PolarHBondContact ND2-OE1 3.11Å; N518-E521 PolarHBondContact O-N 2.78Å; E521-E523 VanDerWaalsContact C-N 3.3Å; E521-E523 PolarHBondContact O-N 2.88Å; E521-I524 PolarHBondContact O-N 3.28Å; E521-L525 WeakPolarHBondContact O-CB 3.1Å; E521-L525 WeakPolarHBondContact O-CG 3.48Å; E521-L525 PolarHBondContact O-N 2.94Å
522	T	64.3	Low	56.8	Low	42 Å²	42	56.6 Å²	56.6	26%	0.258	32%	0.318	S	S	.	.	H	α-helix	trans	-66.3	-34.4	175.9	29.6	0	0	0	0	113.5	S516 N518 E519 M520 D526	S516-T522 PolarHBondContact N-OG1 2.84Å; N518-T522 PolarHBondContact O-N 3.35Å; N518-T522 PolarHBondContact O-OG1 3.19Å; E519-T522 PolarHBondContact O-N 2.8Å; E519-T522 PolarHBondContact O-OG1 2.58Å; M520-T522 PolarHBondContact O-N 3.37Å; T522-D526 PolarHBondContact O-N 3.38Å
523	E	75.3	Confident	58.1	Low	6 Å²	6	56.6 Å²	56.6	3%	0.028	32%	0.315	C	S	.	.	H	α-helix	trans	-69.8	-46.6	175.6	-173.6	174.1	-168.2	0	0	110.7	R275 Y299 W309 E519 M520 E521 L525 D526 Y527	R275-E523 VanDerWaalsContact CB-OE1 3.3Å; R275-E523 WeakPolarHBondContact CB-OE1 3.26Å; R275-E523 VanDerWaalsContact CD-OE1 3.25Å; R275-E523 WeakPolarHBondContact CD-OE1 3.49Å; Y299-E523 VanDerWaalsContact CE2-CD 3.41Å; Y299-E523 HydrophobicContact CE2-CG 4.17Å; Y299-E523 WeakPolarHBondContact CE2-OE1 3.45Å; Y299-E523 WeakPolarHBondContact CE2-OE2 3.39Å; Y299-E523 VanDerWaalsContact OH-CD 3.31Å; Y299-E523 PolarHBondContact OH-OE2 3.09Å; W309-E523 PolarHBondContact NE1-OE1 2.95Å; E519-E523 WeakPolarHBondContact O-CB 3.47Å; E519-E523 PolarHBondContact O-N 2.82Å; M520-E523 PolarHBondContact O-N 3.32Å; E521-E523 VanDerWaalsContact C-N 3.3Å; E521-E523 PolarHBondContact O-N 2.88Å; E523-L525 VanDerWaalsContact C-N 3.27Å; E523-L525 PolarHBondContact O-N 3.46Å; E523-D526 VanDerWaalsContact O-CB 3.28Å; E523-D526 WeakPolarHBondContact O-CB 3.37Å; E523-D526 PolarHBondContact O-N 3.12Å; E523-Y527 HydrophobicContact CG-CD2 4.33Å; E523-Y527 HydrophobicContact CG-CE2 3.73Å; E523-Y527 WeakPolarHBondContact O-CD2 3.26Å; E523-Y527 WeakPolarHBondContact O-CE2 3.25Å
524	I	76.1	Confident	59.4	Low	35 Å²	35	53.1 Å²	53.1	18%	0.179	29%	0.285	C	S	.	.	H	α-helix	trans	-58	-42.1	176.5	-70.9	170.5	0	0	0	110.7	F227 Y299 M520 E521 D526 Y527 V528	F227-I524 HydrophobicContact CE1-CG1 4.11Å; F227-I524 HydrophobicContact CE1-CG2 4.3Å; F227-I524 HydrophobicContact CZ-CG2 4.29Å; Y299-I524 HydrophobicContact CD1-CG1 4.45Å; Y299-I524 HydrophobicContact CE1-CD1 4.24Å; Y299-I524 HydrophobicContact CE1-CG1 3.77Å; M520-I524 HydrophobicContact CE-CD1 3.57Å; M520-I524 HydrophobicContact CG-CD1 3.73Å; M520-I524 HydrophobicContact CG-CG1 4.4Å; M520-I524 WeakPolarHBondContact O-CB 3.44Å; M520-I524 VanDerWaalsContact O-CG1 3.23Å; M520-I524 WeakPolarHBondContact O-CG1 3.48Å; M520-I524 PolarHBondContact O-N 3.42Å; E521-I524 PolarHBondContact O-N 3.28Å; I524-D526 PolarHBondContact O-N 3.19Å; I524-Y527 PolarHBondContact O-N 2.91Å; I524-V528 HydrophobicContact CG2-CB 4.4Å; I524-V528 HydrophobicContact CG2-CG2 3.46Å; I524-V528 VanDerWaalsContact CG2-CG2 3.46Å; I524-V528 WeakPolarHBondContact O-CB 3.47Å; I524-V528 WeakPolarHBondContact O-CG2 3.44Å; I524-V528 PolarHBondContact O-N 3.12Å
525	L	72.5	Confident	61.1	Low	122 Å²	122	46.6 Å²	46.6	64%	0.639	25%	0.251	S	S	*	.	H	α-helix	trans	-61.8	-21.6	175.4	-73.4	171.6	0	0	0	113.9	E521 E523 Y527	E521-L525 WeakPolarHBondContact O-CB 3.1Å; E521-L525 WeakPolarHBondContact O-CG 3.48Å; E521-L525 PolarHBondContact O-N 2.94Å; E523-L525 VanDerWaalsContact C-N 3.27Å; E523-L525 PolarHBondContact O-N 3.46Å; L525-Y527 PolarHBondContact O-N 3.37Å
526	D	71.8	Confident	62.7	Low	43 Å²	43	48.8 Å²	48.8	23%	0.23	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-14.8	171.9	-82.4	-24.6	0	0	0	112.5	H223 R275 K290 T522 E523 I524	H223-D526 PolarHBondContact CD2-O 2.89Å; R275-D526 IonicContact CZ-OD2 3.86Å; R275-D526 VanDerWaalsContact CZ-OD2 3.24Å; R275-D526 IonicContact NH1-OD2 3.33Å; R275-D526 PolarHBondContact NH1-OD2 3.43Å; R275-D526 IonicContact NH2-OD2 2.69Å; R275-D526 PolarHBondContact NH2-OD2 3.08Å; K290-D526 HydrophobicContact CD-CB 4.36Å; K290-D526 WeakPolarHBondContact CE-OD1 3.43Å; K290-D526 WeakPolarHBondContact CE-OD2 3.43Å; K290-D526 IonicContact NZ-OD1 2.71Å; K290-D526 PolarHBondContact NZ-OD1 3.1Å; K290-D526 IonicContact NZ-OD2 3.84Å; K290-D526 PolarHBondContact NZ-OD2 3.24Å; T522-D526 PolarHBondContact O-N 3.38Å; E523-D526 VanDerWaalsContact O-CB 3.28Å; E523-D526 WeakPolarHBondContact O-CB 3.37Å; E523-D526 PolarHBondContact O-N 3.12Å; I524-D526 PolarHBondContact O-N 3.19Å
527	Y	73.8	Confident	64.5	Low	6 Å²	6	51.3 Å²	51.3	2%	0.024	27%	0.265	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.9	-8.9	-174.2	-54.6	-83.6	0	0	0	115.4	H223 A225 K290 P294 W309 E523 I524 L525	H223-Y527 HydrophobicContact CB-CD1 3.76Å; H223-Y527 HydrophobicContact CB-CG 4.5Å; A225-Y527 HydrophobicContact CB-CD1 4.17Å; A225-Y527 HydrophobicContact CB-CG 4.11Å; K290-Y527 HydrophobicContact CB-CE1 4.24Å; K290-Y527 WeakPolarHBondContact O-CE1 3.4Å; P294-Y527 HydrophobicContact CG-CD1 3.74Å; P294-Y527 HydrophobicContact CG-CE1 3.82Å; W309-Y527 HydrophobicContact CH2-CD1 4.15Å; W309-Y527 HydrophobicContact CH2-CD2 4.41Å; W309-Y527 AromaticContact CH2-CE1 3.87Å; W309-Y527 HydrophobicContact CH2-CE1 3.87Å; W309-Y527 HydrophobicContact CH2-CE2 4.22Å; W309-Y527 HydrophobicContact CH2-CG 4.43Å; W309-Y527 AromaticContact CH2-CZ 3.94Å; W309-Y527 HydrophobicContact CZ2-CD1 4.37Å; W309-Y527 HydrophobicContact CZ2-CD2 4.02Å; W309-Y527 AromaticContact CZ2-CE1 3.83Å; W309-Y527 HydrophobicContact CZ2-CE1 3.83Å; W309-Y527 AromaticContact CZ2-CE2 3.5Å; W309-Y527 HydrophobicContact CZ2-CE2 3.5Å; W309-Y527 HydrophobicContact CZ2-CG 4.47Å; W309-Y527 AromaticContact CZ2-CZ 3.39Å; E523-Y527 HydrophobicContact CG-CD2 4.33Å; E523-Y527 HydrophobicContact CG-CE2 3.73Å; E523-Y527 WeakPolarHBondContact O-CD2 3.26Å; E523-Y527 WeakPolarHBondContact O-CE2 3.25Å; I524-Y527 PolarHBondContact O-N 2.91Å; L525-Y527 PolarHBondContact O-N 3.37Å
528	V	61.8	Low	66.6	Low	71 Å²	71	48.2 Å²	48.2	43%	0.43	25%	0.253	S	S	.	.			trans	-100.3	0	177.2	173.9	0	0	0	0	111.5	R220 F227 I524	R220-V528 WeakPolarHBondContact CD-O 3.49Å; R220-V528 PolarHBondContact NH1-O 3.19Å; F227-V528 HydrophobicContact CE2-CG2 3.63Å; F227-V528 HydrophobicContact CZ-CG2 3.63Å; I524-V528 HydrophobicContact CG2-CB 4.4Å; I524-V528 HydrophobicContact CG2-CG2 3.46Å; I524-V528 VanDerWaalsContact CG2-CG2 3.46Å; I524-V528 WeakPolarHBondContact O-CB 3.47Å; I524-V528 WeakPolarHBondContact O-CG2 3.44Å; I524-V528 PolarHBondContact O-N 3.12Å

Retrieved 528 of 528 residues in 1071.1 ms (Link to these results)

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