A0A087YMF8_POEFO Loading...

Glutamate receptor

Member of the ionotropic glutamate receptor family, which plays a crucial role in synaptic organization and signal transduction in the central nervous system. Although it shares structural features with ionotropic glutamate receptors, does not bind glutamate as a primary ligand. Promotes synaptogenesis and mediates the D-Serine-dependent long term depression signals and AMPA receptor endocytosis of cerebellar parallel fiber-Purkinje cell (PF-PC) synapses through the NRX1B-CBLN1-GRID2 triad complex. In the presence of neurexins and cerebellins, forms cation-selective channels that are proposed to be gated by glycine and D-serine. However, recent research disputes this ligand-gated cation channel activity. Cation-selective ion channel activity can be triggered by GRM1 in Purkinje cells. Receptor for glutamate that functions as a ligand-gated ion channel in the central nervous system and plays an important role in excitatory synaptic transmission. L-glutamate acts as an excitatory neurotransmitter at many synapses in the central nervous system.

AlphaFold DB , UniProt , Accession A0A087YMF8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 963 aa.

						>A0A087YMF8_POEFO|A0A087YMF8
MKVLLAVLLVAVFWSQEWKSALSDSIIHIGAIFDESSRKDDEVFRLAVADLNLNNEILETEKITFSVEFVDGNNPFQAVQEACELMNRGILALVSSIGCMSAGSLQTLADAMHIPHLYIQRSPVGTPRSTCPPTSRIPGADDYTLMVRPPVFLNEVIMQVVSEYSWQKFVLFYDSDFDIRGIEDFLDRTSQQGMDVSLQKVESNVNMMITGLFRTMRVEELHRYRDTLRRAVLFMSPATAKAFITEVVETNLVAFDCHWILINEEISDYDLQELVMKSIGRLTLVRQMFPMPQNTTQRCVKHNHRINTSLCDPKSPKAQQLEITNRYIYDTVLLLANTFHRKLEDRKWHSMASLSCIRKNSKPWQGGKSMLETVKKFGVSGLTSFLEFTDNGTNPNIFFEILGTNYGEDRGRGVSRLATWDPVHGLNGTLTDRKLENNMRGVVLRVVTVLEEPFVMVSENVLGKPKKYQGFSIDVLDALSNYLGFKYEIYVAPDHKYGSLQSDGQWNGLMGELVFKRADVGLSALTITPERESVVDFTTRYMDYSVGVLLRKAERTVDMFACLAPFDLSLWACIAGTVLLIGILVYLLNWLNPPRLPMGSVSSTTLYNSMWFVYGSFVQQGGEVPYTTLATRMMMGFWWMFALIVISSYTANLAAFLTISRIENSIQSLQDLSKQTELPYGTVLDSAVYDQVRSKAMNPFERDPMYSQMWRMINRTGGADNNVEESREGIRKVKYGRFGFVWDAAVLEYVANNDEDCSFYTVSSNAPDRGYGIAMQHGSPYRDIFSQRILELQQNGDMDILKLKWWPKDSPCDLYSSDQTRQRGNALDIHSFAGVFCVLAAGVVLSCLIAMVESWWSRRKGSRVPSKEAQADGPSAMQAADSCPHGPNEHPLSLGSQTQNQTSNTANTAGSTATHYQPPACCDIPCALIVQHSYEPTNPSEITPKMRMTTFTTSPPTPRLYIQ
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	55.5	Low	60.1	Low	217 Å²	217	116 Å²	116	100%	1.069	64%	0.638	S	S	*	*				0	-65.3	0	-152.6	165	-83.5	0	0	112.7	V3 L4	M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.39Å; M1-V3 VanDerWaalsContact O-N 3.16Å; M1-L4 WeakPolarHBondContact O-CB 3.35Å; M1-L4 PolarHBondContact O-N 3.15Å
2	K	55.9	Low	59.9	Low	196 Å²	196	112 Å²	112	85%	0.852	62%	0.619	S	S	*	*	H	α-helix	trans	-51.4	-39.8	-177.8	-72.3	-172.5	175.3	-176.8	0	115.6	L4 L5 A6	K2-L4 VanDerWaalsContact C-N 3.35Å; K2-L4 PolarHBondContact O-N 3.19Å; K2-L5 PolarHBondContact O-N 3.05Å; K2-A6 PolarHBondContact O-N 2.96Å
3	V	61.7	Low	59.3	Low	115 Å²	115	113.7 Å²	113.7	70%	0.697	62%	0.617	S	S	*	*	H	α-helix	trans	-63	-37.1	178.1	-178.2	0	0	0	0	112.7	M1 L5 A6 V7	M1-V3 VanDerWaalsContact C-N 3.32Å; M1-V3 PolarHBondContact O-N 3.39Å; M1-V3 VanDerWaalsContact O-N 3.16Å; V3-L5 VanDerWaalsContact C-N 3.31Å; V3-L5 PolarHBondContact O-N 2.98Å; V3-A6 PolarHBondContact O-N 3.47Å; V3-V7 PolarHBondContact O-N 3.01Å; V3-V7 VanDerWaalsContact O-N 3.16Å
4	L	58.6	Low	58.2	Low	129 Å²	129	120.2 Å²	120.2	68%	0.675	63%	0.628	S	S	*	*	H	α-helix	trans	-67.2	-35.1	-178.6	-148.7	81.8	0	0	0	111.7	M1 K2 L8	M1-L4 WeakPolarHBondContact O-CB 3.35Å; M1-L4 PolarHBondContact O-N 3.15Å; K2-L4 VanDerWaalsContact C-N 3.35Å; K2-L4 PolarHBondContact O-N 3.19Å; L4-L8 PolarHBondContact O-N 3.02Å; L4-L8 VanDerWaalsContact O-N 3.11Å
5	L	58.7	Low	57.2	Low	117 Å²	117	117.7 Å²	117.7	61%	0.613	62%	0.624	S	S	*	*	H	α-helix	trans	-67.5	-37.6	176.7	-154.9	79.9	0	0	0	111.7	K2 V3 L8 L9	K2-L5 PolarHBondContact O-N 3.05Å; V3-L5 VanDerWaalsContact C-N 3.31Å; V3-L5 PolarHBondContact O-N 2.98Å; L5-L8 PolarHBondContact O-N 3.2Å; L5-L9 WeakPolarHBondContact O-CG 3.31Å; L5-L9 PolarHBondContact O-N 2.96Å
6	A	62.4	Low	56.2	Low	54 Å²	54	118.8 Å²	118.8	45%	0.446	63%	0.625	S	S	.	*	H	α-helix	trans	-66.5	-43	176.4	0	0	0	0	0	112.1	K2 V3 L8 L9 V10	K2-A6 PolarHBondContact O-N 2.96Å; V3-A6 PolarHBondContact O-N 3.47Å; A6-L8 PolarHBondContact O-N 3.32Å; A6-L9 PolarHBondContact O-N 3.41Å; A6-V10 WeakPolarHBondContact O-CG2 3.42Å; A6-V10 PolarHBondContact O-N 3.32Å
7	V	65.5	Low	55.2	Low	95 Å²	95	120.4 Å²	120.4	58%	0.576	63%	0.629	S	S	*	*	H	α-helix	trans	-63.9	-40.3	176.5	175.9	0	0	0	0	111.4	V3 V10 A11	V3-V7 PolarHBondContact O-N 3.01Å; V3-V7 VanDerWaalsContact O-N 3.16Å; V7-V10 PolarHBondContact O-N 3.07Å; V7-A11 WeakPolarHBondContact O-CB 3.13Å; V7-A11 PolarHBondContact O-N 3.34Å
8	L	61.1	Low	54.2	Low	106 Å²	106	126.8 Å²	126.8	56%	0.555	64%	0.643	S	S	*	*	H	α-helix	trans	-64.8	-40.8	174.3	-86.6	161.6	0	0	0	112.8	L4 L5 A6 A11 V12	L4-L8 PolarHBondContact O-N 3.02Å; L4-L8 VanDerWaalsContact O-N 3.11Å; L5-L8 PolarHBondContact O-N 3.2Å; A6-L8 PolarHBondContact O-N 3.32Å; L8-A11 PolarHBondContact O-N 2.98Å; L8-V12 WeakPolarHBondContact O-CG2 3.34Å; L8-V12 PolarHBondContact O-N 3.31Å
9	L	61.5	Low	53	Low	104 Å²	104	130.1 Å²	130.1	55%	0.545	65%	0.652	S	S	.	*	H	α-helix	trans	-66.3	-39.8	176.5	-77	165.6	0	0	0	112.6	L5 A6 V12 F13	L5-L9 WeakPolarHBondContact O-CG 3.31Å; L5-L9 PolarHBondContact O-N 2.96Å; A6-L9 PolarHBondContact O-N 3.41Å; L9-V12 PolarHBondContact O-N 3.36Å; L9-F13 PolarHBondContact O-N 3.44Å
10	V	62.5	Low	51.8	Low	87 Å²	87	128.2 Å²	128.2	53%	0.527	65%	0.652	S	S	.	*	H	α-helix	trans	-66.7	-40.8	174.5	172.4	0	0	0	0	111.2	A6 V7 V12 F13 W14	A6-V10 WeakPolarHBondContact O-CG2 3.42Å; A6-V10 PolarHBondContact O-N 3.32Å; V7-V10 PolarHBondContact O-N 3.07Å; V10-V12 PolarHBondContact O-N 2.96Å; V10-F13 PolarHBondContact O-N 2.81Å; V10-W14 PolarHBondContact O-N 3.41Å
11	A	57.7	Low	51	Low	56 Å²	56	126.6 Å²	126.6	46%	0.463	66%	0.659	S	S	.	*	H	α-helix	trans	-63.6	-39	175	0	0	0	0	0	112.4	V7 L8 S15	V7-A11 WeakPolarHBondContact O-CB 3.13Å; V7-A11 PolarHBondContact O-N 3.34Å; L8-A11 PolarHBondContact O-N 2.98Å; A11-S15 WeakPolarHBondContact O-CB 3.37Å; A11-S15 PolarHBondContact O-N 3.31Å; A11-S15 PolarHBondContact O-OG 2.94Å
12	V	57.4	Low	50.1	Low	68 Å²	68	123.4 Å²	123.4	41%	0.412	65%	0.645	S	S	.	*	H	α-helix	trans	-64.8	-45.7	173.9	169.5	0	0	0	0	111	L8 L9 V10 S15 Q16	L8-V12 WeakPolarHBondContact O-CG2 3.34Å; L8-V12 PolarHBondContact O-N 3.31Å; L9-V12 PolarHBondContact O-N 3.36Å; V10-V12 PolarHBondContact O-N 2.96Å; V12-S15 WeakPolarHBondContact CA-OG 3.38Å; V12-S15 PolarHBondContact O-N 2.82Å; V12-S15 VanDerWaalsContact O-N 3.15Å; V12-S15 PolarHBondContact O-OG 3.1Å; V12-Q16 PolarHBondContact O-N 3.24Å; V12-Q16 VanDerWaalsContact O-N 3.08Å
13	F	51.9	Low	49.1	Very low	134 Å²	134	119.6 Å²	119.6	59%	0.588	64%	0.643	S	S	*	*	H	α-helix	trans	-59.1	-49.3	175.6	-104.2	-94.5	0	0	0	112.5	L9 V10 S15 Q16 E17	L9-F13 PolarHBondContact O-N 3.44Å; V10-F13 PolarHBondContact O-N 2.81Å; F13-S15 PolarHBondContact O-N 2.86Å; F13-Q16 PolarHBondContact O-N 3.05Å; F13-E17 PolarHBondContact O-N 3.05Å; F13-E17 VanDerWaalsContact O-N 3.09Å
14	W	44.2	Very low	48.3	Very low	205 Å²	205	120.9 Å²	120.9	78%	0.777	65%	0.646	S	S	*	*	H	α-helix	trans	-64	-25.3	176.2	-84.4	25.4	0	0	0	113.3	V10	V10-W14 PolarHBondContact O-N 3.41Å
15	S	43.6	Very low	48	Very low	82 Å²	82	116 Å²	116	57%	0.573	62%	0.623	S	S	*	*	H	α-helix	trans	-78.7	-17.3	171.4	75.8	0	0	0	0	114.3	A11 V12 F13	A11-S15 WeakPolarHBondContact O-CB 3.37Å; A11-S15 PolarHBondContact O-N 3.31Å; A11-S15 PolarHBondContact O-OG 2.94Å; V12-S15 WeakPolarHBondContact CA-OG 3.38Å; V12-S15 PolarHBondContact O-N 2.82Å; V12-S15 VanDerWaalsContact O-N 3.15Å; V12-S15 PolarHBondContact O-OG 3.1Å; F13-S15 PolarHBondContact O-N 2.86Å
16	Q	40.8	Very low	48.5	Very low	135 Å²	135	113.7 Å²	113.7	63%	0.631	61%	0.61	S	S	*	*	H	α-helix	trans	-98.7	-20.9	-179.6	-73.5	-172.3	-29.6	0	0	113.8	V12 F13 W18	V12-Q16 PolarHBondContact O-N 3.24Å; V12-Q16 VanDerWaalsContact O-N 3.08Å; F13-Q16 PolarHBondContact O-N 3.05Å; Q16-W18 PolarHBondContact O-N 2.93Å
17	E	39.8	Very low	49.6	Very low	147 Å²	147	111.1 Å²	111.1	69%	0.687	59%	0.589	S	S	*	*	S	Bend	trans	-83.7	8.2	170.7	-67	-167.5	135	0	0	114	F13	F13-E17 PolarHBondContact O-N 3.05Å; F13-E17 VanDerWaalsContact O-N 3.09Å
18	W	37	Very low	50.8	Low	235 Å²	235	107.9 Å²	107.9	89%	0.89	57%	0.568	S	S	*	*			trans	-102.3	50.9	156.7	-94.2	-1.3	0	0	0	112.5	Q16 S20	Q16-W18 PolarHBondContact O-N 2.93Å; W18-S20 PolarHBondContact O-N 3.44Å
19	K	31	Very low	52.4	Low	189 Å²	189	102.8 Å²	102.8	82%	0.822	54%	0.541	S	S	*	.			trans	-59.7	113	130.8	-83.3	-172.7	176.1	-179.4	0	106.6	A21	K19-A21 PolarHBondContact O-N 3.48Å
20	S	29.8	Very low	54	Low	92 Å²	92	97.9 Å²	97.9	64%	0.643	52%	0.515	S	S	*	.	P	Polyproline II helix	trans	-48.4	125.9	167.8	51.2	0	0	0	0	108.9	W18 L22	W18-S20 PolarHBondContact O-N 3.44Å; S20-L22 PolarHBondContact O-N 3.33Å
21	A	33.8	Very low	55.6	Low	96 Å²	96	93.7 Å²	93.7	79%	0.793	49%	0.49	S	S	*	.	P	Polyproline II helix	trans	-50	126.8	156.3	0	0	0	0	0	106.4	K19 S23	K19-A21 PolarHBondContact O-N 3.48Å; A21-S23 PolarHBondContact O-N 2.96Å; A21-S23 VanDerWaalsContact O-N 3.08Å
22	L	37.4	Very low	57.3	Low	150 Å²	150	91 Å²	91	79%	0.785	47%	0.468	S	S	*	.	P	Polyproline II helix	trans	-60.4	122.6	176	-84.7	82.6	0	0	0	106.4	S20 D24	S20-L22 PolarHBondContact O-N 3.33Å; L22-D24 PolarHBondContact O-N 3.5Å
23	S	34.1	Very low	59.1	Low	116 Å²	116	87.8 Å²	87.8	81%	0.811	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-51.7	122.9	164.5	-178.6	0	0	0	0	107	A21 S25	A21-S23 PolarHBondContact O-N 2.96Å; A21-S23 VanDerWaalsContact O-N 3.08Å; S23-S25 PolarHBondContact O-N 3.23Å
24	D	44.6	Very low	60.9	Low	141 Å²	141	82.8 Å²	82.8	75%	0.754	43%	0.428	S	S	*	.			trans	-54.4	108.7	-177.8	-70.3	-51.7	0	0	0	109.4	L22 I26	L22-D24 PolarHBondContact O-N 3.5Å; D24-I26 PolarHBondContact O-N 3.03Å
25	S	53.8	Low	62.9	Low	27 Å²	27	78.7 Å²	78.7	19%	0.189	42%	0.417	C	S	.	.			trans	-63.2	127	169.3	56.7	0	0	0	0	107.3	S23 I27 T64 M351	S23-S25 PolarHBondContact O-N 3.23Å; S25-I27 PolarHBondContact O-N 3.03Å; S25-T64 VanDerWaalsContact OG-CG2 3.23Å; S25-T64 WeakPolarHBondContact OG-CG2 3.05Å; S25-T64 PolarHBondContact OG-OG1 2.81Å; S25-M351 VanDerWaalsContact O-CE 3.24Å; S25-M351 WeakPolarHBondContact O-CE 3.29Å
26	I	68.4	Low	64.7	Low	68 Å²	68	78.9 Å²	78.9	35%	0.349	42%	0.419	S	S	.	.	S	Bend	trans	-66.6	-15.9	-171.5	-60.8	-177.8	0	0	0	111.6	D24 E61 W348	D24-I26 PolarHBondContact O-N 3.03Å; I26-E61 HydrophobicContact CB-CG 4.3Å; I26-E61 WeakPolarHBondContact CB-OE2 3.36Å; I26-E61 WeakPolarHBondContact CD1-OE1 3.25Å; I26-E61 WeakPolarHBondContact CG1-OE2 3.44Å; I26-E61 PolarHBondContact N-OE2 3.03Å; I26-W348 HydrophobicContact CG2-CZ2 3.66Å
27	I	86.8	Confident	66.6	Low	0 Å²	0	72.5 Å²	72.5	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	103.7	-175.5	-46.6	174.6	0	0	0	111.6	S25 L58 E61 I63 T64 L91 F339 L343 W348	S25-I27 PolarHBondContact O-N 3.03Å; I27-L58 HydrophobicContact CD1-CD1 4.5Å; I27-L58 HydrophobicContact CD1-CD2 4.09Å; I27-E61 HydrophobicContact CD1-CB 3.86Å; I27-E61 HydrophobicContact CG1-CB 4.35Å; I27-I63 HydrophobicContact CG2-CG1 4.11Å; I27-T64 PolarHBondContact O-N 3.29Å; I27-T64 PolarHBondContact O-OG1 3.2Å; I27-L91 HydrophobicContact CB-CD1 4.41Å; I27-L91 HydrophobicContact CG2-CD1 4.07Å; I27-F339 HydrophobicContact CD1-CB 3.98Å; I27-F339 HydrophobicContact CD1-CD2 4.41Å; I27-F339 HydrophobicContact CD1-CG 4.38Å; I27-F339 HydrophobicContact CG2-CD1 4.48Å; I27-F339 HydrophobicContact CG2-CD2 3.41Å; I27-F339 VanDerWaalsContact CG2-CD2 3.41Å; I27-F339 HydrophobicContact CG2-CE2 3.45Å; I27-F339 VanDerWaalsContact CG2-CE2 3.45Å; I27-F339 HydrophobicContact CG2-CG 3.97Å; I27-F339 HydrophobicContact CG2-CZ 4.03Å; I27-L343 HydrophobicContact CD1-CD1 4.46Å; I27-W348 HydrophobicContact CG1-CH2 3.95Å; I27-W348 HydrophobicContact CG1-CZ2 4.38Å
28	H	90.7	Very high	68.6	Low	27 Å²	27	75.3 Å²	75.3	13%	0.125	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	134	168.5	-160.6	67.8	0	0	0	111.6	T64 S66 L91 M351	H28-T64 WeakPolarHBondContact CA-O 3.49Å; H28-T64 PolarHBondContact ND1-OG1 3.08Å; H28-S66 PolarHBondContact CE1-OG 2.97Å; H28-S66 PolarHBondContact NE2-OG 3.26Å; H28-L91 PolarHBondContact O-N 3.04Å; H28-M351 HydrophobicContact CB-SD 3.49Å; H28-M351 WeakPolarHBondContact CB-SD 3.45Å
29	I	93.9	Very high	70.9	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	144.6	176.5	61.7	174.8	0	0	0	112.2	F44 V48 I63 T64 F65 S66 F339	I29-F44 HydrophobicContact CD1-CE2 4.03Å; I29-F44 HydrophobicContact CD1-CZ 3.68Å; I29-F44 HydrophobicContact CG1-CZ 4.16Å; I29-V48 HydrophobicContact CD1-CG2 4.39Å; I29-I63 HydrophobicContact CD1-CG2 3.71Å; I29-I63 HydrophobicContact CG1-CG2 3.89Å; I29-T64 PolarHBondContact N-O 3.21Å; I29-F65 HydrophobicContact CD1-CB 4.45Å; I29-F65 HydrophobicContact CG1-CB 3.71Å; I29-F65 WeakPolarHBondContact O-CA 3.47Å; I29-S66 PolarHBondContact O-N 3.25Å; I29-F339 HydrophobicContact CG2-CE2 3.8Å; I29-F339 HydrophobicContact CG2-CZ 3.79Å
30	G	94.8	Very high	73.6	Confident	0 Å²	0	59.5 Å²	59.5	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	145.2	175.5	0	0	0	0	0	111.2	I90 A92 L93 V94	G30-I90 VanDerWaalsContact N-CG2 3.28Å; G30-A92 PolarHBondContact N-O 3.45Å; G30-L93 CarbonylContact O-C 3.53Å; G30-L93 WeakPolarHBondContact O-CA 3.39Å; G30-V94 PolarHBondContact O-N 3.16Å
31	A	95.7	Very high	76.6	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	138.9	172.4	0	0	0	0	0	111.3	F33 F44 S66 V67 E68 V94	A31-F33 HydrophobicContact CB-CE1 4.2Å; A31-F33 HydrophobicContact CB-CE2 4Å; A31-F33 HydrophobicContact CB-CZ 3.73Å; A31-F44 HydrophobicContact CB-CD1 4.39Å; A31-F44 HydrophobicContact CB-CE1 3.84Å; A31-F44 HydrophobicContact CB-CE2 4.19Å; A31-F44 HydrophobicContact CB-CZ 3.72Å; A31-S66 PolarHBondContact N-O 3.04Å; A31-V67 HydrophobicContact CB-CG2 4.04Å; A31-V67 WeakPolarHBondContact O-CA 3.45Å; A31-E68 PolarHBondContact O-N 2.67Å; A31-V94 CarbonylContact C-O 3.57Å; A31-V94 VanDerWaalsContact CA-O 3.28Å; A31-V94 WeakPolarHBondContact CA-O 3.17Å
32	I	94.8	Very high	79.3	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	120.7	173.8	-64.9	174.6	0	0	0	108.8	E68 V70 A82 L85 L93 V94 S95 S96 I97 L105	I32-E68 WeakPolarHBondContact CA-O 3.34Å; I32-V70 HydrophobicContact CG2-CG1 4.08Å; I32-V70 HydrophobicContact CG2-CG2 3.6Å; I32-A82 HydrophobicContact CD1-CB 3.56Å; I32-L85 HydrophobicContact CD1-CD1 4.09Å; I32-L85 HydrophobicContact CG1-CD1 3.68Å; I32-L93 HydrophobicContact CD1-CD1 4.04Å; I32-L93 HydrophobicContact CG1-CD1 4.11Å; I32-V94 PolarHBondContact N-O 3.34Å; I32-S95 VanDerWaalsContact O-CA 3.29Å; I32-S95 WeakPolarHBondContact O-CA 3.41Å; I32-S96 PolarHBondContact O-N 2.93Å; I32-I97 HydrophobicContact CG2-CG2 4.19Å; I32-L105 HydrophobicContact CD1-CD1 4.07Å; I32-L105 HydrophobicContact CD1-CD2 4.18Å
33	F	93.8	Very high	81.8	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	148.6	-178.3	-60.5	-38.5	0	0	0	111.2	A31 D40 D41 F44 V67 E68 F69 V70 I328	A31-F33 HydrophobicContact CB-CE1 4.2Å; A31-F33 HydrophobicContact CB-CE2 4Å; A31-F33 HydrophobicContact CB-CZ 3.73Å; F33-D40 HydrophobicContact CD1-CB 4.26Å; F33-D40 HydrophobicContact CE1-CB 4.5Å; F33-D40 HydrophobicContact CG-CB 4.29Å; F33-D41 HydrophobicContact CD2-CB 4.05Å; F33-D41 HydrophobicContact CE2-CB 4.23Å; F33-F44 HydrophobicContact CE2-CB 3.91Å; F33-F44 HydrophobicContact CE2-CD1 4.13Å; F33-F44 HydrophobicContact CE2-CG 4.03Å; F33-F44 HydrophobicContact CZ-CB 3.72Å; F33-F44 HydrophobicContact CZ-CD1 4.16Å; F33-F44 AromaticContact CZ-CD2 3.98Å; F33-F44 HydrophobicContact CZ-CD2 3.98Å; F33-F44 AromaticContact CZ-CG 3.71Å; F33-F44 HydrophobicContact CZ-CG 3.71Å; F33-V67 HydrophobicContact CD2-CG1 3.49Å; F33-V67 VanDerWaalsContact CD2-CG1 3.49Å; F33-V67 HydrophobicContact CE2-CG1 3.8Å; F33-V67 HydrophobicContact CE2-CG2 4.21Å; F33-V67 HydrophobicContact CG-CG1 4.47Å; F33-E68 PolarHBondContact N-O 3.45Å; F33-E68 VanDerWaalsContact N-O 3.1Å; F33-F69 HydrophobicContact CB-CD1 3.99Å; F33-F69 HydrophobicContact CB-CE1 3.96Å; F33-F69 HydrophobicContact CD2-CE1 4.45Å; F33-F69 VanDerWaalsContact O-CA 3.31Å; F33-F69 WeakPolarHBondContact O-CA 3.33Å; F33-V70 PolarHBondContact O-N 2.92Å; F33-I328 HydrophobicContact CE1-CD1 4.48Å
34	D	89.8	Confident	84.6	Confident	29 Å²	29	44.2 Å²	44.2	16%	0.155	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.9	140.3	172.7	-172.2	-75.5	0	0	0	110.6	S36 S37 V70 G72 S96	D34-S36 PolarHBondContact O-N 2.93Å; D34-S36 VanDerWaalsContact O-N 3.1Å; D34-S36 WeakPolarHBondContact OD1-CB 3.4Å; D34-S36 PolarHBondContact OD1-N 2.86Å; D34-S36 PolarHBondContact OD1-OG 3.3Å; D34-S37 PolarHBondContact N-OG 3.47Å; D34-S37 VanDerWaalsContact N-OG 3.16Å; D34-S37 WeakPolarHBondContact O-CB 3.35Å; D34-S37 PolarHBondContact O-N 3.37Å; D34-S37 PolarHBondContact O-OG 3.19Å; D34-V70 CarbonylContact C-O 3.59Å; D34-V70 VanDerWaalsContact CA-O 3.31Å; D34-V70 WeakPolarHBondContact CA-O 3.44Å; D34-G72 VanDerWaalsContact OD2-CA 3.25Å; D34-G72 WeakPolarHBondContact OD2-CA 3.5Å; D34-G72 PolarHBondContact OD2-N 3.34Å; D34-G72 VanDerWaalsContact OD2-N 3.16Å; D34-S96 PolarHBondContact N-O 2.81Å; D34-S96 VanDerWaalsContact N-O 3.11Å
35	E	86.6	Confident	86.9	Confident	118 Å²	118	42.7 Å²	42.7	55%	0.551	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-28.1	178.7	-77.2	-173.6	-158.7	0	0	113.8	S37 F69 V70	E35-S37 VanDerWaalsContact C-N 3.28Å; E35-S37 PolarHBondContact O-N 3.34Å; E35-F69 HydrophobicContact CG-CB 4.14Å; E35-V70 PolarHBondContact N-O 2.93Å
36	S	81.2	Confident	88.6	Confident	87 Å²	87	43.3 Å²	43.3	61%	0.608	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	-71.7	-19.1	174.3	69.8	0	0	0	0	113.8	D34 R38	D34-S36 PolarHBondContact O-N 2.93Å; D34-S36 VanDerWaalsContact O-N 3.1Å; D34-S36 WeakPolarHBondContact OD1-CB 3.4Å; D34-S36 PolarHBondContact OD1-N 2.86Å; D34-S36 PolarHBondContact OD1-OG 3.3Å; S36-R38 PolarHBondContact O-N 3.03Å
37	S	81.3	Confident	89.6	Confident	1 Å²	1	40 Å²	40	1%	0.007	19%	0.185	C	C	.	.			trans	-97.6	40.6	-161.7	73.7	0	0	0	0	114.7	D34 E35 K39 D40 R121	D34-S37 PolarHBondContact N-OG 3.47Å; D34-S37 VanDerWaalsContact N-OG 3.16Å; D34-S37 WeakPolarHBondContact O-CB 3.35Å; D34-S37 PolarHBondContact O-N 3.37Å; D34-S37 PolarHBondContact O-OG 3.19Å; E35-S37 VanDerWaalsContact C-N 3.28Å; E35-S37 PolarHBondContact O-N 3.34Å; S37-K39 PolarHBondContact O-N 3.32Å; S37-D40 WeakPolarHBondContact O-CB 3.31Å; S37-D40 PolarHBondContact O-N 3.32Å; S37-R121 VanDerWaalsContact CB-CZ 3.49Å
38	R	81.4	Confident	89.8	Confident	205 Å²	205	40.1 Å²	40.1	77%	0.774	19%	0.186	S	C	*	.	H	α-helix	trans	-55.7	-22	-177.2	-65.2	-172.5	-179.9	-160.4	-1	115.6	S36 E42	S36-R38 PolarHBondContact O-N 3.03Å; R38-E42 PolarHBondContact O-N 3.42Å
39	K	84.4	Confident	89.7	Confident	92 Å²	92	41 Å²	41	40%	0.4	20%	0.197	S	C	.	.	H	α-helix	trans	-70.3	-32.5	173.6	-63.5	-177.8	-174.1	174.3	0	112.6	S37 D41 E42 V43 E322	S37-K39 PolarHBondContact O-N 3.32Å; K39-D41 VanDerWaalsContact C-N 3.28Å; K39-D41 PolarHBondContact O-N 3.5Å; K39-E42 PolarHBondContact O-N 3.48Å; K39-V43 WeakPolarHBondContact O-CG2 3.42Å; K39-V43 PolarHBondContact O-N 2.97Å; K39-E322 VanDerWaalsContact CD-OE1 3.31Å; K39-E322 WeakPolarHBondContact CD-OE1 3.47Å; K39-E322 WeakPolarHBondContact CE-OE1 3.36Å; K39-E322 IonicContact NZ-OE1 3.68Å; K39-E322 PolarHBondContact NZ-OE1 3.37Å
40	D	88.9	Confident	89.4	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-62.4	-41	-179.6	-63.3	34.3	0	0	0	109.2	F33 S37 F44 S96 R121 N325 I328	F33-D40 HydrophobicContact CD1-CB 4.26Å; F33-D40 HydrophobicContact CE1-CB 4.5Å; F33-D40 HydrophobicContact CG-CB 4.29Å; S37-D40 WeakPolarHBondContact O-CB 3.31Å; S37-D40 PolarHBondContact O-N 3.32Å; D40-F44 WeakPolarHBondContact O-CB 3.43Å; D40-F44 PolarHBondContact O-N 3.42Å; D40-S96 VanDerWaalsContact OD2-CB 3.28Å; D40-S96 WeakPolarHBondContact OD2-CB 3.47Å; D40-S96 PolarHBondContact OD2-OG 3.29Å; D40-R121 IonicContact OD1-CZ 2.8Å; D40-R121 IonicContact OD1-NH1 2.76Å; D40-R121 PolarHBondContact OD1-NH1 2.8Å; D40-R121 IonicContact OD2-CZ 3.23Å; D40-R121 IonicContact OD2-NH1 3.26Å; D40-R121 PolarHBondContact OD2-NH1 3.17Å; D40-N325 PolarHBondContact OD1-OD1 3.1Å; D40-I328 HydrophobicContact CB-CD1 3.36Å; D40-I328 WeakPolarHBondContact OD2-CD1 3.49Å
41	D	91.6	Very high	88.9	Confident	26 Å²	26	42.2 Å²	42.2	14%	0.139	20%	0.204	C	C	.	.	H	α-helix	trans	-66.8	-45	172.4	-179.1	73.4	0	0	0	113.5	F33 K39 V43 F44 R45 F69	F33-D41 HydrophobicContact CD2-CB 4.05Å; F33-D41 HydrophobicContact CE2-CB 4.23Å; K39-D41 VanDerWaalsContact C-N 3.28Å; K39-D41 PolarHBondContact O-N 3.5Å; D41-V43 VanDerWaalsContact C-N 3.29Å; D41-V43 PolarHBondContact O-N 3.38Å; D41-F44 PolarHBondContact O-N 3.46Å; D41-R45 WeakPolarHBondContact O-CB 3.38Å; D41-R45 VanDerWaalsContact O-CG 3.28Å; D41-R45 WeakPolarHBondContact O-CG 3.37Å; D41-R45 PolarHBondContact O-N 3.28Å; D41-R45 IonicContact OD1-CZ 3.94Å; D41-R45 IonicContact OD1-NE 2.72Å; D41-R45 PolarHBondContact OD1-NE 3.44Å; D41-R45 IonicContact OD1-NH2 3.16Å; D41-R45 PolarHBondContact OD1-NH2 2.98Å; D41-R45 IonicContact OD2-CZ 3.2Å; D41-R45 IonicContact OD2-NE 2.73Å; D41-R45 PolarHBondContact OD2-NE 3.04Å; D41-R45 IonicContact OD2-NH2 2.66Å; D41-F69 HydrophobicContact CB-CE1 4.29Å; D41-F69 HydrophobicContact CB-CZ 3.77Å
42	E	90.4	Very high	88.4	Confident	100 Å²	100	44 Å²	44	47%	0.467	21%	0.214	S	C	.	.	H	α-helix	trans	-57	-45.9	175.9	-172.8	-172	156.1	0	0	110.7	R38 K39 L46 K317	R38-E42 PolarHBondContact O-N 3.42Å; K39-E42 PolarHBondContact O-N 3.48Å; E42-L46 VanDerWaalsContact O-CB 3.23Å; E42-L46 WeakPolarHBondContact O-CB 3.48Å; E42-L46 PolarHBondContact O-N 3.4Å; E42-K317 IonicContact OE1-NZ 3.08Å; E42-K317 PolarHBondContact OE1-NZ 3.41Å
43	V	90.8	Very high	87.8	Confident	8 Å²	8	50.6 Å²	50.6	5%	0.048	25%	0.248	C	C	.	.	H	α-helix	trans	-74.8	-35.3	-177.4	176.9	0	0	0	0	112	K39 D41 L46 A47 L321 N325 Y329	K39-V43 WeakPolarHBondContact O-CG2 3.42Å; K39-V43 PolarHBondContact O-N 2.97Å; D41-V43 VanDerWaalsContact C-N 3.29Å; D41-V43 PolarHBondContact O-N 3.38Å; V43-L46 PolarHBondContact O-N 2.96Å; V43-A47 WeakPolarHBondContact O-CB 3.25Å; V43-A47 PolarHBondContact O-N 3.3Å; V43-L321 HydrophobicContact CG2-CD2 3.89Å; V43-N325 HydrophobicContact CB-CB 4.41Å; V43-N325 HydrophobicContact CG1-CB 4.28Å; V43-N325 WeakPolarHBondContact CG1-O 3.46Å; V43-N325 HydrophobicContact CG2-CB 4.13Å; V43-Y329 HydrophobicContact CG1-CD2 4.45Å
44	F	93.4	Very high	86.9	Confident	0 Å²	0	52 Å²	52	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-62.8	-48.9	172.6	-179.6	-104.7	0	0	0	111.8	I29 A31 F33 D40 D41 L46 A47 V48 F65 V67 V94 I328 V332	I29-F44 HydrophobicContact CD1-CE2 4.03Å; I29-F44 HydrophobicContact CD1-CZ 3.68Å; I29-F44 HydrophobicContact CG1-CZ 4.16Å; A31-F44 HydrophobicContact CB-CD1 4.39Å; A31-F44 HydrophobicContact CB-CE1 3.84Å; A31-F44 HydrophobicContact CB-CE2 4.19Å; A31-F44 HydrophobicContact CB-CZ 3.72Å; F33-F44 HydrophobicContact CE2-CB 3.91Å; F33-F44 HydrophobicContact CE2-CD1 4.13Å; F33-F44 HydrophobicContact CE2-CG 4.03Å; F33-F44 HydrophobicContact CZ-CB 3.72Å; F33-F44 HydrophobicContact CZ-CD1 4.16Å; F33-F44 AromaticContact CZ-CD2 3.98Å; F33-F44 HydrophobicContact CZ-CD2 3.98Å; F33-F44 AromaticContact CZ-CG 3.71Å; F33-F44 HydrophobicContact CZ-CG 3.71Å; D40-F44 WeakPolarHBondContact O-CB 3.43Å; D40-F44 PolarHBondContact O-N 3.42Å; D41-F44 PolarHBondContact O-N 3.46Å; F44-L46 VanDerWaalsContact C-N 3.32Å; F44-L46 PolarHBondContact O-N 2.91Å; F44-A47 PolarHBondContact O-N 3.13Å; F44-V48 HydrophobicContact CZ-CG2 4.43Å; F44-V48 WeakPolarHBondContact O-CG2 3.31Å; F44-V48 PolarHBondContact O-N 2.7Å; F44-F65 HydrophobicContact CD1-CD2 4.32Å; F44-F65 HydrophobicContact CE1-CB 4Å; F44-F65 AromaticContact CE1-CD2 3.69Å; F44-F65 HydrophobicContact CE1-CD2 3.69Å; F44-F65 HydrophobicContact CE1-CE2 4.31Å; F44-F65 AromaticContact CE1-CG 3.9Å; F44-F65 HydrophobicContact CE1-CG 3.9Å; F44-F65 HydrophobicContact CZ-CB 4.26Å; F44-V67 HydrophobicContact CD1-CG2 3.84Å; F44-V67 HydrophobicContact CE1-CG2 3.78Å; F44-V94 HydrophobicContact CE2-CG2 4.42Å; F44-I328 HydrophobicContact CB-CG2 3.81Å; F44-I328 HydrophobicContact CD2-CG2 4.13Å; F44-I328 HydrophobicContact CG-CG2 4.49Å; F44-V332 HydrophobicContact CD2-CG2 3.54Å; F44-V332 HydrophobicContact CE2-CG2 3.66Å
45	R	92.9	Very high	85.9	Confident	109 Å²	109	56.1 Å²	56.1	41%	0.411	28%	0.277	S	S	.	.	H	α-helix	trans	-61.5	-40.6	176	-68.5	-177.3	-164.9	-82.8	-20.1	111.7	D41 A49 F65	D41-R45 WeakPolarHBondContact O-CB 3.38Å; D41-R45 VanDerWaalsContact O-CG 3.28Å; D41-R45 WeakPolarHBondContact O-CG 3.37Å; D41-R45 PolarHBondContact O-N 3.28Å; D41-R45 IonicContact OD1-CZ 3.94Å; D41-R45 IonicContact OD1-NE 2.72Å; D41-R45 PolarHBondContact OD1-NE 3.44Å; D41-R45 IonicContact OD1-NH2 3.16Å; D41-R45 PolarHBondContact OD1-NH2 2.98Å; D41-R45 IonicContact OD2-CZ 3.2Å; D41-R45 IonicContact OD2-NE 2.73Å; D41-R45 PolarHBondContact OD2-NE 3.04Å; D41-R45 IonicContact OD2-NH2 2.66Å; R45-A49 VanDerWaalsContact O-CB 3.3Å; R45-A49 WeakPolarHBondContact O-CB 3.44Å; R45-A49 PolarHBondContact O-N 3.05Å; R45-F65 HydrophobicContact CB-CZ 4.47Å; R45-F65 HydrophobicContact CG-CE2 3.91Å; R45-F65 HydrophobicContact CG-CZ 3.85Å
46	L	89.8	Confident	85	Confident	39 Å²	39	56.1 Å²	56.1	20%	0.204	28%	0.277	C	S	.	.	H	α-helix	trans	-65.6	-42.6	176.8	-178.2	56.7	0	0	0	111.9	E42 V43 F44 A49 D50 L310	E42-L46 VanDerWaalsContact O-CB 3.23Å; E42-L46 WeakPolarHBondContact O-CB 3.48Å; E42-L46 PolarHBondContact O-N 3.4Å; V43-L46 PolarHBondContact O-N 2.96Å; F44-L46 VanDerWaalsContact C-N 3.32Å; F44-L46 PolarHBondContact O-N 2.91Å; L46-A49 PolarHBondContact O-N 3.42Å; L46-D50 WeakPolarHBondContact O-CB 3.5Å; L46-D50 PolarHBondContact O-N 2.86Å; L46-L310 HydrophobicContact CD2-CD1 3.87Å; L46-L310 HydrophobicContact CD2-CD2 4.03Å; L46-L310 HydrophobicContact CD2-CG 4.27Å; L46-L310 HydrophobicContact CG-CD1 4.36Å
47	A	89.6	Confident	84.5	Confident	0 Å²	0	53 Å²	53	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61.7	-47	176	0	0	0	0	0	111.7	V43 F44 A49 D50 L51 Y329 V332	V43-A47 WeakPolarHBondContact O-CB 3.25Å; V43-A47 PolarHBondContact O-N 3.3Å; F44-A47 PolarHBondContact O-N 3.13Å; A47-A49 VanDerWaalsContact C-N 3.3Å; A47-A49 PolarHBondContact O-N 2.69Å; A47-D50 PolarHBondContact O-N 3.45Å; A47-L51 WeakPolarHBondContact O-CB 3.28Å; A47-L51 WeakPolarHBondContact O-CD1 3.38Å; A47-L51 VanDerWaalsContact O-CG 3.25Å; A47-L51 WeakPolarHBondContact O-CG 3.5Å; A47-L51 PolarHBondContact O-N 3.09Å; A47-Y329 HydrophobicContact CB-CD2 3.5Å; A47-Y329 VanDerWaalsContact CB-CD2 3.5Å; A47-Y329 HydrophobicContact CB-CE2 3.85Å; A47-Y329 HydrophobicContact CB-CG 4.07Å; A47-V332 HydrophobicContact CB-CB 3.93Å; A47-V332 HydrophobicContact CB-CG1 4.3Å; A47-V332 HydrophobicContact CB-CG2 4.05Å
48	V	90.8	Very high	84	Confident	2 Å²	2	53.7 Å²	53.7	1%	0.012	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-36.2	176.1	177.5	0	0	0	0	111.5	I29 F44 N52 I63 F65 V332	I29-V48 HydrophobicContact CD1-CG2 4.39Å; F44-V48 HydrophobicContact CZ-CG2 4.43Å; F44-V48 WeakPolarHBondContact O-CG2 3.31Å; F44-V48 PolarHBondContact O-N 2.7Å; V48-N52 VanDerWaalsContact CG1-ND2 3.35Å; V48-N52 WeakPolarHBondContact CG1-ND2 3.39Å; V48-N52 VanDerWaalsContact O-CB 3.25Å; V48-N52 WeakPolarHBondContact O-CB 3.15Å; V48-N52 PolarHBondContact O-N 3.09Å; V48-N52 PolarHBondContact O-ND2 2.94Å; V48-I63 HydrophobicContact CG1-CB 4.1Å; V48-I63 HydrophobicContact CG1-CG2 4.02Å; V48-I63 HydrophobicContact CG2-CG2 4.47Å; V48-F65 HydrophobicContact CB-CD1 4.22Å; V48-F65 HydrophobicContact CB-CE1 4.11Å; V48-F65 HydrophobicContact CG1-CD1 3.71Å; V48-F65 HydrophobicContact CG1-CE1 3.76Å; V48-F65 HydrophobicContact CG2-CD1 4.2Å; V48-F65 HydrophobicContact CG2-CE1 4.47Å; V48-V332 HydrophobicContact CB-CG1 4.5Å; V48-V332 HydrophobicContact CG2-CG1 3.58Å; V48-V332 HydrophobicContact CG2-CG2 4.43Å
49	A	88.6	Confident	83.3	Confident	44 Å²	44	51.9 Å²	51.9	36%	0.364	26%	0.258	S	S	.	.	H	α-helix	trans	-68.6	-48.5	176.2	0	0	0	0	0	112.7	R45 L46 A47 L51 N52 L53	R45-A49 VanDerWaalsContact O-CB 3.3Å; R45-A49 WeakPolarHBondContact O-CB 3.44Å; R45-A49 PolarHBondContact O-N 3.05Å; L46-A49 PolarHBondContact O-N 3.42Å; A47-A49 VanDerWaalsContact C-N 3.3Å; A47-A49 PolarHBondContact O-N 2.69Å; A49-L51 PolarHBondContact O-N 2.68Å; A49-N52 PolarHBondContact O-N 2.64Å; A49-L53 VanDerWaalsContact O-CG 3.28Å; A49-L53 WeakPolarHBondContact O-CG 3.16Å; A49-L53 PolarHBondContact O-N 3.47Å; A49-L53 VanDerWaalsContact O-N 3.14Å
50	D	85.8	Confident	82.4	Confident	25 Å²	25	53.1 Å²	53.1	13%	0.134	27%	0.273	C	S	.	.	H	α-helix	trans	-55.9	-39.4	175.6	-78.1	-8.5	0	0	0	111.1	L46 A47 N307 Y329	L46-D50 WeakPolarHBondContact O-CB 3.5Å; L46-D50 PolarHBondContact O-N 2.86Å; A47-D50 PolarHBondContact O-N 3.45Å; D50-N307 VanDerWaalsContact OD2-CB 3.29Å; D50-N307 WeakPolarHBondContact OD2-CB 3.21Å; D50-Y329 WeakPolarHBondContact OD2-CE2 3.42Å; D50-Y329 PolarHBondContact OD2-OH 3.06Å
51	L	84.8	Confident	81.8	Confident	1 Å²	1	55.1 Å²	55.1	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-78.5	-40.1	-179	-68.8	164.6	0	0	0	113.1	A47 A49 L53 N54 I57 V332 L333 A336	A47-L51 WeakPolarHBondContact O-CB 3.28Å; A47-L51 WeakPolarHBondContact O-CD1 3.38Å; A47-L51 VanDerWaalsContact O-CG 3.25Å; A47-L51 WeakPolarHBondContact O-CG 3.5Å; A47-L51 PolarHBondContact O-N 3.09Å; A49-L51 PolarHBondContact O-N 2.68Å; L51-L53 PolarHBondContact O-N 3.16Å; L51-N54 PolarHBondContact O-N 3.3Å; L51-I57 HydrophobicContact CD2-CD1 3.69Å; L51-V332 HydrophobicContact CD1-CB 4.16Å; L51-V332 HydrophobicContact CD1-CG1 3.64Å; L51-L333 HydrophobicContact CD1-CB 4.46Å; L51-L333 HydrophobicContact CD2-CD1 3.82Å; L51-A336 HydrophobicContact CD1-CB 4.1Å; L51-A336 HydrophobicContact CD2-CB 4.37Å
52	N	86.1	Confident	81.5	Confident	38 Å²	38	60.2 Å²	60.2	20%	0.203	30%	0.304	C	S	.	.	H	α-helix	trans	-69.4	-8.4	173.4	-80.7	-32	0	0	0	113.9	V48 A49 K62 I63	V48-N52 VanDerWaalsContact CG1-ND2 3.35Å; V48-N52 WeakPolarHBondContact CG1-ND2 3.39Å; V48-N52 VanDerWaalsContact O-CB 3.25Å; V48-N52 WeakPolarHBondContact O-CB 3.15Å; V48-N52 PolarHBondContact O-N 3.09Å; V48-N52 PolarHBondContact O-ND2 2.94Å; A49-N52 PolarHBondContact O-N 2.64Å; N52-K62 WeakPolarHBondContact OD1-CA 3.37Å; N52-I63 PolarHBondContact ND2-O 3.28Å; N52-I63 PolarHBondContact OD1-N 3.14Å
53	L	81.2	Confident	81.4	Confident	139 Å²	139	55.6 Å²	55.6	73%	0.728	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.4	-10.9	168.8	-71.2	169.5	0	0	0	112.8	A49 L51	A49-L53 VanDerWaalsContact O-CG 3.28Å; A49-L53 WeakPolarHBondContact O-CG 3.16Å; A49-L53 PolarHBondContact O-N 3.47Å; A49-L53 VanDerWaalsContact O-N 3.14Å; L51-L53 PolarHBondContact O-N 3.16Å
54	N	75.3	Confident	81.4	Confident	29 Å²	29	57.5 Å²	57.5	16%	0.155	29%	0.294	C	S	.	.			trans	-100.4	87.4	-176.3	-170.7	20.7	0	0	0	112	L51 E56 I57 L58 H304	L51-N54 PolarHBondContact O-N 3.3Å; N54-E56 PolarHBondContact O-N 2.99Å; N54-I57 VanDerWaalsContact ND2-CD1 3.25Å; N54-I57 WeakPolarHBondContact ND2-CD1 3.49Å; N54-I57 WeakPolarHBondContact ND2-CG1 3.46Å; N54-I57 PolarHBondContact O-N 3.34Å; N54-L58 PolarHBondContact O-N 3.31Å; N54-H304 PolarHBondContact ND2-ND1 3.03Å; N54-H304 VanDerWaalsContact ND2-ND1 3.14Å
55	N	69	Low	81.4	Confident	115 Å²	115	60.4 Å²	60.4	62%	0.615	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53	-27.1	178.7	-63.7	5.7	0	0	0	113.5	I57 L58 E59	N55-I57 PolarHBondContact O-N 3.21Å; N55-L58 CarbonylContact O-C 3.57Å; N55-E59 VanDerWaalsContact O-CG 3.25Å; N55-E59 WeakPolarHBondContact O-CG 3.49Å; N55-E59 PolarHBondContact O-N 3.39Å
56	E	68.1	Low	81.5	Confident	118 Å²	118	56.2 Å²	56.2	55%	0.551	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68	-15.6	179.1	-62.4	-171.7	-165.9	0	0	114.1	N54 N303	N54-E56 PolarHBondContact O-N 2.99Å; E56-N303 VanDerWaalsContact OE2-CB 3.3Å; E56-N303 WeakPolarHBondContact OE2-CB 3.23Å
57	I	70.5	Confident	81.7	Confident	22 Å²	22	55.1 Å²	55.1	11%	0.113	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	-33.6	175.5	-58	172	0	0	0	111	L51 N54 N55 H304 L333 A336 H340	L51-I57 HydrophobicContact CD2-CD1 3.69Å; N54-I57 VanDerWaalsContact ND2-CD1 3.25Å; N54-I57 WeakPolarHBondContact ND2-CD1 3.49Å; N54-I57 WeakPolarHBondContact ND2-CG1 3.46Å; N54-I57 PolarHBondContact O-N 3.34Å; N55-I57 PolarHBondContact O-N 3.21Å; I57-H304 HydrophobicContact CD1-CB 4.09Å; I57-L333 HydrophobicContact CD1-CD1 4.28Å; I57-A336 HydrophobicContact CG2-CB 3.96Å; I57-H340 HydrophobicContact CG2-CB 4.43Å; I57-H340 WeakPolarHBondContact O-CB 3.38Å; I57-H340 PolarHBondContact O-ND1 3.37Å
58	L	70.8	Confident	81.9	Confident	16 Å²	16	57.4 Å²	57.4	8%	0.084	30%	0.299	C	S	.	.			trans	-139	94.5	177.5	-66.6	173.3	0	0	0	110.1	I27 N54 N55 E61 I63	I27-L58 HydrophobicContact CD1-CD1 4.5Å; I27-L58 HydrophobicContact CD1-CD2 4.09Å; N54-L58 PolarHBondContact O-N 3.31Å; N55-L58 CarbonylContact O-C 3.57Å; L58-E61 WeakPolarHBondContact CB-O 3.43Å; L58-I63 HydrophobicContact CD1-CD1 3.92Å; L58-I63 HydrophobicContact CD1-CG1 3.67Å
59	E	66.3	Low	82	Confident	166 Å²	166	60.9 Å²	60.9	78%	0.776	31%	0.314	S	S	*	.	S	Bend	trans	-72.4	-34.4	-177.6	-67.9	-171.2	155.8	0	0	113.4	N55	N55-E59 VanDerWaalsContact O-CG 3.25Å; N55-E59 WeakPolarHBondContact O-CG 3.49Å; N55-E59 PolarHBondContact O-N 3.39Å
60	T	66.1	Low	82.2	Confident	118 Å²	118	58.8 Å²	58.8	72%	0.724	30%	0.297	S	S	*	.	S	Bend	trans	-121.3	-33.4	-169.1	59.6	0	0	0	0	115
61	E	76.6	Confident	82.2	Confident	43 Å²	43	61 Å²	61	20%	0.201	31%	0.309	C	S	.	.			trans	-105.2	161.1	-175.7	-73.1	-59.2	138.4	0	0	111.8	I26 I27 L58 L343	I26-E61 HydrophobicContact CB-CG 4.3Å; I26-E61 WeakPolarHBondContact CB-OE2 3.36Å; I26-E61 WeakPolarHBondContact CD1-OE1 3.25Å; I26-E61 WeakPolarHBondContact CG1-OE2 3.44Å; I26-E61 PolarHBondContact N-OE2 3.03Å; I27-E61 HydrophobicContact CD1-CB 3.86Å; I27-E61 HydrophobicContact CG1-CB 4.35Å; L58-E61 WeakPolarHBondContact CB-O 3.43Å; E61-L343 HydrophobicContact CG-CD1 4.34Å
62	K	84.2	Confident	81.8	Confident	133 Å²	133	61 Å²	61	58%	0.578	31%	0.309	S	S	*	.			trans	-129.1	140.5	174.8	-67.3	-171.1	177	-172.3	0	111.3	N52 T64	N52-K62 WeakPolarHBondContact OD1-CA 3.37Å; K62-T64 PolarHBondContact O-N 2.83Å
63	I	89	Confident	81.5	Confident	3 Å²	3	64.8 Å²	64.8	2%	0.015	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	117.1	173.5	-58	174.8	0	0	0	108	I27 I29 V48 N52 L58 A336	I27-I63 HydrophobicContact CG2-CG1 4.11Å; I29-I63 HydrophobicContact CD1-CG2 3.71Å; I29-I63 HydrophobicContact CG1-CG2 3.89Å; V48-I63 HydrophobicContact CG1-CB 4.1Å; V48-I63 HydrophobicContact CG1-CG2 4.02Å; V48-I63 HydrophobicContact CG2-CG2 4.47Å; N52-I63 PolarHBondContact ND2-O 3.28Å; N52-I63 PolarHBondContact OD1-N 3.14Å; L58-I63 HydrophobicContact CD1-CD1 3.92Å; L58-I63 HydrophobicContact CD1-CG1 3.67Å; I63-A336 HydrophobicContact CD1-CB 3.89Å
64	T	91.1	Very high	81.9	Confident	48 Å²	48	60.8 Å²	60.8	29%	0.294	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	161.4	162.2	63.9	0	0	0	0	109.9	S25 I27 H28 I29 K62	S25-T64 VanDerWaalsContact OG-CG2 3.23Å; S25-T64 WeakPolarHBondContact OG-CG2 3.05Å; S25-T64 PolarHBondContact OG-OG1 2.81Å; I27-T64 PolarHBondContact O-N 3.29Å; I27-T64 PolarHBondContact O-OG1 3.2Å; H28-T64 WeakPolarHBondContact CA-O 3.49Å; H28-T64 PolarHBondContact ND1-OG1 3.08Å; I29-T64 PolarHBondContact N-O 3.21Å; K62-T64 PolarHBondContact O-N 2.83Å
65	F	93.3	Very high	82.6	Confident	60 Å²	60	61.4 Å²	61.4	26%	0.263	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	156.5	-172.8	60.8	-88.5	0	0	0	113	I29 F44 R45 V48 V67	I29-F65 HydrophobicContact CD1-CB 4.45Å; I29-F65 HydrophobicContact CG1-CB 3.71Å; I29-F65 WeakPolarHBondContact O-CA 3.47Å; F44-F65 HydrophobicContact CD1-CD2 4.32Å; F44-F65 HydrophobicContact CE1-CB 4Å; F44-F65 AromaticContact CE1-CD2 3.69Å; F44-F65 HydrophobicContact CE1-CD2 3.69Å; F44-F65 HydrophobicContact CE1-CE2 4.31Å; F44-F65 AromaticContact CE1-CG 3.9Å; F44-F65 HydrophobicContact CE1-CG 3.9Å; F44-F65 HydrophobicContact CZ-CB 4.26Å; R45-F65 HydrophobicContact CB-CZ 4.47Å; R45-F65 HydrophobicContact CG-CE2 3.91Å; R45-F65 HydrophobicContact CG-CZ 3.85Å; V48-F65 HydrophobicContact CB-CD1 4.22Å; V48-F65 HydrophobicContact CB-CE1 4.11Å; V48-F65 HydrophobicContact CG1-CD1 3.71Å; V48-F65 HydrophobicContact CG1-CE1 3.76Å; V48-F65 HydrophobicContact CG2-CD1 4.2Å; V48-F65 HydrophobicContact CG2-CE1 4.47Å; F65-V67 HydrophobicContact CD2-CG2 3.92Å; F65-V67 HydrophobicContact CE2-CG2 4.18Å
66	S	94.4	Very high	83.7	Confident	21 Å²	21	63 Å²	63	15%	0.147	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	135.4	167.2	-67.7	0	0	0	0	108.8	H28 I29 A31	H28-S66 PolarHBondContact CE1-OG 2.97Å; H28-S66 PolarHBondContact NE2-OG 3.26Å; I29-S66 PolarHBondContact O-N 3.25Å; A31-S66 PolarHBondContact N-O 3.04Å
67	V	94.2	Very high	84.9	Confident	17 Å²	17	59.5 Å²	59.5	10%	0.103	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.6	175.8	178.3	0	0	0	0	107.6	A31 F33 F44 F65 F69	A31-V67 HydrophobicContact CB-CG2 4.04Å; A31-V67 WeakPolarHBondContact O-CA 3.45Å; F33-V67 HydrophobicContact CD2-CG1 3.49Å; F33-V67 VanDerWaalsContact CD2-CG1 3.49Å; F33-V67 HydrophobicContact CE2-CG1 3.8Å; F33-V67 HydrophobicContact CE2-CG2 4.21Å; F33-V67 HydrophobicContact CG-CG1 4.47Å; F44-V67 HydrophobicContact CD1-CG2 3.84Å; F44-V67 HydrophobicContact CE1-CG2 3.78Å; F65-V67 HydrophobicContact CD2-CG2 3.92Å; F65-V67 HydrophobicContact CE2-CG2 4.18Å; V67-F69 HydrophobicContact CG1-CE2 4.05Å; V67-F69 HydrophobicContact CG1-CZ 4.17Å
68	E	94.6	Very high	86	Confident	47 Å²	47	58.4 Å²	58.4	22%	0.22	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	152.6	169.2	-53.7	-58.8	168.7	0	0	110.2	A31 I32 F33 E81 L85 R88	A31-E68 PolarHBondContact O-N 2.67Å; I32-E68 WeakPolarHBondContact CA-O 3.34Å; F33-E68 PolarHBondContact N-O 3.45Å; F33-E68 VanDerWaalsContact N-O 3.1Å; E68-E81 HydrophobicContact CB-CB 4Å; E68-E81 HydrophobicContact CB-CG 4.36Å; E68-E81 HydrophobicContact CG-CB 4.31Å; E68-L85 HydrophobicContact CG-CD1 4.41Å; E68-L85 HydrophobicContact CG-CD2 4.17Å; E68-L85 HydrophobicContact CG-CG 4.25Å; E68-R88 IonicContact OE1-CZ 2.81Å; E68-R88 IonicContact OE1-NH1 2.77Å; E68-R88 PolarHBondContact OE1-NH1 2.95Å; E68-R88 IonicContact OE1-NH2 3.3Å; E68-R88 PolarHBondContact OE1-NH2 3.32Å
69	F	92.6	Very high	87	Confident	75 Å²	75	60 Å²	60	33%	0.329	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	139.8	-179.6	-68.4	-87	0	0	0	111.4	F33 E35 D41 V67	F33-F69 HydrophobicContact CB-CD1 3.99Å; F33-F69 HydrophobicContact CB-CE1 3.96Å; F33-F69 HydrophobicContact CD2-CE1 4.45Å; F33-F69 VanDerWaalsContact O-CA 3.31Å; F33-F69 WeakPolarHBondContact O-CA 3.33Å; E35-F69 HydrophobicContact CG-CB 4.14Å; D41-F69 HydrophobicContact CB-CE1 4.29Å; D41-F69 HydrophobicContact CB-CZ 3.77Å; V67-F69 HydrophobicContact CG1-CE2 4.05Å; V67-F69 HydrophobicContact CG1-CZ 4.17Å
70	V	91.4	Very high	88.3	Confident	0 Å²	0	56.4 Å²	56.4	0%	0	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	156.4	-177.6	-54.3	0	0	0	0	112.3	I32 F33 D34 E35 G72 Q77 A78 E81 I97	I32-V70 HydrophobicContact CG2-CG1 4.08Å; I32-V70 HydrophobicContact CG2-CG2 3.6Å; F33-V70 PolarHBondContact O-N 2.92Å; D34-V70 CarbonylContact C-O 3.59Å; D34-V70 VanDerWaalsContact CA-O 3.31Å; D34-V70 WeakPolarHBondContact CA-O 3.44Å; E35-V70 PolarHBondContact N-O 2.93Å; V70-G72 PolarHBondContact O-N 3.11Å; V70-Q77 HydrophobicContact CB-CG 4.06Å; V70-Q77 HydrophobicContact CG1-CG 3.85Å; V70-A78 HydrophobicContact CG2-CB 4.37Å; V70-E81 HydrophobicContact CG1-CB 4.24Å; V70-E81 HydrophobicContact CG1-CG 3.87Å; V70-I97 HydrophobicContact CG2-CG2 4.16Å
71	D	87.4	Confident	89.6	Confident	71 Å²	71	52.2 Å²	52.2	38%	0.38	26%	0.26	S	S	.	.			trans	-66.4	121	161.8	169.4	7.9	0	0	0	109	N73 N74	D71-N73 PolarHBondContact O-N 3.32Å; D71-N73 VanDerWaalsContact O-N 3.08Å; D71-N73 PolarHBondContact OD1-N 3.11Å; D71-N74 HydrophobicContact CB-CB 3.78Å; D71-N74 PolarHBondContact O-N 3.07Å
72	G	76.3	Confident	90.4	Very high	1 Å²	1	50.2 Å²	50.2	1%	0.01	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-20.2	179.8	0	0	0	0	0	114.6	D34 V70 S101	D34-G72 VanDerWaalsContact OD2-CA 3.25Å; D34-G72 WeakPolarHBondContact OD2-CA 3.5Å; D34-G72 PolarHBondContact OD2-N 3.34Å; D34-G72 VanDerWaalsContact OD2-N 3.16Å; V70-G72 PolarHBondContact O-N 3.11Å; G72-S101 WeakPolarHBondContact O-CB 3.44Å; G72-S101 PolarHBondContact O-OG 3.44Å
73	N	79.3	Confident	90.8	Very high	119 Å²	119	44.4 Å²	44.4	64%	0.636	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.1	1.7	174.6	-69.1	-48	0	0	0	114.2	D71 P75	D71-N73 PolarHBondContact O-N 3.32Å; D71-N73 VanDerWaalsContact O-N 3.08Å; D71-N73 PolarHBondContact OD1-N 3.11Å; N73-P75 WeakPolarHBondContact O-CD 3.16Å
74	N	89.8	Confident	91	Very high	54 Å²	54	48.5 Å²	48.5	29%	0.289	25%	0.246	S	C	.	.			trans	-105.4	83.3	-179.5	-171.2	-7.7	0	0	0	112.4	D71 F76 Q77 A78 S101	D71-N74 HydrophobicContact CB-CB 3.78Å; D71-N74 PolarHBondContact O-N 3.07Å; N74-F76 PolarHBondContact O-N 2.92Å; N74-F76 VanDerWaalsContact O-N 3.16Å; N74-F76 PolarHBondContact OD1-N 2.76Å; N74-Q77 HydrophobicContact CB-CB 4.12Å; N74-Q77 VanDerWaalsContact CG-CB 3.49Å; N74-Q77 VanDerWaalsContact ND2-CB 3.35Å; N74-Q77 WeakPolarHBondContact ND2-CB 3.04Å; N74-Q77 PolarHBondContact ND2-OE1 3.12Å; N74-Q77 VanDerWaalsContact ND2-OE1 3.09Å; N74-Q77 PolarHBondContact O-N 3.09Å; N74-Q77 PolarHBondContact OD1-N 3.38Å; N74-A78 PolarHBondContact O-N 2.97Å; N74-A78 VanDerWaalsContact O-N 3.08Å; N74-S101 PolarHBondContact N-OG 3.12Å
75	P	90.2	Very high	91.1	Very high	42 Å²	42	46.2 Å²	46.2	27%	0.273	23%	0.232	S	C	.	.	H	α-helix	trans	-62.8	-24.9	-177.7	24.3	-35	0	0	0	113.5	N73 V79 S104	N73-P75 WeakPolarHBondContact O-CD 3.16Å; P75-V79 WeakPolarHBondContact O-CB 3.33Å; P75-V79 WeakPolarHBondContact O-CG2 3.47Å; P75-V79 PolarHBondContact O-N 3.48Å; P75-V79 VanDerWaalsContact O-N 3.07Å; P75-S104 WeakPolarHBondContact CB-OG 3.33Å
76	F	91.9	Very high	91	Very high	148 Å²	148	43.4 Å²	43.4	65%	0.649	22%	0.219	S	C	*	.	H	α-helix	trans	-69.5	-48.4	177.3	177.5	-93.1	0	0	0	111.3	N74 V79 Q80	N74-F76 PolarHBondContact O-N 2.92Å; N74-F76 VanDerWaalsContact O-N 3.16Å; N74-F76 PolarHBondContact OD1-N 2.76Å; F76-V79 PolarHBondContact O-N 3.29Å; F76-Q80 WeakPolarHBondContact O-CB 3.05Å; F76-Q80 PolarHBondContact O-N 2.99Å
77	Q	93.5	Very high	90.8	Very high	45 Å²	45	45.3 Å²	45.3	21%	0.21	23%	0.228	C	C	.	.	H	α-helix	trans	-62	-44.3	175.3	-175.8	-175.8	-0	0	0	110.8	V70 N74 V79 Q80 E81	V70-Q77 HydrophobicContact CB-CG 4.06Å; V70-Q77 HydrophobicContact CG1-CG 3.85Å; N74-Q77 HydrophobicContact CB-CB 4.12Å; N74-Q77 VanDerWaalsContact CG-CB 3.49Å; N74-Q77 VanDerWaalsContact ND2-CB 3.35Å; N74-Q77 WeakPolarHBondContact ND2-CB 3.04Å; N74-Q77 PolarHBondContact ND2-OE1 3.12Å; N74-Q77 VanDerWaalsContact ND2-OE1 3.09Å; N74-Q77 PolarHBondContact O-N 3.09Å; N74-Q77 PolarHBondContact OD1-N 3.38Å; Q77-V79 PolarHBondContact O-N 3.39Å; Q77-Q80 WeakPolarHBondContact O-CB 3.36Å; Q77-Q80 PolarHBondContact O-N 3.49Å; Q77-Q80 VanDerWaalsContact O-N 3.14Å; Q77-E81 HydrophobicContact CG-CG 4.42Å; Q77-E81 WeakPolarHBondContact O-CG 3.44Å; Q77-E81 PolarHBondContact O-N 2.73Å
78	A	92.4	Very high	90.5	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-55.7	-46.9	175.9	0	0	0	0	0	112.6	V70 N74 A82 L105	V70-A78 HydrophobicContact CG2-CB 4.37Å; N74-A78 PolarHBondContact O-N 2.97Å; N74-A78 VanDerWaalsContact O-N 3.08Å; A78-A82 WeakPolarHBondContact O-CB 3.35Å; A78-A82 PolarHBondContact O-N 2.7Å; A78-L105 HydrophobicContact CB-CD2 4Å; A78-L105 HydrophobicContact CB-CG 4.31Å; A78-L105 WeakPolarHBondContact O-CD2 3.46Å
79	V	92.6	Very high	90.2	Very high	49 Å²	49	47.7 Å²	47.7	30%	0.297	23%	0.234	S	C	.	.	H	α-helix	trans	-67.9	-34.6	177	168.1	0	0	0	0	112.6	P75 F76 Q77 C83 L108	P75-V79 WeakPolarHBondContact O-CB 3.33Å; P75-V79 WeakPolarHBondContact O-CG2 3.47Å; P75-V79 PolarHBondContact O-N 3.48Å; P75-V79 VanDerWaalsContact O-N 3.07Å; F76-V79 PolarHBondContact O-N 3.29Å; Q77-V79 PolarHBondContact O-N 3.39Å; V79-C83 WeakPolarHBondContact O-CB 3.36Å; V79-C83 PolarHBondContact O-N 3.32Å; V79-L108 HydrophobicContact CG1-CD2 4.44Å
80	Q	93.4	Very high	90.2	Very high	90 Å²	90	44.3 Å²	44.3	42%	0.421	22%	0.22	S	C	.	.	H	α-helix	trans	-62.8	-56.2	175.9	-175.4	-177.4	-72	0	0	111	F76 Q77 A82 C83 E84	F76-Q80 WeakPolarHBondContact O-CB 3.05Å; F76-Q80 PolarHBondContact O-N 2.99Å; Q77-Q80 WeakPolarHBondContact O-CB 3.36Å; Q77-Q80 PolarHBondContact O-N 3.49Å; Q77-Q80 VanDerWaalsContact O-N 3.14Å; Q80-A82 PolarHBondContact O-N 3.48Å; Q80-C83 WeakPolarHBondContact O-CA 3.3Å; Q80-C83 WeakPolarHBondContact O-CB 3.42Å; Q80-C83 PolarHBondContact O-N 3.19Å; Q80-E84 PolarHBondContact O-N 3.48Å
81	E	94.5	Very high	90.2	Very high	31 Å²	31	44.3 Å²	44.3	15%	0.145	22%	0.22	C	C	.	.	H	α-helix	trans	-66.8	-36.5	-177.9	-56.7	-43	131.8	0	0	111.8	E68 V70 Q77 C83 E84 L85	E68-E81 HydrophobicContact CB-CB 4Å; E68-E81 HydrophobicContact CB-CG 4.36Å; E68-E81 HydrophobicContact CG-CB 4.31Å; V70-E81 HydrophobicContact CG1-CB 4.24Å; V70-E81 HydrophobicContact CG1-CG 3.87Å; Q77-E81 HydrophobicContact CG-CG 4.42Å; Q77-E81 WeakPolarHBondContact O-CG 3.44Å; Q77-E81 PolarHBondContact O-N 2.73Å; E81-C83 VanDerWaalsContact C-N 3.27Å; E81-C83 PolarHBondContact O-N 3.42Å; E81-E84 WeakPolarHBondContact O-CB 3.38Å; E81-E84 PolarHBondContact O-N 2.79Å; E81-E84 VanDerWaalsContact O-N 3.16Å; E81-L85 WeakPolarHBondContact O-CG 3.41Å; E81-L85 PolarHBondContact O-N 2.61Å
82	A	93.4	Very high	90.5	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.202	C	C	.	.	H	α-helix	trans	-60	-38	170.5	0	0	0	0	0	112.4	I32 A78 Q80 L85 M86 L93 L105 L108	I32-A82 HydrophobicContact CD1-CB 3.56Å; A78-A82 WeakPolarHBondContact O-CB 3.35Å; A78-A82 PolarHBondContact O-N 2.7Å; Q80-A82 PolarHBondContact O-N 3.48Å; A82-L85 PolarHBondContact O-N 2.79Å; A82-M86 VanDerWaalsContact O-CG 3.32Å; A82-M86 WeakPolarHBondContact O-CG 3.44Å; A82-M86 PolarHBondContact O-N 3.5Å; A82-L93 HydrophobicContact CB-CD2 4.31Å; A82-L105 HydrophobicContact CB-CD2 3.53Å; A82-L108 HydrophobicContact CB-CD2 3.57Å
83	C	92.6	Very high	91.4	Very high	11 Å²	11	41 Å²	41	7%	0.074	20%	0.201	C	C	.	.	H	α-helix	trans	-69.6	-37.9	174.9	-167.4	0	0	0	0	111.9	V79 Q80 E81 L85 M86 N87 C356	V79-C83 WeakPolarHBondContact O-CB 3.36Å; V79-C83 PolarHBondContact O-N 3.32Å; Q80-C83 WeakPolarHBondContact O-CA 3.3Å; Q80-C83 WeakPolarHBondContact O-CB 3.42Å; Q80-C83 PolarHBondContact O-N 3.19Å; E81-C83 VanDerWaalsContact C-N 3.27Å; E81-C83 PolarHBondContact O-N 3.42Å; C83-L85 PolarHBondContact O-N 3.39Å; C83-M86 PolarHBondContact O-N 2.96Å; C83-N87 PolarHBondContact O-N 2.73Å; C83-N87 PolarHBondContact O-ND2 2.96Å; C83-C356 WeakPolarHBondContact CA-SG 3.43Å; C83-C356 HydrophobicContact CB-CB 4.14Å; C83-C356 WeakPolarHBondContact CB-SG 3.4Å; C83-C356 WeakPolarHBondContact SG-CB 3.29Å; C83-C356 CovalentContact SG-SG 2.04Å; C83-C356 PolarHBondContact SG-SG 3.25Å
84	E	92.6	Very high	92.2	Very high	90 Å²	90	35.3 Å²	35.3	42%	0.421	17%	0.171	S	C	.	.	H	α-helix	trans	-58.6	-46.4	172	-70	-131.8	173	0	0	111.8	Q80 E81 M86 N87 R88	Q80-E84 PolarHBondContact O-N 3.48Å; E81-E84 WeakPolarHBondContact O-CB 3.38Å; E81-E84 PolarHBondContact O-N 2.79Å; E81-E84 VanDerWaalsContact O-N 3.16Å; E84-M86 VanDerWaalsContact C-N 3.33Å; E84-M86 PolarHBondContact O-N 3.35Å; E84-N87 PolarHBondContact O-N 3.16Å; E84-N87 VanDerWaalsContact O-N 3.15Å; E84-R88 WeakPolarHBondContact O-CG 3.4Å; E84-R88 PolarHBondContact O-N 2.99Å; E84-R88 IonicContact OE2-NH2 3.23Å; E84-R88 PolarHBondContact OE2-NH2 3.35Å
85	L	93	Very high	92.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-59.3	-40.7	174.6	-67.1	172.2	0	0	0	112.2	I32 E68 E81 A82 C83 R88 G89 I90 L93	I32-L85 HydrophobicContact CD1-CD1 4.09Å; I32-L85 HydrophobicContact CG1-CD1 3.68Å; E68-L85 HydrophobicContact CG-CD1 4.41Å; E68-L85 HydrophobicContact CG-CD2 4.17Å; E68-L85 HydrophobicContact CG-CG 4.25Å; E81-L85 WeakPolarHBondContact O-CG 3.41Å; E81-L85 PolarHBondContact O-N 2.61Å; A82-L85 PolarHBondContact O-N 2.79Å; C83-L85 PolarHBondContact O-N 3.39Å; L85-R88 PolarHBondContact O-N 2.82Å; L85-G89 PolarHBondContact O-N 2.96Å; L85-I90 HydrophobicContact CB-CD1 4.08Å; L85-I90 HydrophobicContact CB-CG2 4.3Å; L85-I90 WeakPolarHBondContact O-CG2 3.19Å; L85-L93 HydrophobicContact CD1-CD1 3.95Å
86	M	91.2	Very high	92.5	Very high	1 Å²	1	30.7 Å²	30.7	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-67.7	-34.6	174.6	-72.2	-178.9	-169.1	0	0	113.3	A82 C83 E84 R88 G89 I90 L93 L108 M112 I114 L354	A82-M86 VanDerWaalsContact O-CG 3.32Å; A82-M86 WeakPolarHBondContact O-CG 3.44Å; A82-M86 PolarHBondContact O-N 3.5Å; C83-M86 PolarHBondContact O-N 2.96Å; E84-M86 VanDerWaalsContact C-N 3.33Å; E84-M86 PolarHBondContact O-N 3.35Å; M86-R88 VanDerWaalsContact C-N 3.31Å; M86-R88 PolarHBondContact O-N 2.87Å; M86-G89 PolarHBondContact O-N 3.13Å; M86-I90 HydrophobicContact CG-CD1 4.27Å; M86-I90 HydrophobicContact CG-CG1 4.35Å; M86-L93 HydrophobicContact CE-CD2 4.43Å; M86-L108 HydrophobicContact CE-CD2 3.96Å; M86-L108 HydrophobicContact CE-CG 3.88Å; M86-L108 HydrophobicContact SD-CD1 4.35Å; M86-L108 HydrophobicContact SD-CD2 4.02Å; M86-L108 HydrophobicContact SD-CG 3.91Å; M86-M112 HydrophobicContact SD-CB 3.92Å; M86-M112 HydrophobicContact SD-CG 3.85Å; M86-I114 HydrophobicContact CE-CB 4.03Å; M86-I114 HydrophobicContact CE-CG1 4.11Å; M86-I114 HydrophobicContact CE-CG2 4.33Å; M86-I114 HydrophobicContact CG-CG1 4.38Å; M86-I114 HydrophobicContact SD-CG1 4.29Å; M86-L354 CarbonylContact C-O 3.38Å; M86-L354 HydrophobicContact CB-CB 4.25Å; M86-L354 PolarHBondContact O-N 2.04Å
87	N	89.5	Confident	92.5	Very high	61 Å²	61	23.7 Å²	23.7	33%	0.326	11%	0.114	S	C	.	.	H	α-helix	trans	-66	-34.7	171.6	-74	-80.3	0	0	0	111.3	C83 E84 G89 S353 L354	C83-N87 PolarHBondContact O-N 2.73Å; C83-N87 PolarHBondContact O-ND2 2.96Å; E84-N87 PolarHBondContact O-N 3.16Å; E84-N87 VanDerWaalsContact O-N 3.15Å; N87-G89 PolarHBondContact O-N 3.38Å; N87-S353 WeakPolarHBondContact O-CB 3.25Å; N87-S353 PolarHBondContact O-OG 3.27Å; N87-L354 WeakPolarHBondContact CA-O 3.49Å; N87-L354 PolarHBondContact N-O 3.38Å; N87-L354 PolarHBondContact OD1-O 3.5Å
88	R	88.9	Confident	92.1	Very high	110 Å²	110	22.3 Å²	22.3	42%	0.415	11%	0.111	S	C	.	.	H	α-helix	trans	-71.9	-12.7	174.1	-64.1	175.7	-155	169.4	12.6	113.7	E68 E84 L85 M86	E68-R88 IonicContact OE1-CZ 2.81Å; E68-R88 IonicContact OE1-NH1 2.77Å; E68-R88 PolarHBondContact OE1-NH1 2.95Å; E68-R88 IonicContact OE1-NH2 3.3Å; E68-R88 PolarHBondContact OE1-NH2 3.32Å; E84-R88 WeakPolarHBondContact O-CG 3.4Å; E84-R88 PolarHBondContact O-N 2.99Å; E84-R88 IonicContact OE2-NH2 3.23Å; E84-R88 PolarHBondContact OE2-NH2 3.35Å; L85-R88 PolarHBondContact O-N 2.82Å; M86-R88 VanDerWaalsContact C-N 3.31Å; M86-R88 PolarHBondContact O-N 2.87Å
89	G	88.2	Confident	91.7	Very high	4 Å²	4	24 Å²	24	4%	0.041	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	93.6	35.7	166.9	0	0	0	0	0	116.3	L85 M86 N87 M351 A352	L85-G89 PolarHBondContact O-N 2.96Å; M86-G89 PolarHBondContact O-N 3.13Å; N87-G89 PolarHBondContact O-N 3.38Å; G89-M351 WeakPolarHBondContact O-CB 3.34Å; G89-M351 VanDerWaalsContact O-CG 3.3Å; G89-M351 WeakPolarHBondContact O-CG 3.5Å; G89-M351 VanDerWaalsContact O-SD 3.41Å; G89-A352 WeakPolarHBondContact CA-O 3.46Å
90	I	92.5	Very high	91.3	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	14%	0.137	C	C	.	.			trans	-61.3	148.7	178.6	59.6	165.8	0	0	0	114.1	G30 L85 M86 L93 I114	G30-I90 VanDerWaalsContact N-CG2 3.28Å; L85-I90 HydrophobicContact CB-CD1 4.08Å; L85-I90 HydrophobicContact CB-CG2 4.3Å; L85-I90 WeakPolarHBondContact O-CG2 3.19Å; M86-I90 HydrophobicContact CG-CD1 4.27Å; M86-I90 HydrophobicContact CG-CG1 4.35Å; I90-L93 HydrophobicContact CD1-CB 3.95Å; I90-L93 HydrophobicContact CD1-CD1 4.09Å; I90-I114 HydrophobicContact CD1-CG2 4.24Å
91	L	91.6	Very high	91	Very high	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-90.4	-25.2	173.7	-65.1	171.6	0	0	0	113.8	I27 H28 F339 W348 M351 W364	I27-L91 HydrophobicContact CB-CD1 4.41Å; I27-L91 HydrophobicContact CG2-CD1 4.07Å; H28-L91 PolarHBondContact O-N 3.04Å; L91-F339 HydrophobicContact CB-CE1 4.14Å; L91-F339 HydrophobicContact CB-CZ 4.24Å; L91-F339 HydrophobicContact CD1-CE1 4.07Å; L91-F339 HydrophobicContact CD1-CZ 4.38Å; L91-W348 HydrophobicContact CD1-CH2 3.62Å; L91-W348 HydrophobicContact CD1-CZ2 3.6Å; L91-W348 HydrophobicContact CD2-CZ2 4.44Å; L91-M351 HydrophobicContact CD1-CG 4.25Å; L91-M351 HydrophobicContact CD2-CB 4.39Å; L91-M351 HydrophobicContact CD2-CG 3.55Å; L91-M351 HydrophobicContact CG-CG 3.7Å; L91-M351 HydrophobicContact CG-SD 4.47Å; L91-W364 HydrophobicContact CB-CH2 4.46Å; L91-W364 HydrophobicContact CD2-CH2 3.7Å; L91-W364 HydrophobicContact CD2-CZ2 3.56Å; L91-W364 WeakPolarHBondContact O-CZ3 3.37Å
92	A	93.8	Very high	90.7	Very high	1 Å²	1	21.8 Å²	21.8	1%	0.008	11%	0.111	C	C	.	.			trans	-152.8	150.2	178.9	0	0	0	0	0	109.3	G30 P115 L117 L335	G30-A92 PolarHBondContact N-O 3.45Å; A92-P115 WeakPolarHBondContact CA-O 3.26Å; A92-L117 HydrophobicContact CB-CD1 4.35Å; A92-L335 HydrophobicContact CB-CD1 4.26Å; A92-L335 HydrophobicContact CB-CD2 3.77Å
93	L	95.5	Very high	90.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	122.7	175.5	-178.9	62.6	0	0	0	109.4	G30 I32 A82 L85 M86 I90 L105 I114 P115 H116 L117	G30-L93 CarbonylContact O-C 3.53Å; G30-L93 WeakPolarHBondContact O-CA 3.39Å; I32-L93 HydrophobicContact CD1-CD1 4.04Å; I32-L93 HydrophobicContact CG1-CD1 4.11Å; A82-L93 HydrophobicContact CB-CD2 4.31Å; L85-L93 HydrophobicContact CD1-CD1 3.95Å; M86-L93 HydrophobicContact CE-CD2 4.43Å; I90-L93 HydrophobicContact CD1-CB 3.95Å; I90-L93 HydrophobicContact CD1-CD1 4.09Å; L93-L105 HydrophobicContact CD2-CD1 4.47Å; L93-I114 HydrophobicContact CB-CG2 4.26Å; L93-P115 PolarHBondContact N-O 2.96Å; L93-H116 CarbonylContact O-C 3.53Å; L93-H116 VanDerWaalsContact O-CA 3.31Å; L93-H116 WeakPolarHBondContact O-CA 3.32Å; L93-L117 PolarHBondContact O-N 2.97Å
94	V	96.1	Very high	90.2	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	138.2	169.8	-178.5	0	0	0	0	108.5	G30 A31 I32 F44 L117 I119 T331 L335	G30-V94 PolarHBondContact O-N 3.16Å; A31-V94 CarbonylContact C-O 3.57Å; A31-V94 VanDerWaalsContact CA-O 3.28Å; A31-V94 WeakPolarHBondContact CA-O 3.17Å; I32-V94 PolarHBondContact N-O 3.34Å; F44-V94 HydrophobicContact CE2-CG2 4.42Å; V94-L117 WeakPolarHBondContact CA-O 3.44Å; V94-I119 HydrophobicContact CG1-CD1 4.32Å; V94-T331 HydrophobicContact CG1-CG2 4.11Å; V94-T331 HydrophobicContact CG2-CG2 3.86Å; V94-L335 HydrophobicContact CG2-CD1 3.84Å
95	S	93.8	Very high	90.1	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	138.2	175.2	65.8	0	0	0	0	113.1	I32 H116 L117 I119	I32-S95 VanDerWaalsContact O-CA 3.29Å; I32-S95 WeakPolarHBondContact O-CA 3.41Å; S95-H116 PolarHBondContact OG-NE2 3.34Å; S95-L117 PolarHBondContact N-O 2.62Å; S95-I119 WeakPolarHBondContact O-CB 3.28Å; S95-I119 PolarHBondContact O-N 2.63Å
96	S	92.6	Very high	90	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	85.3	172.9	-167.9	0	0	0	0	109.3	I32 D34 D40 I119	I32-S96 PolarHBondContact O-N 2.93Å; D34-S96 PolarHBondContact N-O 2.81Å; D34-S96 VanDerWaalsContact N-O 3.11Å; D40-S96 VanDerWaalsContact OD2-CB 3.28Å; D40-S96 WeakPolarHBondContact OD2-CB 3.47Å; D40-S96 PolarHBondContact OD2-OG 3.29Å; S96-I119 WeakPolarHBondContact CA-O 3.37Å
97	I	90.3	Very high	89.8	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	174.9	-168.9	61	179.9	0	0	0	111.1	I32 V70 A102 L105 Y118 R121	I32-I97 HydrophobicContact CG2-CG2 4.19Å; V70-I97 HydrophobicContact CG2-CG2 4.16Å; I97-A102 HydrophobicContact CD1-CB 4.41Å; I97-A102 HydrophobicContact CG1-CB 4.33Å; I97-L105 HydrophobicContact CD1-CD1 3.47Å; I97-L105 VanDerWaalsContact CD1-CD1 3.47Å; I97-L105 HydrophobicContact CD1-CG 4.12Å; I97-Y118 HydrophobicContact CG1-CE2 4.24Å; I97-R121 PolarHBondContact O-N 3.12Å
98	G	86.5	Confident	89.8	Confident	16 Å²	16	21.9 Å²	21.9	17%	0.165	13%	0.125	C	C	.	.			trans	-78.5	161.5	175.3	0	0	0	0	0	114.6	M100 S101 A102	G98-M100 VanDerWaalsContact C-N 3.26Å; G98-M100 PolarHBondContact O-N 3.43Å; G98-M100 VanDerWaalsContact O-N 3.14Å; G98-S101 PolarHBondContact O-N 3.5Å; G98-A102 PolarHBondContact O-N 2.92Å
99	C	84.1	Confident	89.9	Confident	35 Å²	35	16.7 Å²	16.7	24%	0.236	11%	0.106	C	C	.	.	H	α-helix	trans	-53.1	-36.9	-175.8	-62.3	0	0	0	0	114.4	A102 G103 Q120 C131	C99-A102 PolarHBondContact O-N 3.39Å; C99-G103 PolarHBondContact O-N 3.3Å; C99-Q120 PolarHBondContact SG-NE2 3.05Å; C99-C131 HydrophobicContact CB-CB 3.73Å; C99-C131 WeakPolarHBondContact CB-SG 3.34Å; C99-C131 VanDerWaalsContact SG-CA 3.51Å; C99-C131 WeakPolarHBondContact SG-CB 3.44Å; C99-C131 CovalentContact SG-SG 2.04Å; C99-C131 PolarHBondContact SG-SG 2.83Å
100	M	82.9	Confident	89.9	Confident	122 Å²	122	18.2 Å²	18.2	60%	0.601	11%	0.113	S	C	*	.	H	α-helix	trans	-61	-51.1	-174.9	-70	-61.2	-64.8	0	0	112	G98	G98-M100 VanDerWaalsContact C-N 3.26Å; G98-M100 PolarHBondContact O-N 3.43Å; G98-M100 VanDerWaalsContact O-N 3.14Å
101	S	88.4	Confident	89.7	Confident	0 Å²	0	21 Å²	21	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-75.3	-32.2	179.1	-62.1	0	0	0	0	112.3	G72 N74 G98 G103 S104 L105	G72-S101 WeakPolarHBondContact O-CB 3.44Å; G72-S101 PolarHBondContact O-OG 3.44Å; N74-S101 PolarHBondContact N-OG 3.12Å; G98-S101 PolarHBondContact O-N 3.5Å; S101-G103 VanDerWaalsContact C-N 3.33Å; S101-G103 PolarHBondContact O-N 3.05Å; S101-S104 PolarHBondContact O-N 3.27Å; S101-L105 PolarHBondContact O-N 2.79Å
102	A	87.7	Confident	89.6	Confident	2 Å²	2	21.6 Å²	21.6	2%	0.017	14%	0.14	C	C	.	.	H	α-helix	trans	-59.3	-38.4	177.8	0	0	0	0	0	113.5	I97 G98 C99 S104 L105 Q106 Y118	I97-A102 HydrophobicContact CD1-CB 4.41Å; I97-A102 HydrophobicContact CG1-CB 4.33Å; G98-A102 PolarHBondContact O-N 2.92Å; C99-A102 PolarHBondContact O-N 3.39Å; A102-S104 VanDerWaalsContact C-N 3.34Å; A102-S104 PolarHBondContact O-N 3.06Å; A102-L105 PolarHBondContact O-N 2.88Å; A102-Q106 PolarHBondContact O-N 2.83Å; A102-Y118 HydrophobicContact CB-CD1 4.33Å; A102-Y118 HydrophobicContact CB-CD2 3.86Å; A102-Y118 HydrophobicContact CB-CE1 3.88Å; A102-Y118 HydrophobicContact CB-CE2 3.36Å; A102-Y118 HydrophobicContact CB-CG 4.32Å
103	G	87.1	Confident	89.5	Confident	23 Å²	23	24.3 Å²	24.3	24%	0.237	15%	0.152	C	C	.	.	H	α-helix	trans	-64.3	-36.2	176.6	0	0	0	0	0	113.7	C99 S101 T107	C99-G103 PolarHBondContact O-N 3.3Å; S101-G103 VanDerWaalsContact C-N 3.33Å; S101-G103 PolarHBondContact O-N 3.05Å; G103-T107 PolarHBondContact O-N 3.34Å; G103-T107 VanDerWaalsContact O-N 3.17Å; G103-T107 PolarHBondContact O-OG1 3.33Å
104	S	88.6	Confident	89.3	Confident	41 Å²	41	24.4 Å²	24.4	29%	0.287	15%	0.152	S	C	.	.	H	α-helix	trans	-73.1	-36.9	174	-56.6	0	0	0	0	112.4	P75 S101 A102 T107 L108	P75-S104 WeakPolarHBondContact CB-OG 3.33Å; S101-S104 PolarHBondContact O-N 3.27Å; A102-S104 VanDerWaalsContact C-N 3.34Å; A102-S104 PolarHBondContact O-N 3.06Å; S104-T107 PolarHBondContact O-N 2.92Å; S104-L108 PolarHBondContact O-N 3.02Å
105	L	90.5	Very high	89.2	Confident	1 Å²	1	24.4 Å²	24.4	1%	0.005	15%	0.152	C	C	.	.	H	α-helix	trans	-62.7	-41.9	171	-69.2	-164.2	0	0	0	112.5	I32 A78 A82 L93 I97 S101 A102 T107 L108 A109	I32-L105 HydrophobicContact CD1-CD1 4.07Å; I32-L105 HydrophobicContact CD1-CD2 4.18Å; A78-L105 HydrophobicContact CB-CD2 4Å; A78-L105 HydrophobicContact CB-CG 4.31Å; A78-L105 WeakPolarHBondContact O-CD2 3.46Å; A82-L105 HydrophobicContact CB-CD2 3.53Å; L93-L105 HydrophobicContact CD2-CD1 4.47Å; I97-L105 HydrophobicContact CD1-CD1 3.47Å; I97-L105 VanDerWaalsContact CD1-CD1 3.47Å; I97-L105 HydrophobicContact CD1-CG 4.12Å; S101-L105 PolarHBondContact O-N 2.79Å; A102-L105 PolarHBondContact O-N 2.88Å; L105-T107 PolarHBondContact O-N 2.95Å; L105-L108 PolarHBondContact O-N 3.41Å; L105-A109 WeakPolarHBondContact O-CB 3.3Å; L105-A109 PolarHBondContact O-N 3.32Å
106	Q	89.4	Confident	89.2	Confident	2 Å²	2	24.4 Å²	24.4	1%	0.009	15%	0.152	C	C	.	.	H	α-helix	trans	-58.9	-47.3	174.6	170	152.6	-1.1	0	0	111.2	A102 L108 A109 D110 T134 D142 T144	A102-Q106 PolarHBondContact O-N 2.83Å; Q106-L108 PolarHBondContact O-N 3.04Å; Q106-A109 PolarHBondContact O-N 3.02Å; Q106-A109 VanDerWaalsContact O-N 3.1Å; Q106-D110 WeakPolarHBondContact CG-OD2 3.19Å; Q106-D110 PolarHBondContact NE2-OD2 2.93Å; Q106-D110 WeakPolarHBondContact O-CB 3.29Å; Q106-D110 VanDerWaalsContact O-CG 3.26Å; Q106-D110 PolarHBondContact O-N 3.05Å; Q106-T134 PolarHBondContact OE1-OG1 3.31Å; Q106-D142 VanDerWaalsContact NE2-CG 3.3Å; Q106-D142 PolarHBondContact NE2-OD1 3.03Å; Q106-T144 WeakPolarHBondContact CA-OG1 3.35Å; Q106-T144 HydrophobicContact CB-CG2 4.43Å; Q106-T144 WeakPolarHBondContact CB-OG1 3.42Å; Q106-T144 VanDerWaalsContact CD-CB 3.49Å; Q106-T144 VanDerWaalsContact CG-OG1 3.26Å; Q106-T144 WeakPolarHBondContact CG-OG1 3.46Å; Q106-T144 VanDerWaalsContact OE1-CB 3.31Å
107	T	88.1	Confident	89.3	Confident	80 Å²	80	24.4 Å²	24.4	49%	0.491	15%	0.152	S	C	.	.	H	α-helix	trans	-58.5	-36	179.7	-54.7	0	0	0	0	112	G103 S104 L105 A111	G103-T107 PolarHBondContact O-N 3.34Å; G103-T107 VanDerWaalsContact O-N 3.17Å; G103-T107 PolarHBondContact O-OG1 3.33Å; S104-T107 PolarHBondContact O-N 2.92Å; L105-T107 PolarHBondContact O-N 2.95Å; T107-A111 VanDerWaalsContact O-CB 3.25Å; T107-A111 WeakPolarHBondContact O-CB 3.44Å; T107-A111 PolarHBondContact O-N 3.17Å
108	L	89.4	Confident	89.5	Confident	19 Å²	19	24.8 Å²	24.8	10%	0.099	15%	0.154	C	C	.	.	H	α-helix	trans	-72.8	-43.8	174.3	-178	67.3	0	0	0	112.5	V79 A82 M86 S104 L105 Q106 A111 M112 C356	V79-L108 HydrophobicContact CG1-CD2 4.44Å; A82-L108 HydrophobicContact CB-CD2 3.57Å; M86-L108 HydrophobicContact CE-CD2 3.96Å; M86-L108 HydrophobicContact CE-CG 3.88Å; M86-L108 HydrophobicContact SD-CD1 4.35Å; M86-L108 HydrophobicContact SD-CD2 4.02Å; M86-L108 HydrophobicContact SD-CG 3.91Å; S104-L108 PolarHBondContact O-N 3.02Å; L105-L108 PolarHBondContact O-N 3.41Å; Q106-L108 PolarHBondContact O-N 3.04Å; L108-A111 PolarHBondContact O-N 2.94Å; L108-M112 HydrophobicContact CD1-CG 3.98Å; L108-M112 HydrophobicContact CG-CG 4.48Å; L108-M112 WeakPolarHBondContact O-CB 3.36Å; L108-M112 VanDerWaalsContact O-CG 3.24Å; L108-M112 WeakPolarHBondContact O-CG 3.25Å; L108-M112 PolarHBondContact O-N 2.86Å; L108-C356 HydrophobicContact CD1-CB 3.76Å
109	A	90.7	Very high	89.8	Confident	0 Å²	0	24 Å²	24	0%	0	15%	0.146	C	C	.	.	H	α-helix	trans	-60.2	-47.2	178.2	0	0	0	0	0	111.9	L105 Q106 M112 H113 I114 H116	L105-A109 WeakPolarHBondContact O-CB 3.3Å; L105-A109 PolarHBondContact O-N 3.32Å; Q106-A109 PolarHBondContact O-N 3.02Å; Q106-A109 VanDerWaalsContact O-N 3.1Å; A109-M112 PolarHBondContact O-N 3.2Å; A109-H113 WeakPolarHBondContact O-CA 3.31Å; A109-H113 PolarHBondContact O-N 2.84Å; A109-I114 WeakPolarHBondContact CB-O 3.48Å; A109-I114 PolarHBondContact O-N 2.84Å; A109-I114 VanDerWaalsContact O-N 3.1Å; A109-H116 HydrophobicContact CB-CB 3.57Å
110	D	89.1	Confident	90	Very high	37 Å²	37	23.2 Å²	23.2	20%	0.198	14%	0.139	C	C	.	.	H	α-helix	trans	-63.6	-41.8	177.3	-65.3	-17	0	0	0	111	Q106 M112 H113 Y143	Q106-D110 WeakPolarHBondContact CG-OD2 3.19Å; Q106-D110 PolarHBondContact NE2-OD2 2.93Å; Q106-D110 WeakPolarHBondContact O-CB 3.29Å; Q106-D110 VanDerWaalsContact O-CG 3.26Å; Q106-D110 PolarHBondContact O-N 3.05Å; D110-M112 VanDerWaalsContact C-N 3.33Å; D110-M112 PolarHBondContact O-N 2.91Å; D110-H113 PolarHBondContact O-CD2 2.9Å; D110-Y143 WeakPolarHBondContact OD1-CB 3.04Å; D110-Y143 PolarHBondContact OD1-N 2.98Å
111	A	88.4	Confident	90.1	Very high	63 Å²	63	19.2 Å²	19.2	52%	0.521	12%	0.117	S	C	.	.	H	α-helix	trans	-68.7	-27.6	177.8	0	0	0	0	0	114.1	T107 L108	T107-A111 VanDerWaalsContact O-CB 3.25Å; T107-A111 WeakPolarHBondContact O-CB 3.44Å; T107-A111 PolarHBondContact O-N 3.17Å; L108-A111 PolarHBondContact O-N 2.94Å
112	M	89.4	Confident	89.6	Confident	12 Å²	12	20 Å²	20	6%	0.059	12%	0.122	C	C	.	.	H	α-helix	trans	-105.1	-4.1	-175.1	-58.7	-55.1	-69.4	0	0	113.8	M86 L108 A109 D110 I114 L354 C356 P363 W364	M86-M112 HydrophobicContact SD-CB 3.92Å; M86-M112 HydrophobicContact SD-CG 3.85Å; L108-M112 HydrophobicContact CD1-CG 3.98Å; L108-M112 HydrophobicContact CG-CG 4.48Å; L108-M112 WeakPolarHBondContact O-CB 3.36Å; L108-M112 VanDerWaalsContact O-CG 3.24Å; L108-M112 WeakPolarHBondContact O-CG 3.25Å; L108-M112 PolarHBondContact O-N 2.86Å; A109-M112 PolarHBondContact O-N 3.2Å; D110-M112 VanDerWaalsContact C-N 3.33Å; D110-M112 PolarHBondContact O-N 2.91Å; M112-I114 HydrophobicContact CB-CG1 4.29Å; M112-L354 HydrophobicContact CB-CD1 4.29Å; M112-L354 HydrophobicContact CE-CB 3.68Å; M112-L354 HydrophobicContact CE-CD1 4.16Å; M112-L354 HydrophobicContact CE-CD2 4.23Å; M112-L354 HydrophobicContact CE-CG 4.24Å; M112-C356 HydrophobicContact SD-CB 4.43Å; M112-P363 VanDerWaalsContact C-CB 3.47Å; M112-P363 WeakPolarHBondContact O-CA 3.45Å; M112-P363 WeakPolarHBondContact O-CB 3.47Å; M112-W364 PolarHBondContact O-N 3.43Å
113	H	91.1	Very high	88.6	Confident	58 Å²	58	23.2 Å²	23.2	27%	0.269	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	55.5	42.3	-172	-60.9	178.6	0	0	0	113.8	A109 D110 Y143 P363 W364 G367	A109-H113 WeakPolarHBondContact O-CA 3.31Å; A109-H113 PolarHBondContact O-N 2.84Å; D110-H113 PolarHBondContact O-CD2 2.9Å; H113-Y143 HydrophobicContact CB-CD1 4.34Å; H113-Y143 HydrophobicContact CB-CE1 3.61Å; H113-Y143 HydrophobicContact CB-CE2 4.2Å; H113-Y143 AromaticContact CD2-CE2 3.46Å; H113-Y143 VanDerWaalsContact CD2-CE2 3.46Å; H113-Y143 WeakPolarHBondContact CD2-CE2 3.48Å; H113-Y143 AromaticContact CD2-CZ 3.54Å; H113-Y143 PolarHBondContact CD2-OH 3.01Å; H113-Y143 AromaticContact CG-CE2 3.9Å; H113-Y143 AromaticContact CG-CZ 3.46Å; H113-Y143 VanDerWaalsContact CG-CZ 3.46Å; H113-Y143 PolarHBondContact ND1-OH 2.92Å; H113-P363 HydrophobicContact CB-CB 3.9Å; H113-W364 WeakPolarHBondContact CB-O 3.5Å; H113-G367 WeakPolarHBondContact O-CA 3.39Å
114	I	92.1	Very high	87.9	Confident	1 Å²	1	27.4 Å²	27.4	1%	0.005	16%	0.164	C	C	.	.			trans	-102.3	120	174.7	-63.6	-60.5	0	0	0	109.1	M86 I90 L93 A109 M112 H116 L354 W364	M86-I114 HydrophobicContact CE-CB 4.03Å; M86-I114 HydrophobicContact CE-CG1 4.11Å; M86-I114 HydrophobicContact CE-CG2 4.33Å; M86-I114 HydrophobicContact CG-CG1 4.38Å; M86-I114 HydrophobicContact SD-CG1 4.29Å; I90-I114 HydrophobicContact CD1-CG2 4.24Å; L93-I114 HydrophobicContact CB-CG2 4.26Å; A109-I114 WeakPolarHBondContact CB-O 3.48Å; A109-I114 PolarHBondContact O-N 2.84Å; A109-I114 VanDerWaalsContact O-N 3.1Å; M112-I114 HydrophobicContact CB-CG1 4.29Å; I114-H116 PolarHBondContact O-N 2.97Å; I114-L354 HydrophobicContact CD1-CD1 3.76Å; I114-L354 HydrophobicContact CG1-CD1 3.95Å; I114-W364 HydrophobicContact CD1-CB 4.15Å; I114-W364 HydrophobicContact CD1-CD2 4.43Å; I114-W364 HydrophobicContact CD1-CE3 3.96Å
115	P	93.7	Very high	87.3	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.161	C	C	.	.			trans	-55.9	123.6	173.5	-24.3	33.7	0	0	0	111.6	A92 L93 M370 L371	A92-P115 WeakPolarHBondContact CA-O 3.26Å; L93-P115 PolarHBondContact N-O 2.96Å; P115-M370 HydrophobicContact CG-CB 4.03Å; P115-M370 HydrophobicContact CG-CG 4.01Å; P115-L371 HydrophobicContact CB-CD1 4.43Å; P115-L371 HydrophobicContact CG-CB 4.33Å
116	H	93.8	Very high	87.1	Confident	0 Å²	0	26.6 Å²	26.6	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	113	-174	170.9	-135.4	0	0	0	109.9	L93 S95 A109 I114 Y143 T144 L145	L93-H116 CarbonylContact O-C 3.53Å; L93-H116 VanDerWaalsContact O-CA 3.31Å; L93-H116 WeakPolarHBondContact O-CA 3.32Å; S95-H116 PolarHBondContact OG-NE2 3.34Å; A109-H116 HydrophobicContact CB-CB 3.57Å; I114-H116 PolarHBondContact O-N 2.97Å; H116-Y143 PolarHBondContact N-O 3.47Å; H116-T144 WeakPolarHBondContact ND1-CG2 3.48Å; H116-T144 PolarHBondContact ND1-OG1 2.86Å; H116-T144 CarbonylContact O-C 3.52Å; H116-T144 VanDerWaalsContact O-CA 3.32Å; H116-T144 WeakPolarHBondContact O-CA 3.47Å; H116-L145 PolarHBondContact O-N 2.87Å
117	L	94.9	Very high	87	Confident	0 Å²	0	26.5 Å²	26.5	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	99.7	-177.8	-66.8	90.8	0	0	0	108.6	A92 L93 V94 S95 L145 V147 T331 L334 L335 V374	A92-L117 HydrophobicContact CB-CD1 4.35Å; L93-L117 PolarHBondContact O-N 2.97Å; V94-L117 WeakPolarHBondContact CA-O 3.44Å; S95-L117 PolarHBondContact N-O 2.62Å; L117-L145 HydrophobicContact CG-CB 4.49Å; L117-L145 HydrophobicContact CG-CD1 4.36Å; L117-V147 HydrophobicContact CB-CG2 3.86Å; L117-T331 HydrophobicContact CB-CG2 3.82Å; L117-T331 HydrophobicContact CD2-CG2 3.75Å; L117-T331 HydrophobicContact CG-CG2 4.36Å; L117-L334 HydrophobicContact CD2-CD2 4.43Å; L117-L335 HydrophobicContact CD1-CD2 3.99Å; L117-L335 HydrophobicContact CD2-CD2 4.44Å; L117-L335 HydrophobicContact CD2-CG 4.47Å; L117-V374 HydrophobicContact CD2-CG1 4.19Å
118	Y	93	Very high	87	Confident	8 Å²	8	23 Å²	23	3%	0.031	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	126.1	-172.8	170.1	-131	0	0	0	111.7	I97 A102 Q120 C131 L145 M146 V147	I97-Y118 HydrophobicContact CG1-CE2 4.24Å; A102-Y118 HydrophobicContact CB-CD1 4.33Å; A102-Y118 HydrophobicContact CB-CD2 3.86Å; A102-Y118 HydrophobicContact CB-CE1 3.88Å; A102-Y118 HydrophobicContact CB-CE2 3.36Å; A102-Y118 HydrophobicContact CB-CG 4.32Å; Y118-Q120 HydrophobicContact CE1-CB 4.22Å; Y118-Q120 HydrophobicContact CE2-CB 4.43Å; Y118-C131 PolarHBondContact OH-SG 3.37Å; Y118-L145 PolarHBondContact N-O 2.7Å; Y118-M146 HydrophobicContact CD1-CG 4.44Å; Y118-V147 WeakPolarHBondContact O-CB 3.46Å; Y118-V147 PolarHBondContact O-N 3.39Å
119	I	92.8	Very high	86.8	Confident	0 Å²	0	22.9 Å²	22.9	0%	0	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	106.6	175.7	-60	168.4	0	0	0	106.8	V94 S95 S96 R121 V147 R148 T324 I328	V94-I119 HydrophobicContact CG1-CD1 4.32Å; S95-I119 WeakPolarHBondContact O-CB 3.28Å; S95-I119 PolarHBondContact O-N 2.63Å; S96-I119 WeakPolarHBondContact CA-O 3.37Å; I119-R121 PolarHBondContact O-N 3.34Å; I119-R121 VanDerWaalsContact O-N 3.16Å; I119-V147 HydrophobicContact CD1-CG1 4.45Å; I119-V147 HydrophobicContact CG1-CB 3.74Å; I119-V147 HydrophobicContact CG1-CG1 3.97Å; I119-V147 HydrophobicContact CG1-CG2 3.97Å; I119-R148 HydrophobicContact CG2-CG 4.24Å; I119-T324 HydrophobicContact CG2-CG2 4.22Å; I119-I328 HydrophobicContact CD1-CB 4.25Å; I119-I328 HydrophobicContact CD1-CG1 3.44Å; I119-I328 VanDerWaalsContact CD1-CG1 3.44Å
120	Q	89.3	Confident	86.3	Confident	19 Å²	19	26.6 Å²	26.6	9%	0.089	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.9	117	178.5	-176.5	-176.5	8.1	0	0	110.5	C99 Y118 S129 R148	C99-Q120 PolarHBondContact SG-NE2 3.05Å; Y118-Q120 HydrophobicContact CE1-CB 4.22Å; Y118-Q120 HydrophobicContact CE2-CB 4.43Å; Q120-S129 PolarHBondContact NE2-O 3.37Å; Q120-R148 WeakPolarHBondContact O-CD 3.42Å; Q120-R148 PolarHBondContact O-NH1 2.82Å
121	R	85.4	Confident	85.8	Confident	37 Å²	37	26.1 Å²	26.1	14%	0.14	16%	0.162	C	C	.	.			trans	-91.4	148	169	-165.6	168.3	-172.7	87.2	13.7	110.1	S37 D40 I97 I119 E322 T324	S37-R121 VanDerWaalsContact CB-CZ 3.49Å; D40-R121 IonicContact OD1-CZ 2.8Å; D40-R121 IonicContact OD1-NH1 2.76Å; D40-R121 PolarHBondContact OD1-NH1 2.8Å; D40-R121 IonicContact OD2-CZ 3.23Å; D40-R121 IonicContact OD2-NH1 3.26Å; D40-R121 PolarHBondContact OD2-NH1 3.17Å; I97-R121 PolarHBondContact O-N 3.12Å; I119-R121 PolarHBondContact O-N 3.34Å; I119-R121 VanDerWaalsContact O-N 3.16Å; R121-E322 IonicContact CZ-OE2 3.8Å; R121-E322 IonicContact NH1-OE2 2.95Å; R121-E322 IonicContact NH2-OE2 3.13Å; R121-E322 PolarHBondContact NH2-OE2 3.41Å; R121-T324 HydrophobicContact CG-CG2 4.39Å; R121-T324 PolarHBondContact NH1-OG1 3.48Å
122	S	76.8	Confident	84.6	Confident	16 Å²	16	26.4 Å²	26.4	11%	0.112	16%	0.159	C	C	.	.			trans	-110.1	139	175.2	-155.9	0	0	0	0	110.4	V124 T126	S122-V124 PolarHBondContact O-N 2.85Å; S122-T126 VanDerWaalsContact CB-O 3.29Å; S122-T126 WeakPolarHBondContact CB-O 3.46Å; S122-T126 PolarHBondContact OG-O 3.13Å; S122-T126 PolarHBondContact OG-OG1 2.95Å
123	P	67.9	Low	83	Confident	70 Å²	70	31.7 Å²	31.7	46%	0.455	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-65.1	133.3	175.5	27.4	-33.2	0	0	0	110.6	G125 T126	P123-G125 PolarHBondContact O-N 3.11Å; P123-T126 WeakPolarHBondContact O-CB 3.37Å; P123-T126 WeakPolarHBondContact O-CG2 3.45Å; P123-T126 PolarHBondContact O-N 3.25Å; P123-T126 PolarHBondContact O-OG1 3.45Å
124	V	71	Confident	81.3	Confident	111 Å²	111	29.8 Å²	29.8	67%	0.673	19%	0.186	S	C	*	.	G	3₁₀ helix	trans	52.5	27	169.8	-154.5	0	0	0	0	114.6	S122 T126 S236	S122-V124 PolarHBondContact O-N 2.85Å; V124-T126 PolarHBondContact O-N 2.95Å; V124-S236 WeakPolarHBondContact O-CB 3.42Å
125	G	77.3	Confident	79.1	Confident	22 Å²	22	33 Å²	33	23%	0.227	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	67.1	19.4	-178.3	0	0	0	0	0	114.4	P123 S236 N263	P123-G125 PolarHBondContact O-N 3.11Å; G125-S236 WeakPolarHBondContact O-CA 3.4Å; G125-N263 PolarHBondContact O-ND2 3.04Å
126	T	85.3	Confident	77.4	Confident	3 Å²	3	38 Å²	38	2%	0.018	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-65.7	156.8	169.3	58.3	0	0	0	0	110.9	S122 P123 V124 D174	S122-T126 VanDerWaalsContact CB-O 3.29Å; S122-T126 WeakPolarHBondContact CB-O 3.46Å; S122-T126 PolarHBondContact OG-O 3.13Å; S122-T126 PolarHBondContact OG-OG1 2.95Å; P123-T126 WeakPolarHBondContact O-CB 3.37Å; P123-T126 WeakPolarHBondContact O-CG2 3.45Å; P123-T126 PolarHBondContact O-N 3.25Å; P123-T126 PolarHBondContact O-OG1 3.45Å; V124-T126 PolarHBondContact O-N 2.95Å; T126-D174 HydrophobicContact CG2-CB 3.79Å
127	P	88.3	Confident	75.5	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.006	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-59.8	142.3	177.1	-19.5	31.4	0	0	0	111.3	S129 L153 F177 F234 N263	P127-S129 PolarHBondContact O-N 2.86Å; P127-L153 HydrophobicContact CB-CD1 3.79Å; P127-F177 HydrophobicContact CB-CD2 4.4Å; P127-F177 HydrophobicContact CB-CE2 4.07Å; P127-F177 VanDerWaalsContact O-CD2 3.3Å; P127-F177 WeakPolarHBondContact O-CD2 3.35Å; P127-F177 VanDerWaalsContact O-CE2 3.29Å; P127-F177 WeakPolarHBondContact O-CE2 3.23Å; P127-F234 HydrophobicContact CB-CD1 4.47Å; P127-F234 HydrophobicContact CG-CD1 4.44Å; P127-N263 HydrophobicContact CG-CB 4.15Å
128	R	88.3	Confident	73.3	Confident	5 Å²	5	49.8 Å²	49.8	2%	0.019	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-65.3	135.8	176.5	-67	-167.8	-61.5	140.1	-2.9	110.9	P149 V151 E264	R128-P149 PolarHBondContact NH1-O 3.43Å; R128-P149 PolarHBondContact NH2-O 3.26Å; R128-V151 HydrophobicContact CB-CG2 3.68Å; R128-V151 VanDerWaalsContact O-CG1 3.31Å; R128-V151 WeakPolarHBondContact O-CG1 3.31Å; R128-E264 IonicContact CZ-OE1 3.79Å; R128-E264 IonicContact CZ-OE2 3.71Å; R128-E264 IonicContact NE-OE1 3.31Å; R128-E264 PolarHBondContact NE-OE1 2.96Å; R128-E264 IonicContact NE-OE2 3.97Å; R128-E264 PolarHBondContact NE-OE2 2.98Å; R128-E264 IonicContact NH2-OE1 3.14Å; R128-E264 PolarHBondContact NH2-OE1 3.26Å; R128-E264 IonicContact NH2-OE2 2.68Å; R128-E264 PolarHBondContact NH2-OE2 3.06Å
129	S	84.7	Confident	71.4	Confident	17 Å²	17	53.7 Å²	53.7	12%	0.119	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-89.4	156.8	160.6	60.1	0	0	0	0	110.8	Q120 P127 C131	Q120-S129 PolarHBondContact NE2-O 3.37Å; P127-S129 PolarHBondContact O-N 2.86Å; S129-C131 PolarHBondContact O-N 2.75Å
130	T	80.4	Confident	69.9	Low	79 Å²	79	56.7 Å²	56.7	49%	0.485	36%	0.364	S	S	.	.	P	Polyproline II helix	trans	-66.3	119.4	170.4	-58.6	0	0	0	0	109.4	P132	T130-P132 VanDerWaalsContact O-CD 3.29Å; T130-P132 WeakPolarHBondContact O-CD 3.5Å
131	C	77.1	Confident	68.9	Low	26 Å²	26	59.5 Å²	59.5	18%	0.176	38%	0.38	C	S	.	.	P	Polyproline II helix	trans	-61.4	123.1	170.4	-58.6	0	0	0	0	109	C99 Y118 S129	C99-C131 HydrophobicContact CB-CB 3.73Å; C99-C131 WeakPolarHBondContact CB-SG 3.34Å; C99-C131 VanDerWaalsContact SG-CA 3.51Å; C99-C131 WeakPolarHBondContact SG-CB 3.44Å; C99-C131 CovalentContact SG-SG 2.04Å; C99-C131 PolarHBondContact SG-SG 2.83Å; Y118-C131 PolarHBondContact OH-SG 3.37Å; S129-C131 PolarHBondContact O-N 2.75Å
132	P	64.6	Low	68.7	Low	70 Å²	70	58.8 Å²	58.8	46%	0.455	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-56.5	154.1	170.9	-24	35.6	0	0	0	110.6	T130 T134	T130-P132 VanDerWaalsContact O-CD 3.29Å; T130-P132 WeakPolarHBondContact O-CD 3.5Å; P132-T134 PolarHBondContact O-N 3.42Å; P132-T134 VanDerWaalsContact O-N 3.09Å
133	P	55	Low	69.4	Low	122 Å²	122	58.1 Å²	58.1	79%	0.792	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-58.2	117.2	-156.6	21.8	-34.1	0	0	0	112.7	S135	P133-S135 PolarHBondContact O-N 2.94Å
134	T	54.8	Low	70.4	Confident	18 Å²	18	55 Å²	55	11%	0.11	35%	0.353	C	S	.	.	P	Polyproline II helix	trans	-58.5	135	153.1	61.2	0	0	0	0	107.2	Q106 P132 R136	Q106-T134 PolarHBondContact OE1-OG1 3.31Å; P132-T134 PolarHBondContact O-N 3.42Å; P132-T134 VanDerWaalsContact O-N 3.09Å; T134-R136 PolarHBondContact O-N 3.37Å
135	S	47.8	Very low	71.4	Confident	68 Å²	68	49.7 Å²	49.7	48%	0.476	32%	0.321	S	S	.	.			trans	-77	83.4	-148.4	55.9	0	0	0	0	113.9	P133 I137	P133-S135 PolarHBondContact O-N 2.94Å; S135-I137 VanDerWaalsContact C-N 3.3Å; S135-I137 PolarHBondContact O-N 3.15Å
136	R	56.4	Low	72.1	Confident	106 Å²	106	50.8 Å²	50.8	40%	0.4	32%	0.321	S	S	.	.			trans	-70.2	81.6	174.6	-70.8	-177.4	172.1	-179.6	-1	111.8	T134 P138 D142 N391	T134-R136 PolarHBondContact O-N 3.37Å; R136-P138 VanDerWaalsContact O-CD 3.31Å; R136-P138 WeakPolarHBondContact O-CD 3.37Å; R136-D142 IonicContact CZ-OD2 2.71Å; R136-D142 IonicContact NE-OD2 2.72Å; R136-D142 PolarHBondContact NE-OD2 3.13Å; R136-D142 IonicContact NH2-OD2 2.75Å; R136-D142 PolarHBondContact NH2-OD2 3.23Å; R136-D142 VanDerWaalsContact NH2-OD2 3.09Å; R136-N391 VanDerWaalsContact CZ-O 3.24Å; R136-N391 PolarHBondContact NH1-O 2.81Å; R136-N391 VanDerWaalsContact NH1-O 3.14Å; R136-N391 PolarHBondContact NH2-O 2.63Å
137	I	55.4	Low	72.4	Confident	116 Å²	116	50.6 Å²	50.6	60%	0.595	32%	0.32	S	S	*	.			trans	-63.9	118.9	168	-60.8	171.7	0	0	0	107.7	S135 G139 A140	S135-I137 VanDerWaalsContact C-N 3.3Å; S135-I137 PolarHBondContact O-N 3.15Å; I137-G139 PolarHBondContact O-N 3.32Å; I137-G139 VanDerWaalsContact O-N 3.09Å; I137-A140 HydrophobicContact CB-CB 4.16Å; I137-A140 PolarHBondContact O-N 3.1Å
138	P	47.4	Very low	72.6	Confident	132 Å²	132	50.9 Å²	50.9	86%	0.857	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.7	116.6	-179.9	-24.4	35.4	0	0	0	111.1	R136	R136-P138 VanDerWaalsContact O-CD 3.31Å; R136-P138 WeakPolarHBondContact O-CD 3.37Å
139	G	53.8	Low	72.6	Confident	90 Å²	90	50.7 Å²	50.7	93%	0.928	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.1	1.5	-177.6	0	0	0	0	0	115.9	I137	I137-G139 PolarHBondContact O-N 3.32Å; I137-G139 VanDerWaalsContact O-N 3.09Å
140	A	61.9	Low	72.8	Confident	62 Å²	62	52.2 Å²	52.2	51%	0.512	33%	0.33	S	S	.	.	S	Bend	trans	-89.2	147.7	164.9	0	0	0	0	0	111.3	I137 D142	I137-A140 HydrophobicContact CB-CB 4.16Å; I137-A140 PolarHBondContact O-N 3.1Å; A140-D142 PolarHBondContact O-N 3.45Å
141	D	66.4	Low	73.2	Confident	78 Å²	78	49.5 Å²	49.5	42%	0.417	31%	0.313	S	S	.	.			trans	-76.4	112.2	169.1	-73.5	-47.7	0	0	0	109.4	Y143 K368	D141-Y143 HydrophobicContact CB-CD2 4.41Å; D141-Y143 HydrophobicContact CB-CE2 3.8Å; D141-Y143 VanDerWaalsContact O-CD2 3.23Å; D141-Y143 WeakPolarHBondContact O-CD2 3.29Å; D141-Y143 PolarHBondContact O-N 3.41Å; D141-K368 IonicContact OD1-NZ 3.7Å; D141-K368 PolarHBondContact OD1-NZ 3.17Å; D141-K368 WeakPolarHBondContact OD2-CD 3.45Å; D141-K368 IonicContact OD2-NZ 2.65Å; D141-K368 PolarHBondContact OD2-NZ 2.69Å
142	D	82.5	Confident	73.8	Confident	23 Å²	23	50.7 Å²	50.7	12%	0.123	32%	0.315	C	S	.	.			trans	-78.6	112.1	174.4	-175.1	-11.1	0	0	0	109.8	Q106 R136 A140 T144 L371	Q106-D142 VanDerWaalsContact NE2-CG 3.3Å; Q106-D142 PolarHBondContact NE2-OD1 3.03Å; R136-D142 IonicContact CZ-OD2 2.71Å; R136-D142 IonicContact NE-OD2 2.72Å; R136-D142 PolarHBondContact NE-OD2 3.13Å; R136-D142 IonicContact NH2-OD2 2.75Å; R136-D142 PolarHBondContact NH2-OD2 3.23Å; R136-D142 VanDerWaalsContact NH2-OD2 3.09Å; A140-D142 PolarHBondContact O-N 3.45Å; D142-T144 PolarHBondContact OD1-N 3.34Å; D142-L371 WeakPolarHBondContact O-CD2 3.41Å
143	Y	90.2	Very high	75.1	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.008	29%	0.294	C	S	.	.			trans	-86.8	-5.1	179.8	-75.9	-97	0	0	0	113.2	D110 H113 H116 D141 L371	D110-Y143 WeakPolarHBondContact OD1-CB 3.04Å; D110-Y143 PolarHBondContact OD1-N 2.98Å; H113-Y143 HydrophobicContact CB-CD1 4.34Å; H113-Y143 HydrophobicContact CB-CE1 3.61Å; H113-Y143 HydrophobicContact CB-CE2 4.2Å; H113-Y143 AromaticContact CD2-CE2 3.46Å; H113-Y143 VanDerWaalsContact CD2-CE2 3.46Å; H113-Y143 WeakPolarHBondContact CD2-CE2 3.48Å; H113-Y143 AromaticContact CD2-CZ 3.54Å; H113-Y143 PolarHBondContact CD2-OH 3.01Å; H113-Y143 AromaticContact CG-CE2 3.9Å; H113-Y143 AromaticContact CG-CZ 3.46Å; H113-Y143 VanDerWaalsContact CG-CZ 3.46Å; H113-Y143 PolarHBondContact ND1-OH 2.92Å; H116-Y143 PolarHBondContact N-O 3.47Å; D141-Y143 HydrophobicContact CB-CD2 4.41Å; D141-Y143 HydrophobicContact CB-CE2 3.8Å; D141-Y143 VanDerWaalsContact O-CD2 3.23Å; D141-Y143 WeakPolarHBondContact O-CD2 3.29Å; D141-Y143 PolarHBondContact O-N 3.41Å; Y143-L371 HydrophobicContact CD1-CB 4.39Å; Y143-L371 HydrophobicContact CD1-CD2 3.89Å; Y143-L371 HydrophobicContact CE1-CB 4.47Å; Y143-L371 HydrophobicContact CE1-CD2 4.11Å; Y143-L371 HydrophobicContact CG-CD2 4.15Å
144	T	90.7	Very high	76.8	Confident	3 Å²	3	42.5 Å²	42.5	2%	0.018	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	129.9	179.1	-61.6	0	0	0	0	111.4	Q106 H116 D142	Q106-T144 WeakPolarHBondContact CA-OG1 3.35Å; Q106-T144 HydrophobicContact CB-CG2 4.43Å; Q106-T144 WeakPolarHBondContact CB-OG1 3.42Å; Q106-T144 VanDerWaalsContact CD-CB 3.49Å; Q106-T144 VanDerWaalsContact CG-OG1 3.26Å; Q106-T144 WeakPolarHBondContact CG-OG1 3.46Å; Q106-T144 VanDerWaalsContact OE1-CB 3.31Å; H116-T144 WeakPolarHBondContact ND1-CG2 3.48Å; H116-T144 PolarHBondContact ND1-OG1 2.86Å; H116-T144 CarbonylContact O-C 3.52Å; H116-T144 VanDerWaalsContact O-CA 3.32Å; H116-T144 WeakPolarHBondContact O-CA 3.47Å; D142-T144 PolarHBondContact OD1-N 3.34Å
145	L	91.4	Very high	78.6	Confident	0 Å²	0	45 Å²	45	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	121.6	179.1	-57.4	178.7	0	0	0	109.2	H116 L117 Y118 V147 L371 V374 K375 F388 G392	H116-L145 PolarHBondContact O-N 2.87Å; L117-L145 HydrophobicContact CG-CB 4.49Å; L117-L145 HydrophobicContact CG-CD1 4.36Å; Y118-L145 PolarHBondContact N-O 2.7Å; L145-V147 PolarHBondContact O-N 3.05Å; L145-L371 HydrophobicContact CD1-CD1 4.12Å; L145-L371 HydrophobicContact CD2-CD1 4Å; L145-L371 HydrophobicContact CG-CD1 4.06Å; L145-V374 HydrophobicContact CD1-CB 4.05Å; L145-V374 HydrophobicContact CD1-CG1 3.43Å; L145-V374 VanDerWaalsContact CD1-CG1 3.43Å; L145-K375 HydrophobicContact CD2-CD 4.26Å; L145-K375 HydrophobicContact CD2-CG 3.88Å; L145-F388 HydrophobicContact CB-CD1 4.25Å; L145-F388 HydrophobicContact CB-CE1 3.82Å; L145-F388 HydrophobicContact CB-CE2 4.1Å; L145-F388 HydrophobicContact CB-CZ 3.74Å; L145-F388 HydrophobicContact CD1-CD2 3.94Å; L145-F388 HydrophobicContact CD1-CE2 3.72Å; L145-F388 HydrophobicContact CD1-CZ 4.22Å; L145-F388 HydrophobicContact CD2-CG 4.46Å; L145-F388 HydrophobicContact CG-CE2 4.44Å; L145-G392 CarbonylContact C-O 3.49Å; L145-G392 WeakPolarHBondContact CA-O 3.46Å
146	M	91.1	Very high	80.7	Confident	45 Å²	45	41.8 Å²	41.8	22%	0.222	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	97.4	178.8	-64.5	-176.5	178.4	0	0	109.4	Y118 G392 T393 N394	Y118-M146 HydrophobicContact CD1-CG 4.44Å; M146-G392 PolarHBondContact N-O 3.02Å; M146-T393 HydrophobicContact CB-CG2 4.3Å; M146-T393 HydrophobicContact SD-CG2 4.05Å; M146-N394 PolarHBondContact O-N 2.98Å; M146-N394 VanDerWaalsContact O-N 3.16Å
147	V	92.6	Very high	82.4	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	23%	0.23	C	C	.	.			trans	-67.1	-43.1	-175.7	-179.7	0	0	0	0	111.3	L117 Y118 I119 L145 Y327 T331 L386 F388 N394	L117-V147 HydrophobicContact CB-CG2 3.86Å; Y118-V147 WeakPolarHBondContact O-CB 3.46Å; Y118-V147 PolarHBondContact O-N 3.39Å; I119-V147 HydrophobicContact CD1-CG1 4.45Å; I119-V147 HydrophobicContact CG1-CB 3.74Å; I119-V147 HydrophobicContact CG1-CG1 3.97Å; I119-V147 HydrophobicContact CG1-CG2 3.97Å; L145-V147 PolarHBondContact O-N 3.05Å; V147-Y327 HydrophobicContact CG1-CD1 3.79Å; V147-Y327 HydrophobicContact CG1-CG 4.19Å; V147-Y327 WeakPolarHBondContact O-CE1 3.48Å; V147-T331 WeakPolarHBondContact CG1-OG1 3.39Å; V147-L386 HydrophobicContact CG1-CD1 4.09Å; V147-L386 HydrophobicContact CG1-CD2 4.22Å; V147-F388 HydrophobicContact CG2-CZ 4.22Å; V147-N394 WeakPolarHBondContact O-CB 3.29Å; V147-N394 PolarHBondContact O-ND2 3.1Å
148	R	91	Very high	84.2	Confident	6 Å²	6	31.8 Å²	31.8	2%	0.023	20%	0.204	C	C	.	.	S	Bend	trans	-73.6	136.3	166.9	-76.1	-174	85.3	146.9	4.5	109	I119 Q120 E264 E265 Y327	I119-R148 HydrophobicContact CG2-CG 4.24Å; Q120-R148 WeakPolarHBondContact O-CD 3.42Å; Q120-R148 PolarHBondContact O-NH1 2.82Å; R148-E264 IonicContact CZ-OE2 2.71Å; R148-E264 IonicContact NE-OE2 2.85Å; R148-E264 IonicContact NH2-OE2 2.77Å; R148-E264 PolarHBondContact NH2-OE2 3.48Å; R148-E265 IonicContact CZ-OE1 2.7Å; R148-E265 IonicContact NH1-OE1 3.86Å; R148-E265 PolarHBondContact NH1-OE1 2.74Å; R148-E265 IonicContact NH2-OE1 3.41Å; R148-E265 PolarHBondContact NH2-OE1 2.85Å; R148-Y327 HydrophobicContact CG-CD2 3.62Å; R148-Y327 HydrophobicContact CG-CE2 3.84Å; R148-Y327 HydrophobicContact CG-CG 4.12Å
149	P	90	Very high	86.3	Confident	1 Å²	1	29 Å²	29	1%	0.006	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-57.3	160.4	171.6	-25.4	34.3	0	0	0	113.1	R128 Y327 N394 N396 I397	R128-P149 PolarHBondContact NH1-O 3.43Å; R128-P149 PolarHBondContact NH2-O 3.26Å; P149-Y327 WeakPolarHBondContact CD-OH 3Å; P149-N394 WeakPolarHBondContact CA-O 3.4Å; P149-N394 WeakPolarHBondContact CB-O 3.35Å; P149-N394 HydrophobicContact CG-CB 4.23Å; P149-N396 WeakPolarHBondContact CG-O 3.19Å; P149-I397 HydrophobicContact CB-CB 3.78Å; P149-I397 HydrophobicContact CB-CD1 4.16Å; P149-I397 HydrophobicContact CB-CG1 4.49Å; P149-I397 HydrophobicContact CB-CG2 4.19Å; P149-I397 HydrophobicContact CG-CB 3.9Å
150	P	88.1	Confident	88.1	Confident	49 Å²	49	24.7 Å²	24.7	32%	0.318	14%	0.136	S	C	.	.	P	Polyproline II helix	trans	-52.1	158.7	170.4	-25.4	34.4	0	0	0	113.2	F152 N394	P150-F152 HydrophobicContact CB-CD2 4.32Å; P150-F152 HydrophobicContact CB-CE2 3.82Å; P150-F152 HydrophobicContact CB-CZ 4.31Å; P150-F152 HydrophobicContact CG-CE2 4.2Å; P150-F152 VanDerWaalsContact O-CD2 3.3Å; P150-F152 WeakPolarHBondContact O-CD2 3.13Å; P150-F152 PolarHBondContact O-N 2.89Å; P150-N394 WeakPolarHBondContact CD-O 3.1Å
151	V	89.1	Confident	89.5	Confident	23 Å²	23	21.8 Å²	21.8	14%	0.139	11%	0.111	C	C	.	.			trans	-81.1	111	176.8	177.6	0	0	0	0	109	R128 L153	R128-V151 HydrophobicContact CB-CG2 3.68Å; R128-V151 VanDerWaalsContact O-CG1 3.31Å; R128-V151 WeakPolarHBondContact O-CG1 3.31Å; V151-L153 HydrophobicContact CG1-CB 4.18Å; V151-L153 HydrophobicContact CG1-CD1 4.14Å; V151-L153 HydrophobicContact CG1-CG 3.9Å
152	F	90.5	Very high	90.6	Very high	51 Å²	51	20.6 Å²	20.6	22%	0.224	11%	0.109	C	C	.	.			trans	-101.8	7.9	178.3	-73.9	-83.5	0	0	0	113.8	P150 N154 E155 V156 I397 F399 W420 P422	P150-F152 HydrophobicContact CB-CD2 4.32Å; P150-F152 HydrophobicContact CB-CE2 3.82Å; P150-F152 HydrophobicContact CB-CZ 4.31Å; P150-F152 HydrophobicContact CG-CE2 4.2Å; P150-F152 VanDerWaalsContact O-CD2 3.3Å; P150-F152 WeakPolarHBondContact O-CD2 3.13Å; P150-F152 PolarHBondContact O-N 2.89Å; F152-N154 PolarHBondContact O-N 3.19Å; F152-N154 VanDerWaalsContact O-N 3.12Å; F152-E155 HydrophobicContact CD1-CG 4.44Å; F152-E155 PolarHBondContact O-N 2.71Å; F152-E155 VanDerWaalsContact O-N 3.08Å; F152-V156 WeakPolarHBondContact O-CG2 3.42Å; F152-V156 PolarHBondContact O-N 3.06Å; F152-V156 VanDerWaalsContact O-N 3.13Å; F152-I397 HydrophobicContact CD2-CG2 3.68Å; F152-I397 HydrophobicContact CE2-CG2 3.84Å; F152-F399 HydrophobicContact CB-CE2 4.25Å; F152-W420 HydrophobicContact CB-CH2 3.81Å; F152-W420 HydrophobicContact CB-CZ3 3.87Å; F152-W420 AromaticContact CD1-CH2 3.79Å; F152-W420 HydrophobicContact CD1-CH2 3.79Å; F152-W420 HydrophobicContact CD1-CZ3 4.42Å; F152-W420 AromaticContact CG-CH2 3.96Å; F152-W420 HydrophobicContact CG-CH2 3.96Å; F152-W420 HydrophobicContact CG-CZ3 4.17Å; F152-P422 HydrophobicContact CD1-CG 4.31Å; F152-P422 HydrophobicContact CD2-CG 4.13Å; F152-P422 HydrophobicContact CE1-CB 3.98Å; F152-P422 HydrophobicContact CE1-CG 4.04Å; F152-P422 HydrophobicContact CE2-CG 3.83Å; F152-P422 HydrophobicContact CG-CG 4.34Å; F152-P422 HydrophobicContact CZ-CB 3.97Å; F152-P422 HydrophobicContact CZ-CG 3.78Å
153	L	90.8	Very high	90.8	Very high	2 Å²	2	23 Å²	23	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-54.1	-39	-171.7	-61.1	-179.7	0	0	0	112.8	P127 V151 V156 I157 F234 I262 E264 F399	P127-L153 HydrophobicContact CB-CD1 3.79Å; V151-L153 HydrophobicContact CG1-CB 4.18Å; V151-L153 HydrophobicContact CG1-CD1 4.14Å; V151-L153 HydrophobicContact CG1-CG 3.9Å; L153-V156 PolarHBondContact O-N 2.93Å; L153-I157 VanDerWaalsContact O-CG2 3.32Å; L153-I157 WeakPolarHBondContact O-CG2 3.49Å; L153-I157 PolarHBondContact O-N 3.39Å; L153-F234 HydrophobicContact CB-CE1 4.31Å; L153-I262 HydrophobicContact CB-CD1 3.98Å; L153-I262 HydrophobicContact CD2-CD1 4.02Å; L153-I262 HydrophobicContact CD2-CG1 3.91Å; L153-I262 WeakPolarHBondContact O-CD1 3.27Å; L153-E264 HydrophobicContact CD2-CG 4.05Å; L153-F399 HydrophobicContact CD2-CE1 3.59Å; L153-F399 HydrophobicContact CD2-CZ 3.76Å
154	N	91.3	Very high	90.6	Very high	18 Å²	18	23.7 Å²	23.7	10%	0.096	12%	0.123	C	C	.	.	H	α-helix	trans	-61.2	-46.1	178.1	-65.2	-4.8	0	0	0	112.9	F152 V156 I157 M158 G181 F185	F152-N154 PolarHBondContact O-N 3.19Å; F152-N154 VanDerWaalsContact O-N 3.12Å; N154-V156 VanDerWaalsContact C-N 3.35Å; N154-I157 WeakPolarHBondContact O-CG2 3.43Å; N154-I157 PolarHBondContact O-N 3.13Å; N154-M158 WeakPolarHBondContact O-CB 3.2Å; N154-M158 WeakPolarHBondContact O-CG 3.36Å; N154-M158 PolarHBondContact O-N 3.02Å; N154-G181 PolarHBondContact ND2-O 3.13Å; N154-G181 PolarHBondContact OD1-O 3.25Å; N154-F185 HydrophobicContact CB-CB 4.09Å
155	E	91.8	Very high	90.2	Very high	71 Å²	71	27.7 Å²	27.7	33%	0.332	15%	0.15	S	C	.	.	H	α-helix	trans	-64	-42.3	177.1	-60.9	-67.7	178.1	0	0	110.9	F152 M158 Q159 R188 W420	F152-E155 HydrophobicContact CD1-CG 4.44Å; F152-E155 PolarHBondContact O-N 2.71Å; F152-E155 VanDerWaalsContact O-N 3.08Å; E155-M158 PolarHBondContact O-N 2.96Å; E155-Q159 PolarHBondContact O-N 2.96Å; E155-R188 IonicContact OE1-CZ 3.59Å; E155-R188 VanDerWaalsContact OE1-CZ 3.23Å; E155-R188 IonicContact OE1-NH1 3.54Å; E155-R188 PolarHBondContact OE1-NH1 2.89Å; E155-R188 IonicContact OE1-NH2 3.88Å; E155-R188 PolarHBondContact OE1-NH2 3.39Å; E155-R188 IonicContact OE2-CZ 2.73Å; E155-R188 IonicContact OE2-NH1 2.74Å; E155-R188 PolarHBondContact OE2-NH1 2.78Å; E155-R188 IonicContact OE2-NH2 3.2Å; E155-W420 HydrophobicContact CB-CH2 4.28Å; E155-W420 HydrophobicContact CB-CZ2 3.87Å
156	V	92.8	Very high	90	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-65.9	-45.9	178.9	-175.2	0	0	0	0	111	F152 L153 N154 Q159 V160 V285 F399 W420	F152-V156 WeakPolarHBondContact O-CG2 3.42Å; F152-V156 PolarHBondContact O-N 3.06Å; F152-V156 VanDerWaalsContact O-N 3.13Å; L153-V156 PolarHBondContact O-N 2.93Å; N154-V156 VanDerWaalsContact C-N 3.35Å; V156-Q159 PolarHBondContact O-N 2.86Å; V156-V160 HydrophobicContact CG1-CG2 4.49Å; V156-V160 WeakPolarHBondContact O-CG2 3.37Å; V156-V160 PolarHBondContact O-N 2.93Å; V156-V285 HydrophobicContact CG1-CG1 3.56Å; V156-F399 HydrophobicContact CG2-CD2 3.89Å; V156-F399 HydrophobicContact CG2-CE2 4.1Å; V156-F399 HydrophobicContact CG2-CG 4.21Å; V156-W420 HydrophobicContact CG2-CD2 3.66Å; V156-W420 HydrophobicContact CG2-CE3 3.56Å; V156-W420 HydrophobicContact CG2-CG 4.24Å; V156-W420 HydrophobicContact CG2-CH2 4.15Å; V156-W420 HydrophobicContact CG2-CZ2 4.22Å; V156-W420 HydrophobicContact CG2-CZ3 3.82Å
157	I	92.7	Very high	89.6	Confident	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.166	C	C	.	.	H	α-helix	trans	-69.5	-36.4	178.8	-169.1	62.9	0	0	0	111.9	L153 N154 Q159 V160 V161 F185 V232 F234 I260 I262	L153-I157 VanDerWaalsContact O-CG2 3.32Å; L153-I157 WeakPolarHBondContact O-CG2 3.49Å; L153-I157 PolarHBondContact O-N 3.39Å; N154-I157 WeakPolarHBondContact O-CG2 3.43Å; N154-I157 PolarHBondContact O-N 3.13Å; I157-Q159 PolarHBondContact O-N 3.09Å; I157-V160 PolarHBondContact O-N 3.44Å; I157-V161 HydrophobicContact CD1-CG2 3.86Å; I157-V161 HydrophobicContact CG1-CG2 3.91Å; I157-V161 VanDerWaalsContact O-CB 3.29Å; I157-V161 WeakPolarHBondContact O-CB 3.4Å; I157-V161 VanDerWaalsContact O-CG2 3.23Å; I157-V161 WeakPolarHBondContact O-CG2 3.43Å; I157-V161 PolarHBondContact O-N 3.34Å; I157-F185 HydrophobicContact CB-CE2 4.21Å; I157-F185 HydrophobicContact CG1-CE2 3.95Å; I157-F185 HydrophobicContact CG1-CZ 4.2Å; I157-F185 HydrophobicContact CG2-CD2 3.32Å; I157-F185 HydrophobicContact CG2-CE2 3.42Å; I157-F185 VanDerWaalsContact CG2-CE2 3.42Å; I157-F185 HydrophobicContact CG2-CG 4.04Å; I157-F185 HydrophobicContact CG2-CZ 4.2Å; I157-V232 HydrophobicContact CD1-CG1 3.74Å; I157-V232 HydrophobicContact CD1-CG2 4.22Å; I157-V232 HydrophobicContact CG1-CG1 3.99Å; I157-F234 HydrophobicContact CB-CZ 4.41Å; I157-F234 HydrophobicContact CG1-CE2 4.48Å; I157-F234 HydrophobicContact CG2-CE2 4.42Å; I157-F234 HydrophobicContact CG2-CZ 3.89Å; I157-I260 HydrophobicContact CD1-CB 4.48Å; I157-I260 HydrophobicContact CD1-CD1 4.22Å; I157-I260 HydrophobicContact CD1-CG2 3.78Å; I157-I262 HydrophobicContact CB-CD1 3.89Å
158	M	92.2	Very high	89.4	Confident	12 Å²	12	36.7 Å²	36.7	6%	0.059	19%	0.19	C	C	.	.	H	α-helix	trans	-55.6	-51.8	171.9	-81.4	-52.7	-56.4	0	0	110.4	N154 E155 V160 V161 S162 F185 R188 T189 M194	N154-M158 WeakPolarHBondContact O-CB 3.2Å; N154-M158 WeakPolarHBondContact O-CG 3.36Å; N154-M158 PolarHBondContact O-N 3.02Å; E155-M158 PolarHBondContact O-N 2.96Å; M158-V160 PolarHBondContact O-N 2.86Å; M158-V161 PolarHBondContact O-N 3.11Å; M158-S162 WeakPolarHBondContact O-CB 3.27Å; M158-S162 PolarHBondContact O-N 2.97Å; M158-S162 PolarHBondContact O-OG 3.49Å; M158-F185 HydrophobicContact CG-CD2 3.82Å; M158-F185 HydrophobicContact CG-CE2 4.27Å; M158-F185 HydrophobicContact SD-CD2 3.49Å; M158-F185 WeakPolarHBondContact SD-CD2 3.49Å; M158-F185 HydrophobicContact SD-CE2 3.63Å; M158-F185 HydrophobicContact SD-CG 4.5Å; M158-R188 HydrophobicContact CE-CB 4.04Å; M158-R188 HydrophobicContact CG-CB 4.4Å; M158-R188 HydrophobicContact SD-CB 3.85Å; M158-T189 HydrophobicContact CE-CG2 4.34Å; M158-T189 HydrophobicContact SD-CG2 3.65Å; M158-M194 HydrophobicContact CE-CE 4.08Å
159	Q	91.4	Very high	89.4	Confident	72 Å²	72	36.7 Å²	36.7	34%	0.336	19%	0.19	S	C	.	.	H	α-helix	trans	-60.1	-46.4	179.1	-170.4	68.5	36.4	0	0	111.7	E155 V156 I157 V161 S162 E163 L426	E155-Q159 PolarHBondContact O-N 2.96Å; V156-Q159 PolarHBondContact O-N 2.86Å; I157-Q159 PolarHBondContact O-N 3.09Å; Q159-V161 PolarHBondContact O-N 3.09Å; Q159-S162 PolarHBondContact O-N 3.36Å; Q159-E163 HydrophobicContact CG-CG 4.31Å; Q159-E163 PolarHBondContact NE2-OE1 3.14Å; Q159-E163 WeakPolarHBondContact O-CB 3.37Å; Q159-E163 WeakPolarHBondContact O-CG 3.3Å; Q159-E163 PolarHBondContact O-N 2.99Å; Q159-L426 HydrophobicContact CG-CB 3.97Å; Q159-L426 HydrophobicContact CG-CD2 4.12Å
160	V	91.9	Very high	89.6	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.006	19%	0.191	C	C	.	.	H	α-helix	trans	-62.4	-42.8	179.7	173	0	0	0	0	112.3	V156 I157 M158 Y164 I260 V285 I401 L430	V156-V160 HydrophobicContact CG1-CG2 4.49Å; V156-V160 WeakPolarHBondContact O-CG2 3.37Å; V156-V160 PolarHBondContact O-N 2.93Å; I157-V160 PolarHBondContact O-N 3.44Å; M158-V160 PolarHBondContact O-N 2.86Å; V160-Y164 HydrophobicContact CG1-CD2 3.76Å; V160-Y164 HydrophobicContact CG1-CE2 3.66Å; V160-Y164 WeakPolarHBondContact O-CD2 3.35Å; V160-Y164 PolarHBondContact O-N 3.47Å; V160-Y164 VanDerWaalsContact O-N 3.16Å; V160-I260 HydrophobicContact CG1-CD1 3.82Å; V160-I260 HydrophobicContact CG1-CG1 4.45Å; V160-I260 HydrophobicContact CG1-CG2 4.46Å; V160-V285 HydrophobicContact CG2-CG2 4.39Å; V160-I401 HydrophobicContact CG2-CD1 3.78Å; V160-I401 HydrophobicContact CG2-CG1 4.49Å; V160-L430 HydrophobicContact CB-CD1 4.15Å; V160-L430 HydrophobicContact CG1-CD1 3.98Å; V160-L430 HydrophobicContact CG2-CD1 3.89Å
161	V	91.5	Very high	89.9	Confident	0 Å²	0	34.5 Å²	34.5	0%	0	18%	0.176	C	C	.	.	H	α-helix	trans	-67.4	-40.2	179.1	168.2	0	0	0	0	111	I157 M158 Q159 S165 W166 F169 M194 I260	I157-V161 HydrophobicContact CD1-CG2 3.86Å; I157-V161 HydrophobicContact CG1-CG2 3.91Å; I157-V161 VanDerWaalsContact O-CB 3.29Å; I157-V161 WeakPolarHBondContact O-CB 3.4Å; I157-V161 VanDerWaalsContact O-CG2 3.23Å; I157-V161 WeakPolarHBondContact O-CG2 3.43Å; I157-V161 PolarHBondContact O-N 3.34Å; M158-V161 PolarHBondContact O-N 3.11Å; Q159-V161 PolarHBondContact O-N 3.09Å; V161-S165 PolarHBondContact O-N 2.78Å; V161-S165 VanDerWaalsContact O-N 3.15Å; V161-W166 HydrophobicContact CG1-CB 3.93Å; V161-W166 PolarHBondContact O-N 3.33Å; V161-W166 VanDerWaalsContact O-N 3.09Å; V161-F169 HydrophobicContact CG1-CD1 4.46Å; V161-F169 HydrophobicContact CG1-CE1 3.62Å; V161-F169 HydrophobicContact CG1-CZ 3.95Å; V161-F169 HydrophobicContact CG2-CZ 4.42Å; V161-M194 HydrophobicContact CG1-CE 4.19Å; V161-M194 HydrophobicContact CG1-SD 3.76Å; V161-I260 HydrophobicContact CG2-CD1 4.4Å
162	S	88.4	Confident	90.1	Very high	53 Å²	53	33.4 Å²	33.4	37%	0.371	17%	0.169	S	C	.	.	H	α-helix	trans	-67.8	-43.5	175.9	-62.6	0	0	0	0	113	M158 Q159 Y164 S165	M158-S162 WeakPolarHBondContact O-CB 3.27Å; M158-S162 PolarHBondContact O-N 2.97Å; M158-S162 PolarHBondContact O-OG 3.49Å; Q159-S162 PolarHBondContact O-N 3.36Å; S162-Y164 VanDerWaalsContact C-N 3.31Å; S162-Y164 PolarHBondContact O-N 3.36Å; S162-S165 WeakPolarHBondContact O-CA 3.44Å; S162-S165 PolarHBondContact O-N 3.08Å
163	E	86.9	Confident	90.2	Very high	73 Å²	73	32.7 Å²	32.7	34%	0.341	17%	0.165	S	C	.	.	H	α-helix	trans	-61.6	-36.7	175.9	-73.6	-75.9	153	0	0	112.7	Q159 S165 L426 L430	Q159-E163 HydrophobicContact CG-CG 4.31Å; Q159-E163 PolarHBondContact NE2-OE1 3.14Å; Q159-E163 WeakPolarHBondContact O-CB 3.37Å; Q159-E163 WeakPolarHBondContact O-CG 3.3Å; Q159-E163 PolarHBondContact O-N 2.99Å; E163-S165 PolarHBondContact O-N 3.14Å; E163-L426 HydrophobicContact CG-CD2 3.6Å; E163-L430 HydrophobicContact CB-CD1 3.95Å; E163-L430 HydrophobicContact CB-CG 4.41Å; E163-L430 HydrophobicContact CG-CD1 4.31Å
164	Y	85.6	Confident	90.1	Very high	18 Å²	18	32.9 Å²	32.9	7%	0.071	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-1.2	172.4	-69	-48.9	0	0	0	113.3	V160 S162 W166 H258 I260 R281 T283 L430	V160-Y164 HydrophobicContact CG1-CD2 3.76Å; V160-Y164 HydrophobicContact CG1-CE2 3.66Å; V160-Y164 WeakPolarHBondContact O-CD2 3.35Å; V160-Y164 PolarHBondContact O-N 3.47Å; V160-Y164 VanDerWaalsContact O-N 3.16Å; S162-Y164 VanDerWaalsContact C-N 3.31Å; S162-Y164 PolarHBondContact O-N 3.36Å; Y164-W166 VanDerWaalsContact CB-CD1 3.42Å; Y164-W166 PolarHBondContact O-N 3.09Å; Y164-H258 AromaticContact CD1-CE1 3.81Å; Y164-H258 AromaticContact CD2-CE1 3.62Å; Y164-H258 AromaticContact CE1-CE1 3.64Å; Y164-H258 AromaticContact CE2-CE1 3.43Å; Y164-H258 VanDerWaalsContact CE2-CE1 3.43Å; Y164-H258 WeakPolarHBondContact CE2-CE1 3.32Å; Y164-H258 AromaticContact CE2-NE2 3.55Å; Y164-H258 AromaticContact CG-CE1 3.8Å; Y164-H258 AromaticContact CZ-CE1 3.43Å; Y164-H258 VanDerWaalsContact CZ-CE1 3.43Å; Y164-H258 AromaticContact CZ-NE2 3.63Å; Y164-I260 HydrophobicContact CD2-CD1 4.27Å; Y164-I260 HydrophobicContact CE2-CD1 4.46Å; Y164-R281 VanDerWaalsContact CE1-NH2 3.33Å; Y164-R281 PolarHBondContact OH-NH2 3.22Å; Y164-T283 HydrophobicContact CE2-CG2 4.24Å; Y164-T283 PolarHBondContact OH-OG1 2.84Å; Y164-L430 HydrophobicContact CD1-CB 4.27Å; Y164-L430 HydrophobicContact CE1-CB 3.64Å; Y164-L430 WeakPolarHBondContact CE1-O 3.43Å; Y164-L430 HydrophobicContact CE2-CB 4.48Å; Y164-L430 HydrophobicContact CE2-CD1 4.26Å
165	S	83.9	Confident	89.9	Confident	86 Å²	86	33.2 Å²	33.2	60%	0.601	17%	0.17	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.3	39.3	-178.1	59	0	0	0	0	113.8	V161 S162 E163	V161-S165 PolarHBondContact O-N 2.78Å; V161-S165 VanDerWaalsContact O-N 3.15Å; S162-S165 WeakPolarHBondContact O-CA 3.44Å; S162-S165 PolarHBondContact O-N 3.08Å; E163-S165 PolarHBondContact O-N 3.14Å
166	W	87.1	Confident	89.5	Confident	3 Å²	3	34.1 Å²	34.1	1%	0.011	18%	0.177	C	C	.	.			trans	-70.7	130.7	177.1	-76.9	22.8	0	0	0	110.9	V161 Y164 F169 R230 V232 H258 I260	V161-W166 HydrophobicContact CG1-CB 3.93Å; V161-W166 PolarHBondContact O-N 3.33Å; V161-W166 VanDerWaalsContact O-N 3.09Å; Y164-W166 VanDerWaalsContact CB-CD1 3.42Å; Y164-W166 PolarHBondContact O-N 3.09Å; W166-F169 HydrophobicContact CB-CD1 4.12Å; W166-F169 HydrophobicContact CB-CE1 4.48Å; W166-F169 HydrophobicContact CE3-CB 3.64Å; W166-F169 AromaticContact CE3-CD1 3.8Å; W166-F169 HydrophobicContact CE3-CD1 3.8Å; W166-F169 HydrophobicContact CE3-CD2 4.42Å; W166-F169 AromaticContact CE3-CG 3.72Å; W166-F169 HydrophobicContact CE3-CG 3.72Å; W166-F169 HydrophobicContact CZ3-CB 3.85Å; W166-F169 HydrophobicContact CZ3-CG 4.16Å; W166-R230 HydrophobicContact CD2-CB 4.27Å; W166-R230 HydrophobicContact CD2-CG 4.41Å; W166-R230 HydrophobicContact CE3-CB 4.1Å; W166-R230 HydrophobicContact CH2-CB 3.99Å; W166-R230 HydrophobicContact CZ2-CB 4.17Å; W166-R230 HydrophobicContact CZ2-CG 4.21Å; W166-R230 HydrophobicContact CZ3-CB 3.95Å; W166-V232 HydrophobicContact CZ3-CG2 3.88Å; W166-H258 WeakPolarHBondContact CH2-O 3.45Å; W166-H258 HydrophobicContact CZ2-CB 4.17Å; W166-H258 AromaticContact CZ2-CE1 3.98Å; W166-H258 AromaticContact CZ2-CG 3.78Å; W166-H258 AromaticContact CZ2-ND1 3.73Å; W166-H258 VanDerWaalsContact CZ2-O 3.31Å; W166-H258 WeakPolarHBondContact CZ2-O 3.3Å; W166-H258 AromaticContact NE1-ND1 3.82Å; W166-I260 HydrophobicContact CE3-CD1 4.27Å; W166-I260 HydrophobicContact CH2-CD1 3.51Å; W166-I260 HydrophobicContact CH2-CG1 3.79Å; W166-I260 HydrophobicContact CZ2-CD1 3.87Å; W166-I260 HydrophobicContact CZ2-CG1 4.2Å; W166-I260 HydrophobicContact CZ3-CD1 3.73Å; W166-I260 HydrophobicContact CZ3-CG1 4.4Å
167	Q	82.8	Confident	89.2	Confident	117 Å²	117	34.9 Å²	34.9	55%	0.547	18%	0.18	S	C	.	.			trans	-112.3	-18.2	177.8	-63.8	-62.7	-54.1	0	0	113.2	M194 D195	Q167-M194 WeakPolarHBondContact O-CA 3.47Å; Q167-D195 PolarHBondContact O-N 3.49Å
168	K	87.6	Confident	88.8	Confident	115 Å²	115	37.1 Å²	37.1	50%	0.5	19%	0.193	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	131.7	179.1	179.6	169.9	-177.9	133.2	0	110.3	D195	K168-D195 VanDerWaalsContact CA-O 3.3Å; K168-D195 WeakPolarHBondContact CA-O 3.43Å; K168-D195 HydrophobicContact CB-CB 4.12Å; K168-D195 HydrophobicContact CD-CB 4.34Å; K168-D195 VanDerWaalsContact CD-OD2 3.28Å; K168-D195 WeakPolarHBondContact CD-OD2 3.21Å; K168-D195 WeakPolarHBondContact CE-OD2 3.16Å; K168-D195 HydrophobicContact CG-CB 4Å; K168-D195 IonicContact NZ-OD2 2.67Å; K168-D195 PolarHBondContact NZ-OD2 3.34Å
169	F	91.6	Very high	88.4	Confident	5 Å²	5	39.9 Å²	39.9	2%	0.022	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	166.9	178.7	55.7	-87.6	0	0	0	112.4	V161 W166 F185 T189 M194 D195 V196 S197 R230 V232	V161-F169 HydrophobicContact CG1-CD1 4.46Å; V161-F169 HydrophobicContact CG1-CE1 3.62Å; V161-F169 HydrophobicContact CG1-CZ 3.95Å; V161-F169 HydrophobicContact CG2-CZ 4.42Å; W166-F169 HydrophobicContact CB-CD1 4.12Å; W166-F169 HydrophobicContact CB-CE1 4.48Å; W166-F169 HydrophobicContact CE3-CB 3.64Å; W166-F169 AromaticContact CE3-CD1 3.8Å; W166-F169 HydrophobicContact CE3-CD1 3.8Å; W166-F169 HydrophobicContact CE3-CD2 4.42Å; W166-F169 AromaticContact CE3-CG 3.72Å; W166-F169 HydrophobicContact CE3-CG 3.72Å; W166-F169 HydrophobicContact CZ3-CB 3.85Å; W166-F169 HydrophobicContact CZ3-CG 4.16Å; F169-F185 HydrophobicContact CE2-CE1 4.17Å; F169-F185 AromaticContact CE2-CZ 3.93Å; F169-F185 HydrophobicContact CE2-CZ 3.93Å; F169-F185 HydrophobicContact CZ-CE1 4.3Å; F169-F185 AromaticContact CZ-CZ 3.79Å; F169-F185 HydrophobicContact CZ-CZ 3.79Å; F169-T189 HydrophobicContact CZ-CG2 4.28Å; F169-M194 HydrophobicContact CE1-SD 3.83Å; F169-M194 HydrophobicContact CZ-SD 4.35Å; F169-D195 PolarHBondContact N-O 2.61Å; F169-D195 VanDerWaalsContact N-O 3.13Å; F169-V196 HydrophobicContact CD2-CG1 4.23Å; F169-V196 HydrophobicContact CE1-CG2 3.89Å; F169-V196 HydrophobicContact CE2-CB 4.41Å; F169-V196 HydrophobicContact CE2-CG1 3.74Å; F169-V196 HydrophobicContact CE2-CG2 3.88Å; F169-V196 HydrophobicContact CZ-CB 4.48Å; F169-V196 HydrophobicContact CZ-CG1 4.23Å; F169-V196 HydrophobicContact CZ-CG2 3.49Å; F169-V196 VanDerWaalsContact CZ-CG2 3.49Å; F169-S197 PolarHBondContact O-N 2.99Å; F169-S197 VanDerWaalsContact O-N 3.08Å; F169-R230 WeakPolarHBondContact CA-O 3.47Å; F169-R230 HydrophobicContact CB-CB 3.87Å; F169-R230 WeakPolarHBondContact CB-O 3.35Å; F169-V232 HydrophobicContact CD2-CG2 3.82Å; F169-V232 HydrophobicContact CE2-CG2 4Å
170	V	93.1	Very high	88	Confident	4 Å²	4	43.1 Å²	43.1	2%	0.024	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	136.6	172.4	-172	0	0	0	0	110.1	F172 S197 Q199 R230 A231 V232	V170-F172 HydrophobicContact CB-CD2 4.36Å; V170-F172 HydrophobicContact CB-CE2 3.8Å; V170-F172 HydrophobicContact CB-CZ 4.36Å; V170-F172 HydrophobicContact CG1-CD2 3.94Å; V170-F172 HydrophobicContact CG1-CE1 4.34Å; V170-F172 HydrophobicContact CG1-CE2 3.48Å; V170-F172 VanDerWaalsContact CG1-CE2 3.48Å; V170-F172 HydrophobicContact CG1-CZ 3.69Å; V170-S197 CarbonylContact C-O 3.53Å; V170-S197 WeakPolarHBondContact CA-O 3.16Å; V170-Q199 HydrophobicContact CG1-CB 4.22Å; V170-R230 PolarHBondContact N-O 2.72Å; V170-A231 CarbonylContact O-C 3.6Å; V170-A231 VanDerWaalsContact O-CA 3.26Å; V170-A231 WeakPolarHBondContact O-CA 3.49Å; V170-V232 PolarHBondContact O-N 2.95Å
171	L	94.6	Very high	87.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	112.1	170.3	-167.5	160.2	0	0	0	109.3	Y173 I182 F185 V196 S197 L198 Q199 V232 F234	L171-Y173 HydrophobicContact CD2-CD1 4.36Å; L171-I182 HydrophobicContact CD1-CD1 3.86Å; L171-I182 HydrophobicContact CD2-CD1 3.71Å; L171-I182 HydrophobicContact CG-CD1 4.47Å; L171-F185 HydrophobicContact CD1-CD1 3.96Å; L171-F185 HydrophobicContact CD1-CE1 3.65Å; L171-V196 HydrophobicContact CB-CG1 4.36Å; L171-S197 PolarHBondContact N-O 3.35Å; L171-L198 HydrophobicContact CB-CD2 4.21Å; L171-L198 HydrophobicContact CD2-CD2 4.05Å; L171-L198 HydrophobicContact CG-CD2 4.5Å; L171-Q199 PolarHBondContact O-N 2.99Å; L171-V232 WeakPolarHBondContact CA-O 3.48Å; L171-V232 HydrophobicContact CG-CB 4.42Å; L171-F234 HydrophobicContact CD1-CD2 3.88Å; L171-F234 HydrophobicContact CD1-CE2 3.79Å; L171-F234 HydrophobicContact CD2-CB 4.4Å; L171-F234 HydrophobicContact CD2-CD2 3.82Å; L171-F234 HydrophobicContact CD2-CG 4.45Å; L171-F234 HydrophobicContact CG-CD2 3.84Å; L171-F234 HydrophobicContact CG-CE2 4.23Å
172	F	93.8	Very high	87.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	131	173	-68.2	-87.5	0	0	0	110.4	V170 Q199 V201 L228 A231 V232 L233 F234 M235 F243	V170-F172 HydrophobicContact CB-CD2 4.36Å; V170-F172 HydrophobicContact CB-CE2 3.8Å; V170-F172 HydrophobicContact CB-CZ 4.36Å; V170-F172 HydrophobicContact CG1-CD2 3.94Å; V170-F172 HydrophobicContact CG1-CE1 4.34Å; V170-F172 HydrophobicContact CG1-CE2 3.48Å; V170-F172 VanDerWaalsContact CG1-CE2 3.48Å; V170-F172 HydrophobicContact CG1-CZ 3.69Å; F172-Q199 VanDerWaalsContact CA-O 3.3Å; F172-Q199 WeakPolarHBondContact CA-O 3.48Å; F172-Q199 HydrophobicContact CD1-CB 3.92Å; F172-Q199 HydrophobicContact CD1-CG 4.12Å; F172-Q199 HydrophobicContact CE1-CB 3.89Å; F172-Q199 VanDerWaalsContact CE1-CD 3.46Å; F172-Q199 HydrophobicContact CE1-CG 3.86Å; F172-Q199 VanDerWaalsContact CE1-OE1 3.29Å; F172-V201 HydrophobicContact CB-CG2 3.99Å; F172-V201 HydrophobicContact CD1-CG2 3.85Å; F172-V201 HydrophobicContact CG-CG2 4.38Å; F172-L228 HydrophobicContact CE2-CD2 3.92Å; F172-L228 HydrophobicContact CZ-CD2 3.61Å; F172-A231 HydrophobicContact CD2-CB 4.11Å; F172-A231 HydrophobicContact CE2-CB 4.04Å; F172-V232 PolarHBondContact N-O 3Å; F172-L233 HydrophobicContact CB-CD2 3.85Å; F172-L233 HydrophobicContact CD2-CD2 3.86Å; F172-L233 HydrophobicContact CG-CD2 4.16Å; F172-F234 PolarHBondContact O-N 3.11Å; F172-M235 HydrophobicContact CB-CE 3.53Å; F172-F243 HydrophobicContact CD1-CE1 4.37Å; F172-F243 HydrophobicContact CD1-CE2 4.21Å; F172-F243 AromaticContact CD1-CZ 3.71Å; F172-F243 HydrophobicContact CD1-CZ 3.71Å; F172-F243 HydrophobicContact CD2-CE1 4.33Å; F172-F243 HydrophobicContact CD2-CZ 4.31Å; F172-F243 HydrophobicContact CE1-CE1 4.46Å; F172-F243 HydrophobicContact CE1-CE2 4.16Å; F172-F243 AromaticContact CE1-CZ 3.57Å; F172-F243 HydrophobicContact CE1-CZ 3.57Å; F172-F243 HydrophobicContact CE2-CE1 4.43Å; F172-F243 HydrophobicContact CE2-CZ 4.19Å; F172-F243 HydrophobicContact CG-CE1 4.3Å; F172-F243 HydrophobicContact CG-CZ 4.09Å; F172-F243 AromaticContact CZ-CZ 3.84Å; F172-F243 HydrophobicContact CZ-CZ 3.84Å
173	Y	92.2	Very high	87.5	Confident	37 Å²	37	46.3 Å²	46.3	15%	0.145	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	150.8	178	66.6	-83.6	0	0	0	112.7	L171 F177 I179 L198 Q199 K200 V201 F234	L171-Y173 HydrophobicContact CD2-CD1 4.36Å; Y173-F177 HydrophobicContact CD2-CD1 4.4Å; Y173-I179 HydrophobicContact CE1-CD1 4.17Å; Y173-I179 HydrophobicContact CE2-CD1 4.4Å; Y173-L198 HydrophobicContact CD1-CD2 4.49Å; Y173-Q199 WeakPolarHBondContact CD1-O 3.46Å; Y173-Q199 PolarHBondContact N-O 3.49Å; Y173-Q199 VanDerWaalsContact N-O 3.13Å; Y173-K200 HydrophobicContact CD2-CG 4.41Å; Y173-K200 HydrophobicContact CE1-CB 4.11Å; Y173-K200 HydrophobicContact CE2-CB 4.03Å; Y173-K200 HydrophobicContact CE2-CD 4.11Å; Y173-K200 HydrophobicContact CE2-CG 3.84Å; Y173-V201 PolarHBondContact O-N 2.88Å; Y173-F234 WeakPolarHBondContact CA-O 3.48Å
174	D	89.7	Confident	87.6	Confident	6 Å²	6	45.8 Å²	45.8	3%	0.032	23%	0.226	C	C	.	.			trans	-66.5	165.3	-175.4	-135.4	-44.3	0	0	0	113.8	T126 D176 F177 F234 M235 S236 T239	T126-D174 HydrophobicContact CG2-CB 3.79Å; D174-D176 PolarHBondContact O-N 2.98Å; D174-F177 HydrophobicContact CB-CB 4.16Å; D174-F234 PolarHBondContact N-O 3.42Å; D174-F234 VanDerWaalsContact N-O 3.09Å; D174-M235 HydrophobicContact CB-CB 3.93Å; D174-M235 WeakPolarHBondContact OD2-CA 3.31Å; D174-M235 WeakPolarHBondContact OD2-CB 3.08Å; D174-S236 PolarHBondContact OD2-N 3.09Å; D174-T239 PolarHBondContact OD1-OG1 3.19Å; D174-T239 VanDerWaalsContact OD2-CB 3.31Å; D174-T239 WeakPolarHBondContact OD2-CB 3.32Å; D174-T239 PolarHBondContact OD2-OG1 2.89Å
175	S	86.5	Confident	87.9	Confident	25 Å²	25	45 Å²	45	18%	0.175	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.4	-30	-178	63.2	0	0	0	0	113.4	K200 V201	S175-K200 WeakPolarHBondContact O-CE 3.43Å; S175-K200 PolarHBondContact O-NZ 3.01Å; S175-V201 PolarHBondContact N-O 3.43Å
176	D	83	Confident	88.2	Confident	89 Å²	89	42.7 Å²	42.7	48%	0.476	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	-110.2	1.1	-167.8	-55	-3.8	0	0	0	112.1	D174	D174-D176 PolarHBondContact O-N 2.98Å
177	F	87.1	Confident	88.4	Confident	16 Å²	16	47 Å²	47	7%	0.07	23%	0.226	C	C	.	.			trans	-77	129.8	178.6	179.9	-102.3	0	0	0	111.5	P127 Y173 D174 I179 I182 F234	P127-F177 HydrophobicContact CB-CD2 4.4Å; P127-F177 HydrophobicContact CB-CE2 4.07Å; P127-F177 VanDerWaalsContact O-CD2 3.3Å; P127-F177 WeakPolarHBondContact O-CD2 3.35Å; P127-F177 VanDerWaalsContact O-CE2 3.29Å; P127-F177 WeakPolarHBondContact O-CE2 3.23Å; Y173-F177 HydrophobicContact CD2-CD1 4.4Å; D174-F177 HydrophobicContact CB-CB 4.16Å; F177-I179 PolarHBondContact O-N 3.21Å; F177-I182 HydrophobicContact CE1-CG1 4.37Å; F177-I182 HydrophobicContact CE1-CG2 4Å; F177-I182 HydrophobicContact CZ-CG2 4.03Å; F177-F234 HydrophobicContact CZ-CD1 4.25Å
178	D	84.2	Confident	88.9	Confident	48 Å²	48	44.9 Å²	44.9	26%	0.257	21%	0.214	S	C	.	.			trans	-76.1	103.1	175	-176.7	-2.7	0	0	0	110.4	R180 G181	D178-R180 PolarHBondContact O-N 2.94Å; D178-R180 WeakPolarHBondContact OD1-CB 3.31Å; D178-R180 WeakPolarHBondContact OD1-CG 3.46Å; D178-R180 IonicContact OD1-CZ 2.92Å; D178-R180 PolarHBondContact OD1-N 2.97Å; D178-R180 IonicContact OD1-NE 2.78Å; D178-R180 PolarHBondContact OD1-NE 3.44Å; D178-R180 IonicContact OD1-NH2 2.64Å; D178-R180 IonicContact OD2-CZ 3.09Å; D178-R180 VanDerWaalsContact OD2-CZ 3.31Å; D178-R180 IonicContact OD2-NE 2.88Å; D178-R180 PolarHBondContact OD2-NE 3.45Å; D178-R180 VanDerWaalsContact OD2-NE 3.14Å; D178-R180 IonicContact OD2-NH2 2.88Å; D178-R180 PolarHBondContact OD2-NH2 3.4Å; D178-G181 PolarHBondContact O-N 3.44Å
179	I	83.8	Confident	89.1	Confident	70 Å²	70	39.6 Å²	39.6	36%	0.359	19%	0.191	S	C	.	.	G	3₁₀ helix	trans	-55.2	-22.5	-177.5	-167.3	167.4	0	0	0	114.1	Y173 F177 G181 I182	Y173-I179 HydrophobicContact CE1-CD1 4.17Å; Y173-I179 HydrophobicContact CE2-CD1 4.4Å; F177-I179 PolarHBondContact O-N 3.21Å; I179-G181 PolarHBondContact O-N 3.33Å; I179-G181 VanDerWaalsContact O-N 3.15Å; I179-I182 HydrophobicContact CG1-CD1 4.23Å; I179-I182 HydrophobicContact CG1-CG1 4.15Å; I179-I182 WeakPolarHBondContact O-CG1 3.44Å; I179-I182 PolarHBondContact O-N 3.23Å; I179-I182 VanDerWaalsContact O-N 3.09Å
180	R	83.4	Confident	89.1	Confident	140 Å²	140	43.5 Å²	43.5	53%	0.528	22%	0.219	S	C	.	.	G	3₁₀ helix	trans	-60.7	-22.8	172.5	-61.8	176.4	-65.2	176.9	4	112.4	D178 I182 E183	D178-R180 PolarHBondContact O-N 2.94Å; D178-R180 WeakPolarHBondContact OD1-CB 3.31Å; D178-R180 WeakPolarHBondContact OD1-CG 3.46Å; D178-R180 IonicContact OD1-CZ 2.92Å; D178-R180 PolarHBondContact OD1-N 2.97Å; D178-R180 IonicContact OD1-NE 2.78Å; D178-R180 PolarHBondContact OD1-NE 3.44Å; D178-R180 IonicContact OD1-NH2 2.64Å; D178-R180 IonicContact OD2-CZ 3.09Å; D178-R180 VanDerWaalsContact OD2-CZ 3.31Å; D178-R180 IonicContact OD2-NE 2.88Å; D178-R180 PolarHBondContact OD2-NE 3.45Å; D178-R180 VanDerWaalsContact OD2-NE 3.14Å; D178-R180 IonicContact OD2-NH2 2.88Å; D178-R180 PolarHBondContact OD2-NH2 3.4Å; R180-I182 PolarHBondContact O-N 2.96Å; R180-E183 WeakPolarHBondContact O-CB 3.49Å; R180-E183 PolarHBondContact O-N 3.26Å
181	G	83.8	Confident	89	Confident	4 Å²	4	50.8 Å²	50.8	4%	0.041	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-57.9	-27.8	173.5	0	0	0	0	0	114.1	N154 D178 I179	N154-G181 PolarHBondContact ND2-O 3.13Å; N154-G181 PolarHBondContact OD1-O 3.25Å; D178-G181 PolarHBondContact O-N 3.44Å; I179-G181 PolarHBondContact O-N 3.33Å; I179-G181 VanDerWaalsContact O-N 3.15Å
182	I	88.8	Confident	88.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-108.5	9.7	-179	59.6	168.4	0	0	0	114	L171 F177 I179 R180 D184 F185 L186 L198 F234	L171-I182 HydrophobicContact CD1-CD1 3.86Å; L171-I182 HydrophobicContact CD2-CD1 3.71Å; L171-I182 HydrophobicContact CG-CD1 4.47Å; F177-I182 HydrophobicContact CE1-CG1 4.37Å; F177-I182 HydrophobicContact CE1-CG2 4Å; F177-I182 HydrophobicContact CZ-CG2 4.03Å; I179-I182 HydrophobicContact CG1-CD1 4.23Å; I179-I182 HydrophobicContact CG1-CG1 4.15Å; I179-I182 WeakPolarHBondContact O-CG1 3.44Å; I179-I182 PolarHBondContact O-N 3.23Å; I179-I182 VanDerWaalsContact O-N 3.09Å; R180-I182 PolarHBondContact O-N 2.96Å; I182-D184 PolarHBondContact O-N 3.11Å; I182-F185 HydrophobicContact CB-CB 4.45Å; I182-F185 WeakPolarHBondContact O-CB 3.31Å; I182-F185 PolarHBondContact O-N 2.88Å; I182-F185 VanDerWaalsContact O-N 3.13Å; I182-L186 HydrophobicContact CD1-CD1 4.1Å; I182-L186 HydrophobicContact CG1-CD1 4.11Å; I182-L186 WeakPolarHBondContact O-CG 3.28Å; I182-L186 PolarHBondContact O-N 2.88Å; I182-L198 HydrophobicContact CD1-CD2 3.84Å; I182-F234 HydrophobicContact CG2-CD1 4.07Å; I182-F234 HydrophobicContact CG2-CE1 3.78Å; I182-F234 HydrophobicContact CG2-CE2 4.25Å; I182-F234 HydrophobicContact CG2-CG 4.43Å; I182-F234 HydrophobicContact CG2-CZ 3.87Å
183	E	88.4	Confident	88.6	Confident	117 Å²	117	58.8 Å²	58.8	55%	0.547	31%	0.306	S	S	.	.	H	α-helix	trans	-57.5	-50.1	-177.8	-169.4	168.1	-173.3	0	0	111.9	R180 F185 L186 D187	R180-E183 WeakPolarHBondContact O-CB 3.49Å; R180-E183 PolarHBondContact O-N 3.26Å; E183-F185 VanDerWaalsContact C-N 3.32Å; E183-F185 PolarHBondContact O-N 3.1Å; E183-L186 PolarHBondContact O-N 3.39Å; E183-L186 VanDerWaalsContact O-N 3.15Å; E183-D187 PolarHBondContact O-N 3.36Å
184	D	88.5	Confident	88.5	Confident	62 Å²	62	58 Å²	58	33%	0.332	30%	0.304	S	S	.	.	H	α-helix	trans	-62.6	-31.3	175.1	167.4	68.4	0	0	0	113.7	I182 R188	I182-D184 PolarHBondContact O-N 3.11Å; D184-R188 VanDerWaalsContact CG-NH2 3.31Å; D184-R188 WeakPolarHBondContact O-CB 3.18Å; D184-R188 WeakPolarHBondContact O-CG 3.38Å; D184-R188 PolarHBondContact O-N 2.86Å; D184-R188 VanDerWaalsContact O-N 3.14Å; D184-R188 IonicContact OD1-CZ 3.57Å; D184-R188 VanDerWaalsContact OD1-CZ 3.3Å; D184-R188 IonicContact OD1-NE 3.58Å; D184-R188 PolarHBondContact OD1-NE 3.4Å; D184-R188 IonicContact OD1-NH2 3.18Å; D184-R188 PolarHBondContact OD1-NH2 3.32Å; D184-R188 IonicContact OD2-CZ 3.75Å; D184-R188 IonicContact OD2-NE 2.72Å; D184-R188 PolarHBondContact OD2-NE 2.98Å; D184-R188 IonicContact OD2-NH2 2.68Å; D184-R188 PolarHBondContact OD2-NH2 3.5Å
185	F	91.1	Very high	88.5	Confident	0 Å²	0	61.5 Å²	61.5	0%	0	32%	0.323	C	S	.	.	H	α-helix	trans	-68.2	-44.2	172.3	171	-99.3	0	0	0	111.5	N154 I157 M158 F169 L171 I182 E183 R188 T189	N154-F185 HydrophobicContact CB-CB 4.09Å; I157-F185 HydrophobicContact CB-CE2 4.21Å; I157-F185 HydrophobicContact CG1-CE2 3.95Å; I157-F185 HydrophobicContact CG1-CZ 4.2Å; I157-F185 HydrophobicContact CG2-CD2 3.32Å; I157-F185 HydrophobicContact CG2-CE2 3.42Å; I157-F185 VanDerWaalsContact CG2-CE2 3.42Å; I157-F185 HydrophobicContact CG2-CG 4.04Å; I157-F185 HydrophobicContact CG2-CZ 4.2Å; M158-F185 HydrophobicContact CG-CD2 3.82Å; M158-F185 HydrophobicContact CG-CE2 4.27Å; M158-F185 HydrophobicContact SD-CD2 3.49Å; M158-F185 WeakPolarHBondContact SD-CD2 3.49Å; M158-F185 HydrophobicContact SD-CE2 3.63Å; M158-F185 HydrophobicContact SD-CG 4.5Å; F169-F185 HydrophobicContact CE2-CE1 4.17Å; F169-F185 AromaticContact CE2-CZ 3.93Å; F169-F185 HydrophobicContact CE2-CZ 3.93Å; F169-F185 HydrophobicContact CZ-CE1 4.3Å; F169-F185 AromaticContact CZ-CZ 3.79Å; F169-F185 HydrophobicContact CZ-CZ 3.79Å; L171-F185 HydrophobicContact CD1-CD1 3.96Å; L171-F185 HydrophobicContact CD1-CE1 3.65Å; I182-F185 HydrophobicContact CB-CB 4.45Å; I182-F185 WeakPolarHBondContact O-CB 3.31Å; I182-F185 PolarHBondContact O-N 2.88Å; I182-F185 VanDerWaalsContact O-N 3.13Å; E183-F185 VanDerWaalsContact C-N 3.32Å; E183-F185 PolarHBondContact O-N 3.1Å; F185-R188 PolarHBondContact O-N 3.37Å; F185-T189 HydrophobicContact CD1-CG2 4.38Å; F185-T189 HydrophobicContact CD2-CG2 4.17Å; F185-T189 HydrophobicContact CE1-CG2 3.94Å; F185-T189 HydrophobicContact CE2-CG2 3.72Å; F185-T189 HydrophobicContact CG-CG2 4.49Å; F185-T189 HydrophobicContact CZ-CG2 3.6Å; F185-T189 WeakPolarHBondContact O-CG2 3.03Å; F185-T189 PolarHBondContact O-N 2.82Å; F185-T189 PolarHBondContact O-OG1 3.2Å
186	L	91.8	Very high	88.7	Confident	38 Å²	38	61.7 Å²	61.7	20%	0.199	32%	0.323	C	S	.	.	H	α-helix	trans	-66.2	-41.1	179.3	-66	169.8	0	0	0	111.6	I182 E183 R188 T189 S190 V196 L198	I182-L186 HydrophobicContact CD1-CD1 4.1Å; I182-L186 HydrophobicContact CG1-CD1 4.11Å; I182-L186 WeakPolarHBondContact O-CG 3.28Å; I182-L186 PolarHBondContact O-N 2.88Å; E183-L186 PolarHBondContact O-N 3.39Å; E183-L186 VanDerWaalsContact O-N 3.15Å; L186-R188 PolarHBondContact O-N 3.35Å; L186-T189 WeakPolarHBondContact CA-OG1 3.26Å; L186-T189 PolarHBondContact O-N 3.31Å; L186-T189 PolarHBondContact O-OG1 3Å; L186-S190 WeakPolarHBondContact O-CB 3.49Å; L186-S190 PolarHBondContact O-N 2.71Å; L186-V196 HydrophobicContact CD2-CG1 4.09Å; L186-L198 HydrophobicContact CD1-CD1 3.73Å; L186-L198 HydrophobicContact CD1-CD2 4.23Å; L186-L198 HydrophobicContact CD2-CD1 3.93Å; L186-L198 HydrophobicContact CD2-CD2 4.21Å; L186-L198 HydrophobicContact CD2-CG 4.27Å; L186-L198 HydrophobicContact CG-CD1 4.5Å
187	D	91.6	Very high	89.1	Confident	94 Å²	94	60.5 Å²	60.5	50%	0.503	32%	0.321	S	S	.	.	H	α-helix	trans	-61.8	-42.1	174.2	-85.6	-10.4	0	0	0	112.4	E183 Q191	E183-D187 PolarHBondContact O-N 3.36Å; D187-Q191 WeakPolarHBondContact O-CB 3.45Å; D187-Q191 VanDerWaalsContact O-CG 3.23Å; D187-Q191 WeakPolarHBondContact O-CG 3.34Å; D187-Q191 PolarHBondContact O-N 2.86Å; D187-Q191 PolarHBondContact O-NE2 3.5Å
188	R	92.2	Very high	89.3	Confident	73 Å²	73	63.2 Å²	63.2	28%	0.275	34%	0.337	S	S	.	.	H	α-helix	trans	-70.7	-40.8	178.5	-70.3	176	-163.4	-158.5	22.7	113.1	E155 M158 D184 F185 L186 S190 Q191 Q192	E155-R188 IonicContact OE1-CZ 3.59Å; E155-R188 VanDerWaalsContact OE1-CZ 3.23Å; E155-R188 IonicContact OE1-NH1 3.54Å; E155-R188 PolarHBondContact OE1-NH1 2.89Å; E155-R188 IonicContact OE1-NH2 3.88Å; E155-R188 PolarHBondContact OE1-NH2 3.39Å; E155-R188 IonicContact OE2-CZ 2.73Å; E155-R188 IonicContact OE2-NH1 2.74Å; E155-R188 PolarHBondContact OE2-NH1 2.78Å; E155-R188 IonicContact OE2-NH2 3.2Å; M158-R188 HydrophobicContact CE-CB 4.04Å; M158-R188 HydrophobicContact CG-CB 4.4Å; M158-R188 HydrophobicContact SD-CB 3.85Å; D184-R188 VanDerWaalsContact CG-NH2 3.31Å; D184-R188 WeakPolarHBondContact O-CB 3.18Å; D184-R188 WeakPolarHBondContact O-CG 3.38Å; D184-R188 PolarHBondContact O-N 2.86Å; D184-R188 VanDerWaalsContact O-N 3.14Å; D184-R188 IonicContact OD1-CZ 3.57Å; D184-R188 VanDerWaalsContact OD1-CZ 3.3Å; D184-R188 IonicContact OD1-NE 3.58Å; D184-R188 PolarHBondContact OD1-NE 3.4Å; D184-R188 IonicContact OD1-NH2 3.18Å; D184-R188 PolarHBondContact OD1-NH2 3.32Å; D184-R188 IonicContact OD2-CZ 3.75Å; D184-R188 IonicContact OD2-NE 2.72Å; D184-R188 PolarHBondContact OD2-NE 2.98Å; D184-R188 IonicContact OD2-NH2 2.68Å; D184-R188 PolarHBondContact OD2-NH2 3.5Å; F185-R188 PolarHBondContact O-N 3.37Å; L186-R188 PolarHBondContact O-N 3.35Å; R188-S190 VanDerWaalsContact C-N 3.33Å; R188-Q191 PolarHBondContact O-N 3.31Å; R188-Q192 WeakPolarHBondContact O-CG 3.39Å; R188-Q192 PolarHBondContact O-N 3.42Å
189	T	91.8	Very high	89.6	Confident	3 Å²	3	62.7 Å²	62.7	2%	0.018	33%	0.333	C	S	.	.	H	α-helix	trans	-64.7	-38.7	175.2	52.1	0	0	0	0	111.7	M158 F169 F185 L186 Q192 G193 M194 V196	M158-T189 HydrophobicContact CE-CG2 4.34Å; M158-T189 HydrophobicContact SD-CG2 3.65Å; F169-T189 HydrophobicContact CZ-CG2 4.28Å; F185-T189 HydrophobicContact CD1-CG2 4.38Å; F185-T189 HydrophobicContact CD2-CG2 4.17Å; F185-T189 HydrophobicContact CE1-CG2 3.94Å; F185-T189 HydrophobicContact CE2-CG2 3.72Å; F185-T189 HydrophobicContact CG-CG2 4.49Å; F185-T189 HydrophobicContact CZ-CG2 3.6Å; F185-T189 WeakPolarHBondContact O-CG2 3.03Å; F185-T189 PolarHBondContact O-N 2.82Å; F185-T189 PolarHBondContact O-OG1 3.2Å; L186-T189 WeakPolarHBondContact CA-OG1 3.26Å; L186-T189 PolarHBondContact O-N 3.31Å; L186-T189 PolarHBondContact O-OG1 3Å; T189-Q192 CarbonylContact O-C 3.46Å; T189-Q192 PolarHBondContact O-N 3.07Å; T189-G193 PolarHBondContact O-N 3.08Å; T189-G193 VanDerWaalsContact O-N 3.09Å; T189-M194 HydrophobicContact CG2-CE 4.21Å; T189-M194 HydrophobicContact CG2-SD 3.78Å; T189-M194 PolarHBondContact O-N 2.8Å; T189-V196 HydrophobicContact CG2-CG2 4.31Å
190	S	91.3	Very high	90	Very high	87 Å²	87	64.3 Å²	64.3	61%	0.608	34%	0.337	S	S	*	.	H	α-helix	trans	-61.4	-46.8	171.9	-178.4	0	0	0	0	112.3	L186 R188 Q192 G193	L186-S190 WeakPolarHBondContact O-CB 3.49Å; L186-S190 PolarHBondContact O-N 2.71Å; R188-S190 VanDerWaalsContact C-N 3.33Å; S190-Q192 PolarHBondContact O-N 2.71Å; S190-G193 PolarHBondContact O-N 3.41Å
191	Q	92.3	Very high	90.3	Very high	158 Å²	158	57.7 Å²	57.7	74%	0.738	31%	0.312	S	S	*	.	H	α-helix	trans	-61.5	-29	174.9	-73.8	168	48.9	0	0	113.5	D187 R188	D187-Q191 WeakPolarHBondContact O-CB 3.45Å; D187-Q191 VanDerWaalsContact O-CG 3.23Å; D187-Q191 WeakPolarHBondContact O-CG 3.34Å; D187-Q191 PolarHBondContact O-N 2.86Å; D187-Q191 PolarHBondContact O-NE2 3.5Å; R188-Q191 PolarHBondContact O-N 3.31Å
192	Q	89.9	Confident	90.4	Very high	107 Å²	107	62.7 Å²	62.7	50%	0.5	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-1.8	174.8	-67.7	-175.3	5.5	0	0	113.7	R188 T189 S190 M194	R188-Q192 WeakPolarHBondContact O-CG 3.39Å; R188-Q192 PolarHBondContact O-N 3.42Å; T189-Q192 CarbonylContact O-C 3.46Å; T189-Q192 PolarHBondContact O-N 3.07Å; S190-Q192 PolarHBondContact O-N 2.71Å; Q192-M194 HydrophobicContact CB-CE 3.96Å
193	G	88.6	Confident	90	Very high	61 Å²	61	67.8 Å²	67.8	63%	0.629	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.8	20	175.1	0	0	0	0	0	115.7	T189 S190	T189-G193 PolarHBondContact O-N 3.08Å; T189-G193 VanDerWaalsContact O-N 3.09Å; S190-G193 PolarHBondContact O-N 3.41Å
194	M	90.2	Very high	89.9	Confident	19 Å²	19	66 Å²	66	9%	0.094	36%	0.364	C	S	.	.			trans	-78.5	144.4	179.9	-53	-175.6	-154.8	0	0	112.6	M158 V161 Q167 F169 T189 Q192 V196	M158-M194 HydrophobicContact CE-CE 4.08Å; V161-M194 HydrophobicContact CG1-CE 4.19Å; V161-M194 HydrophobicContact CG1-SD 3.76Å; Q167-M194 WeakPolarHBondContact O-CA 3.47Å; F169-M194 HydrophobicContact CE1-SD 3.83Å; F169-M194 HydrophobicContact CZ-SD 4.35Å; T189-M194 HydrophobicContact CG2-CE 4.21Å; T189-M194 HydrophobicContact CG2-SD 3.78Å; T189-M194 PolarHBondContact O-N 2.8Å; Q192-M194 HydrophobicContact CB-CE 3.96Å; M194-V196 HydrophobicContact CB-CG2 4.05Å; M194-V196 PolarHBondContact O-N 2.87Å
195	D	89.5	Confident	89.8	Confident	80 Å²	80	63.6 Å²	63.6	43%	0.428	35%	0.351	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.2	93.3	174.2	-177.8	10.1	0	0	0	110.5	Q167 K168 F169	Q167-D195 PolarHBondContact O-N 3.49Å; K168-D195 VanDerWaalsContact CA-O 3.3Å; K168-D195 WeakPolarHBondContact CA-O 3.43Å; K168-D195 HydrophobicContact CB-CB 4.12Å; K168-D195 HydrophobicContact CD-CB 4.34Å; K168-D195 VanDerWaalsContact CD-OD2 3.28Å; K168-D195 WeakPolarHBondContact CD-OD2 3.21Å; K168-D195 WeakPolarHBondContact CE-OD2 3.16Å; K168-D195 HydrophobicContact CG-CB 4Å; K168-D195 IonicContact NZ-OD2 2.67Å; K168-D195 PolarHBondContact NZ-OD2 3.34Å; F169-D195 PolarHBondContact N-O 2.61Å; F169-D195 VanDerWaalsContact N-O 3.13Å
196	V	91.9	Very high	89.6	Confident	29 Å²	29	67.4 Å²	67.4	18%	0.176	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	114.8	-176.9	-173.1	0	0	0	0	110.6	F169 L171 L186 T189 M194	F169-V196 HydrophobicContact CD2-CG1 4.23Å; F169-V196 HydrophobicContact CE1-CG2 3.89Å; F169-V196 HydrophobicContact CE2-CB 4.41Å; F169-V196 HydrophobicContact CE2-CG1 3.74Å; F169-V196 HydrophobicContact CE2-CG2 3.88Å; F169-V196 HydrophobicContact CZ-CB 4.48Å; F169-V196 HydrophobicContact CZ-CG1 4.23Å; F169-V196 HydrophobicContact CZ-CG2 3.49Å; F169-V196 VanDerWaalsContact CZ-CG2 3.49Å; L171-V196 HydrophobicContact CB-CG1 4.36Å; L186-V196 HydrophobicContact CD2-CG1 4.09Å; T189-V196 HydrophobicContact CG2-CG2 4.31Å; M194-V196 HydrophobicContact CB-CG2 4.05Å; M194-V196 PolarHBondContact O-N 2.87Å
197	S	90.8	Very high	89.2	Confident	64 Å²	64	71.6 Å²	71.6	45%	0.448	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	136.9	172.7	-170.4	0	0	0	0	110.9	F169 V170 L171	F169-S197 PolarHBondContact O-N 2.99Å; F169-S197 VanDerWaalsContact O-N 3.08Å; V170-S197 CarbonylContact C-O 3.53Å; V170-S197 WeakPolarHBondContact CA-O 3.16Å; L171-S197 PolarHBondContact N-O 3.35Å
198	L	92	Very high	88.9	Confident	74 Å²	74	68.3 Å²	68.3	39%	0.387	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	127.3	-178.1	-79.7	152.8	0	0	0	110.8	L171 Y173 I182 L186	L171-L198 HydrophobicContact CB-CD2 4.21Å; L171-L198 HydrophobicContact CD2-CD2 4.05Å; L171-L198 HydrophobicContact CG-CD2 4.5Å; Y173-L198 HydrophobicContact CD1-CD2 4.49Å; I182-L198 HydrophobicContact CD1-CD2 3.84Å; L186-L198 HydrophobicContact CD1-CD1 3.73Å; L186-L198 HydrophobicContact CD1-CD2 4.23Å; L186-L198 HydrophobicContact CD2-CD1 3.93Å; L186-L198 HydrophobicContact CD2-CD2 4.21Å; L186-L198 HydrophobicContact CD2-CG 4.27Å; L186-L198 HydrophobicContact CG-CD1 4.5Å
199	Q	90.2	Very high	88.5	Confident	37 Å²	37	64.9 Å²	64.9	17%	0.173	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	122.2	-179.7	-167.6	166.5	-5.6	0	0	112	V170 L171 F172 Y173 M208 Y224	V170-Q199 HydrophobicContact CG1-CB 4.22Å; L171-Q199 PolarHBondContact O-N 2.99Å; F172-Q199 VanDerWaalsContact CA-O 3.3Å; F172-Q199 WeakPolarHBondContact CA-O 3.48Å; F172-Q199 HydrophobicContact CD1-CB 3.92Å; F172-Q199 HydrophobicContact CD1-CG 4.12Å; F172-Q199 HydrophobicContact CE1-CB 3.89Å; F172-Q199 VanDerWaalsContact CE1-CD 3.46Å; F172-Q199 HydrophobicContact CE1-CG 3.86Å; F172-Q199 VanDerWaalsContact CE1-OE1 3.29Å; Y173-Q199 WeakPolarHBondContact CD1-O 3.46Å; Y173-Q199 PolarHBondContact N-O 3.49Å; Y173-Q199 VanDerWaalsContact N-O 3.13Å; Q199-M208 HydrophobicContact CG-CE 4.18Å; Q199-Y224 PolarHBondContact NE2-OH 3.47Å; Q199-Y224 PolarHBondContact OE1-OH 3.38Å
200	K	91.2	Very high	88.1	Confident	104 Å²	104	66.8 Å²	66.8	45%	0.452	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	134.8	172.7	-168.5	168.1	-174.6	171.9	0	109.9	Y173 S175 M208	Y173-K200 HydrophobicContact CD2-CG 4.41Å; Y173-K200 HydrophobicContact CE1-CB 4.11Å; Y173-K200 HydrophobicContact CE2-CB 4.03Å; Y173-K200 HydrophobicContact CE2-CD 4.11Å; Y173-K200 HydrophobicContact CE2-CG 3.84Å; S175-K200 WeakPolarHBondContact O-CE 3.43Å; S175-K200 PolarHBondContact O-NZ 3.01Å; K200-M208 VanDerWaalsContact O-CE 3.23Å; K200-M208 WeakPolarHBondContact O-CE 3.25Å
201	V	90.1	Very high	87.6	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-92.3	133.2	167.8	179.9	0	0	0	0	108.9	F172 Y173 S175 V205 M208 M235 T239 F243	F172-V201 HydrophobicContact CB-CG2 3.99Å; F172-V201 HydrophobicContact CD1-CG2 3.85Å; F172-V201 HydrophobicContact CG-CG2 4.38Å; Y173-V201 PolarHBondContact O-N 2.88Å; S175-V201 PolarHBondContact N-O 3.43Å; V201-V205 HydrophobicContact CG1-CG2 4.01Å; V201-M208 HydrophobicContact CB-SD 4.48Å; V201-M208 HydrophobicContact CG1-SD 4.23Å; V201-M235 HydrophobicContact CG2-CE 3.77Å; V201-T239 HydrophobicContact CG1-CG2 3.94Å; V201-F243 HydrophobicContact CG1-CD2 4.41Å; V201-F243 HydrophobicContact CG2-CD2 4.38Å; V201-F243 HydrophobicContact CG2-CE2 4.36Å
202	E	87.1	Confident	87.1	Confident	110 Å²	110	57.5 Å²	57.5	51%	0.514	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-86.4	148.5	171.8	-63.2	-168	163.3	0	0	110.8	N204 V205 M208	E202-N204 CarbonylContact O-C 3.5Å; E202-N204 PolarHBondContact O-N 3.11Å; E202-N204 VanDerWaalsContact O-N 3.08Å; E202-V205 PolarHBondContact O-N 3.46Å; E202-M208 HydrophobicContact CB-CB 4.44Å
203	S	79.9	Confident	86.7	Confident	107 Å²	107	56.5 Å²	56.5	75%	0.748	32%	0.322	S	S	*	.	S	Bend	trans	-60.3	-20.5	178.5	55.1	0	0	0	0	113.7
204	N	85.9	Confident	86.4	Confident	80 Å²	80	63.5 Å²	63.5	43%	0.428	33%	0.329	S	S	.	.			trans	-101.3	76.6	166.2	-169.9	-11.3	0	0	0	111.3	E202 N206 M207 M208	E202-N204 CarbonylContact O-C 3.5Å; E202-N204 PolarHBondContact O-N 3.11Å; E202-N204 VanDerWaalsContact O-N 3.08Å; N204-N206 VanDerWaalsContact C-N 3.27Å; N204-N206 PolarHBondContact O-N 3.36Å; N204-M207 HydrophobicContact CB-CB 4.1Å; N204-M207 VanDerWaalsContact CG-CB 3.44Å; N204-M207 WeakPolarHBondContact ND2-CB 3.03Å; N204-M207 PolarHBondContact O-N 3.46Å; N204-M207 VanDerWaalsContact O-N 3.11Å; N204-M207 PolarHBondContact OD1-N 3.04Å; N204-M207 VanDerWaalsContact OD1-N 3.17Å; N204-M208 PolarHBondContact O-N 3.39Å
205	V	86.3	Confident	85.9	Confident	10 Å²	10	67.8 Å²	67.8	6%	0.061	36%	0.357	C	S	.	.	H	α-helix	trans	-48.2	-45.3	177.3	171.9	0	0	0	0	112.7	V201 E202 M207 M208 I209 A242 F243 E246	V201-V205 HydrophobicContact CG1-CG2 4.01Å; E202-V205 PolarHBondContact O-N 3.46Å; V205-M207 PolarHBondContact O-N 2.55Å; V205-M208 WeakPolarHBondContact O-CB 3.28Å; V205-M208 PolarHBondContact O-N 3.29Å; V205-I209 HydrophobicContact CG1-CG1 4.31Å; V205-I209 WeakPolarHBondContact O-CG1 3.45Å; V205-I209 PolarHBondContact O-N 2.89Å; V205-A242 HydrophobicContact CG2-CB 4.15Å; V205-F243 HydrophobicContact CG1-CB 4.45Å; V205-F243 HydrophobicContact CG1-CD2 4.29Å; V205-E246 HydrophobicContact CG1-CB 3.78Å; V205-E246 HydrophobicContact CG1-CG 4.11Å
206	N	86.2	Confident	85.6	Confident	81 Å²	81	67.2 Å²	67.2	43%	0.433	35%	0.352	S	S	.	.	H	α-helix	trans	-62.3	-42.3	-178.3	-175.4	-80.1	0	0	0	111.9	N204 T210 E246	N204-N206 VanDerWaalsContact C-N 3.27Å; N204-N206 PolarHBondContact O-N 3.36Å; N206-T210 WeakPolarHBondContact O-CB 3.41Å; N206-T210 PolarHBondContact O-N 3.31Å; N206-T210 PolarHBondContact O-OG1 2.96Å; N206-E246 WeakPolarHBondContact CA-OE2 3.25Å; N206-E246 VanDerWaalsContact CB-OE2 3.25Å; N206-E246 WeakPolarHBondContact CB-OE2 3.44Å; N206-E246 PolarHBondContact ND2-OE1 3.13Å; N206-E246 PolarHBondContact ND2-OE2 2.67Å
207	M	84.6	Confident	85.1	Confident	126 Å²	126	74.4 Å²	74.4	62%	0.621	38%	0.376	S	S	*	.	H	α-helix	trans	-68.4	-36.8	176.6	-177.8	164.5	169.2	0	0	112.2	N204 V205 G211	N204-M207 HydrophobicContact CB-CB 4.1Å; N204-M207 VanDerWaalsContact CG-CB 3.44Å; N204-M207 WeakPolarHBondContact ND2-CB 3.03Å; N204-M207 PolarHBondContact O-N 3.46Å; N204-M207 VanDerWaalsContact O-N 3.11Å; N204-M207 PolarHBondContact OD1-N 3.04Å; N204-M207 VanDerWaalsContact OD1-N 3.17Å; V205-M207 PolarHBondContact O-N 2.55Å; M207-G211 PolarHBondContact O-N 2.84Å
208	M	85.3	Confident	84.4	Confident	24 Å²	24	76.3 Å²	76.3	12%	0.118	39%	0.385	C	S	.	.	H	α-helix	trans	-62	-51.4	173.1	179.3	-168.3	177.6	0	0	111.5	Q199 K200 V201 E202 N204 V205 G211 L212	Q199-M208 HydrophobicContact CG-CE 4.18Å; K200-M208 VanDerWaalsContact O-CE 3.23Å; K200-M208 WeakPolarHBondContact O-CE 3.25Å; V201-M208 HydrophobicContact CB-SD 4.48Å; V201-M208 HydrophobicContact CG1-SD 4.23Å; E202-M208 HydrophobicContact CB-CB 4.44Å; N204-M208 PolarHBondContact O-N 3.39Å; V205-M208 WeakPolarHBondContact O-CB 3.28Å; V205-M208 PolarHBondContact O-N 3.29Å; M208-G211 WeakPolarHBondContact O-CA 3.19Å; M208-G211 PolarHBondContact O-N 2.9Å; M208-G211 VanDerWaalsContact O-N 3.15Å; M208-L212 PolarHBondContact O-N 3.34Å
209	I	84.1	Confident	83.5	Confident	1 Å²	1	79.5 Å²	79.5	1%	0.005	40%	0.398	C	S	.	.	H	α-helix	trans	-65.4	-45.1	179.9	-64.9	-59.4	0	0	0	111.2	V205 G211 L212 F213 F243 E246 V247 T250 L252	V205-I209 HydrophobicContact CG1-CG1 4.31Å; V205-I209 WeakPolarHBondContact O-CG1 3.45Å; V205-I209 PolarHBondContact O-N 2.89Å; I209-G211 PolarHBondContact O-N 2.9Å; I209-L212 HydrophobicContact CD1-CD1 4.13Å; I209-L212 WeakPolarHBondContact O-CB 3.5Å; I209-L212 PolarHBondContact O-N 3.21Å; I209-L212 VanDerWaalsContact O-N 3.16Å; I209-F213 HydrophobicContact CG2-CD2 3.98Å; I209-F213 HydrophobicContact CG2-CE2 3.58Å; I209-F213 WeakPolarHBondContact O-CD2 3.38Å; I209-F213 PolarHBondContact O-N 2.97Å; I209-F243 HydrophobicContact CD1-CE2 4.39Å; I209-E246 HydrophobicContact CB-CG 3.81Å; I209-E246 HydrophobicContact CG1-CB 4.42Å; I209-E246 HydrophobicContact CG1-CG 3.71Å; I209-E246 HydrophobicContact CG2-CG 3.96Å; I209-V247 HydrophobicContact CD1-CG1 3.89Å; I209-T250 HydrophobicContact CG2-CG2 4.03Å; I209-L252 HydrophobicContact CD1-CD1 4.09Å; I209-L252 HydrophobicContact CG2-CD1 3.98Å
210	T	82.9	Confident	83	Confident	44 Å²	44	81.4 Å²	81.4	27%	0.27	41%	0.406	S	S	.	.	H	α-helix	trans	-60.6	-32.5	172.6	-62.9	0	0	0	0	112	N206 R214	N206-T210 WeakPolarHBondContact O-CB 3.41Å; N206-T210 PolarHBondContact O-N 3.31Å; N206-T210 PolarHBondContact O-OG1 2.96Å; T210-R214 WeakPolarHBondContact O-CG 3.33Å; T210-R214 PolarHBondContact O-N 3.07Å
211	G	81.4	Confident	82.4	Confident	27 Å²	27	78.1 Å²	78.1	28%	0.278	39%	0.394	S	S	.	.	H	α-helix	trans	-66.1	-40.5	174.2	0	0	0	0	0	113.2	M207 M208 I209 R214 T215	M207-G211 PolarHBondContact O-N 2.84Å; M208-G211 WeakPolarHBondContact O-CA 3.19Å; M208-G211 PolarHBondContact O-N 2.9Å; M208-G211 VanDerWaalsContact O-N 3.15Å; I209-G211 PolarHBondContact O-N 2.9Å; G211-R214 PolarHBondContact O-N 2.9Å; G211-T215 WeakPolarHBondContact O-CG2 3.21Å; G211-T215 PolarHBondContact O-N 2.96Å; G211-T215 VanDerWaalsContact O-N 3.16Å; G211-T215 PolarHBondContact O-OG1 3.05Å
212	L	81.3	Confident	81.6	Confident	23 Å²	23	83.8 Å²	83.8	12%	0.12	42%	0.42	C	S	.	.	H	α-helix	trans	-61.5	-48.9	174.8	-71.3	166.7	0	0	0	111.2	M208 I209 R214 T215 M216 Y224	M208-L212 PolarHBondContact O-N 3.34Å; I209-L212 HydrophobicContact CD1-CD1 4.13Å; I209-L212 WeakPolarHBondContact O-CB 3.5Å; I209-L212 PolarHBondContact O-N 3.21Å; I209-L212 VanDerWaalsContact O-N 3.16Å; L212-R214 PolarHBondContact O-N 2.93Å; L212-R214 VanDerWaalsContact O-N 3.14Å; L212-T215 PolarHBondContact O-N 3.25Å; L212-T215 VanDerWaalsContact O-N 3.11Å; L212-T215 PolarHBondContact O-OG1 2.84Å; L212-M216 HydrophobicContact CD2-CE 3.7Å; L212-M216 HydrophobicContact CD2-SD 4.16Å; L212-M216 PolarHBondContact O-N 3.01Å; L212-Y224 HydrophobicContact CD1-CE1 3.95Å
213	F	81.8	Confident	81.1	Confident	85 Å²	85	86 Å²	86	37%	0.373	42%	0.424	S	S	.	.	H	α-helix	trans	-62.5	-19.8	177	-72.3	-66.5	0	0	0	114.5	I209 L221 T250 L252	I209-F213 HydrophobicContact CG2-CD2 3.98Å; I209-F213 HydrophobicContact CG2-CE2 3.58Å; I209-F213 WeakPolarHBondContact O-CD2 3.38Å; I209-F213 PolarHBondContact O-N 2.97Å; F213-L221 HydrophobicContact CD1-CD1 4.15Å; F213-L221 HydrophobicContact CD1-CD2 4.09Å; F213-L221 HydrophobicContact CE1-CD1 4.01Å; F213-L221 HydrophobicContact CE1-CD2 3.88Å; F213-T250 HydrophobicContact CE2-CG2 3.92Å; F213-L252 HydrophobicContact CE1-CD2 3.9Å; F213-L252 HydrophobicContact CE2-CD1 4.18Å; F213-L252 HydrophobicContact CE2-CD2 4.43Å; F213-L252 HydrophobicContact CE2-CG 4.34Å; F213-L252 HydrophobicContact CZ-CD1 4.06Å; F213-L252 HydrophobicContact CZ-CD2 3.57Å; F213-L252 HydrophobicContact CZ-CG 3.74Å
214	R	81	Confident	81.2	Confident	209 Å²	209	82 Å²	82	79%	0.789	39%	0.392	S	S	*	.	H	α-helix	trans	-90.5	-19.7	175.9	-73.6	174.9	-179.2	-175.7	3.3	114.2	T210 G211 L212	T210-R214 WeakPolarHBondContact O-CG 3.33Å; T210-R214 PolarHBondContact O-N 3.07Å; G211-R214 PolarHBondContact O-N 2.9Å; L212-R214 PolarHBondContact O-N 2.93Å; L212-R214 VanDerWaalsContact O-N 3.14Å
215	T	81.4	Confident	80.9	Confident	109 Å²	109	82.4 Å²	82.4	67%	0.669	39%	0.388	S	S	*	.	H	α-helix	trans	-109.5	-32.1	-172	50.5	0	0	0	0	113.4	G211 L212	G211-T215 WeakPolarHBondContact O-CG2 3.21Å; G211-T215 PolarHBondContact O-N 2.96Å; G211-T215 VanDerWaalsContact O-N 3.16Å; G211-T215 PolarHBondContact O-OG1 3.05Å; L212-T215 PolarHBondContact O-N 3.25Å; L212-T215 VanDerWaalsContact O-N 3.11Å; L212-T215 PolarHBondContact O-OG1 2.84Å
216	M	82.3	Confident	80.4	Confident	68 Å²	68	86.1 Å²	86.1	34%	0.335	41%	0.407	S	S	.	.	S	Bend	trans	-89.3	147.2	179.7	-66.8	-173.6	170.7	0	0	113.1	L212 E220 Y224	L212-M216 HydrophobicContact CD2-CE 3.7Å; L212-M216 HydrophobicContact CD2-SD 4.16Å; L212-M216 PolarHBondContact O-N 3.01Å; M216-E220 HydrophobicContact CB-CB 4.3Å; M216-Y224 HydrophobicContact SD-CG 4.47Å
217	R	81.4	Confident	80.1	Confident	180 Å²	180	84.4 Å²	84.4	68%	0.679	40%	0.4	S	S	*	.			trans	-79.6	160.4	167.6	-59.4	176.5	-177.7	176.4	3.7	110.8	E219 E220 L221	R217-E219 VanDerWaalsContact C-N 3.3Å; R217-E219 PolarHBondContact O-N 2.9Å; R217-E220 HydrophobicContact CB-CG 4.34Å; R217-E220 WeakPolarHBondContact CB-OE2 3.5Å; R217-E220 WeakPolarHBondContact CG-OE2 3.46Å; R217-E220 PolarHBondContact N-OE2 2.93Å; R217-E220 WeakPolarHBondContact O-CB 3.24Å; R217-E220 PolarHBondContact O-N 2.93Å; R217-L221 WeakPolarHBondContact O-CB 3.31Å; R217-L221 PolarHBondContact O-N 2.8Å
218	V	76.1	Confident	80	Confident	103 Å²	103	78.5 Å²	78.5	62%	0.624	37%	0.371	S	S	*	.	H	α-helix	trans	-57.2	-39.6	-178.9	-176.7	0	0	0	0	112.4	E220 L221 H222	V218-E220 VanDerWaalsContact C-N 3.32Å; V218-E220 PolarHBondContact O-N 2.87Å; V218-L221 WeakPolarHBondContact O-CB 3.39Å; V218-L221 PolarHBondContact O-N 3.28Å; V218-H222 PolarHBondContact O-CD2 3.18Å; V218-H222 PolarHBondContact O-N 2.94Å
219	E	73.8	Confident	79.9	Confident	141 Å²	141	82.8 Å²	82.8	66%	0.659	39%	0.386	S	S	*	.	H	α-helix	trans	-66.5	-28.1	175.4	-63.7	170.6	-159.8	0	0	114.4	R217 R223	R217-E219 VanDerWaalsContact C-N 3.3Å; R217-E219 PolarHBondContact O-N 2.9Å; E219-R223 PolarHBondContact O-N 2.92Å; E219-R223 PolarHBondContact O-NE 3.49Å; E219-R223 VanDerWaalsContact O-NE 3.13Å
220	E	78.4	Confident	80.2	Confident	77 Å²	77	87.8 Å²	87.8	36%	0.36	41%	0.405	S	S	.	.	H	α-helix	trans	-81.9	-40.3	177.2	-64.4	163.6	161.1	0	0	109.1	M216 R217 V218 H222 R223 Y224	M216-E220 HydrophobicContact CB-CB 4.3Å; R217-E220 HydrophobicContact CB-CG 4.34Å; R217-E220 WeakPolarHBondContact CB-OE2 3.5Å; R217-E220 WeakPolarHBondContact CG-OE2 3.46Å; R217-E220 PolarHBondContact N-OE2 2.93Å; R217-E220 WeakPolarHBondContact O-CB 3.24Å; R217-E220 PolarHBondContact O-N 2.93Å; V218-E220 VanDerWaalsContact C-N 3.32Å; V218-E220 PolarHBondContact O-N 2.87Å; E220-H222 PolarHBondContact O-N 2.92Å; E220-R223 PolarHBondContact O-N 3.09Å; E220-Y224 WeakPolarHBondContact O-CB 3.26Å; E220-Y224 PolarHBondContact O-N 2.85Å
221	L	79.3	Confident	80.7	Confident	35 Å²	35	85.7 Å²	85.7	18%	0.183	39%	0.392	C	S	.	.	H	α-helix	trans	-59.4	-42.8	172.3	-169.8	73	0	0	0	111.9	F213 R217 V218 R223 Y224 R225 L252	F213-L221 HydrophobicContact CD1-CD1 4.15Å; F213-L221 HydrophobicContact CD1-CD2 4.09Å; F213-L221 HydrophobicContact CE1-CD1 4.01Å; F213-L221 HydrophobicContact CE1-CD2 3.88Å; R217-L221 WeakPolarHBondContact O-CB 3.31Å; R217-L221 PolarHBondContact O-N 2.8Å; V218-L221 WeakPolarHBondContact O-CB 3.39Å; V218-L221 PolarHBondContact O-N 3.28Å; L221-R223 PolarHBondContact O-N 2.83Å; L221-Y224 WeakPolarHBondContact O-CB 3.23Å; L221-Y224 PolarHBondContact O-N 2.94Å; L221-R225 WeakPolarHBondContact O-CG 3.34Å; L221-R225 PolarHBondContact O-N 3.01Å; L221-L252 HydrophobicContact CD1-CD2 3.81Å
222	H	74.1	Confident	81.3	Confident	119 Å²	119	84.4 Å²	84.4	55%	0.551	38%	0.378	S	S	*	.	H	α-helix	trans	-61.9	-41.3	174.4	-81.1	-68.8	0	0	0	112.5	V218 E220 Y224 R225 D226	V218-H222 PolarHBondContact O-CD2 3.18Å; V218-H222 PolarHBondContact O-N 2.94Å; E220-H222 PolarHBondContact O-N 2.92Å; H222-Y224 VanDerWaalsContact C-N 3.34Å; H222-R225 PolarHBondContact O-N 3.06Å; H222-D226 PolarHBondContact O-N 3.13Å; H222-D226 VanDerWaalsContact O-N 3.14Å
223	R	76.1	Confident	82	Confident	158 Å²	158	83.3 Å²	83.3	60%	0.596	37%	0.373	S	S	*	.	H	α-helix	trans	-66.1	-35.6	173	-79.1	178.5	-79.3	170.1	-7.3	112.2	E219 E220 L221 D226 T227	E219-R223 PolarHBondContact O-N 2.92Å; E219-R223 PolarHBondContact O-NE 3.49Å; E219-R223 VanDerWaalsContact O-NE 3.13Å; E220-R223 PolarHBondContact O-N 3.09Å; L221-R223 PolarHBondContact O-N 2.83Å; R223-D226 WeakPolarHBondContact O-CB 3.43Å; R223-D226 PolarHBondContact O-N 3.36Å; R223-T227 PolarHBondContact O-N 3.12Å
224	Y	80.8	Confident	82.4	Confident	23 Å²	23	79.3 Å²	79.3	9%	0.09	36%	0.355	C	S	.	.	H	α-helix	trans	-65.9	-43.7	174.9	-174.1	-115.6	0	0	0	111.8	Q199 L212 M216 E220 L221 H222 D226 T227 L228	Q199-Y224 PolarHBondContact NE2-OH 3.47Å; Q199-Y224 PolarHBondContact OE1-OH 3.38Å; L212-Y224 HydrophobicContact CD1-CE1 3.95Å; M216-Y224 HydrophobicContact SD-CG 4.47Å; E220-Y224 WeakPolarHBondContact O-CB 3.26Å; E220-Y224 PolarHBondContact O-N 2.85Å; L221-Y224 WeakPolarHBondContact O-CB 3.23Å; L221-Y224 PolarHBondContact O-N 2.94Å; H222-Y224 VanDerWaalsContact C-N 3.34Å; Y224-D226 VanDerWaalsContact C-N 3.25Å; Y224-D226 PolarHBondContact O-N 2.89Å; Y224-T227 WeakPolarHBondContact CA-OG1 3.14Å; Y224-T227 PolarHBondContact O-N 2.81Å; Y224-T227 VanDerWaalsContact O-N 3.1Å; Y224-T227 PolarHBondContact O-OG1 3.29Å; Y224-L228 HydrophobicContact CD1-CD1 3.93Å; Y224-L228 HydrophobicContact CD1-CG 4.38Å; Y224-L228 HydrophobicContact CE1-CD1 3.73Å; Y224-L228 HydrophobicContact CE1-CD2 4.38Å; Y224-L228 HydrophobicContact CE1-CG 4.19Å; Y224-L228 WeakPolarHBondContact O-CG 3.1Å; Y224-L228 PolarHBondContact O-N 3.06Å
225	R	80.1	Confident	82.9	Confident	88 Å²	88	69.4 Å²	69.4	33%	0.332	32%	0.318	S	S	.	.	H	α-helix	trans	-56.9	-38.3	171.9	-67.6	-169.7	70.8	-178	2.7	112.2	L221 H222 L228 N251 L252 V253	L221-R225 WeakPolarHBondContact O-CG 3.34Å; L221-R225 PolarHBondContact O-N 3.01Å; H222-R225 PolarHBondContact O-N 3.06Å; R225-L228 PolarHBondContact O-N 2.9Å; R225-N251 PolarHBondContact NE-O 3.36Å; R225-N251 PolarHBondContact NH1-O 2.93Å; R225-N251 PolarHBondContact NH2-O 2.94Å; R225-L252 HydrophobicContact CG-CD2 4.38Å; R225-L252 VanDerWaalsContact CG-O 3.3Å; R225-L252 WeakPolarHBondContact CG-O 3.22Å; R225-L252 PolarHBondContact NE-O 3.46Å; R225-V253 PolarHBondContact NH2-O 2.9Å
226	D	75.2	Confident	83.4	Confident	87 Å²	87	64.4 Å²	64.4	47%	0.465	29%	0.287	S	S	.	.	H	α-helix	trans	-65.7	-41.4	175.3	-159.4	60.9	0	0	0	112.3	H222 R223 Y224 L228 R229	H222-D226 PolarHBondContact O-N 3.13Å; H222-D226 VanDerWaalsContact O-N 3.14Å; R223-D226 WeakPolarHBondContact O-CB 3.43Å; R223-D226 PolarHBondContact O-N 3.36Å; Y224-D226 VanDerWaalsContact C-N 3.25Å; Y224-D226 PolarHBondContact O-N 2.89Å; D226-L228 VanDerWaalsContact C-N 3.3Å; D226-L228 PolarHBondContact O-N 3.42Å; D226-R229 WeakPolarHBondContact O-CB 3.3Å; D226-R229 WeakPolarHBondContact O-CG 3.45Å; D226-R229 PolarHBondContact O-N 3.28Å; D226-R229 IonicContact OD1-CZ 2.69Å; D226-R229 IonicContact OD1-NE 3.67Å; D226-R229 PolarHBondContact OD1-NE 2.99Å; D226-R229 IonicContact OD1-NH2 3.21Å; D226-R229 PolarHBondContact OD1-NH2 2.97Å
227	T	79.9	Confident	83.8	Confident	46 Å²	46	61.9 Å²	61.9	28%	0.282	28%	0.276	S	S	.	.	H	α-helix	trans	-66	-29.5	172.2	56.5	0	0	0	0	113.5	R223 Y224 R229	R223-T227 PolarHBondContact O-N 3.12Å; Y224-T227 WeakPolarHBondContact CA-OG1 3.14Å; Y224-T227 PolarHBondContact O-N 2.81Å; Y224-T227 VanDerWaalsContact O-N 3.1Å; Y224-T227 PolarHBondContact O-OG1 3.29Å; T227-R229 PolarHBondContact O-N 2.88Å
228	L	84	Confident	84.2	Confident	1 Å²	1	56.5 Å²	56.5	1%	0.005	27%	0.27	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-5.8	176	-70.4	175.6	0	0	0	114	F172 Y224 R225 D226 R230 L252 C257 W259	F172-L228 HydrophobicContact CE2-CD2 3.92Å; F172-L228 HydrophobicContact CZ-CD2 3.61Å; Y224-L228 HydrophobicContact CD1-CD1 3.93Å; Y224-L228 HydrophobicContact CD1-CG 4.38Å; Y224-L228 HydrophobicContact CE1-CD1 3.73Å; Y224-L228 HydrophobicContact CE1-CD2 4.38Å; Y224-L228 HydrophobicContact CE1-CG 4.19Å; Y224-L228 WeakPolarHBondContact O-CG 3.1Å; Y224-L228 PolarHBondContact O-N 3.06Å; R225-L228 PolarHBondContact O-N 2.9Å; D226-L228 VanDerWaalsContact C-N 3.3Å; D226-L228 PolarHBondContact O-N 3.42Å; L228-R230 VanDerWaalsContact C-N 3.26Å; L228-R230 PolarHBondContact O-N 3.05Å; L228-L252 HydrophobicContact CD1-CB 3.97Å; L228-C257 PolarHBondContact O-SG 3.38Å; L228-W259 HydrophobicContact CD2-CZ2 4.36Å; L228-W259 PolarHBondContact O-NE1 2.87Å
229	R	83	Confident	85	Confident	115 Å²	115	52.7 Å²	52.7	43%	0.434	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62	-30.6	175.4	-68	-171	-151.2	-125.7	14.3	113.3	D226 T227 D256 C257 H258	D226-R229 WeakPolarHBondContact O-CB 3.3Å; D226-R229 WeakPolarHBondContact O-CG 3.45Å; D226-R229 PolarHBondContact O-N 3.28Å; D226-R229 IonicContact OD1-CZ 2.69Å; D226-R229 IonicContact OD1-NE 3.67Å; D226-R229 PolarHBondContact OD1-NE 2.99Å; D226-R229 IonicContact OD1-NH2 3.21Å; D226-R229 PolarHBondContact OD1-NH2 2.97Å; T227-R229 PolarHBondContact O-N 2.88Å; R229-D256 VanDerWaalsContact CD-OD2 3.32Å; R229-D256 WeakPolarHBondContact CD-OD2 3.48Å; R229-D256 IonicContact CZ-OD2 3.47Å; R229-D256 IonicContact NE-OD2 3.28Å; R229-D256 IonicContact NH1-OD2 3.4Å; R229-D256 PolarHBondContact NH1-OD2 2.99Å; R229-C257 CarbonylContact O-C 3.53Å; R229-C257 WeakPolarHBondContact O-CA 3.36Å; R229-H258 PolarHBondContact O-N 2.97Å
230	R	89.6	Confident	85.9	Confident	106 Å²	106	46 Å²	46	40%	0.4	22%	0.216	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	113.6	179.2	-64	-173.8	-172.3	-153.1	5.4	110.2	W166 F169 V170 L228	W166-R230 HydrophobicContact CD2-CB 4.27Å; W166-R230 HydrophobicContact CD2-CG 4.41Å; W166-R230 HydrophobicContact CE3-CB 4.1Å; W166-R230 HydrophobicContact CH2-CB 3.99Å; W166-R230 HydrophobicContact CZ2-CB 4.17Å; W166-R230 HydrophobicContact CZ2-CG 4.21Å; W166-R230 HydrophobicContact CZ3-CB 3.95Å; F169-R230 WeakPolarHBondContact CA-O 3.47Å; F169-R230 HydrophobicContact CB-CB 3.87Å; F169-R230 WeakPolarHBondContact CB-O 3.35Å; V170-R230 PolarHBondContact N-O 2.72Å; L228-R230 VanDerWaalsContact C-N 3.26Å; L228-R230 PolarHBondContact O-N 3.05Å
231	A	93.6	Very high	86.5	Confident	0 Å²	0	43.4 Å²	43.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	141.8	-176	0	0	0	0	0	112.6	V170 F172 L233 H258 W259 I260	V170-A231 CarbonylContact O-C 3.6Å; V170-A231 VanDerWaalsContact O-CA 3.26Å; V170-A231 WeakPolarHBondContact O-CA 3.49Å; F172-A231 HydrophobicContact CD2-CB 4.11Å; F172-A231 HydrophobicContact CE2-CB 4.04Å; A231-L233 HydrophobicContact CB-CD2 4.47Å; A231-H258 PolarHBondContact N-O 3.19Å; A231-W259 HydrophobicContact CB-CD2 4.12Å; A231-W259 HydrophobicContact CB-CG 3.99Å; A231-W259 HydrophobicContact CB-CZ2 4.44Å; A231-W259 CarbonylContact O-C 3.46Å; A231-W259 WeakPolarHBondContact O-CA 3.39Å; A231-I260 PolarHBondContact O-N 3.46Å
232	V	94.9	Very high	87.1	Confident	0 Å²	0	43.8 Å²	43.8	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	132.6	168.5	-173.2	0	0	0	0	108.4	I157 W166 F169 V170 L171 F172 F234 I260 I262	I157-V232 HydrophobicContact CD1-CG1 3.74Å; I157-V232 HydrophobicContact CD1-CG2 4.22Å; I157-V232 HydrophobicContact CG1-CG1 3.99Å; W166-V232 HydrophobicContact CZ3-CG2 3.88Å; F169-V232 HydrophobicContact CD2-CG2 3.82Å; F169-V232 HydrophobicContact CE2-CG2 4Å; V170-V232 PolarHBondContact O-N 2.95Å; L171-V232 WeakPolarHBondContact CA-O 3.48Å; L171-V232 HydrophobicContact CG-CB 4.42Å; F172-V232 PolarHBondContact N-O 3Å; V232-F234 HydrophobicContact CG1-CD2 3.8Å; V232-F234 HydrophobicContact CG1-CE2 3.63Å; V232-I260 CarbonylContact C-O 3.48Å; V232-I260 WeakPolarHBondContact CA-O 3.37Å; V232-I260 HydrophobicContact CG2-CD1 4.41Å; V232-I262 HydrophobicContact CG1-CG2 4.02Å
233	L	94.6	Very high	88	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	110.3	-176.8	-50.1	-177.7	0	0	0	109.7	F172 A231 M235 F243 I244 W259 I260 L261 I262	F172-L233 HydrophobicContact CB-CD2 3.85Å; F172-L233 HydrophobicContact CD2-CD2 3.86Å; F172-L233 HydrophobicContact CG-CD2 4.16Å; A231-L233 HydrophobicContact CB-CD2 4.47Å; L233-M235 HydrophobicContact CB-CE 3.96Å; L233-M235 HydrophobicContact CB-CG 4.21Å; L233-M235 HydrophobicContact CB-SD 4.27Å; L233-M235 HydrophobicContact CD2-CE 3.91Å; L233-M235 HydrophobicContact CG-CE 4.42Å; L233-F243 HydrophobicContact CD2-CD1 4.28Å; L233-F243 HydrophobicContact CD2-CE1 4.1Å; L233-I244 HydrophobicContact CD1-CD1 4.13Å; L233-I244 HydrophobicContact CD1-CG1 4.4Å; L233-W259 HydrophobicContact CD1-CE3 3.99Å; L233-W259 HydrophobicContact CD1-CZ3 4.4Å; L233-I260 PolarHBondContact N-O 3.31Å; L233-L261 HydrophobicContact CB-CD1 3.69Å; L233-L261 HydrophobicContact CD1-CD1 4.42Å; L233-I262 PolarHBondContact O-N 2.96Å; L233-I262 VanDerWaalsContact O-N 3.1Å
234	F	91.6	Very high	88.7	Confident	1 Å²	1	30.8 Å²	30.8	0%	0.004	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	72.4	173	-85.2	-92.3	0	0	0	109.8	P127 L153 I157 L171 F172 Y173 D174 F177 I182 V232 I262	P127-F234 HydrophobicContact CB-CD1 4.47Å; P127-F234 HydrophobicContact CG-CD1 4.44Å; L153-F234 HydrophobicContact CB-CE1 4.31Å; I157-F234 HydrophobicContact CB-CZ 4.41Å; I157-F234 HydrophobicContact CG1-CE2 4.48Å; I157-F234 HydrophobicContact CG2-CE2 4.42Å; I157-F234 HydrophobicContact CG2-CZ 3.89Å; L171-F234 HydrophobicContact CD1-CD2 3.88Å; L171-F234 HydrophobicContact CD1-CE2 3.79Å; L171-F234 HydrophobicContact CD2-CB 4.4Å; L171-F234 HydrophobicContact CD2-CD2 3.82Å; L171-F234 HydrophobicContact CD2-CG 4.45Å; L171-F234 HydrophobicContact CG-CD2 3.84Å; L171-F234 HydrophobicContact CG-CE2 4.23Å; F172-F234 PolarHBondContact O-N 3.11Å; Y173-F234 WeakPolarHBondContact CA-O 3.48Å; D174-F234 PolarHBondContact N-O 3.42Å; D174-F234 VanDerWaalsContact N-O 3.09Å; F177-F234 HydrophobicContact CZ-CD1 4.25Å; I182-F234 HydrophobicContact CG2-CD1 4.07Å; I182-F234 HydrophobicContact CG2-CE1 3.78Å; I182-F234 HydrophobicContact CG2-CE2 4.25Å; I182-F234 HydrophobicContact CG2-CG 4.43Å; I182-F234 HydrophobicContact CG2-CZ 3.87Å; V232-F234 HydrophobicContact CG1-CD2 3.8Å; V232-F234 HydrophobicContact CG1-CE2 3.63Å; F234-I262 HydrophobicContact CD1-CG2 3.95Å; F234-I262 HydrophobicContact CD2-CG2 3.82Å; F234-I262 HydrophobicContact CE1-CG2 3.78Å; F234-I262 HydrophobicContact CE2-CG2 3.66Å; F234-I262 HydrophobicContact CG-CG2 3.98Å; F234-I262 HydrophobicContact CZ-CD1 4.45Å; F234-I262 HydrophobicContact CZ-CG2 3.64Å
235	M	91.7	Very high	89.2	Confident	0 Å²	0	31 Å²	31	0%	0	16%	0.162	C	C	.	.	S	Bend	trans	-148.8	168.5	-172.1	64.4	-173.6	64.5	0	0	112.9	F172 D174 V201 L233 T239 A240 F243 L261 N263	F172-M235 HydrophobicContact CB-CE 3.53Å; D174-M235 HydrophobicContact CB-CB 3.93Å; D174-M235 WeakPolarHBondContact OD2-CA 3.31Å; D174-M235 WeakPolarHBondContact OD2-CB 3.08Å; V201-M235 HydrophobicContact CG2-CE 3.77Å; L233-M235 HydrophobicContact CB-CE 3.96Å; L233-M235 HydrophobicContact CB-CG 4.21Å; L233-M235 HydrophobicContact CB-SD 4.27Å; L233-M235 HydrophobicContact CD2-CE 3.91Å; L233-M235 HydrophobicContact CG-CE 4.42Å; M235-T239 HydrophobicContact CB-CG2 4.2Å; M235-T239 HydrophobicContact CG-CG2 4.47Å; M235-T239 HydrophobicContact SD-CG2 4.01Å; M235-A240 HydrophobicContact CG-CB 3.91Å; M235-A240 VanDerWaalsContact SD-CA 3.57Å; M235-A240 HydrophobicContact SD-CB 4.02Å; M235-F243 HydrophobicContact SD-CB 4.4Å; M235-L261 HydrophobicContact CG-CD1 4.3Å; M235-N263 PolarHBondContact O-ND2 3.43Å
236	S	91.8	Very high	89.7	Confident	4 Å²	4	28.3 Å²	28.3	3%	0.028	15%	0.153	C	C	.	.			trans	-63.4	154	176.2	85.9	0	0	0	0	111.1	V124 G125 D174 A238 T239 A240	V124-S236 WeakPolarHBondContact O-CB 3.42Å; G125-S236 WeakPolarHBondContact O-CA 3.4Å; D174-S236 PolarHBondContact OD2-N 3.09Å; S236-A238 PolarHBondContact O-N 3.29Å; S236-A238 PolarHBondContact OG-N 2.98Å; S236-T239 PolarHBondContact O-N 2.88Å; S236-T239 PolarHBondContact OG-N 3.44Å; S236-T239 PolarHBondContact OG-OG1 3.07Å; S236-A240 WeakPolarHBondContact O-CB 3.48Å; S236-A240 PolarHBondContact O-N 3.05Å
237	P	90.9	Very high	90.3	Very high	15 Å²	15	24.2 Å²	24.2	10%	0.097	13%	0.131	C	C	.	.	H	α-helix	trans	-59.8	-28.7	175	-22.1	33.4	0	0	0	112.7	K241 I266 D270	P237-K241 WeakPolarHBondContact O-CD 3.32Å; P237-K241 WeakPolarHBondContact O-CG 3.27Å; P237-K241 PolarHBondContact O-N 3.04Å; P237-K241 VanDerWaalsContact O-N 3.07Å; P237-I266 HydrophobicContact CG-CG1 4.4Å; P237-D270 HydrophobicContact CB-CB 4.06Å
238	A	89.8	Confident	90.6	Very high	68 Å²	68	23.4 Å²	23.4	56%	0.562	13%	0.126	S	C	*	.	H	α-helix	trans	-71.1	-47.5	175.5	0	0	0	0	0	111.8	S236 A240 K241 A242	S236-A238 PolarHBondContact O-N 3.29Å; S236-A238 PolarHBondContact OG-N 2.98Å; A238-A240 VanDerWaalsContact C-N 3.33Å; A238-A240 PolarHBondContact O-N 3.29Å; A238-K241 PolarHBondContact O-N 3.45Å; A238-A242 PolarHBondContact O-N 3.27Å
239	T	91.4	Very high	90.8	Very high	22 Å²	22	30 Å²	30	14%	0.135	16%	0.157	C	C	.	.	H	α-helix	trans	-59.7	-45	175	-45.2	0	0	0	0	110.4	D174 V201 M235 S236 K241 A242 F243	D174-T239 PolarHBondContact OD1-OG1 3.19Å; D174-T239 VanDerWaalsContact OD2-CB 3.31Å; D174-T239 WeakPolarHBondContact OD2-CB 3.32Å; D174-T239 PolarHBondContact OD2-OG1 2.89Å; V201-T239 HydrophobicContact CG1-CG2 3.94Å; M235-T239 HydrophobicContact CB-CG2 4.2Å; M235-T239 HydrophobicContact CG-CG2 4.47Å; M235-T239 HydrophobicContact SD-CG2 4.01Å; S236-T239 PolarHBondContact O-N 2.88Å; S236-T239 PolarHBondContact OG-N 3.44Å; S236-T239 PolarHBondContact OG-OG1 3.07Å; T239-K241 PolarHBondContact O-N 2.64Å; T239-A242 PolarHBondContact O-N 3.47Å; T239-F243 VanDerWaalsContact O-CB 3.32Å; T239-F243 WeakPolarHBondContact O-CB 3.41Å; T239-F243 PolarHBondContact O-N 3Å
240	A	92.5	Very high	90.8	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.1	-44.6	177.3	0	0	0	0	0	112.5	M235 S236 A238 F243 I244 L261 L274	M235-A240 HydrophobicContact CG-CB 3.91Å; M235-A240 VanDerWaalsContact SD-CA 3.57Å; M235-A240 HydrophobicContact SD-CB 4.02Å; S236-A240 WeakPolarHBondContact O-CB 3.48Å; S236-A240 PolarHBondContact O-N 3.05Å; A238-A240 VanDerWaalsContact C-N 3.33Å; A238-A240 PolarHBondContact O-N 3.29Å; A240-F243 PolarHBondContact O-N 3.07Å; A240-I244 VanDerWaalsContact O-CB 3.29Å; A240-I244 WeakPolarHBondContact O-CB 3.29Å; A240-I244 WeakPolarHBondContact O-CD1 3.44Å; A240-I244 VanDerWaalsContact O-CG1 3.25Å; A240-I244 WeakPolarHBondContact O-CG1 3.3Å; A240-I244 PolarHBondContact O-N 2.89Å; A240-L261 HydrophobicContact CB-CD1 3.77Å; A240-L261 HydrophobicContact CB-CD2 3.93Å; A240-L274 HydrophobicContact CB-CD2 3.99Å
241	K	92	Very high	90.5	Very high	23 Å²	23	26.7 Å²	26.7	10%	0.1	16%	0.157	C	C	.	.	H	α-helix	trans	-61.3	-45.8	175	-74.3	165.9	-176	-164.9	0	112	P237 A238 T239 T245 D270 E273 L274	P237-K241 WeakPolarHBondContact O-CD 3.32Å; P237-K241 WeakPolarHBondContact O-CG 3.27Å; P237-K241 PolarHBondContact O-N 3.04Å; P237-K241 VanDerWaalsContact O-N 3.07Å; A238-K241 PolarHBondContact O-N 3.45Å; T239-K241 PolarHBondContact O-N 2.64Å; K241-T245 WeakPolarHBondContact O-CB 3.27Å; K241-T245 PolarHBondContact O-N 3.14Å; K241-T245 PolarHBondContact O-OG1 2.96Å; K241-D270 WeakPolarHBondContact CE-OD1 3.29Å; K241-D270 IonicContact NZ-OD1 2.75Å; K241-D270 PolarHBondContact NZ-OD1 3.39Å; K241-E273 WeakPolarHBondContact CD-OE2 3.37Å; K241-E273 VanDerWaalsContact CE-OE2 3.29Å; K241-E273 WeakPolarHBondContact CE-OE2 3.42Å; K241-E273 IonicContact NZ-OE2 3.63Å; K241-E273 PolarHBondContact NZ-OE2 3.29Å; K241-L274 HydrophobicContact CB-CD2 4.44Å; K241-L274 HydrophobicContact CG-CD2 3.67Å; K241-L274 HydrophobicContact CG-CG 3.95Å
242	A	91.6	Very high	89.9	Confident	44 Å²	44	26.9 Å²	26.9	36%	0.364	16%	0.158	S	C	.	.	H	α-helix	trans	-62.2	-49.5	178.8	0	0	0	0	0	111	V205 A238 T239 T245 E246	V205-A242 HydrophobicContact CG2-CB 4.15Å; A238-A242 PolarHBondContact O-N 3.27Å; T239-A242 PolarHBondContact O-N 3.47Å; A242-T245 PolarHBondContact O-N 3.18Å; A242-E246 PolarHBondContact O-N 3.44Å
243	F	92.3	Very high	89.1	Confident	1 Å²	1	27.4 Å²	27.4	0%	0.004	16%	0.161	C	C	.	.	H	α-helix	trans	-58.1	-50.2	177.6	-171.8	-106.3	0	0	0	112.6	F172 V201 V205 I209 L233 M235 T239 A240 T245 E246 V247 W259	F172-F243 HydrophobicContact CD1-CE1 4.37Å; F172-F243 HydrophobicContact CD1-CE2 4.21Å; F172-F243 AromaticContact CD1-CZ 3.71Å; F172-F243 HydrophobicContact CD1-CZ 3.71Å; F172-F243 HydrophobicContact CD2-CE1 4.33Å; F172-F243 HydrophobicContact CD2-CZ 4.31Å; F172-F243 HydrophobicContact CE1-CE1 4.46Å; F172-F243 HydrophobicContact CE1-CE2 4.16Å; F172-F243 AromaticContact CE1-CZ 3.57Å; F172-F243 HydrophobicContact CE1-CZ 3.57Å; F172-F243 HydrophobicContact CE2-CE1 4.43Å; F172-F243 HydrophobicContact CE2-CZ 4.19Å; F172-F243 HydrophobicContact CG-CE1 4.3Å; F172-F243 HydrophobicContact CG-CZ 4.09Å; F172-F243 AromaticContact CZ-CZ 3.84Å; F172-F243 HydrophobicContact CZ-CZ 3.84Å; V201-F243 HydrophobicContact CG1-CD2 4.41Å; V201-F243 HydrophobicContact CG2-CD2 4.38Å; V201-F243 HydrophobicContact CG2-CE2 4.36Å; V205-F243 HydrophobicContact CG1-CB 4.45Å; V205-F243 HydrophobicContact CG1-CD2 4.29Å; I209-F243 HydrophobicContact CD1-CE2 4.39Å; L233-F243 HydrophobicContact CD2-CD1 4.28Å; L233-F243 HydrophobicContact CD2-CE1 4.1Å; M235-F243 HydrophobicContact SD-CB 4.4Å; T239-F243 VanDerWaalsContact O-CB 3.32Å; T239-F243 WeakPolarHBondContact O-CB 3.41Å; T239-F243 PolarHBondContact O-N 3Å; A240-F243 PolarHBondContact O-N 3.07Å; F243-T245 VanDerWaalsContact C-N 3.31Å; F243-T245 PolarHBondContact O-N 3.42Å; F243-E246 PolarHBondContact O-N 3.35Å; F243-V247 HydrophobicContact CD2-CG1 4.4Å; F243-V247 HydrophobicContact CE1-CG1 4.36Å; F243-V247 HydrophobicContact CE2-CG1 4.11Å; F243-V247 HydrophobicContact CZ-CG1 4.08Å; F243-V247 WeakPolarHBondContact O-CG1 3.48Å; F243-V247 WeakPolarHBondContact O-CG2 3.13Å; F243-V247 PolarHBondContact O-N 3.06Å; F243-W259 HydrophobicContact CD1-CH2 4.03Å; F243-W259 AromaticContact CD1-CZ3 3.81Å; F243-W259 HydrophobicContact CD1-CZ3 3.81Å; F243-W259 AromaticContact CE1-CH2 3.49Å; F243-W259 HydrophobicContact CE1-CH2 3.49Å; F243-W259 VanDerWaalsContact CE1-CH2 3.49Å; F243-W259 HydrophobicContact CE1-CZ2 4.46Å; F243-W259 AromaticContact CE1-CZ3 3.7Å; F243-W259 HydrophobicContact CE1-CZ3 3.7Å; F243-W259 HydrophobicContact CZ-CH2 4.37Å
244	I	91.7	Very high	88.1	Confident	2 Å²	2	29 Å²	29	1%	0.01	17%	0.174	C	C	.	.	H	α-helix	trans	-64.2	-33.6	177.8	-69.6	163.8	0	0	0	111.8	L233 A240 V248 W259 L274 K277	L233-I244 HydrophobicContact CD1-CD1 4.13Å; L233-I244 HydrophobicContact CD1-CG1 4.4Å; A240-I244 VanDerWaalsContact O-CB 3.29Å; A240-I244 WeakPolarHBondContact O-CB 3.29Å; A240-I244 WeakPolarHBondContact O-CD1 3.44Å; A240-I244 VanDerWaalsContact O-CG1 3.25Å; A240-I244 WeakPolarHBondContact O-CG1 3.3Å; A240-I244 PolarHBondContact O-N 2.89Å; I244-V248 VanDerWaalsContact O-CB 3.24Å; I244-V248 WeakPolarHBondContact O-CB 3.47Å; I244-V248 WeakPolarHBondContact O-CG2 3.48Å; I244-V248 PolarHBondContact O-N 3.24Å; I244-W259 HydrophobicContact CG1-CE3 3.92Å; I244-W259 HydrophobicContact CG1-CZ3 3.72Å; I244-L274 HydrophobicContact CD1-CD2 3.73Å; I244-K277 HydrophobicContact CG2-CB 4.03Å
245	T	90.6	Very high	86.9	Confident	28 Å²	28	33.6 Å²	33.6	17%	0.172	19%	0.194	C	C	.	.	H	α-helix	trans	-66.8	-53.9	175.4	-49.8	0	0	0	0	110.3	K241 A242 F243 V247 V248 E249 K277	K241-T245 WeakPolarHBondContact O-CB 3.27Å; K241-T245 PolarHBondContact O-N 3.14Å; K241-T245 PolarHBondContact O-OG1 2.96Å; A242-T245 PolarHBondContact O-N 3.18Å; F243-T245 VanDerWaalsContact C-N 3.31Å; F243-T245 PolarHBondContact O-N 3.42Å; T245-V247 PolarHBondContact O-N 3.03Å; T245-V248 PolarHBondContact O-N 2.94Å; T245-E249 HydrophobicContact CG2-CG 4.36Å; T245-E249 VanDerWaalsContact CG2-OE1 3.31Å; T245-E249 WeakPolarHBondContact CG2-OE1 3.46Å; T245-E249 WeakPolarHBondContact O-CG 3.46Å; T245-E249 PolarHBondContact O-N 2.94Å; T245-K277 WeakPolarHBondContact OG1-CD 3.39Å; T245-K277 WeakPolarHBondContact OG1-CE 3.04Å; T245-K277 PolarHBondContact OG1-NZ 2.85Å; T245-K277 VanDerWaalsContact OG1-NZ 3.1Å
246	E	90.5	Very high	85.9	Confident	31 Å²	31	36.6 Å²	36.6	15%	0.145	21%	0.21	C	C	.	.	H	α-helix	trans	-63.8	-44.4	-173.8	-168.2	78.4	-136.9	0	0	112.3	V205 N206 I209 A242 F243 V248 E249 T250	V205-E246 HydrophobicContact CG1-CB 3.78Å; V205-E246 HydrophobicContact CG1-CG 4.11Å; N206-E246 WeakPolarHBondContact CA-OE2 3.25Å; N206-E246 VanDerWaalsContact CB-OE2 3.25Å; N206-E246 WeakPolarHBondContact CB-OE2 3.44Å; N206-E246 PolarHBondContact ND2-OE1 3.13Å; N206-E246 PolarHBondContact ND2-OE2 2.67Å; I209-E246 HydrophobicContact CB-CG 3.81Å; I209-E246 HydrophobicContact CG1-CB 4.42Å; I209-E246 HydrophobicContact CG1-CG 3.71Å; I209-E246 HydrophobicContact CG2-CG 3.96Å; A242-E246 PolarHBondContact O-N 3.44Å; F243-E246 PolarHBondContact O-N 3.35Å; E246-V248 VanDerWaalsContact C-N 3.26Å; E246-V248 PolarHBondContact O-N 3.37Å; E246-E249 PolarHBondContact O-N 3.33Å; E246-T250 WeakPolarHBondContact O-CB 3.42Å; E246-T250 VanDerWaalsContact O-CG2 3.31Å; E246-T250 WeakPolarHBondContact O-CG2 3.16Å; E246-T250 PolarHBondContact O-N 3.01Å; E246-T250 PolarHBondContact O-OG1 3.47Å
247	V	88.6	Confident	85.5	Confident	1 Å²	1	36.7 Å²	36.7	1%	0.006	21%	0.211	C	C	.	.	H	α-helix	trans	-69.2	-22.7	179.1	-62.4	0	0	0	0	113.6	I209 F243 T245 L252 V253 W259	I209-V247 HydrophobicContact CD1-CG1 3.89Å; F243-V247 HydrophobicContact CD2-CG1 4.4Å; F243-V247 HydrophobicContact CE1-CG1 4.36Å; F243-V247 HydrophobicContact CE2-CG1 4.11Å; F243-V247 HydrophobicContact CZ-CG1 4.08Å; F243-V247 WeakPolarHBondContact O-CG1 3.48Å; F243-V247 WeakPolarHBondContact O-CG2 3.13Å; F243-V247 PolarHBondContact O-N 3.06Å; T245-V247 PolarHBondContact O-N 3.03Å; V247-L252 HydrophobicContact CB-CB 4.3Å; V247-L252 HydrophobicContact CG1-CD1 4.23Å; V247-L252 PolarHBondContact O-N 2.87Å; V247-V253 HydrophobicContact CB-CG1 4.3Å; V247-V253 HydrophobicContact CG2-CG1 4.01Å; V247-V253 HydrophobicContact CG2-CG2 4.38Å; V247-V253 PolarHBondContact O-N 3.2Å; V247-W259 HydrophobicContact CB-CH2 4.37Å; V247-W259 HydrophobicContact CG2-CH2 3.49Å; V247-W259 VanDerWaalsContact CG2-CH2 3.49Å; V247-W259 HydrophobicContact CG2-CZ2 4.48Å; V247-W259 HydrophobicContact CG2-CZ3 3.92Å
248	V	86.8	Confident	85.3	Confident	29 Å²	29	37.1 Å²	37.1	18%	0.176	21%	0.212	C	C	.	.	H	α-helix	trans	-80.3	-51.3	174.8	159.2	0	0	0	0	110.4	I244 T245 E246 T250 N251 V253 I279	I244-V248 VanDerWaalsContact O-CB 3.24Å; I244-V248 WeakPolarHBondContact O-CB 3.47Å; I244-V248 WeakPolarHBondContact O-CG2 3.48Å; I244-V248 PolarHBondContact O-N 3.24Å; T245-V248 PolarHBondContact O-N 2.94Å; E246-V248 VanDerWaalsContact C-N 3.26Å; E246-V248 PolarHBondContact O-N 3.37Å; V248-T250 VanDerWaalsContact C-N 3.27Å; V248-T250 PolarHBondContact O-N 3.49Å; V248-N251 PolarHBondContact O-N 2.89Å; V248-V253 HydrophobicContact CB-CG2 4.45Å; V248-V253 HydrophobicContact CG2-CG2 3.58Å; V248-I279 HydrophobicContact CB-CD1 4.39Å; V248-I279 HydrophobicContact CG1-CD1 3.68Å; V248-I279 HydrophobicContact CG1-CG1 3.92Å; V248-I279 HydrophobicContact CG2-CD1 4.12Å; V248-I279 HydrophobicContact CG2-CG1 3.92Å
249	E	86.9	Confident	85.5	Confident	139 Å²	139	34.6 Å²	34.6	65%	0.65	19%	0.188	S	C	*	.	H	α-helix	trans	-63.2	-34.7	179.8	-70	179.4	-178.5	0	0	111.9	T245 E246 N251	T245-E249 HydrophobicContact CG2-CG 4.36Å; T245-E249 VanDerWaalsContact CG2-OE1 3.31Å; T245-E249 WeakPolarHBondContact CG2-OE1 3.46Å; T245-E249 WeakPolarHBondContact O-CG 3.46Å; T245-E249 PolarHBondContact O-N 2.94Å; E246-E249 PolarHBondContact O-N 3.33Å; E249-N251 VanDerWaalsContact C-N 3.27Å; E249-N251 PolarHBondContact O-N 2.93Å; E249-N251 PolarHBondContact O-ND2 3.08Å
250	T	84.3	Confident	85.6	Confident	40 Å²	40	33.5 Å²	33.5	25%	0.245	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	4	174.4	60.6	0	0	0	0	114.6	I209 F213 E246 V248 L252	I209-T250 HydrophobicContact CG2-CG2 4.03Å; F213-T250 HydrophobicContact CE2-CG2 3.92Å; E246-T250 WeakPolarHBondContact O-CB 3.42Å; E246-T250 VanDerWaalsContact O-CG2 3.31Å; E246-T250 WeakPolarHBondContact O-CG2 3.16Å; E246-T250 PolarHBondContact O-N 3.01Å; E246-T250 PolarHBondContact O-OG1 3.47Å; V248-T250 VanDerWaalsContact C-N 3.27Å; V248-T250 PolarHBondContact O-N 3.49Å; T250-L252 VanDerWaalsContact C-N 3.26Å; T250-L252 PolarHBondContact O-N 2.89Å
251	N	82.1	Confident	85.8	Confident	112 Å²	112	33.5 Å²	33.5	60%	0.599	18%	0.181	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.8	35.9	179.1	-68.5	-91.6	0	0	0	114.1	R225 V248 E249	R225-N251 PolarHBondContact NE-O 3.36Å; R225-N251 PolarHBondContact NH1-O 2.93Å; R225-N251 PolarHBondContact NH2-O 2.94Å; V248-N251 PolarHBondContact O-N 2.89Å; E249-N251 VanDerWaalsContact C-N 3.27Å; E249-N251 PolarHBondContact O-N 2.93Å; E249-N251 PolarHBondContact O-ND2 3.08Å
252	L	81.5	Confident	85.8	Confident	4 Å²	4	32.4 Å²	32.4	2%	0.021	18%	0.176	C	C	.	.			trans	-76.9	-38.6	172.9	-72.4	172.8	0	0	0	111.6	I209 F213 L221 R225 L228 V247 T250	I209-L252 HydrophobicContact CD1-CD1 4.09Å; I209-L252 HydrophobicContact CG2-CD1 3.98Å; F213-L252 HydrophobicContact CE1-CD2 3.9Å; F213-L252 HydrophobicContact CE2-CD1 4.18Å; F213-L252 HydrophobicContact CE2-CD2 4.43Å; F213-L252 HydrophobicContact CE2-CG 4.34Å; F213-L252 HydrophobicContact CZ-CD1 4.06Å; F213-L252 HydrophobicContact CZ-CD2 3.57Å; F213-L252 HydrophobicContact CZ-CG 3.74Å; L221-L252 HydrophobicContact CD1-CD2 3.81Å; R225-L252 HydrophobicContact CG-CD2 4.38Å; R225-L252 VanDerWaalsContact CG-O 3.3Å; R225-L252 WeakPolarHBondContact CG-O 3.22Å; R225-L252 PolarHBondContact NE-O 3.46Å; L228-L252 HydrophobicContact CD1-CB 3.97Å; V247-L252 HydrophobicContact CB-CB 4.3Å; V247-L252 HydrophobicContact CG1-CD1 4.23Å; V247-L252 PolarHBondContact O-N 2.87Å; T250-L252 VanDerWaalsContact C-N 3.26Å; T250-L252 PolarHBondContact O-N 2.89Å
253	V	78.9	Confident	85.9	Confident	12 Å²	12	30.4 Å²	30.4	7%	0.073	16%	0.16	C	C	.	.			trans	-87.8	172.4	176.5	-65.4	0	0	0	0	112.4	R225 V247 V248 W259	R225-V253 PolarHBondContact NH2-O 2.9Å; V247-V253 HydrophobicContact CB-CG1 4.3Å; V247-V253 HydrophobicContact CG2-CG1 4.01Å; V247-V253 HydrophobicContact CG2-CG2 4.38Å; V247-V253 PolarHBondContact O-N 3.2Å; V248-V253 HydrophobicContact CB-CG2 4.45Å; V248-V253 HydrophobicContact CG2-CG2 3.58Å; V253-W259 HydrophobicContact CG1-CH2 3.78Å; V253-W259 HydrophobicContact CG1-CZ2 3.34Å
254	A	72.2	Confident	85.8	Confident	32 Å²	32	30.6 Å²	30.6	26%	0.264	16%	0.16	S	C	.	.			trans	-140.5	-179.3	172	0	0	0	0	0	109.8	D256 C257	A254-D256 VanDerWaalsContact C-N 3.28Å; A254-D256 WeakPolarHBondContact CB-OD1 3.31Å; A254-D256 PolarHBondContact O-N 3.36Å; A254-C257 PolarHBondContact N-SG 3.26Å; A254-C257 WeakPolarHBondContact O-CB 3.49Å; A254-C257 PolarHBondContact O-N 2.95Å
255	F	67.9	Low	85.6	Confident	98 Å²	98	32.3 Å²	32.3	43%	0.43	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.7	-23.1	-175.1	68.8	-90.6	0	0	0	113.7	C257 I279 G280 R782 D783	F255-C257 VanDerWaalsContact C-N 3.31Å; F255-I279 HydrophobicContact CB-CG2 4.19Å; F255-G280 VanDerWaalsContact O-CA 3.28Å; F255-G280 WeakPolarHBondContact O-CA 3.32Å; F255-R782 VanDerWaalsContact CZ-NH2 3.29Å; F255-D783 WeakPolarHBondContact CD2-OD2 3.45Å; F255-D783 HydrophobicContact CE2-CB 4.44Å; F255-D783 WeakPolarHBondContact CE2-OD1 3.32Å; F255-D783 VanDerWaalsContact CE2-OD2 3.29Å; F255-D783 WeakPolarHBondContact CE2-OD2 3.23Å; F255-D783 WeakPolarHBondContact CZ-OD1 3.14Å
256	D	70.4	Confident	85.5	Confident	63 Å²	63	31.4 Å²	31.4	34%	0.337	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-7.2	179.2	67.9	-47.8	0	0	0	113.3	R229 A254 H258	R229-D256 VanDerWaalsContact CD-OD2 3.32Å; R229-D256 WeakPolarHBondContact CD-OD2 3.48Å; R229-D256 IonicContact CZ-OD2 3.47Å; R229-D256 IonicContact NE-OD2 3.28Å; R229-D256 IonicContact NH1-OD2 3.4Å; R229-D256 PolarHBondContact NH1-OD2 2.99Å; A254-D256 VanDerWaalsContact C-N 3.28Å; A254-D256 WeakPolarHBondContact CB-OD1 3.31Å; A254-D256 PolarHBondContact O-N 3.36Å; D256-H258 PolarHBondContact O-N 3.47Å
257	C	83	Confident	85.3	Confident	7 Å²	7	32 Å²	32	5%	0.047	17%	0.17	C	C	.	.			trans	-60	128.8	171	-71.2	0	0	0	0	110.8	L228 R229 A254 F255 G280 R281	L228-C257 PolarHBondContact O-SG 3.38Å; R229-C257 CarbonylContact O-C 3.53Å; R229-C257 WeakPolarHBondContact O-CA 3.36Å; A254-C257 PolarHBondContact N-SG 3.26Å; A254-C257 WeakPolarHBondContact O-CB 3.49Å; A254-C257 PolarHBondContact O-N 2.95Å; F255-C257 VanDerWaalsContact C-N 3.31Å; C257-G280 CarbonylContact O-C 3.6Å; C257-G280 WeakPolarHBondContact O-CA 3.43Å; C257-R281 PolarHBondContact O-N 3.33Å
258	H	87.5	Confident	85.1	Confident	23 Å²	23	37.1 Å²	37.1	11%	0.106	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	109.8	171.4	-179.7	-169.5	0	0	0	109.1	Y164 W166 R229 A231 D256 R281 T283	Y164-H258 AromaticContact CD1-CE1 3.81Å; Y164-H258 AromaticContact CD2-CE1 3.62Å; Y164-H258 AromaticContact CE1-CE1 3.64Å; Y164-H258 AromaticContact CE2-CE1 3.43Å; Y164-H258 VanDerWaalsContact CE2-CE1 3.43Å; Y164-H258 WeakPolarHBondContact CE2-CE1 3.32Å; Y164-H258 AromaticContact CE2-NE2 3.55Å; Y164-H258 AromaticContact CG-CE1 3.8Å; Y164-H258 AromaticContact CZ-CE1 3.43Å; Y164-H258 VanDerWaalsContact CZ-CE1 3.43Å; Y164-H258 AromaticContact CZ-NE2 3.63Å; W166-H258 WeakPolarHBondContact CH2-O 3.45Å; W166-H258 HydrophobicContact CZ2-CB 4.17Å; W166-H258 AromaticContact CZ2-CE1 3.98Å; W166-H258 AromaticContact CZ2-CG 3.78Å; W166-H258 AromaticContact CZ2-ND1 3.73Å; W166-H258 VanDerWaalsContact CZ2-O 3.31Å; W166-H258 WeakPolarHBondContact CZ2-O 3.3Å; W166-H258 AromaticContact NE1-ND1 3.82Å; R229-H258 PolarHBondContact O-N 2.97Å; A231-H258 PolarHBondContact N-O 3.19Å; D256-H258 PolarHBondContact O-N 3.47Å; H258-R281 CarbonylContact C-O 3.59Å; H258-R281 VanDerWaalsContact CA-O 3.32Å; H258-R281 WeakPolarHBondContact CA-O 3.46Å; H258-R281 HydrophobicContact CB-CB 4.31Å; H258-R281 PolarHBondContact CD2-O 3.47Å; H258-T283 PolarHBondContact NE2-OG1 3.49Å
259	W	92.8	Very high	85	Confident	15 Å²	15	43.5 Å²	43.5	6%	0.057	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	146.2	-175.4	-72.3	12.6	0	0	0	111.2	L228 A231 L233 F243 I244 V247 V253 R281 L282 T283	L228-W259 HydrophobicContact CD2-CZ2 4.36Å; L228-W259 PolarHBondContact O-NE1 2.87Å; A231-W259 HydrophobicContact CB-CD2 4.12Å; A231-W259 HydrophobicContact CB-CG 3.99Å; A231-W259 HydrophobicContact CB-CZ2 4.44Å; A231-W259 CarbonylContact O-C 3.46Å; A231-W259 WeakPolarHBondContact O-CA 3.39Å; L233-W259 HydrophobicContact CD1-CE3 3.99Å; L233-W259 HydrophobicContact CD1-CZ3 4.4Å; F243-W259 HydrophobicContact CD1-CH2 4.03Å; F243-W259 AromaticContact CD1-CZ3 3.81Å; F243-W259 HydrophobicContact CD1-CZ3 3.81Å; F243-W259 AromaticContact CE1-CH2 3.49Å; F243-W259 HydrophobicContact CE1-CH2 3.49Å; F243-W259 VanDerWaalsContact CE1-CH2 3.49Å; F243-W259 HydrophobicContact CE1-CZ2 4.46Å; F243-W259 AromaticContact CE1-CZ3 3.7Å; F243-W259 HydrophobicContact CE1-CZ3 3.7Å; F243-W259 HydrophobicContact CZ-CH2 4.37Å; I244-W259 HydrophobicContact CG1-CE3 3.92Å; I244-W259 HydrophobicContact CG1-CZ3 3.72Å; V247-W259 HydrophobicContact CB-CH2 4.37Å; V247-W259 HydrophobicContact CG2-CH2 3.49Å; V247-W259 VanDerWaalsContact CG2-CH2 3.49Å; V247-W259 HydrophobicContact CG2-CZ2 4.48Å; V247-W259 HydrophobicContact CG2-CZ3 3.92Å; V253-W259 HydrophobicContact CG1-CH2 3.78Å; V253-W259 HydrophobicContact CG1-CZ2 3.34Å; W259-R281 PolarHBondContact N-O 3.29Å; W259-L282 HydrophobicContact CB-CD1 4.15Å; W259-T283 PolarHBondContact O-N 3.11Å
260	I	94.6	Very high	85.1	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120	114.3	177.6	-57.2	163.7	0	0	0	108.6	I157 V160 V161 Y164 W166 A231 V232 L233 T283 V285	I157-I260 HydrophobicContact CD1-CB 4.48Å; I157-I260 HydrophobicContact CD1-CD1 4.22Å; I157-I260 HydrophobicContact CD1-CG2 3.78Å; V160-I260 HydrophobicContact CG1-CD1 3.82Å; V160-I260 HydrophobicContact CG1-CG1 4.45Å; V160-I260 HydrophobicContact CG1-CG2 4.46Å; V161-I260 HydrophobicContact CG2-CD1 4.4Å; Y164-I260 HydrophobicContact CD2-CD1 4.27Å; Y164-I260 HydrophobicContact CE2-CD1 4.46Å; W166-I260 HydrophobicContact CE3-CD1 4.27Å; W166-I260 HydrophobicContact CH2-CD1 3.51Å; W166-I260 HydrophobicContact CH2-CG1 3.79Å; W166-I260 HydrophobicContact CZ2-CD1 3.87Å; W166-I260 HydrophobicContact CZ2-CG1 4.2Å; W166-I260 HydrophobicContact CZ3-CD1 3.73Å; W166-I260 HydrophobicContact CZ3-CG1 4.4Å; A231-I260 PolarHBondContact O-N 3.46Å; V232-I260 CarbonylContact C-O 3.48Å; V232-I260 WeakPolarHBondContact CA-O 3.37Å; V232-I260 HydrophobicContact CG2-CD1 4.41Å; L233-I260 PolarHBondContact N-O 3.31Å; I260-T283 CarbonylContact C-O 3.27Å; I260-T283 WeakPolarHBondContact CA-O 3.39Å; I260-V285 HydrophobicContact CG2-CG2 4.38Å
261	L	95.3	Very high	85.3	Confident	0 Å²	0	37.1 Å²	37.1	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	124.1	168.7	178.9	64.5	0	0	0	109.5	L233 M235 A240 I266 L274 T283 L284 V285	L233-L261 HydrophobicContact CB-CD1 3.69Å; L233-L261 HydrophobicContact CD1-CD1 4.42Å; M235-L261 HydrophobicContact CG-CD1 4.3Å; A240-L261 HydrophobicContact CB-CD1 3.77Å; A240-L261 HydrophobicContact CB-CD2 3.93Å; L261-I266 HydrophobicContact CD2-CD1 3.92Å; L261-I266 HydrophobicContact CG-CD1 4Å; L261-L274 HydrophobicContact CD2-CD1 3.51Å; L261-L274 HydrophobicContact CD2-CD2 4.28Å; L261-T283 PolarHBondContact N-O 2.95Å; L261-L284 HydrophobicContact CD2-CD2 4.28Å; L261-L284 WeakPolarHBondContact O-CA 3.46Å; L261-V285 PolarHBondContact O-N 3.42Å
262	I	93.3	Very high	85.5	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	110.4	179	179.4	165.7	0	0	0	110.8	L153 I157 V232 L233 F234 V285	L153-I262 HydrophobicContact CB-CD1 3.98Å; L153-I262 HydrophobicContact CD2-CD1 4.02Å; L153-I262 HydrophobicContact CD2-CG1 3.91Å; L153-I262 WeakPolarHBondContact O-CD1 3.27Å; I157-I262 HydrophobicContact CB-CD1 3.89Å; V232-I262 HydrophobicContact CG1-CG2 4.02Å; L233-I262 PolarHBondContact O-N 2.96Å; L233-I262 VanDerWaalsContact O-N 3.1Å; F234-I262 HydrophobicContact CD1-CG2 3.95Å; F234-I262 HydrophobicContact CD2-CG2 3.82Å; F234-I262 HydrophobicContact CE1-CG2 3.78Å; F234-I262 HydrophobicContact CE2-CG2 3.66Å; F234-I262 HydrophobicContact CG-CG2 3.98Å; F234-I262 HydrophobicContact CZ-CD1 4.45Å; F234-I262 HydrophobicContact CZ-CG2 3.64Å; I262-V285 HydrophobicContact CB-CB 4.2Å; I262-V285 HydrophobicContact CD1-CB 4.45Å; I262-V285 HydrophobicContact CD1-CG1 4.2Å; I262-V285 HydrophobicContact CG1-CB 4.07Å; I262-V285 HydrophobicContact CG1-CG1 4.12Å
263	N	92.6	Very high	85.7	Confident	2 Å²	2	38.9 Å²	38.9	1%	0.011	19%	0.192	C	C	.	.			trans	-157.8	135.3	175.5	-170.5	-31.2	0	0	0	109	G125 P127 M235 E265 I266 V285 R286	G125-N263 PolarHBondContact O-ND2 3.04Å; P127-N263 HydrophobicContact CG-CB 4.15Å; M235-N263 PolarHBondContact O-ND2 3.43Å; N263-E265 PolarHBondContact O-N 2.73Å; N263-E265 PolarHBondContact OD1-N 3.38Å; N263-I266 HydrophobicContact CB-CD1 4.16Å; N263-I266 HydrophobicContact CB-CG1 4.01Å; N263-V285 PolarHBondContact N-O 3.02Å; N263-V285 VanDerWaalsContact N-O 3.14Å; N263-R286 WeakPolarHBondContact O-CA 3.14Å
264	E	90.8	Very high	86.3	Confident	4 Å²	4	38.3 Å²	38.3	2%	0.019	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-34.4	178.4	-62.9	-175.6	162	0	0	112.3	R128 R148 L153 Q287 I323 F399	R128-E264 IonicContact CZ-OE1 3.79Å; R128-E264 IonicContact CZ-OE2 3.71Å; R128-E264 IonicContact NE-OE1 3.31Å; R128-E264 PolarHBondContact NE-OE1 2.96Å; R128-E264 IonicContact NE-OE2 3.97Å; R128-E264 PolarHBondContact NE-OE2 2.98Å; R128-E264 IonicContact NH2-OE1 3.14Å; R128-E264 PolarHBondContact NH2-OE1 3.26Å; R128-E264 IonicContact NH2-OE2 2.68Å; R128-E264 PolarHBondContact NH2-OE2 3.06Å; R148-E264 IonicContact CZ-OE2 2.71Å; R148-E264 IonicContact NE-OE2 2.85Å; R148-E264 IonicContact NH2-OE2 2.77Å; R148-E264 PolarHBondContact NH2-OE2 3.48Å; L153-E264 HydrophobicContact CD2-CG 4.05Å; E264-Q287 HydrophobicContact CB-CB 4.05Å; E264-Q287 HydrophobicContact CG-CB 4.47Å; E264-Q287 PolarHBondContact O-N 3.08Å; E264-I323 HydrophobicContact CB-CD1 4.47Å; E264-I323 WeakPolarHBondContact O-CD1 3.5Å; E264-F399 HydrophobicContact CG-CE1 4.15Å; E264-F399 HydrophobicContact CG-CZ 4.34Å
265	E	87.1	Confident	86.9	Confident	39 Å²	39	36.8 Å²	36.8	18%	0.182	18%	0.176	C	C	.	.	T	Hydrogen-bonded Turn	trans	-105.9	50.8	-163.3	-67	179.3	-161.1	0	0	113.3	R148 N263 I323	R148-E265 IonicContact CZ-OE1 2.7Å; R148-E265 IonicContact NH1-OE1 3.86Å; R148-E265 PolarHBondContact NH1-OE1 2.74Å; R148-E265 IonicContact NH2-OE1 3.41Å; R148-E265 PolarHBondContact NH2-OE1 2.85Å; N263-E265 PolarHBondContact O-N 2.73Å; N263-E265 PolarHBondContact OD1-N 3.38Å; E265-I323 HydrophobicContact CG-CB 4.02Å; E265-I323 HydrophobicContact CG-CD1 3.76Å; E265-I323 HydrophobicContact CG-CG1 3.91Å
266	I	89.7	Confident	87.7	Confident	9 Å²	9	37.8 Å²	37.8	5%	0.046	18%	0.184	C	C	.	.			trans	-96.3	110.5	176.7	-57.5	172	0	0	0	110.8	P237 L261 N263 D270 L284 R286	P237-I266 HydrophobicContact CG-CG1 4.4Å; L261-I266 HydrophobicContact CD2-CD1 3.92Å; L261-I266 HydrophobicContact CG-CD1 4Å; N263-I266 HydrophobicContact CB-CD1 4.16Å; N263-I266 HydrophobicContact CB-CG1 4.01Å; I266-D270 HydrophobicContact CG2-CB 4.19Å; I266-L284 HydrophobicContact CD1-CD2 4.49Å; I266-L284 HydrophobicContact CG2-CD2 4.35Å; I266-R286 HydrophobicContact CB-CB 4.04Å; I266-R286 HydrophobicContact CD1-CB 4.3Å; I266-R286 HydrophobicContact CG1-CB 4.39Å; I266-R286 VanDerWaalsContact O-CD 3.25Å; I266-R286 WeakPolarHBondContact O-CD 3.37Å; I266-R286 PolarHBondContact O-NH1 3.48Å
267	S	86.2	Confident	88.4	Confident	42 Å²	42	38.1 Å²	38.1	29%	0.294	18%	0.182	S	C	.	.			trans	-74.3	163.3	177.2	80	0	0	0	0	112.9	Y269 D270 L271	S267-Y269 PolarHBondContact O-N 2.97Å; S267-Y269 PolarHBondContact OG-N 3.49Å; S267-D270 VanDerWaalsContact CB-OD2 3.26Å; S267-D270 WeakPolarHBondContact CB-OD2 3.44Å; S267-D270 PolarHBondContact N-OD2 2.96Å; S267-D270 VanDerWaalsContact N-OD2 3.15Å; S267-D270 PolarHBondContact O-N 3.43Å; S267-D270 PolarHBondContact OG-N 2.97Å; S267-D270 VanDerWaalsContact OG-N 3.15Å; S267-D270 PolarHBondContact OG-OD2 2.91Å; S267-L271 WeakPolarHBondContact O-CB 3.4Å; S267-L271 PolarHBondContact O-N 3.19Å
268	D	84.1	Confident	88.4	Confident	109 Å²	109	38.1 Å²	38.1	58%	0.583	18%	0.183	S	C	*	.	H	α-helix	trans	-64.8	-26	174.8	-63.8	-34.4	0	0	0	112.7	Q272 R286	D268-Q272 PolarHBondContact O-N 3.46Å; D268-R286 IonicContact OD1-CZ 2.65Å; D268-R286 VanDerWaalsContact OD1-CZ 3.23Å; D268-R286 IonicContact OD1-NH1 3.62Å; D268-R286 PolarHBondContact OD1-NH1 3.29Å; D268-R286 IonicContact OD1-NH2 2.75Å; D268-R286 PolarHBondContact OD1-NH2 2.9Å
269	Y	85.1	Confident	87.9	Confident	163 Å²	163	40 Å²	40	64%	0.639	19%	0.193	S	C	*	.	H	α-helix	trans	-69.8	-44.4	171.7	176.2	-92.5	0	0	0	111.1	S267 Q272 E273	S267-Y269 PolarHBondContact O-N 2.97Å; S267-Y269 PolarHBondContact OG-N 3.49Å; Y269-Q272 PolarHBondContact O-N 2.99Å; Y269-E273 WeakPolarHBondContact CE1-OE2 3.45Å; Y269-E273 PolarHBondContact O-N 3.39Å; Y269-E273 VanDerWaalsContact O-N 3.1Å
270	D	87.9	Confident	87.1	Confident	27 Å²	27	39.7 Å²	39.7	14%	0.144	19%	0.194	C	C	.	.	H	α-helix	trans	-64.4	-44.4	178.2	-55.6	-49.2	0	0	0	111.4	P237 K241 I266 S267 Q272 E273 L274	P237-D270 HydrophobicContact CB-CB 4.06Å; K241-D270 WeakPolarHBondContact CE-OD1 3.29Å; K241-D270 IonicContact NZ-OD1 2.75Å; K241-D270 PolarHBondContact NZ-OD1 3.39Å; I266-D270 HydrophobicContact CG2-CB 4.19Å; S267-D270 VanDerWaalsContact CB-OD2 3.26Å; S267-D270 WeakPolarHBondContact CB-OD2 3.44Å; S267-D270 PolarHBondContact N-OD2 2.96Å; S267-D270 VanDerWaalsContact N-OD2 3.15Å; S267-D270 PolarHBondContact O-N 3.43Å; S267-D270 PolarHBondContact OG-N 2.97Å; S267-D270 VanDerWaalsContact OG-N 3.15Å; S267-D270 PolarHBondContact OG-OD2 2.91Å; D270-Q272 VanDerWaalsContact C-N 3.33Å; D270-Q272 PolarHBondContact O-N 3.35Å; D270-E273 PolarHBondContact O-N 3.34Å; D270-L274 HydrophobicContact CB-CD1 4.36Å; D270-L274 VanDerWaalsContact O-CB 3.28Å; D270-L274 WeakPolarHBondContact O-CB 3.45Å; D270-L274 WeakPolarHBondContact O-CD1 3.3Å; D270-L274 WeakPolarHBondContact O-CG 3.29Å; D270-L274 PolarHBondContact O-N 2.88Å
271	L	88.2	Confident	86.6	Confident	18 Å²	18	42.9 Å²	42.9	9%	0.094	21%	0.206	C	C	.	.	H	α-helix	trans	-51.1	-50.2	174.3	176.5	63.9	0	0	0	111.7	S267 V275 L284 L402 V414	S267-L271 WeakPolarHBondContact O-CB 3.4Å; S267-L271 PolarHBondContact O-N 3.19Å; L271-V275 HydrophobicContact CD1-CG2 4.35Å; L271-V275 WeakPolarHBondContact O-CB 3.38Å; L271-V275 VanDerWaalsContact O-CG2 3.23Å; L271-V275 WeakPolarHBondContact O-CG2 3.25Å; L271-V275 PolarHBondContact O-N 2.93Å; L271-V275 VanDerWaalsContact O-N 3.16Å; L271-L284 HydrophobicContact CD1-CD1 3.7Å; L271-L284 HydrophobicContact CD1-CD2 3.69Å; L271-L284 HydrophobicContact CD1-CG 4.19Å; L271-L402 HydrophobicContact CD1-CD1 3.89Å; L271-L402 HydrophobicContact CD2-CD1 3.71Å; L271-L402 HydrophobicContact CG-CD1 4.47Å; L271-V414 HydrophobicContact CD1-CG1 4.16Å; L271-V414 HydrophobicContact CD1-CG2 4.08Å; L271-V414 HydrophobicContact CD2-CG1 4.38Å; L271-V414 HydrophobicContact CG-CG2 4.25Å
272	Q	86.1	Confident	86.3	Confident	106 Å²	106	43 Å²	43	50%	0.495	21%	0.206	S	C	.	.	H	α-helix	trans	-67.4	-39.2	-178.7	-173.6	60.5	75.7	0	0	112.5	D268 Y269 D270 M276	D268-Q272 PolarHBondContact O-N 3.46Å; Y269-Q272 PolarHBondContact O-N 2.99Å; D270-Q272 VanDerWaalsContact C-N 3.33Å; D270-Q272 PolarHBondContact O-N 3.35Å; Q272-M276 VanDerWaalsContact O-CG 3.23Å; Q272-M276 WeakPolarHBondContact O-CG 3.21Å; Q272-M276 PolarHBondContact O-N 2.96Å
273	E	87.3	Confident	86.2	Confident	47 Å²	47	43 Å²	43	22%	0.22	21%	0.206	C	C	.	.	H	α-helix	trans	-70.6	-44.1	179.5	-160.9	-163.7	138.4	0	0	112	K241 Y269 D270 V275 M276 K277	K241-E273 WeakPolarHBondContact CD-OE2 3.37Å; K241-E273 VanDerWaalsContact CE-OE2 3.29Å; K241-E273 WeakPolarHBondContact CE-OE2 3.42Å; K241-E273 IonicContact NZ-OE2 3.63Å; K241-E273 PolarHBondContact NZ-OE2 3.29Å; Y269-E273 WeakPolarHBondContact CE1-OE2 3.45Å; Y269-E273 PolarHBondContact O-N 3.39Å; Y269-E273 VanDerWaalsContact O-N 3.1Å; D270-E273 PolarHBondContact O-N 3.34Å; E273-V275 VanDerWaalsContact C-N 3.34Å; E273-V275 PolarHBondContact O-N 2.91Å; E273-M276 PolarHBondContact O-N 3.48Å; E273-K277 HydrophobicContact CG-CD 4.22Å; E273-K277 WeakPolarHBondContact O-CG 3.44Å; E273-K277 PolarHBondContact O-N 2.94Å; E273-K277 VanDerWaalsContact O-N 3.12Å; E273-K277 WeakPolarHBondContact OE1-CE 3.26Å; E273-K277 IonicContact OE1-NZ 3.61Å; E273-K277 PolarHBondContact OE1-NZ 3.24Å
274	L	89.7	Confident	86.3	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-57.8	-46	177.2	-74.8	163.3	0	0	0	111.4	A240 K241 I244 L261 D270 K277 S278 L282 L284	A240-L274 HydrophobicContact CB-CD2 3.99Å; K241-L274 HydrophobicContact CB-CD2 4.44Å; K241-L274 HydrophobicContact CG-CD2 3.67Å; K241-L274 HydrophobicContact CG-CG 3.95Å; I244-L274 HydrophobicContact CD1-CD2 3.73Å; L261-L274 HydrophobicContact CD2-CD1 3.51Å; L261-L274 HydrophobicContact CD2-CD2 4.28Å; D270-L274 HydrophobicContact CB-CD1 4.36Å; D270-L274 VanDerWaalsContact O-CB 3.28Å; D270-L274 WeakPolarHBondContact O-CB 3.45Å; D270-L274 WeakPolarHBondContact O-CD1 3.3Å; D270-L274 WeakPolarHBondContact O-CG 3.29Å; D270-L274 PolarHBondContact O-N 2.88Å; L274-K277 PolarHBondContact O-N 3.38Å; L274-S278 WeakPolarHBondContact O-CB 3.37Å; L274-S278 PolarHBondContact O-N 3.05Å; L274-S278 PolarHBondContact O-OG 3.45Å; L274-L282 HydrophobicContact CB-CD2 4.01Å; L274-L284 HydrophobicContact CD1-CD2 3.86Å
275	V	86.6	Confident	86.5	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-72.1	-30	-177.5	167.2	0	0	0	0	113.1	L271 E273 S278 L282 L284 T404 R412 V414	L271-V275 HydrophobicContact CD1-CG2 4.35Å; L271-V275 WeakPolarHBondContact O-CB 3.38Å; L271-V275 VanDerWaalsContact O-CG2 3.23Å; L271-V275 WeakPolarHBondContact O-CG2 3.25Å; L271-V275 PolarHBondContact O-N 2.93Å; L271-V275 VanDerWaalsContact O-N 3.16Å; E273-V275 VanDerWaalsContact C-N 3.34Å; E273-V275 PolarHBondContact O-N 2.91Å; V275-S278 PolarHBondContact O-OG 3.18Å; V275-L282 HydrophobicContact CG2-CD2 4.14Å; V275-L284 HydrophobicContact CG2-CD1 4.15Å; V275-T404 HydrophobicContact CB-CG2 4.4Å; V275-T404 HydrophobicContact CG1-CG2 3.86Å; V275-T404 HydrophobicContact CG2-CG2 3.89Å; V275-R412 HydrophobicContact CG1-CB 3.83Å; V275-R412 WeakPolarHBondContact CG1-O 3.32Å; V275-R412 WeakPolarHBondContact O-CD 3.46Å; V275-R412 PolarHBondContact O-NE 2.84Å; V275-V414 HydrophobicContact CB-CG2 4.26Å; V275-V414 HydrophobicContact CG1-CG2 4.02Å; V275-V414 HydrophobicContact CG2-CG2 3.7Å
276	M	84.1	Confident	86.7	Confident	119 Å²	119	42.2 Å²	42.2	59%	0.586	20%	0.202	S	C	*	.	H	α-helix	trans	-67.6	-42.2	170.7	-72.1	-66.5	-70.3	0	0	111.1	Q272 E273 R412	Q272-M276 VanDerWaalsContact O-CG 3.23Å; Q272-M276 WeakPolarHBondContact O-CG 3.21Å; Q272-M276 PolarHBondContact O-N 2.96Å; E273-M276 PolarHBondContact O-N 3.48Å; M276-R412 PolarHBondContact O-NH2 3.42Å
277	K	84.9	Confident	86.8	Confident	70 Å²	70	42.3 Å²	42.3	30%	0.304	20%	0.202	S	C	.	.	H	α-helix	trans	-76.8	-38	-176.4	-72.9	174.5	160.9	-175.3	0	114.5	I244 T245 E273 L274 I279	I244-K277 HydrophobicContact CG2-CB 4.03Å; T245-K277 WeakPolarHBondContact OG1-CD 3.39Å; T245-K277 WeakPolarHBondContact OG1-CE 3.04Å; T245-K277 PolarHBondContact OG1-NZ 2.85Å; T245-K277 VanDerWaalsContact OG1-NZ 3.1Å; E273-K277 HydrophobicContact CG-CD 4.22Å; E273-K277 WeakPolarHBondContact O-CG 3.44Å; E273-K277 PolarHBondContact O-N 2.94Å; E273-K277 VanDerWaalsContact O-N 3.12Å; E273-K277 WeakPolarHBondContact OE1-CE 3.26Å; E273-K277 IonicContact OE1-NZ 3.61Å; E273-K277 PolarHBondContact OE1-NZ 3.24Å; L274-K277 PolarHBondContact O-N 3.38Å; K277-I279 PolarHBondContact O-N 2.98Å
278	S	83.2	Confident	87	Confident	8 Å²	8	42.2 Å²	42.2	6%	0.056	20%	0.197	C	C	.	.			trans	-65.4	123.6	179.5	59.1	0	0	0	0	111.8	L274 V275 R412	L274-S278 WeakPolarHBondContact O-CB 3.37Å; L274-S278 PolarHBondContact O-N 3.05Å; L274-S278 PolarHBondContact O-OG 3.45Å; V275-S278 PolarHBondContact O-OG 3.18Å; S278-R412 PolarHBondContact O-NE 2.94Å; S278-R412 VanDerWaalsContact O-NE 3.1Å; S278-R412 PolarHBondContact O-NH1 3.5Å; S278-R412 PolarHBondContact O-NH2 2.92Å; S278-R412 VanDerWaalsContact O-NH2 3.13Å
279	I	76.9	Confident	87.1	Confident	62 Å²	62	38.4 Å²	38.4	32%	0.318	18%	0.176	S	C	.	.	S	Bend	trans	-72.1	-52.9	175.8	-67	-179.2	0	0	0	111.5	V248 F255 K277 R412	V248-I279 HydrophobicContact CB-CD1 4.39Å; V248-I279 HydrophobicContact CG1-CD1 3.68Å; V248-I279 HydrophobicContact CG1-CG1 3.92Å; V248-I279 HydrophobicContact CG2-CD1 4.12Å; V248-I279 HydrophobicContact CG2-CG1 3.92Å; F255-I279 HydrophobicContact CB-CG2 4.19Å; K277-I279 PolarHBondContact O-N 2.98Å; I279-R412 PolarHBondContact O-NH1 3.15Å
280	G	75.3	Confident	86.8	Confident	8 Å²	8	32.8 Å²	32.8	8%	0.082	16%	0.159	C	C	.	.	S	Bend	trans	-84.8	-168.6	-177.4	0	0	0	0	0	114.8	F255 C257 L282 Y406	F255-G280 VanDerWaalsContact O-CA 3.28Å; F255-G280 WeakPolarHBondContact O-CA 3.32Å; C257-G280 CarbonylContact O-C 3.6Å; C257-G280 WeakPolarHBondContact O-CA 3.43Å; G280-L282 PolarHBondContact O-N 2.9Å; G280-Y406 VanDerWaalsContact C-OH 3.23Å; G280-Y406 PolarHBondContact O-OH 2.68Å
281	R	83.8	Confident	86	Confident	68 Å²	68	35 Å²	35	26%	0.257	17%	0.17	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	117.3	-178.4	179.2	178.8	175.3	150.5	1.8	110.7	Y164 C257 H258 W259 Y406 L430	Y164-R281 VanDerWaalsContact CE1-NH2 3.33Å; Y164-R281 PolarHBondContact OH-NH2 3.22Å; C257-R281 PolarHBondContact O-N 3.33Å; H258-R281 CarbonylContact C-O 3.59Å; H258-R281 VanDerWaalsContact CA-O 3.32Å; H258-R281 WeakPolarHBondContact CA-O 3.46Å; H258-R281 HydrophobicContact CB-CB 4.31Å; H258-R281 PolarHBondContact CD2-O 3.47Å; W259-R281 PolarHBondContact N-O 3.29Å; R281-Y406 PolarHBondContact N-OH 3.38Å; R281-L430 PolarHBondContact NH2-O 3.1Å
282	L	90	Very high	84.9	Confident	1 Å²	1	36.2 Å²	36.2	1%	0.005	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	128.6	173.3	-174.2	64.2	0	0	0	110.2	W259 L274 V275 G280 L284 T404	W259-L282 HydrophobicContact CB-CD1 4.15Å; L274-L282 HydrophobicContact CB-CD2 4.01Å; V275-L282 HydrophobicContact CG2-CD2 4.14Å; G280-L282 PolarHBondContact O-N 2.9Å; L282-L284 HydrophobicContact CD2-CD1 3.85Å; L282-L284 HydrophobicContact CD2-CD2 4.21Å; L282-L284 HydrophobicContact CD2-CG 4.1Å; L282-L284 HydrophobicContact CG-CD1 3.77Å; L282-L284 HydrophobicContact CG-CG 4.04Å; L282-T404 HydrophobicContact CB-CG2 3.81Å; L282-T404 PolarHBondContact N-OG1 2.86Å; L282-T404 VanDerWaalsContact N-OG1 3.1Å; L282-T404 PolarHBondContact O-N 3.46Å; L282-T404 PolarHBondContact O-OG1 2.86Å
283	T	91.8	Very high	83.8	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	134.6	166.3	-51.6	0	0	0	0	108	Y164 H258 W259 I260 L261 I401 L402	Y164-T283 HydrophobicContact CE2-CG2 4.24Å; Y164-T283 PolarHBondContact OH-OG1 2.84Å; H258-T283 PolarHBondContact NE2-OG1 3.49Å; W259-T283 PolarHBondContact O-N 3.11Å; I260-T283 CarbonylContact C-O 3.27Å; I260-T283 WeakPolarHBondContact CA-O 3.39Å; L261-T283 PolarHBondContact N-O 2.95Å; T283-I401 HydrophobicContact CG2-CG2 3.8Å; T283-L402 CarbonylContact C-O 3.59Å; T283-L402 VanDerWaalsContact CA-O 3.3Å; T283-L402 WeakPolarHBondContact CA-O 3.47Å
284	L	93.6	Very high	82.7	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	134.4	177.2	-54.1	93.1	0	0	0	110	L261 I266 L271 L274 V275 L282 L402	L261-L284 HydrophobicContact CD2-CD2 4.28Å; L261-L284 WeakPolarHBondContact O-CA 3.46Å; I266-L284 HydrophobicContact CD1-CD2 4.49Å; I266-L284 HydrophobicContact CG2-CD2 4.35Å; L271-L284 HydrophobicContact CD1-CD1 3.7Å; L271-L284 HydrophobicContact CD1-CD2 3.69Å; L271-L284 HydrophobicContact CD1-CG 4.19Å; L274-L284 HydrophobicContact CD1-CD2 3.86Å; V275-L284 HydrophobicContact CG2-CD1 4.15Å; L282-L284 HydrophobicContact CD2-CD1 3.85Å; L282-L284 HydrophobicContact CD2-CD2 4.21Å; L282-L284 HydrophobicContact CD2-CG 4.1Å; L282-L284 HydrophobicContact CG-CD1 3.77Å; L282-L284 HydrophobicContact CG-CG 4.04Å; L284-L402 HydrophobicContact CB-CB 4.4Å; L284-L402 PolarHBondContact N-O 2.88Å; L284-L402 PolarHBondContact O-N 3.41Å
285	V	94.4	Very high	81.4	Confident	0 Å²	0	46 Å²	46	0%	0	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.5	177.4	-179.7	0	0	0	0	108.2	V156 V160 I260 L261 I262 N263 F399 I401	V156-V285 HydrophobicContact CG1-CG1 3.56Å; V160-V285 HydrophobicContact CG2-CG2 4.39Å; I260-V285 HydrophobicContact CG2-CG2 4.38Å; L261-V285 PolarHBondContact O-N 3.42Å; I262-V285 HydrophobicContact CB-CB 4.2Å; I262-V285 HydrophobicContact CD1-CB 4.45Å; I262-V285 HydrophobicContact CD1-CG1 4.2Å; I262-V285 HydrophobicContact CG1-CB 4.07Å; I262-V285 HydrophobicContact CG1-CG1 4.12Å; N263-V285 PolarHBondContact N-O 3.02Å; N263-V285 VanDerWaalsContact N-O 3.14Å; V285-F399 HydrophobicContact CG1-CD1 3.95Å; V285-I401 HydrophobicContact CG2-CG1 4.26Å; V285-I401 HydrophobicContact CG2-CG2 4.36Å
286	R	92.9	Very high	80.2	Confident	28 Å²	28	51.4 Å²	51.4	11%	0.106	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	159	-179.9	69.7	175.3	-177.2	178.9	-0.2	113.3	N263 I266 D268 F399 E400	N263-R286 WeakPolarHBondContact O-CA 3.14Å; I266-R286 HydrophobicContact CB-CB 4.04Å; I266-R286 HydrophobicContact CD1-CB 4.3Å; I266-R286 HydrophobicContact CG1-CB 4.39Å; I266-R286 VanDerWaalsContact O-CD 3.25Å; I266-R286 WeakPolarHBondContact O-CD 3.37Å; I266-R286 PolarHBondContact O-NH1 3.48Å; D268-R286 IonicContact OD1-CZ 2.65Å; D268-R286 VanDerWaalsContact OD1-CZ 3.23Å; D268-R286 IonicContact OD1-NH1 3.62Å; D268-R286 PolarHBondContact OD1-NH1 3.29Å; D268-R286 IonicContact OD1-NH2 2.75Å; D268-R286 PolarHBondContact OD1-NH2 2.9Å; R286-F399 VanDerWaalsContact O-CA 3.3Å; R286-F399 WeakPolarHBondContact O-CA 3.26Å; R286-F399 WeakPolarHBondContact O-CD1 3.34Å; R286-E400 HydrophobicContact CG-CG 3.96Å; R286-E400 IonicContact CZ-OE1 2.63Å; R286-E400 VanDerWaalsContact CZ-OE1 3.26Å; R286-E400 PolarHBondContact N-O 2.81Å; R286-E400 IonicContact NE-OE1 3.42Å; R286-E400 PolarHBondContact NE-OE1 3.07Å; R286-E400 IonicContact NH2-OE1 3.99Å; R286-E400 PolarHBondContact NH2-OE1 3Å; R286-E400 PolarHBondContact O-N 3.4Å
287	Q	91.4	Very high	79.2	Confident	11 Å²	11	50.6 Å²	50.6	5%	0.051	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	139.1	174.3	-173.2	178.8	2.6	0	0	109.9	E264 F289 I323 Y327 I397	E264-Q287 HydrophobicContact CB-CB 4.05Å; E264-Q287 HydrophobicContact CG-CB 4.47Å; E264-Q287 PolarHBondContact O-N 3.08Å; Q287-F289 HydrophobicContact CG-CZ 4.38Å; Q287-I323 HydrophobicContact CB-CD1 4Å; Q287-I323 HydrophobicContact CG-CD1 4.47Å; Q287-Y327 PolarHBondContact NE2-OH 3.29Å; Q287-I397 HydrophobicContact CG-CG1 4.29Å
288	M	89.2	Confident	78.5	Confident	40 Å²	40	50.2 Å²	50.2	20%	0.197	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	154	174	67	164.8	-67.3	0	0	111.9	F398 E400 T419	M288-F398 HydrophobicContact CG-CB 3.79Å; M288-F398 PolarHBondContact N-O 3.19Å; M288-E400 HydrophobicContact CB-CB 4.5Å; M288-E400 HydrophobicContact CB-CG 4.15Å; M288-E400 HydrophobicContact CG-CB 4.33Å; M288-E400 HydrophobicContact SD-CB 3.88Å; M288-E400 HydrophobicContact SD-CG 4.47Å; M288-T419 HydrophobicContact SD-CG2 3.91Å
289	F	86.7	Confident	78	Confident	30 Å²	30	50.5 Å²	50.5	13%	0.132	26%	0.26	C	S	.	.			trans	-112.7	114.5	174.2	-61.8	-72.2	0	0	0	109.7	Q287 M291 I323 Y327 T383	Q287-F289 HydrophobicContact CG-CZ 4.38Å; F289-M291 PolarHBondContact O-N 3.23Å; F289-M291 VanDerWaalsContact O-N 3.1Å; F289-I323 HydrophobicContact CE2-CD1 4.24Å; F289-I323 HydrophobicContact CE2-CG1 4.17Å; F289-I323 HydrophobicContact CZ-CD1 4.42Å; F289-I323 HydrophobicContact CZ-CG1 4.45Å; F289-I323 HydrophobicContact CZ-CG2 4.02Å; F289-Y327 HydrophobicContact CE1-CE2 4.25Å; F289-Y327 HydrophobicContact CZ-CE2 4.12Å; F289-T383 HydrophobicContact CD1-CG2 4.3Å; F289-T383 HydrophobicContact CE1-CG2 3.89Å; F289-T383 HydrophobicContact CZ-CG2 4.39Å
290	P	79.3	Confident	77.8	Confident	45 Å²	45	50.7 Å²	50.7	29%	0.292	26%	0.264	S	S	.	.			trans	-60.6	112.9	179.3	-25.9	35.2	0	0	0	112	S384 F398	P290-S384 VanDerWaalsContact O-CB 3.25Å; P290-S384 WeakPolarHBondContact O-CB 3.41Å; P290-S384 PolarHBondContact O-OG 2.65Å; P290-F398 HydrophobicContact CG-CB 4.43Å; P290-F398 HydrophobicContact CG-CD1 4.35Å; P290-F398 HydrophobicContact CG-CD2 3.51Å; P290-F398 HydrophobicContact CG-CE2 3.78Å; P290-F398 HydrophobicContact CG-CG 3.83Å; P290-F398 HydrophobicContact CG-CZ 4.32Å
291	M	71	Confident	77.5	Confident	73 Å²	73	51.3 Å²	51.3	36%	0.36	26%	0.264	S	S	.	.			trans	-112.1	134.7	-175.1	-82	-81.4	-101	0	0	111.6	F289 R298	F289-M291 PolarHBondContact O-N 3.23Å; F289-M291 VanDerWaalsContact O-N 3.1Å; M291-R298 HydrophobicContact CE-CB 4.15Å; M291-R298 HydrophobicContact CE-CG 4.26Å
292	P	65.1	Low	76.5	Confident	43 Å²	43	56 Å²	56	28%	0.279	29%	0.288	S	S	.	.			trans	-66.6	142.6	177.9	27.3	-33.6	0	0	0	111.5	N294 Q297 R298	P292-N294 PolarHBondContact O-N 2.85Å; P292-Q297 HydrophobicContact CB-CB 4.47Å; P292-Q297 HydrophobicContact CG-CB 4.29Å; P292-Q297 VanDerWaalsContact CG-O 3.29Å; P292-Q297 WeakPolarHBondContact CG-O 3.45Å; P292-R298 HydrophobicContact CG-CG 4.33Å; P292-R298 WeakPolarHBondContact O-CG 3.27Å; P292-R298 PolarHBondContact O-NE 3.01Å
293	Q	62.4	Low	75.3	Confident	177 Å²	177	61.9 Å²	61.9	83%	0.827	32%	0.32	S	S	*	.	S	Bend	trans	-62.9	-39.3	-173.2	-65.7	-175.3	-3.6	0	0	112.5	T295 R298	Q293-T295 PolarHBondContact O-N 2.81Å; Q293-R298 PolarHBondContact O-NH2 2.95Å
294	N	65.4	Low	74.3	Confident	95 Å²	95	62.2 Å²	62.2	51%	0.508	32%	0.322	S	S	.	.	S	Bend	trans	-69.3	118.2	179.7	-69.3	-38	0	0	0	112.4	P292 T296 Q297 R298	P292-N294 PolarHBondContact O-N 2.85Å; N294-T296 VanDerWaalsContact C-N 3.25Å; N294-T296 PolarHBondContact O-N 3.43Å; N294-Q297 HydrophobicContact CB-CB 4.22Å; N294-Q297 HydrophobicContact CB-CG 4.19Å; N294-Q297 PolarHBondContact ND2-OE1 3.42Å; N294-Q297 PolarHBondContact O-N 2.78Å; N294-R298 PolarHBondContact O-N 2.96Å
295	T	62.3	Low	73.4	Confident	88 Å²	88	70.8 Å²	70.8	54%	0.54	35%	0.354	S	S	.	.	G	3₁₀ helix	trans	-54.3	-38.3	-179.9	-45.5	0	0	0	0	113.4	Q293 Q297 R298	Q293-T295 PolarHBondContact O-N 2.81Å; T295-Q297 VanDerWaalsContact C-N 3.25Å; T295-Q297 PolarHBondContact O-N 3.13Å; T295-R298 WeakPolarHBondContact O-CB 3.39Å; T295-R298 PolarHBondContact O-N 3.37Å
296	T	60.4	Low	72.7	Confident	112 Å²	112	70.9 Å²	70.9	69%	0.687	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-64.2	-26	177.2	46.2	0	0	0	0	113.7	N294	N294-T296 VanDerWaalsContact C-N 3.25Å; N294-T296 PolarHBondContact O-N 3.43Å
297	Q	63.4	Low	72	Confident	103 Å²	103	72 Å²	72	48%	0.481	36%	0.363	S	S	.	.	G	3₁₀ helix	trans	-95.6	2.7	178.2	-63.6	176.2	-44.1	0	0	113.1	P292 N294 T295 K301	P292-Q297 HydrophobicContact CB-CB 4.47Å; P292-Q297 HydrophobicContact CG-CB 4.29Å; P292-Q297 VanDerWaalsContact CG-O 3.29Å; P292-Q297 WeakPolarHBondContact CG-O 3.45Å; N294-Q297 HydrophobicContact CB-CB 4.22Å; N294-Q297 HydrophobicContact CB-CG 4.19Å; N294-Q297 PolarHBondContact ND2-OE1 3.42Å; N294-Q297 PolarHBondContact O-N 2.78Å; T295-Q297 VanDerWaalsContact C-N 3.25Å; T295-Q297 PolarHBondContact O-N 3.13Å; Q297-K301 PolarHBondContact O-NZ 2.78Å
298	R	70.1	Confident	71.3	Confident	61 Å²	61	75 Å²	75	23%	0.23	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-47.8	172.3	-62.3	-179.6	-166.4	179.1	7.6	111.4	M291 P292 Q293 N294 T295 K301	M291-R298 HydrophobicContact CE-CB 4.15Å; M291-R298 HydrophobicContact CE-CG 4.26Å; P292-R298 HydrophobicContact CG-CG 4.33Å; P292-R298 WeakPolarHBondContact O-CG 3.27Å; P292-R298 PolarHBondContact O-NE 3.01Å; Q293-R298 PolarHBondContact O-NH2 2.95Å; N294-R298 PolarHBondContact O-N 2.96Å; T295-R298 WeakPolarHBondContact O-CB 3.39Å; T295-R298 PolarHBondContact O-N 3.37Å; R298-K301 WeakPolarHBondContact O-CE 3.37Å
299	C	73.2	Confident	70.8	Confident	15 Å²	15	74.9 Å²	74.9	10%	0.101	39%	0.385	C	S	.	.	S	Bend	trans	-93.9	-4.9	-175.7	-69.8	0	0	0	0	115.2	I306 C311	C299-I306 PolarHBondContact O-N 3.24Å; C299-C311 WeakPolarHBondContact CA-SG 3.33Å; C299-C311 HydrophobicContact CB-CB 4.03Å; C299-C311 WeakPolarHBondContact CB-SG 3.41Å; C299-C311 WeakPolarHBondContact SG-CB 3.11Å; C299-C311 CovalentContact SG-SG 2.03Å; C299-C311 PolarHBondContact SG-SG 2.87Å
300	V	72.5	Confident	70.4	Confident	66 Å²	66	73.7 Å²	73.7	40%	0.4	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	122.1	174.4	-175.5	0	0	0	0	108.5	H304 R305	V300-H304 CarbonylContact C-O 3.54Å; V300-H304 WeakPolarHBondContact CA-O 3.34Å; V300-R305 HydrophobicContact CG2-CB 4.47Å; V300-R305 HydrophobicContact CG2-CG 4.28Å
301	K	69.3	Low	70.2	Confident	21 Å²	21	71.8 Å²	71.8	9%	0.091	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	115.7	-175	-60.2	-60.5	-166.7	-172.4	0	109	Q297 R298 N303 H304 I306 S380	Q297-K301 PolarHBondContact O-NZ 2.78Å; R298-K301 WeakPolarHBondContact O-CE 3.37Å; K301-N303 PolarHBondContact O-N 3.07Å; K301-H304 PolarHBondContact N-O 3.24Å; K301-H304 WeakPolarHBondContact O-CB 3.48Å; K301-H304 PolarHBondContact O-N 2.87Å; K301-I306 HydrophobicContact CG-CD1 3.89Å; K301-S380 WeakPolarHBondContact CB-O 3.45Å; K301-S380 WeakPolarHBondContact CG-O 3.47Å
302	H	63	Low	70.6	Confident	165 Å²	165	70.8 Å²	70.8	76%	0.764	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.6	61.6	178.7	-62.5	96.4	0	0	0	112.7	H304	H302-H304 PolarHBondContact O-N 2.99Å
303	N	63	Low	70.9	Confident	126 Å²	126	71.7 Å²	71.7	67%	0.674	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	62	-27.2	-171.7	-61.7	8.8	0	0	0	117.1	E56 K301 R305	E56-N303 VanDerWaalsContact OE2-CB 3.3Å; E56-N303 WeakPolarHBondContact OE2-CB 3.23Å; K301-N303 PolarHBondContact O-N 3.07Å; N303-R305 PolarHBondContact O-N 2.67Å
304	H	71.4	Confident	71.3	Confident	7 Å²	7	71.6 Å²	71.6	3%	0.032	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	128.6	174	-176	48.8	0	0	0	111.8	N54 I57 V300 K301 H302	N54-H304 PolarHBondContact ND2-ND1 3.03Å; N54-H304 VanDerWaalsContact ND2-ND1 3.14Å; I57-H304 HydrophobicContact CD1-CB 4.09Å; V300-H304 CarbonylContact C-O 3.54Å; V300-H304 WeakPolarHBondContact CA-O 3.34Å; K301-H304 PolarHBondContact N-O 3.24Å; K301-H304 WeakPolarHBondContact O-CB 3.48Å; K301-H304 PolarHBondContact O-N 2.87Å; H302-H304 PolarHBondContact O-N 2.99Å
305	R	75.1	Confident	72	Confident	181 Å²	181	67.9 Å²	67.9	68%	0.683	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.5	104.1	171.9	-178	172.9	-179.2	157.5	-0.3	109.9	V300 N303	V300-R305 HydrophobicContact CG2-CB 4.47Å; V300-R305 HydrophobicContact CG2-CG 4.28Å; N303-R305 PolarHBondContact O-N 2.67Å
306	I	80	Confident	72.7	Confident	1 Å²	1	68 Å²	68	1%	0.005	35%	0.35	C	S	.	.			trans	-66.2	143.2	172.9	-60	176.2	0	0	0	109	C299 K301 T308 L310 C311 Y329 L382	C299-I306 PolarHBondContact O-N 3.24Å; K301-I306 HydrophobicContact CG-CD1 3.89Å; I306-T308 PolarHBondContact O-N 3.04Å; I306-L310 HydrophobicContact CG2-CB 4.45Å; I306-C311 HydrophobicContact CB-CB 4.46Å; I306-C311 HydrophobicContact CG2-CB 3.96Å; I306-Y329 HydrophobicContact CD1-CE1 4.41Å; I306-Y329 HydrophobicContact CG1-CE1 4.1Å; I306-Y329 HydrophobicContact CG2-CE1 3.99Å; I306-L382 HydrophobicContact CD1-CD2 4.44Å; I306-L382 HydrophobicContact CG2-CD2 3.99Å
307	N	78	Confident	73.5	Confident	52 Å²	52	67.2 Å²	67.2	28%	0.278	34%	0.337	S	S	.	.			trans	-58.8	126.1	177.8	-172.3	-26	0	0	0	111.7	D50 S309 L310 C311	D50-N307 VanDerWaalsContact OD2-CB 3.29Å; D50-N307 WeakPolarHBondContact OD2-CB 3.21Å; N307-S309 PolarHBondContact O-N 3.18Å; N307-S309 PolarHBondContact OD1-N 3.4Å; N307-S309 PolarHBondContact OD1-OG 3.39Å; N307-L310 HydrophobicContact CB-CD1 4.33Å; N307-L310 HydrophobicContact CB-CG 4.46Å; N307-L310 PolarHBondContact O-N 3.49Å; N307-C311 PolarHBondContact O-N 2.89Å; N307-C311 PolarHBondContact O-SG 2.89Å
308	T	75.6	Confident	74.1	Confident	75 Å²	75	62.6 Å²	62.6	46%	0.46	32%	0.316	S	S	.	.	H	α-helix	trans	-58.7	-23.5	-173.4	36.9	0	0	0	0	114.4	I306 L310 D312	I306-T308 PolarHBondContact O-N 3.04Å; T308-L310 VanDerWaalsContact C-N 3.25Å; T308-L310 PolarHBondContact O-N 3.22Å; T308-D312 WeakPolarHBondContact O-CB 3.22Å; T308-D312 PolarHBondContact O-N 3.12Å
309	S	78.8	Confident	74.4	Confident	36 Å²	36	65.8 Å²	65.8	25%	0.252	33%	0.334	S	S	.	.	H	α-helix	trans	-77.4	-3.7	175	63.6	0	0	0	0	114.9	N307 S315 K317 A318	N307-S309 PolarHBondContact O-N 3.18Å; N307-S309 PolarHBondContact OD1-N 3.4Å; N307-S309 PolarHBondContact OD1-OG 3.39Å; S309-S315 PolarHBondContact O-OG 3Å; S309-K317 VanDerWaalsContact O-CB 3.24Å; S309-K317 WeakPolarHBondContact O-CB 3.27Å; S309-A318 PolarHBondContact O-N 2.88Å
310	L	78.5	Confident	74.6	Confident	6 Å²	6	71.5 Å²	71.5	3%	0.031	36%	0.359	C	S	.	.	H	α-helix	trans	-108.6	-33.3	177.3	-56.6	178.3	0	0	0	112.4	L46 I306 N307 T308 A318 L321 Y329 L382	L46-L310 HydrophobicContact CD2-CD1 3.87Å; L46-L310 HydrophobicContact CD2-CD2 4.03Å; L46-L310 HydrophobicContact CD2-CG 4.27Å; L46-L310 HydrophobicContact CG-CD1 4.36Å; I306-L310 HydrophobicContact CG2-CB 4.45Å; N307-L310 HydrophobicContact CB-CD1 4.33Å; N307-L310 HydrophobicContact CB-CG 4.46Å; N307-L310 PolarHBondContact O-N 3.49Å; T308-L310 VanDerWaalsContact C-N 3.25Å; T308-L310 PolarHBondContact O-N 3.22Å; L310-A318 WeakPolarHBondContact O-CB 3.35Å; L310-L321 HydrophobicContact CB-CD1 4.3Å; L310-L321 HydrophobicContact CD2-CD1 4.04Å; L310-L321 HydrophobicContact CD2-CD2 4.21Å; L310-Y329 HydrophobicContact CD1-CD2 3.69Å; L310-Y329 HydrophobicContact CD1-CE2 3.42Å; L310-Y329 VanDerWaalsContact CD1-CE2 3.42Å; L310-L382 HydrophobicContact CB-CD1 4.27Å; L310-L382 HydrophobicContact CB-CD2 4.33Å
311	C	76.3	Confident	75.1	Confident	4 Å²	4	69.4 Å²	69.4	3%	0.027	35%	0.346	C	S	.	.	H	α-helix	trans	-102.7	-16.2	-171.9	54.7	0	0	0	0	115.3	C299 I306 N307 P313 L382	C299-C311 WeakPolarHBondContact CA-SG 3.33Å; C299-C311 HydrophobicContact CB-CB 4.03Å; C299-C311 WeakPolarHBondContact CB-SG 3.41Å; C299-C311 WeakPolarHBondContact SG-CB 3.11Å; C299-C311 CovalentContact SG-SG 2.03Å; C299-C311 PolarHBondContact SG-SG 2.87Å; I306-C311 HydrophobicContact CB-CB 4.46Å; I306-C311 HydrophobicContact CG2-CB 3.96Å; N307-C311 PolarHBondContact O-N 2.89Å; N307-C311 PolarHBondContact O-SG 2.89Å; C311-P313 WeakPolarHBondContact O-CD 3.28Å; C311-L382 HydrophobicContact CB-CD2 4.05Å
312	D	77.9	Confident	75.9	Confident	52 Å²	52	70.8 Å²	70.8	28%	0.278	35%	0.352	S	S	.	.			trans	-87.4	113.7	171.3	-175.4	0.4	0	0	0	110.6	T308 K314 S315 A318	T308-D312 WeakPolarHBondContact O-CB 3.22Å; T308-D312 PolarHBondContact O-N 3.12Å; D312-K314 PolarHBondContact O-N 2.98Å; D312-K314 VanDerWaalsContact O-N 3.09Å; D312-K314 WeakPolarHBondContact OD1-CB 3.47Å; D312-K314 PolarHBondContact OD1-N 3.18Å; D312-S315 WeakPolarHBondContact O-CB 3.32Å; D312-S315 PolarHBondContact O-N 3.38Å; D312-S315 PolarHBondContact O-OG 3.44Å; D312-A318 VanDerWaalsContact O-CB 3.23Å; D312-A318 WeakPolarHBondContact O-CB 3.46Å
313	P	71.4	Confident	77.1	Confident	63 Å²	63	63.7 Å²	63.7	41%	0.409	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65	-9.2	177.7	28.7	-36.8	0	0	0	114.2	C311 S315 Q319	C311-P313 WeakPolarHBondContact O-CD 3.28Å; P313-S315 VanDerWaalsContact C-N 3.35Å; P313-Q319 WeakPolarHBondContact O-CG 3.32Å; P313-Q319 PolarHBondContact O-NE2 3.2Å
314	K	72.6	Confident	78.3	Confident	174 Å²	174	57.8 Å²	57.8	76%	0.757	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.4	-12.5	169.5	-62.3	-173.7	177.3	-173.3	0	113.7	D312	D312-K314 PolarHBondContact O-N 2.98Å; D312-K314 VanDerWaalsContact O-N 3.09Å; D312-K314 WeakPolarHBondContact OD1-CB 3.47Å; D312-K314 PolarHBondContact OD1-N 3.18Å
315	S	78.9	Confident	79.2	Confident	17 Å²	17	57.6 Å²	57.6	12%	0.119	29%	0.288	C	S	.	.	S	Bend	trans	-82.4	137.1	-178.1	71.8	0	0	0	0	111.5	S309 D312 P313 K317 A318 Q319	S309-S315 PolarHBondContact O-OG 3Å; D312-S315 WeakPolarHBondContact O-CB 3.32Å; D312-S315 PolarHBondContact O-N 3.38Å; D312-S315 PolarHBondContact O-OG 3.44Å; P313-S315 VanDerWaalsContact C-N 3.35Å; S315-K317 VanDerWaalsContact C-N 3.26Å; S315-K317 PolarHBondContact O-N 2.89Å; S315-A318 PolarHBondContact O-N 2.95Å; S315-A318 WeakPolarHBondContact OG-CB 3.35Å; S315-A318 PolarHBondContact OG-N 3.37Å; S315-Q319 PolarHBondContact O-N 2.8Å
316	P	77.6	Confident	80	Confident	91 Å²	91	51.8 Å²	51.8	59%	0.591	27%	0.266	S	S	*	.	H	α-helix	trans	-59.7	-33.9	-179.1	-27.2	35.3	0	0	0	113.8	Q319 Q320	P316-Q319 PolarHBondContact O-N 2.94Å; P316-Q320 WeakPolarHBondContact O-CG 3.18Å; P316-Q320 PolarHBondContact O-N 3.4Å
317	K	76.5	Confident	80.6	Confident	96 Å²	96	51.8 Å²	51.8	42%	0.417	27%	0.266	S	S	.	.	H	α-helix	trans	-65.2	-46.9	176.1	-81.3	-154.9	172.2	-157.6	0	111.8	E42 S309 S315 Q319 Q320 L321	E42-K317 IonicContact OE1-NZ 3.08Å; E42-K317 PolarHBondContact OE1-NZ 3.41Å; S309-K317 VanDerWaalsContact O-CB 3.24Å; S309-K317 WeakPolarHBondContact O-CB 3.27Å; S315-K317 VanDerWaalsContact C-N 3.26Å; S315-K317 PolarHBondContact O-N 2.89Å; K317-Q319 PolarHBondContact O-N 3.48Å; K317-Q320 PolarHBondContact O-N 3Å; K317-L321 PolarHBondContact O-N 3.15Å
318	A	76.8	Confident	81.4	Confident	5 Å²	5	49.3 Å²	49.3	4%	0.041	25%	0.252	C	S	.	.	H	α-helix	trans	-62.4	-29.3	178.8	0	0	0	0	0	113.7	S309 L310 D312 S315 Q320 R326	S309-A318 PolarHBondContact O-N 2.88Å; L310-A318 WeakPolarHBondContact O-CB 3.35Å; D312-A318 VanDerWaalsContact O-CB 3.23Å; D312-A318 WeakPolarHBondContact O-CB 3.46Å; S315-A318 PolarHBondContact O-N 2.95Å; S315-A318 WeakPolarHBondContact OG-CB 3.35Å; S315-A318 PolarHBondContact OG-N 3.37Å; A318-Q320 VanDerWaalsContact C-N 3.31Å; A318-R326 PolarHBondContact O-NH2 3.23Å
319	Q	75.5	Confident	82.1	Confident	129 Å²	129	45.7 Å²	45.7	60%	0.603	23%	0.23	S	C	*	.	H	α-helix	trans	-74.4	-19.6	174.5	-66.9	175.7	-1.5	0	0	113.2	P313 S315 P316 K317	P313-Q319 WeakPolarHBondContact O-CG 3.32Å; P313-Q319 PolarHBondContact O-NE2 3.2Å; S315-Q319 PolarHBondContact O-N 2.8Å; P316-Q319 PolarHBondContact O-N 2.94Å; K317-Q319 PolarHBondContact O-N 3.48Å
320	Q	78.3	Confident	82.8	Confident	135 Å²	135	44 Å²	44	63%	0.631	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-98.9	1.4	178.2	-67.9	174.8	-3.2	0	0	113.5	P316 K317 A318 E322	P316-Q320 WeakPolarHBondContact O-CG 3.18Å; P316-Q320 PolarHBondContact O-N 3.4Å; K317-Q320 PolarHBondContact O-N 3Å; A318-Q320 VanDerWaalsContact C-N 3.31Å; Q320-E322 PolarHBondContact O-N 2.91Å
321	L	82.1	Confident	83.5	Confident	22 Å²	22	43.7 Å²	43.7	12%	0.115	22%	0.217	C	C	.	.			trans	-77.5	113.2	176.4	-69.4	178.5	0	0	0	111.6	V43 L310 K317 N325 L382	V43-L321 HydrophobicContact CG2-CD2 3.89Å; L310-L321 HydrophobicContact CB-CD1 4.3Å; L310-L321 HydrophobicContact CD2-CD1 4.04Å; L310-L321 HydrophobicContact CD2-CD2 4.21Å; K317-L321 PolarHBondContact O-N 3.15Å; L321-N325 HydrophobicContact CD2-CB 3.95Å; L321-L382 HydrophobicContact CD1-CD1 4.5Å
322	E	85.9	Confident	84.3	Confident	50 Å²	50	43.5 Å²	43.5	23%	0.234	22%	0.216	C	C	.	.			trans	-59.2	161	164	-77.2	154	-137.6	0	0	111.5	K39 R121 Q320 T324 N325	K39-E322 VanDerWaalsContact CD-OE1 3.31Å; K39-E322 WeakPolarHBondContact CD-OE1 3.47Å; K39-E322 WeakPolarHBondContact CE-OE1 3.36Å; K39-E322 IonicContact NZ-OE1 3.68Å; K39-E322 PolarHBondContact NZ-OE1 3.37Å; R121-E322 IonicContact CZ-OE2 3.8Å; R121-E322 IonicContact NH1-OE2 2.95Å; R121-E322 IonicContact NH2-OE2 3.13Å; R121-E322 PolarHBondContact NH2-OE2 3.41Å; Q320-E322 PolarHBondContact O-N 2.91Å; E322-T324 VanDerWaalsContact C-N 3.34Å; E322-T324 PolarHBondContact O-N 3.37Å; E322-N325 WeakPolarHBondContact O-CB 3.26Å; E322-N325 PolarHBondContact O-N 3.04Å
323	I	88.6	Confident	84.9	Confident	16 Å²	16	41.5 Å²	41.5	8%	0.082	21%	0.205	C	C	.	.	H	α-helix	trans	-65.8	-38.6	-179.4	-71.5	-170.7	0	0	0	111.3	E264 E265 Q287 F289 N325 R326 Y327	E264-I323 HydrophobicContact CB-CD1 4.47Å; E264-I323 WeakPolarHBondContact O-CD1 3.5Å; E265-I323 HydrophobicContact CG-CB 4.02Å; E265-I323 HydrophobicContact CG-CD1 3.76Å; E265-I323 HydrophobicContact CG-CG1 3.91Å; Q287-I323 HydrophobicContact CB-CD1 4Å; Q287-I323 HydrophobicContact CG-CD1 4.47Å; F289-I323 HydrophobicContact CE2-CD1 4.24Å; F289-I323 HydrophobicContact CE2-CG1 4.17Å; F289-I323 HydrophobicContact CZ-CD1 4.42Å; F289-I323 HydrophobicContact CZ-CG1 4.45Å; F289-I323 HydrophobicContact CZ-CG2 4.02Å; I323-N325 VanDerWaalsContact C-N 3.31Å; I323-N325 PolarHBondContact O-N 3.33Å; I323-R326 PolarHBondContact O-N 3.18Å; I323-Y327 HydrophobicContact CG2-CD2 3.75Å; I323-Y327 HydrophobicContact CG2-CE2 3.53Å; I323-Y327 WeakPolarHBondContact O-CD2 3.3Å; I323-Y327 PolarHBondContact O-N 2.95Å
324	T	89.5	Confident	85.9	Confident	2 Å²	2	38.6 Å²	38.6	1%	0.012	19%	0.186	C	C	.	.	H	α-helix	trans	-49.8	-49.8	171.2	47.1	0	0	0	0	111.9	I119 R121 E322 R326 Y327 I328	I119-T324 HydrophobicContact CG2-CG2 4.22Å; R121-T324 HydrophobicContact CG-CG2 4.39Å; R121-T324 PolarHBondContact NH1-OG1 3.48Å; E322-T324 VanDerWaalsContact C-N 3.34Å; E322-T324 PolarHBondContact O-N 3.37Å; T324-R326 VanDerWaalsContact C-N 3.25Å; T324-R326 PolarHBondContact O-N 2.85Å; T324-Y327 PolarHBondContact O-N 3.47Å; T324-Y327 VanDerWaalsContact O-N 3.08Å; T324-I328 WeakPolarHBondContact O-CG1 3.31Å; T324-I328 PolarHBondContact O-N 3.4Å
325	N	90.4	Very high	86.9	Confident	3 Å²	3	30.3 Å²	30.3	2%	0.016	15%	0.15	C	C	.	.	H	α-helix	trans	-56.7	-37.6	-177.8	-58.9	4.4	0	0	0	112.7	D40 V43 L321 E322 I323 I328 Y329	D40-N325 PolarHBondContact OD1-OD1 3.1Å; V43-N325 HydrophobicContact CB-CB 4.41Å; V43-N325 HydrophobicContact CG1-CB 4.28Å; V43-N325 WeakPolarHBondContact CG1-O 3.46Å; V43-N325 HydrophobicContact CG2-CB 4.13Å; L321-N325 HydrophobicContact CD2-CB 3.95Å; E322-N325 WeakPolarHBondContact O-CB 3.26Å; E322-N325 PolarHBondContact O-N 3.04Å; I323-N325 VanDerWaalsContact C-N 3.31Å; I323-N325 PolarHBondContact O-N 3.33Å; N325-I328 PolarHBondContact O-N 3.49Å; N325-Y329 PolarHBondContact O-N 2.67Å; N325-Y329 VanDerWaalsContact O-N 3.13Å
326	R	90.5	Very high	87.4	Confident	58 Å²	58	29.5 Å²	29.5	22%	0.219	14%	0.144	C	C	.	.	H	α-helix	trans	-68.8	-43.7	178.9	-60.3	174.2	-177.1	-118.3	-3.4	111.1	A318 I323 T324 I328 Y329 D330 L382 T383	A318-R326 PolarHBondContact O-NH2 3.23Å; I323-R326 PolarHBondContact O-N 3.18Å; T324-R326 VanDerWaalsContact C-N 3.25Å; T324-R326 PolarHBondContact O-N 2.85Å; R326-I328 VanDerWaalsContact C-N 3.34Å; R326-Y329 PolarHBondContact O-N 2.99Å; R326-D330 PolarHBondContact O-N 3.04Å; R326-L382 HydrophobicContact CB-CB 4.05Å; R326-L382 HydrophobicContact CG-CB 4.32Å; R326-T383 HydrophobicContact CB-CG2 3.73Å
327	Y	92.9	Very high	87.9	Confident	1 Å²	1	26.5 Å²	26.5	0%	0.004	12%	0.123	C	C	.	.	H	α-helix	trans	-66	-34.1	174.3	-75.9	-67.6	0	0	0	112.5	V147 R148 P149 Q287 F289 I323 T324 T331 T383	V147-Y327 HydrophobicContact CG1-CD1 3.79Å; V147-Y327 HydrophobicContact CG1-CG 4.19Å; V147-Y327 WeakPolarHBondContact O-CE1 3.48Å; R148-Y327 HydrophobicContact CG-CD2 3.62Å; R148-Y327 HydrophobicContact CG-CE2 3.84Å; R148-Y327 HydrophobicContact CG-CG 4.12Å; P149-Y327 WeakPolarHBondContact CD-OH 3Å; Q287-Y327 PolarHBondContact NE2-OH 3.29Å; F289-Y327 HydrophobicContact CE1-CE2 4.25Å; F289-Y327 HydrophobicContact CZ-CE2 4.12Å; I323-Y327 HydrophobicContact CG2-CD2 3.75Å; I323-Y327 HydrophobicContact CG2-CE2 3.53Å; I323-Y327 WeakPolarHBondContact O-CD2 3.3Å; I323-Y327 PolarHBondContact O-N 2.95Å; T324-Y327 PolarHBondContact O-N 3.47Å; T324-Y327 VanDerWaalsContact O-N 3.08Å; Y327-T331 VanDerWaalsContact O-CB 3.3Å; Y327-T331 WeakPolarHBondContact O-CB 3.15Å; Y327-T331 PolarHBondContact O-N 3.24Å; Y327-T331 PolarHBondContact O-OG1 2.95Å; Y327-T383 HydrophobicContact CD1-CG2 3.71Å; Y327-T383 HydrophobicContact CD2-CG2 4.31Å; Y327-T383 HydrophobicContact CE1-CG2 3.74Å; Y327-T383 HydrophobicContact CE2-CG2 4.34Å; Y327-T383 HydrophobicContact CG-CG2 4.01Å
328	I	93.9	Very high	88.5	Confident	0 Å²	0	21.9 Å²	21.9	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-61.6	-50.6	174.3	-70.4	168.6	0	0	0	110.8	F33 D40 F44 I119 T324 N325 R326 D330 T331 V332	F33-I328 HydrophobicContact CE1-CD1 4.48Å; D40-I328 HydrophobicContact CB-CD1 3.36Å; D40-I328 WeakPolarHBondContact OD2-CD1 3.49Å; F44-I328 HydrophobicContact CB-CG2 3.81Å; F44-I328 HydrophobicContact CD2-CG2 4.13Å; F44-I328 HydrophobicContact CG-CG2 4.49Å; I119-I328 HydrophobicContact CD1-CB 4.25Å; I119-I328 HydrophobicContact CD1-CG1 3.44Å; I119-I328 VanDerWaalsContact CD1-CG1 3.44Å; T324-I328 WeakPolarHBondContact O-CG1 3.31Å; T324-I328 PolarHBondContact O-N 3.4Å; N325-I328 PolarHBondContact O-N 3.49Å; R326-I328 VanDerWaalsContact C-N 3.34Å; I328-D330 VanDerWaalsContact C-N 3.34Å; I328-D330 PolarHBondContact O-N 3.46Å; I328-T331 WeakPolarHBondContact O-CB 3.26Å; I328-T331 PolarHBondContact O-N 3.04Å; I328-V332 PolarHBondContact O-N 3.31Å; I328-V332 VanDerWaalsContact O-N 3.14Å
329	Y	92.3	Very high	89.1	Confident	0 Å²	0	21.7 Å²	21.7	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-57.4	-48.4	178.6	-166.9	-85	0	0	0	111.5	V43 A47 D50 I306 L310 N325 R326 T331 V332 L333 L382	V43-Y329 HydrophobicContact CG1-CD2 4.45Å; A47-Y329 HydrophobicContact CB-CD2 3.5Å; A47-Y329 VanDerWaalsContact CB-CD2 3.5Å; A47-Y329 HydrophobicContact CB-CE2 3.85Å; A47-Y329 HydrophobicContact CB-CG 4.07Å; D50-Y329 WeakPolarHBondContact OD2-CE2 3.42Å; D50-Y329 PolarHBondContact OD2-OH 3.06Å; I306-Y329 HydrophobicContact CD1-CE1 4.41Å; I306-Y329 HydrophobicContact CG1-CE1 4.1Å; I306-Y329 HydrophobicContact CG2-CE1 3.99Å; L310-Y329 HydrophobicContact CD1-CD2 3.69Å; L310-Y329 HydrophobicContact CD1-CE2 3.42Å; L310-Y329 VanDerWaalsContact CD1-CE2 3.42Å; N325-Y329 PolarHBondContact O-N 2.67Å; N325-Y329 VanDerWaalsContact O-N 3.13Å; R326-Y329 PolarHBondContact O-N 2.99Å; Y329-T331 VanDerWaalsContact C-N 3.28Å; Y329-T331 PolarHBondContact O-N 3Å; Y329-V332 PolarHBondContact O-N 3.18Å; Y329-L333 PolarHBondContact O-N 3.5Å; Y329-L382 HydrophobicContact CD1-CD1 4.07Å; Y329-L382 HydrophobicContact CD1-CG 4.15Å; Y329-L382 HydrophobicContact CD2-CD1 4.45Å; Y329-L382 HydrophobicContact CG-CD1 3.85Å; Y329-L382 HydrophobicContact CG-CG 4.43Å
330	D	92.1	Very high	89.6	Confident	0 Å²	0	18 Å²	18	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-68	-27.9	-179	-69.6	6.8	0	0	0	112.3	R326 I328 L334 G381 L382 T383 L386	R326-D330 PolarHBondContact O-N 3.04Å; I328-D330 VanDerWaalsContact C-N 3.34Å; I328-D330 PolarHBondContact O-N 3.46Å; D330-L334 VanDerWaalsContact O-CB 3.32Å; D330-L334 WeakPolarHBondContact O-CB 3.42Å; D330-L334 PolarHBondContact O-N 3.48Å; D330-G381 WeakPolarHBondContact OD1-CA 3.35Å; D330-L382 VanDerWaalsContact CG-N 3.32Å; D330-L382 PolarHBondContact OD1-N 3.32Å; D330-L382 PolarHBondContact OD2-N 2.75Å; D330-T383 WeakPolarHBondContact OD2-CB 3.33Å; D330-T383 WeakPolarHBondContact OD2-CG2 3.38Å; D330-T383 PolarHBondContact OD2-N 3.19Å; D330-T383 PolarHBondContact OD2-OG1 3.39Å; D330-L386 HydrophobicContact CB-CD2 4Å
331	T	94.6	Very high	90	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	7%	0.069	C	C	.	.	H	α-helix	trans	-66.6	-43.9	172.6	-62	0	0	0	0	111.8	V94 L117 V147 Y327 I328 Y329 L334 L335	V94-T331 HydrophobicContact CG1-CG2 4.11Å; V94-T331 HydrophobicContact CG2-CG2 3.86Å; L117-T331 HydrophobicContact CB-CG2 3.82Å; L117-T331 HydrophobicContact CD2-CG2 3.75Å; L117-T331 HydrophobicContact CG-CG2 4.36Å; V147-T331 WeakPolarHBondContact CG1-OG1 3.39Å; Y327-T331 VanDerWaalsContact O-CB 3.3Å; Y327-T331 WeakPolarHBondContact O-CB 3.15Å; Y327-T331 PolarHBondContact O-N 3.24Å; Y327-T331 PolarHBondContact O-OG1 2.95Å; I328-T331 WeakPolarHBondContact O-CB 3.26Å; I328-T331 PolarHBondContact O-N 3.04Å; Y329-T331 VanDerWaalsContact C-N 3.28Å; Y329-T331 PolarHBondContact O-N 3Å; T331-L334 PolarHBondContact O-N 2.66Å; T331-L335 HydrophobicContact CG2-CD1 4.42Å; T331-L335 WeakPolarHBondContact O-CG 3.16Å; T331-L335 PolarHBondContact O-N 2.91Å
332	V	92.9	Very high	90.3	Very high	0 Å²	0	14.7 Å²	14.7	0%	0	6%	0.064	C	C	.	.	H	α-helix	trans	-68.3	-39.5	176.8	-171.9	0	0	0	0	110.6	F44 A47 V48 L51 I328 Y329 L334 L335 A336	F44-V332 HydrophobicContact CD2-CG2 3.54Å; F44-V332 HydrophobicContact CE2-CG2 3.66Å; A47-V332 HydrophobicContact CB-CB 3.93Å; A47-V332 HydrophobicContact CB-CG1 4.3Å; A47-V332 HydrophobicContact CB-CG2 4.05Å; V48-V332 HydrophobicContact CB-CG1 4.5Å; V48-V332 HydrophobicContact CG2-CG1 3.58Å; V48-V332 HydrophobicContact CG2-CG2 4.43Å; L51-V332 HydrophobicContact CD1-CB 4.16Å; L51-V332 HydrophobicContact CD1-CG1 3.64Å; I328-V332 PolarHBondContact O-N 3.31Å; I328-V332 VanDerWaalsContact O-N 3.14Å; Y329-V332 PolarHBondContact O-N 3.18Å; V332-L334 VanDerWaalsContact C-N 3.34Å; V332-L334 PolarHBondContact O-N 3.31Å; V332-L335 PolarHBondContact O-N 3.19Å; V332-A336 WeakPolarHBondContact O-CB 3.37Å; V332-A336 PolarHBondContact O-N 3.37Å
333	L	90.7	Very high	90.2	Very high	10 Å²	10	14.9 Å²	14.9	5%	0.052	7%	0.066	C	C	.	.	H	α-helix	trans	-59.7	-42.1	173.2	176.8	63.2	0	0	0	112.1	L51 I57 Y329 A336 N337 V379	L51-L333 HydrophobicContact CD1-CB 4.46Å; L51-L333 HydrophobicContact CD2-CD1 3.82Å; I57-L333 HydrophobicContact CD1-CD1 4.28Å; Y329-L333 PolarHBondContact O-N 3.5Å; L333-A336 PolarHBondContact O-N 3.38Å; L333-N337 WeakPolarHBondContact O-CB 3.38Å; L333-N337 PolarHBondContact O-N 3.03Å; L333-V379 HydrophobicContact CD2-CB 4.3Å; L333-V379 HydrophobicContact CD2-CG2 4.4Å; L333-V379 HydrophobicContact CG-CB 4.27Å; L333-V379 HydrophobicContact CG-CG1 4.4Å; L333-V379 HydrophobicContact CG-CG2 4.35Å
334	L	92.2	Very high	90	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	9%	0.091	C	C	.	.	H	α-helix	trans	-63.8	-45.7	175.2	178.7	57.4	0	0	0	112.1	L117 D330 T331 V332 N337 T338 V374 F377 V379 L386 F388	L117-L334 HydrophobicContact CD2-CD2 4.43Å; D330-L334 VanDerWaalsContact O-CB 3.32Å; D330-L334 WeakPolarHBondContact O-CB 3.42Å; D330-L334 PolarHBondContact O-N 3.48Å; T331-L334 PolarHBondContact O-N 2.66Å; V332-L334 VanDerWaalsContact C-N 3.34Å; V332-L334 PolarHBondContact O-N 3.31Å; L334-N337 PolarHBondContact O-N 3.33Å; L334-T338 WeakPolarHBondContact O-CB 3.44Å; L334-T338 PolarHBondContact O-N 2.91Å; L334-T338 PolarHBondContact O-OG1 2.98Å; L334-V374 HydrophobicContact CD2-CG1 3.94Å; L334-V374 HydrophobicContact CG-CG1 4.28Å; L334-F377 WeakPolarHBondContact CD1-O 3.44Å; L334-V379 HydrophobicContact CB-CG1 4.38Å; L334-V379 HydrophobicContact CB-CG2 3.78Å; L334-V379 HydrophobicContact CD1-CG1 4Å; L334-V379 HydrophobicContact CD1-CG2 4.28Å; L334-L386 HydrophobicContact CB-CD2 4.4Å; L334-L386 HydrophobicContact CD2-CD2 4.01Å; L334-L386 HydrophobicContact CD2-CG 4.28Å; L334-F388 HydrophobicContact CD2-CD2 4.37Å; L334-F388 HydrophobicContact CD2-CE2 3.58Å; L334-F388 HydrophobicContact CD2-CZ 4.34Å
335	L	92.4	Very high	89.7	Confident	1 Å²	1	24.3 Å²	24.3	1%	0.005	11%	0.113	C	C	.	.	H	α-helix	trans	-62.4	-44	176.7	-74.2	172.9	0	0	0	111.6	A92 V94 L117 T331 V332 N337 T338 F339	A92-L335 HydrophobicContact CB-CD1 4.26Å; A92-L335 HydrophobicContact CB-CD2 3.77Å; V94-L335 HydrophobicContact CG2-CD1 3.84Å; L117-L335 HydrophobicContact CD1-CD2 3.99Å; L117-L335 HydrophobicContact CD2-CD2 4.44Å; L117-L335 HydrophobicContact CD2-CG 4.47Å; T331-L335 HydrophobicContact CG2-CD1 4.42Å; T331-L335 WeakPolarHBondContact O-CG 3.16Å; T331-L335 PolarHBondContact O-N 2.91Å; V332-L335 PolarHBondContact O-N 3.19Å; L335-N337 PolarHBondContact O-N 2.86Å; L335-T338 WeakPolarHBondContact O-CB 3.45Å; L335-T338 PolarHBondContact O-N 3.3Å; L335-T338 VanDerWaalsContact O-N 3.16Å; L335-F339 HydrophobicContact CB-CD2 4.45Å; L335-F339 HydrophobicContact CB-CE2 3.87Å; L335-F339 HydrophobicContact CB-CZ 4.3Å; L335-F339 HydrophobicContact CD2-CZ 4.17Å; L335-F339 WeakPolarHBondContact O-CD2 3.45Å; L335-F339 VanDerWaalsContact O-CG 3.23Å; L335-F339 WeakPolarHBondContact O-CG 3.3Å; L335-F339 PolarHBondContact O-N 3.28Å
336	A	89.8	Confident	89.2	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-59.7	-47.6	176.8	0	0	0	0	0	112.5	L51 I57 I63 V332 L333 T338 F339 H340	L51-A336 HydrophobicContact CD1-CB 4.1Å; L51-A336 HydrophobicContact CD2-CB 4.37Å; I57-A336 HydrophobicContact CG2-CB 3.96Å; I63-A336 HydrophobicContact CD1-CB 3.89Å; V332-A336 WeakPolarHBondContact O-CB 3.37Å; V332-A336 PolarHBondContact O-N 3.37Å; L333-A336 PolarHBondContact O-N 3.38Å; A336-T338 VanDerWaalsContact C-N 3.31Å; A336-T338 PolarHBondContact O-N 3.27Å; A336-F339 PolarHBondContact O-N 3.49Å; A336-H340 WeakPolarHBondContact O-CB 3.28Å; A336-H340 PolarHBondContact O-N 2.69Å
337	N	88.2	Confident	88.7	Confident	27 Å²	27	37.5 Å²	37.5	14%	0.144	17%	0.165	C	C	.	.	H	α-helix	trans	-62.9	-35.1	174.6	-179.6	33.8	0	0	0	112.3	L333 L334 L335 R341 V379	L333-N337 WeakPolarHBondContact O-CB 3.38Å; L333-N337 PolarHBondContact O-N 3.03Å; L334-N337 PolarHBondContact O-N 3.33Å; L335-N337 PolarHBondContact O-N 2.86Å; N337-R341 VanDerWaalsContact O-CG 3.3Å; N337-R341 WeakPolarHBondContact O-CG 3.47Å; N337-R341 PolarHBondContact O-N 3Å; N337-R341 PolarHBondContact OD1-NE 3.32Å; N337-R341 PolarHBondContact OD1-NH2 3.36Å; N337-V379 HydrophobicContact CB-CG1 4.01Å; N337-V379 VanDerWaalsContact ND2-CG1 3.33Å; N337-V379 WeakPolarHBondContact ND2-CG1 3.25Å
338	T	90.1	Very high	88.2	Confident	0 Å²	0	39.8 Å²	39.8	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-65.9	-47.6	174.3	-57.5	0	0	0	0	111.2	L334 L335 A336 R341 K342 M370 T373 V374	L334-T338 WeakPolarHBondContact O-CB 3.44Å; L334-T338 PolarHBondContact O-N 2.91Å; L334-T338 PolarHBondContact O-OG1 2.98Å; L335-T338 WeakPolarHBondContact O-CB 3.45Å; L335-T338 PolarHBondContact O-N 3.3Å; L335-T338 VanDerWaalsContact O-N 3.16Å; A336-T338 VanDerWaalsContact C-N 3.31Å; A336-T338 PolarHBondContact O-N 3.27Å; T338-R341 PolarHBondContact O-N 3.13Å; T338-K342 WeakPolarHBondContact O-CG 3.38Å; T338-K342 PolarHBondContact O-N 2.94Å; T338-M370 HydrophobicContact CG2-SD 3.76Å; T338-T373 HydrophobicContact CG2-CG2 3.95Å; T338-V374 HydrophobicContact CG2-CG2 3.71Å
339	F	88.7	Confident	87.6	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-65.7	-43.4	179.8	-59.7	-42.3	0	0	0	111.9	I27 I29 L91 L335 A336 R341 K342 L343 W348 M370	I27-F339 HydrophobicContact CD1-CB 3.98Å; I27-F339 HydrophobicContact CD1-CD2 4.41Å; I27-F339 HydrophobicContact CD1-CG 4.38Å; I27-F339 HydrophobicContact CG2-CD1 4.48Å; I27-F339 HydrophobicContact CG2-CD2 3.41Å; I27-F339 VanDerWaalsContact CG2-CD2 3.41Å; I27-F339 HydrophobicContact CG2-CE2 3.45Å; I27-F339 VanDerWaalsContact CG2-CE2 3.45Å; I27-F339 HydrophobicContact CG2-CG 3.97Å; I27-F339 HydrophobicContact CG2-CZ 4.03Å; I29-F339 HydrophobicContact CG2-CE2 3.8Å; I29-F339 HydrophobicContact CG2-CZ 3.79Å; L91-F339 HydrophobicContact CB-CE1 4.14Å; L91-F339 HydrophobicContact CB-CZ 4.24Å; L91-F339 HydrophobicContact CD1-CE1 4.07Å; L91-F339 HydrophobicContact CD1-CZ 4.38Å; L335-F339 HydrophobicContact CB-CD2 4.45Å; L335-F339 HydrophobicContact CB-CE2 3.87Å; L335-F339 HydrophobicContact CB-CZ 4.3Å; L335-F339 HydrophobicContact CD2-CZ 4.17Å; L335-F339 WeakPolarHBondContact O-CD2 3.45Å; L335-F339 VanDerWaalsContact O-CG 3.23Å; L335-F339 WeakPolarHBondContact O-CG 3.3Å; L335-F339 PolarHBondContact O-N 3.28Å; A336-F339 PolarHBondContact O-N 3.49Å; F339-R341 PolarHBondContact O-N 3.27Å; F339-K342 PolarHBondContact O-N 3.3Å; F339-K342 VanDerWaalsContact O-N 3.16Å; F339-L343 WeakPolarHBondContact O-CG 3.24Å; F339-L343 PolarHBondContact O-N 2.92Å; F339-W348 HydrophobicContact CB-CH2 4.44Å; F339-W348 HydrophobicContact CB-CZ3 4.11Å; F339-W348 AromaticContact CD1-CH2 3.9Å; F339-W348 HydrophobicContact CD1-CH2 3.9Å; F339-W348 AromaticContact CD1-CZ3 3.99Å; F339-W348 HydrophobicContact CD1-CZ3 3.99Å; F339-W348 HydrophobicContact CG-CH2 4.37Å; F339-W348 HydrophobicContact CG-CZ3 4.41Å; F339-M370 HydrophobicContact CD1-CE 3.94Å; F339-M370 HydrophobicContact CD1-SD 4.13Å; F339-M370 HydrophobicContact CE1-CE 3.9Å; F339-M370 HydrophobicContact CE1-SD 4.05Å
340	H	86.6	Confident	86.9	Confident	51 Å²	51	47.8 Å²	47.8	24%	0.236	22%	0.221	C	C	.	.	H	α-helix	trans	-48.9	-57.9	171.6	176.9	87.3	0	0	0	111.2	I57 A336 K342 L343 E344	I57-H340 HydrophobicContact CG2-CB 4.43Å; I57-H340 WeakPolarHBondContact O-CB 3.38Å; I57-H340 PolarHBondContact O-ND1 3.37Å; A336-H340 WeakPolarHBondContact O-CB 3.28Å; A336-H340 PolarHBondContact O-N 2.69Å; H340-K342 VanDerWaalsContact C-N 3.3Å; H340-K342 PolarHBondContact O-N 3.13Å; H340-L343 WeakPolarHBondContact O-CB 3.04Å; H340-L343 PolarHBondContact O-N 2.95Å; H340-L343 VanDerWaalsContact O-N 3.08Å; H340-E344 IonicContact CD2-OE2 2.8Å; H340-E344 IonicContact NE2-OE1 3.67Å; H340-E344 IonicContact NE2-OE2 2.86Å; H340-E344 PolarHBondContact O-N 2.98Å
341	R	86.6	Confident	86.2	Confident	85 Å²	85	50.7 Å²	50.7	32%	0.321	24%	0.236	S	C	.	.	H	α-helix	trans	-61.4	-36.6	-179.8	-68.7	173.5	-167.3	-128.2	-10.8	112.4	N337 T338 F339 L343 E344 D345 F377	N337-R341 VanDerWaalsContact O-CG 3.3Å; N337-R341 WeakPolarHBondContact O-CG 3.47Å; N337-R341 PolarHBondContact O-N 3Å; N337-R341 PolarHBondContact OD1-NE 3.32Å; N337-R341 PolarHBondContact OD1-NH2 3.36Å; T338-R341 PolarHBondContact O-N 3.13Å; F339-R341 PolarHBondContact O-N 3.27Å; R341-L343 VanDerWaalsContact C-N 3.32Å; R341-L343 PolarHBondContact O-N 3.09Å; R341-E344 PolarHBondContact O-N 3.27Å; R341-D345 VanDerWaalsContact O-CB 3.31Å; R341-D345 WeakPolarHBondContact O-CB 3.47Å; R341-D345 PolarHBondContact O-N 3.25Å; R341-F377 VanDerWaalsContact NH1-CE1 3.34Å
342	K	86.9	Confident	85.2	Confident	3 Å²	3	52.3 Å²	52.3	1%	0.013	25%	0.249	C	C	.	.	H	α-helix	trans	-64.9	-33.8	176	-79.5	-59.7	-158.3	-170.5	0	113.4	T338 F339 H340 K347 W348 S369 M370 T373	T338-K342 WeakPolarHBondContact O-CG 3.38Å; T338-K342 PolarHBondContact O-N 2.94Å; F339-K342 PolarHBondContact O-N 3.3Å; F339-K342 VanDerWaalsContact O-N 3.16Å; H340-K342 VanDerWaalsContact C-N 3.3Å; H340-K342 PolarHBondContact O-N 3.13Å; K342-K347 PolarHBondContact O-N 3.16Å; K342-W348 HydrophobicContact CB-CE3 3.7Å; K342-W348 HydrophobicContact CB-CZ3 3.99Å; K342-S369 VanDerWaalsContact CE-O 3.26Å; K342-S369 WeakPolarHBondContact CE-O 3.27Å; K342-S369 PolarHBondContact NZ-O 3.21Å; K342-S369 PolarHBondContact NZ-OG 3.11Å; K342-M370 HydrophobicContact CG-CE 4.2Å; K342-M370 HydrophobicContact CG-SD 3.97Å; K342-T373 HydrophobicContact CD-CG2 4.35Å; K342-T373 WeakPolarHBondContact CE-OG1 3.2Å; K342-T373 HydrophobicContact CG-CG2 4.41Å; K342-T373 PolarHBondContact NZ-OG1 2.72Å
343	L	84.9	Confident	84.5	Confident	54 Å²	54	56.9 Å²	56.9	28%	0.283	28%	0.281	S	S	.	.	H	α-helix	trans	-72.2	-45.2	174.5	-65.7	167.5	0	0	0	110.6	I27 E61 F339 H340 R341 R346 W348	I27-L343 HydrophobicContact CD1-CD1 4.46Å; E61-L343 HydrophobicContact CG-CD1 4.34Å; F339-L343 WeakPolarHBondContact O-CG 3.24Å; F339-L343 PolarHBondContact O-N 2.92Å; H340-L343 WeakPolarHBondContact O-CB 3.04Å; H340-L343 PolarHBondContact O-N 2.95Å; H340-L343 VanDerWaalsContact O-N 3.08Å; R341-L343 VanDerWaalsContact C-N 3.32Å; R341-L343 PolarHBondContact O-N 3.09Å; L343-R346 PolarHBondContact O-N 3.02Å; L343-W348 HydrophobicContact CD2-CD2 3.82Å; L343-W348 HydrophobicContact CD2-CE3 3.61Å; L343-W348 HydrophobicContact CD2-CG 4.18Å; L343-W348 HydrophobicContact CD2-CZ3 4.21Å; L343-W348 HydrophobicContact CG-CE3 3.84Å; L343-W348 HydrophobicContact CG-CZ3 4.16Å
344	E	83.4	Confident	84.2	Confident	130 Å²	130	57 Å²	57	61%	0.607	28%	0.281	S	S	*	.	H	α-helix	trans	-58	-50.7	174	-68.3	-170.4	111.1	0	0	112.8	H340 R341 R346	H340-E344 IonicContact CD2-OE2 2.8Å; H340-E344 IonicContact NE2-OE1 3.67Å; H340-E344 IonicContact NE2-OE2 2.86Å; H340-E344 PolarHBondContact O-N 2.98Å; R341-E344 PolarHBondContact O-N 3.27Å; E344-R346 PolarHBondContact O-N 3.2Å
345	D	83	Confident	83.8	Confident	87 Å²	87	58.4 Å²	58.4	47%	0.465	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-10.6	-178.3	-119.6	-1.5	0	0	0	113.1	R341 K347	R341-D345 VanDerWaalsContact O-CB 3.31Å; R341-D345 WeakPolarHBondContact O-CB 3.47Å; R341-D345 PolarHBondContact O-N 3.25Å; D345-K347 HydrophobicContact CB-CB 4.34Å; D345-K347 HydrophobicContact CB-CD 4.07Å; D345-K347 HydrophobicContact CB-CG 4.27Å; D345-K347 PolarHBondContact O-N 3.41Å; D345-K347 VanDerWaalsContact O-N 3.11Å; D345-K347 IonicContact OD1-NZ 3.58Å; D345-K347 PolarHBondContact OD1-NZ 2.89Å; D345-K347 VanDerWaalsContact OD1-NZ 3.13Å; D345-K347 WeakPolarHBondContact OD2-CD 3.27Å; D345-K347 WeakPolarHBondContact OD2-CE 3.44Å; D345-K347 IonicContact OD2-NZ 3.51Å; D345-K347 PolarHBondContact OD2-NZ 3.31Å
346	R	79.8	Confident	83.4	Confident	230 Å²	230	60 Å²	60	87%	0.868	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	55	19.8	-170.2	-55.3	-176.5	-179.6	-173.9	-1.2	114.3	L343 E344 W348	L343-R346 PolarHBondContact O-N 3.02Å; E344-R346 PolarHBondContact O-N 3.2Å; R346-W348 VanDerWaalsContact C-N 3.26Å; R346-W348 PolarHBondContact O-N 2.88Å
347	K	80.8	Confident	82.8	Confident	107 Å²	107	67.3 Å²	67.3	47%	0.465	34%	0.34	S	S	.	.			trans	-96.9	37.7	176.6	-64.5	164	-153.9	155	0	110.8	K342 D345	K342-K347 PolarHBondContact O-N 3.16Å; D345-K347 HydrophobicContact CB-CB 4.34Å; D345-K347 HydrophobicContact CB-CD 4.07Å; D345-K347 HydrophobicContact CB-CG 4.27Å; D345-K347 PolarHBondContact O-N 3.41Å; D345-K347 VanDerWaalsContact O-N 3.11Å; D345-K347 IonicContact OD1-NZ 3.58Å; D345-K347 PolarHBondContact OD1-NZ 2.89Å; D345-K347 VanDerWaalsContact OD1-NZ 3.13Å; D345-K347 WeakPolarHBondContact OD2-CD 3.27Å; D345-K347 WeakPolarHBondContact OD2-CE 3.44Å; D345-K347 IonicContact OD2-NZ 3.51Å; D345-K347 PolarHBondContact OD2-NZ 3.31Å
348	W	81.9	Confident	82.4	Confident	50 Å²	50	74.8 Å²	74.8	19%	0.189	37%	0.366	C	S	.	.			trans	-75.6	137.7	178.5	-172.1	-96.6	0	0	0	110.6	I26 I27 L91 F339 K342 L343 R346 M370	I26-W348 HydrophobicContact CG2-CZ2 3.66Å; I27-W348 HydrophobicContact CG1-CH2 3.95Å; I27-W348 HydrophobicContact CG1-CZ2 4.38Å; L91-W348 HydrophobicContact CD1-CH2 3.62Å; L91-W348 HydrophobicContact CD1-CZ2 3.6Å; L91-W348 HydrophobicContact CD2-CZ2 4.44Å; F339-W348 HydrophobicContact CB-CH2 4.44Å; F339-W348 HydrophobicContact CB-CZ3 4.11Å; F339-W348 AromaticContact CD1-CH2 3.9Å; F339-W348 HydrophobicContact CD1-CH2 3.9Å; F339-W348 AromaticContact CD1-CZ3 3.99Å; F339-W348 HydrophobicContact CD1-CZ3 3.99Å; F339-W348 HydrophobicContact CG-CH2 4.37Å; F339-W348 HydrophobicContact CG-CZ3 4.41Å; K342-W348 HydrophobicContact CB-CE3 3.7Å; K342-W348 HydrophobicContact CB-CZ3 3.99Å; L343-W348 HydrophobicContact CD2-CD2 3.82Å; L343-W348 HydrophobicContact CD2-CE3 3.61Å; L343-W348 HydrophobicContact CD2-CG 4.18Å; L343-W348 HydrophobicContact CD2-CZ3 4.21Å; L343-W348 HydrophobicContact CG-CE3 3.84Å; L343-W348 HydrophobicContact CG-CZ3 4.16Å; R346-W348 VanDerWaalsContact C-N 3.26Å; R346-W348 PolarHBondContact O-N 2.88Å; W348-M370 HydrophobicContact CH2-CE 4.46Å; W348-M370 HydrophobicContact CZ3-CE 4.36Å
349	H	82.1	Confident	81.4	Confident	77 Å²	77	84.9 Å²	84.9	36%	0.356	41%	0.41	S	S	.	.			trans	-120.7	125.3	171.1	-70.2	-91.8	0	0	0	108.3	W364	H349-W364 HydrophobicContact CB-CZ2 4.09Å
350	S	77.3	Confident	80.6	Confident	91 Å²	91	92.3 Å²	92.3	64%	0.636	45%	0.449	S	S	*	.			trans	-61.3	153.9	179.6	-52.4	0	0	0	0	112.6	W364	S350-W364 PolarHBondContact O-NE1 3.01Å
351	M	77.8	Confident	80.2	Confident	61 Å²	61	91.9 Å²	91.9	30%	0.3	45%	0.452	S	S	.	.			trans	-51.1	144	168	-67.7	-178.1	-65	0	0	111.4	S25 H28 G89 L91	S25-M351 VanDerWaalsContact O-CE 3.24Å; S25-M351 WeakPolarHBondContact O-CE 3.29Å; H28-M351 HydrophobicContact CB-SD 3.49Å; H28-M351 WeakPolarHBondContact CB-SD 3.45Å; G89-M351 WeakPolarHBondContact O-CB 3.34Å; G89-M351 VanDerWaalsContact O-CG 3.3Å; G89-M351 WeakPolarHBondContact O-CG 3.5Å; G89-M351 VanDerWaalsContact O-SD 3.41Å; L91-M351 HydrophobicContact CD1-CG 4.25Å; L91-M351 HydrophobicContact CD2-CB 4.39Å; L91-M351 HydrophobicContact CD2-CG 3.55Å; L91-M351 HydrophobicContact CG-CG 3.7Å; L91-M351 HydrophobicContact CG-SD 4.47Å
352	A	72.9	Confident	80.1	Confident	33 Å²	33	96 Å²	96	27%	0.273	47%	0.472	S	S	.	.			trans	-123.8	127.3	172.4	0	0	0	0	0	109.1	G89 L354	G89-A352 WeakPolarHBondContact CA-O 3.46Å; A352-L354 HydrophobicContact CB-CD2 4.21Å; A352-L354 HydrophobicContact CB-CG 4.36Å; A352-L354 PolarHBondContact O-N 3.13Å
353	S	79.4	Confident	80.1	Confident	96 Å²	96	97.5 Å²	97.5	67%	0.671	48%	0.482	S	S	*	.			trans	-70.9	119.3	166.6	177.4	0	0	0	0	108.7	N87	N87-S353 WeakPolarHBondContact O-CB 3.25Å; N87-S353 PolarHBondContact O-OG 3.27Å
354	L	83.1	Confident	80.4	Confident	12 Å²	12	95.5 Å²	95.5	6%	0.063	47%	0.471	C	S	.	.			trans	-117.5	129.1	-170.8	-69.4	177.7	0	0	0	111.2	M86 N87 M112 I114 A352 K362 W364	M86-L354 CarbonylContact C-O 3.38Å; M86-L354 HydrophobicContact CB-CB 4.25Å; M86-L354 PolarHBondContact O-N 2.04Å; N87-L354 WeakPolarHBondContact CA-O 3.49Å; N87-L354 PolarHBondContact N-O 3.38Å; N87-L354 PolarHBondContact OD1-O 3.5Å; M112-L354 HydrophobicContact CB-CD1 4.29Å; M112-L354 HydrophobicContact CE-CB 3.68Å; M112-L354 HydrophobicContact CE-CD1 4.16Å; M112-L354 HydrophobicContact CE-CD2 4.23Å; M112-L354 HydrophobicContact CE-CG 4.24Å; I114-L354 HydrophobicContact CD1-CD1 3.76Å; I114-L354 HydrophobicContact CG1-CD1 3.95Å; A352-L354 HydrophobicContact CB-CD2 4.21Å; A352-L354 HydrophobicContact CB-CG 4.36Å; A352-L354 PolarHBondContact O-N 3.13Å; L354-K362 WeakPolarHBondContact CD2-O 3.46Å; L354-W364 HydrophobicContact CD1-CB 4.24Å
355	S	83.6	Confident	80.6	Confident	31 Å²	31	96.4 Å²	96.4	22%	0.217	48%	0.475	C	S	.	.			trans	-111	95.4	-175.9	-169	0	0	0	0	111.5	I357 R358 S361	S355-I357 PolarHBondContact O-N 2.88Å; S355-R358 PolarHBondContact O-N 2.94Å; S355-S361 WeakPolarHBondContact O-CB 3.23Å; S355-S361 PolarHBondContact O-OG 3.24Å
356	C	84.1	Confident	80.8	Confident	35 Å²	35	92.3 Å²	92.3	24%	0.236	45%	0.454	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.5	-20.1	-169.9	-9.8	0	0	0	0	114.4	C83 L108 M112	C83-C356 WeakPolarHBondContact CA-SG 3.43Å; C83-C356 HydrophobicContact CB-CB 4.14Å; C83-C356 WeakPolarHBondContact CB-SG 3.4Å; C83-C356 WeakPolarHBondContact SG-CB 3.29Å; C83-C356 CovalentContact SG-SG 2.04Å; C83-C356 PolarHBondContact SG-SG 3.25Å; L108-C356 HydrophobicContact CD1-CB 3.76Å; M112-C356 HydrophobicContact SD-CB 4.43Å
357	I	78.8	Confident	81.2	Confident	154 Å²	154	81.4 Å²	81.4	79%	0.79	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.9	-18	-176.6	-56.8	174.8	0	0	0	112.1	S355	S355-I357 PolarHBondContact O-N 2.88Å
358	R	78.2	Confident	81.6	Confident	184 Å²	184	80.1 Å²	80.1	69%	0.694	41%	0.407	S	S	*	.	S	Bend	trans	-89	121.5	-176.3	-64.6	-179.7	178.3	-168.4	0.1	111.7	S355 N360 S361	S355-R358 PolarHBondContact O-N 2.94Å; R358-N360 PolarHBondContact O-N 3.48Å; R358-S361 WeakPolarHBondContact O-CB 3.46Å; R358-S361 PolarHBondContact O-N 3.22Å; R358-S361 PolarHBondContact O-OG 2.98Å
359	K	69.2	Low	82	Confident	212 Å²	212	79.3 Å²	79.3	92%	0.922	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-21.7	-179.1	-72.4	-169.9	173.7	-173.8	0	116.7
360	N	72.9	Confident	82.4	Confident	155 Å²	155	75.9 Å²	75.9	83%	0.829	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	19	-177.8	-64.4	9.6	0	0	0	112.6	R358	R358-N360 PolarHBondContact O-N 3.48Å
361	S	78.6	Confident	83	Confident	42 Å²	42	72 Å²	72	29%	0.294	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-63.5	134.8	175	-79	0	0	0	0	111.1	S355 R358	S355-S361 WeakPolarHBondContact O-CB 3.23Å; S355-S361 PolarHBondContact O-OG 3.24Å; R358-S361 WeakPolarHBondContact O-CB 3.46Å; R358-S361 PolarHBondContact O-N 3.22Å; R358-S361 PolarHBondContact O-OG 2.98Å
362	K	83.3	Confident	83.6	Confident	171 Å²	171	74 Å²	74	74%	0.743	37%	0.374	S	S	*	.	P	Polyproline II helix	trans	-90.7	135.6	175.3	-64.8	-175.2	177.5	-175.3	0	109.2	L354	L354-K362 WeakPolarHBondContact CD2-O 3.46Å
363	P	87.8	Confident	84.5	Confident	35 Å²	35	73.2 Å²	73.2	23%	0.227	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-70.3	161.8	175	31.4	-36.6	0	0	0	111.5	M112 H113 Q365	M112-P363 VanDerWaalsContact C-CB 3.47Å; M112-P363 WeakPolarHBondContact O-CA 3.45Å; M112-P363 WeakPolarHBondContact O-CB 3.47Å; H113-P363 HydrophobicContact CB-CB 3.9Å; P363-Q365 PolarHBondContact O-N 3.49Å; P363-Q365 PolarHBondContact O-NE2 3.21Å
364	W	90.1	Very high	85.1	Confident	13 Å²	13	68.7 Å²	68.7	5%	0.049	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-65	125	-177.5	-177.7	48.6	0	0	0	111.7	L91 M112 H113 I114 H349 S350 L354 G366 G367 M370	L91-W364 HydrophobicContact CB-CH2 4.46Å; L91-W364 HydrophobicContact CD2-CH2 3.7Å; L91-W364 HydrophobicContact CD2-CZ2 3.56Å; L91-W364 WeakPolarHBondContact O-CZ3 3.37Å; M112-W364 PolarHBondContact O-N 3.43Å; H113-W364 WeakPolarHBondContact CB-O 3.5Å; I114-W364 HydrophobicContact CD1-CB 4.15Å; I114-W364 HydrophobicContact CD1-CD2 4.43Å; I114-W364 HydrophobicContact CD1-CE3 3.96Å; H349-W364 HydrophobicContact CB-CZ2 4.09Å; S350-W364 PolarHBondContact O-NE1 3.01Å; L354-W364 HydrophobicContact CD1-CB 4.24Å; W364-G366 VanDerWaalsContact C-N 3.28Å; W364-G366 PolarHBondContact O-N 3.1Å; W364-G367 VanDerWaalsContact CE3-N 3.31Å; W364-G367 PolarHBondContact O-N 3.41Å; W364-M370 HydrophobicContact CH2-CB 4.02Å; W364-M370 HydrophobicContact CH2-CE 3.95Å; W364-M370 HydrophobicContact CH2-CG 4.27Å; W364-M370 HydrophobicContact CZ3-CB 3.97Å; W364-M370 HydrophobicContact CZ3-CG 4.35Å
365	Q	87.3	Confident	85.4	Confident	148 Å²	148	70.5 Å²	70.5	69%	0.692	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.9	-21.8	-176.9	-56.3	-61.6	-81.1	0	0	112.7	P363 G367	P363-Q365 PolarHBondContact O-N 3.49Å; P363-Q365 PolarHBondContact O-NE2 3.21Å; Q365-G367 VanDerWaalsContact C-N 3.34Å
366	G	87.6	Confident	85.7	Confident	2 Å²	2	76.4 Å²	76.4	2%	0.021	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-15.8	173.6	0	0	0	0	0	114.3	W364 K368 S369 M370	W364-G366 VanDerWaalsContact C-N 3.28Å; W364-G366 PolarHBondContact O-N 3.1Å; G366-K368 PolarHBondContact O-N 3.36Å; G366-S369 PolarHBondContact O-N 3.27Å; G366-M370 PolarHBondContact O-N 2.77Å
367	G	89	Confident	85.6	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-53.1	-58.1	-167.9	0	0	0	0	0	114.1	H113 W364 Q365 S369 M370 L371	H113-G367 WeakPolarHBondContact O-CA 3.39Å; W364-G367 VanDerWaalsContact CE3-N 3.31Å; W364-G367 PolarHBondContact O-N 3.41Å; Q365-G367 VanDerWaalsContact C-N 3.34Å; G367-S369 VanDerWaalsContact C-N 3.32Å; G367-S369 PolarHBondContact O-N 3.22Å; G367-M370 WeakPolarHBondContact O-CB 3.45Å; G367-M370 PolarHBondContact O-N 2.97Å; G367-M370 VanDerWaalsContact O-N 3.09Å; G367-L371 WeakPolarHBondContact O-CB 3.39Å; G367-L371 PolarHBondContact O-N 3.38Å
368	K	88.9	Confident	86	Confident	80 Å²	80	71.2 Å²	71.2	35%	0.348	34%	0.338	S	S	.	.	H	α-helix	trans	-57.9	-44.4	-179	-176.7	160.6	-171.6	154.8	0	112.1	D141 G366 M370 L371 E372	D141-K368 IonicContact OD1-NZ 3.7Å; D141-K368 PolarHBondContact OD1-NZ 3.17Å; D141-K368 WeakPolarHBondContact OD2-CD 3.45Å; D141-K368 IonicContact OD2-NZ 2.65Å; D141-K368 PolarHBondContact OD2-NZ 2.69Å; G366-K368 PolarHBondContact O-N 3.36Å; K368-M370 VanDerWaalsContact C-N 3.3Å; K368-M370 PolarHBondContact O-N 3.18Å; K368-L371 PolarHBondContact O-N 2.6Å; K368-E372 WeakPolarHBondContact CE-OE1 3.44Å; K368-E372 HydrophobicContact CG-CG 4.31Å; K368-E372 WeakPolarHBondContact CG-OE1 3.37Å; K368-E372 WeakPolarHBondContact O-CB 3.23Å; K368-E372 VanDerWaalsContact O-CG 3.3Å; K368-E372 WeakPolarHBondContact O-CG 3.32Å; K368-E372 PolarHBondContact O-N 2.7Å
369	S	90.4	Very high	86.5	Confident	34 Å²	34	62.9 Å²	62.9	24%	0.238	31%	0.308	C	S	.	.	H	α-helix	trans	-66.2	-32.7	178.9	-164.2	0	0	0	0	112.3	K342 G366 G367 T373	K342-S369 VanDerWaalsContact CE-O 3.26Å; K342-S369 WeakPolarHBondContact CE-O 3.27Å; K342-S369 PolarHBondContact NZ-O 3.21Å; K342-S369 PolarHBondContact NZ-OG 3.11Å; G366-S369 PolarHBondContact O-N 3.27Å; G367-S369 VanDerWaalsContact C-N 3.32Å; G367-S369 PolarHBondContact O-N 3.22Å; S369-T373 PolarHBondContact O-N 3.15Å; S369-T373 PolarHBondContact O-OG1 3.42Å
370	M	90	Very high	87.3	Confident	5 Å²	5	53.9 Å²	53.9	3%	0.025	27%	0.272	C	S	.	.	H	α-helix	trans	-68	-52	172.9	-169.1	63.7	78	0	0	110.5	P115 T338 F339 K342 W348 W364 G366 G367 K368 E372 T373 V374	P115-M370 HydrophobicContact CG-CB 4.03Å; P115-M370 HydrophobicContact CG-CG 4.01Å; T338-M370 HydrophobicContact CG2-SD 3.76Å; F339-M370 HydrophobicContact CD1-CE 3.94Å; F339-M370 HydrophobicContact CD1-SD 4.13Å; F339-M370 HydrophobicContact CE1-CE 3.9Å; F339-M370 HydrophobicContact CE1-SD 4.05Å; K342-M370 HydrophobicContact CG-CE 4.2Å; K342-M370 HydrophobicContact CG-SD 3.97Å; W348-M370 HydrophobicContact CH2-CE 4.46Å; W348-M370 HydrophobicContact CZ3-CE 4.36Å; W364-M370 HydrophobicContact CH2-CB 4.02Å; W364-M370 HydrophobicContact CH2-CE 3.95Å; W364-M370 HydrophobicContact CH2-CG 4.27Å; W364-M370 HydrophobicContact CZ3-CB 3.97Å; W364-M370 HydrophobicContact CZ3-CG 4.35Å; G366-M370 PolarHBondContact O-N 2.77Å; G367-M370 WeakPolarHBondContact O-CB 3.45Å; G367-M370 PolarHBondContact O-N 2.97Å; G367-M370 VanDerWaalsContact O-N 3.09Å; K368-M370 VanDerWaalsContact C-N 3.3Å; K368-M370 PolarHBondContact O-N 3.18Å; M370-E372 PolarHBondContact O-N 2.85Å; M370-T373 WeakPolarHBondContact O-CA 3.2Å; M370-T373 WeakPolarHBondContact O-CB 3.34Å; M370-T373 PolarHBondContact O-N 3.17Å; M370-V374 PolarHBondContact O-N 3.07Å
371	L	90.8	Very high	87.9	Confident	8 Å²	8	46.5 Å²	46.5	4%	0.042	23%	0.233	C	C	.	.	H	α-helix	trans	-53.3	-48.6	177.9	-178.2	72.8	0	0	0	112.7	P115 D142 Y143 L145 G367 K368 T373 V374 K375	P115-L371 HydrophobicContact CB-CD1 4.43Å; P115-L371 HydrophobicContact CG-CB 4.33Å; D142-L371 WeakPolarHBondContact O-CD2 3.41Å; Y143-L371 HydrophobicContact CD1-CB 4.39Å; Y143-L371 HydrophobicContact CD1-CD2 3.89Å; Y143-L371 HydrophobicContact CE1-CB 4.47Å; Y143-L371 HydrophobicContact CE1-CD2 4.11Å; Y143-L371 HydrophobicContact CG-CD2 4.15Å; L145-L371 HydrophobicContact CD1-CD1 4.12Å; L145-L371 HydrophobicContact CD2-CD1 4Å; L145-L371 HydrophobicContact CG-CD1 4.06Å; G367-L371 WeakPolarHBondContact O-CB 3.39Å; G367-L371 PolarHBondContact O-N 3.38Å; K368-L371 PolarHBondContact O-N 2.6Å; L371-T373 PolarHBondContact O-N 3.21Å; L371-V374 PolarHBondContact O-N 2.89Å; L371-K375 PolarHBondContact O-N 2.69Å
372	E	90.2	Very high	88.2	Confident	104 Å²	104	44.9 Å²	44.9	49%	0.486	22%	0.221	S	C	.	.	H	α-helix	trans	-58.4	-32.1	175.6	-74.7	170	179.4	0	0	112.4	K368 M370 K376	K368-E372 WeakPolarHBondContact CE-OE1 3.44Å; K368-E372 HydrophobicContact CG-CG 4.31Å; K368-E372 WeakPolarHBondContact CG-OE1 3.37Å; K368-E372 WeakPolarHBondContact O-CB 3.23Å; K368-E372 VanDerWaalsContact O-CG 3.3Å; K368-E372 WeakPolarHBondContact O-CG 3.32Å; K368-E372 PolarHBondContact O-N 2.7Å; M370-E372 PolarHBondContact O-N 2.85Å; E372-K376 WeakPolarHBondContact O-CB 3.48Å; E372-K376 PolarHBondContact O-N 3.19Å; E372-K376 VanDerWaalsContact O-N 3.1Å
373	T	91.1	Very high	88.5	Confident	16 Å²	16	37.1 Å²	37.1	10%	0.098	19%	0.187	C	C	.	.	H	α-helix	trans	-80.2	-35	179.6	-51	0	0	0	0	111.9	T338 K342 S369 M370 L371 K376 F377	T338-T373 HydrophobicContact CG2-CG2 3.95Å; K342-T373 HydrophobicContact CD-CG2 4.35Å; K342-T373 WeakPolarHBondContact CE-OG1 3.2Å; K342-T373 HydrophobicContact CG-CG2 4.41Å; K342-T373 PolarHBondContact NZ-OG1 2.72Å; S369-T373 PolarHBondContact O-N 3.15Å; S369-T373 PolarHBondContact O-OG1 3.42Å; M370-T373 WeakPolarHBondContact O-CA 3.2Å; M370-T373 WeakPolarHBondContact O-CB 3.34Å; M370-T373 PolarHBondContact O-N 3.17Å; L371-T373 PolarHBondContact O-N 3.21Å; T373-K376 PolarHBondContact O-N 3.38Å; T373-F377 HydrophobicContact CG2-CD2 3.92Å; T373-F377 HydrophobicContact CG2-CE2 3.9Å; T373-F377 WeakPolarHBondContact O-CD2 3.48Å
374	V	91.4	Very high	88.3	Confident	1 Å²	1	37 Å²	37	1%	0.006	19%	0.187	C	C	.	.	H	α-helix	trans	-65.2	-43.2	171.4	-178.2	0	0	0	0	110.9	L117 L145 L334 T338 M370 L371 F388	L117-V374 HydrophobicContact CD2-CG1 4.19Å; L145-V374 HydrophobicContact CD1-CB 4.05Å; L145-V374 HydrophobicContact CD1-CG1 3.43Å; L145-V374 VanDerWaalsContact CD1-CG1 3.43Å; L334-V374 HydrophobicContact CD2-CG1 3.94Å; L334-V374 HydrophobicContact CG-CG1 4.28Å; T338-V374 HydrophobicContact CG2-CG2 3.71Å; M370-V374 PolarHBondContact O-N 3.07Å; L371-V374 PolarHBondContact O-N 2.89Å; V374-F388 HydrophobicContact CG1-CD2 4.25Å; V374-F388 HydrophobicContact CG1-CE2 3.93Å
375	K	90.5	Very high	88.1	Confident	51 Å²	51	40 Å²	40	22%	0.222	20%	0.201	C	C	.	.	H	α-helix	trans	-65.3	-37.9	176.2	-71.8	-171.4	-179.3	-176.7	0	112.7	L145 L371 F377 F388 D390	L145-K375 HydrophobicContact CD2-CD 4.26Å; L145-K375 HydrophobicContact CD2-CG 3.88Å; L371-K375 PolarHBondContact O-N 2.69Å; K375-F377 PolarHBondContact O-N 2.99Å; K375-F388 HydrophobicContact CG-CB 4.37Å; K375-D390 PolarHBondContact NZ-O 3.44Å
376	K	89	Confident	88.3	Confident	155 Å²	155	33 Å²	33	67%	0.674	17%	0.168	S	C	*	.	H	α-helix	trans	-70.2	-22.1	-173	-177.8	176.8	177.8	-176.6	0	115.2	E372 T373	E372-K376 WeakPolarHBondContact O-CB 3.48Å; E372-K376 PolarHBondContact O-N 3.19Å; E372-K376 VanDerWaalsContact O-N 3.1Å; T373-K376 PolarHBondContact O-N 3.38Å
377	F	83.1	Confident	88.5	Confident	54 Å²	54	36 Å²	36	24%	0.237	18%	0.182	C	C	.	.			trans	-132.6	115.7	-169.4	-60.6	-52.9	0	0	0	112.3	L334 R341 T373 K375	L334-F377 WeakPolarHBondContact CD1-O 3.44Å; R341-F377 VanDerWaalsContact NH1-CE1 3.34Å; T373-F377 HydrophobicContact CG2-CD2 3.92Å; T373-F377 HydrophobicContact CG2-CE2 3.9Å; T373-F377 WeakPolarHBondContact O-CD2 3.48Å; K375-F377 PolarHBondContact O-N 2.99Å
378	G	86.1	Confident	88.6	Confident	25 Å²	25	36.8 Å²	36.8	26%	0.258	19%	0.185	S	C	.	.			trans	-79.9	167.9	171.3	0	0	0	0	0	114.2	L386	G378-L386 CarbonylContact C-O 3.55Å; G378-L386 WeakPolarHBondContact CA-O 3.44Å
379	V	88.3	Confident	88.5	Confident	10 Å²	10	35.3 Å²	35.3	6%	0.061	18%	0.183	C	C	.	.	B	Isolated β-bridge	trans	-131.7	149.2	172.6	-69.2	0	0	0	0	111.6	L333 L334 N337 F385 L386	L333-V379 HydrophobicContact CD2-CB 4.3Å; L333-V379 HydrophobicContact CD2-CG2 4.4Å; L333-V379 HydrophobicContact CG-CB 4.27Å; L333-V379 HydrophobicContact CG-CG1 4.4Å; L333-V379 HydrophobicContact CG-CG2 4.35Å; L334-V379 HydrophobicContact CB-CG1 4.38Å; L334-V379 HydrophobicContact CB-CG2 3.78Å; L334-V379 HydrophobicContact CD1-CG1 4Å; L334-V379 HydrophobicContact CD1-CG2 4.28Å; N337-V379 HydrophobicContact CB-CG1 4.01Å; N337-V379 VanDerWaalsContact ND2-CG1 3.33Å; N337-V379 WeakPolarHBondContact ND2-CG1 3.25Å; V379-F385 WeakPolarHBondContact O-CA 3.48Å; V379-F385 VanDerWaalsContact O-CD2 3.27Å; V379-F385 WeakPolarHBondContact O-CD2 3.45Å; V379-L386 HydrophobicContact CG2-CB 4.18Å; V379-L386 PolarHBondContact N-O 3.19Å; V379-L386 PolarHBondContact O-N 3.07Å
380	S	86.9	Confident	88.2	Confident	22 Å²	22	40.9 Å²	40.9	15%	0.154	21%	0.21	C	C	.	.			trans	-101.5	121.4	172	-174.6	0	0	0	0	110.3	K301 S384	K301-S380 WeakPolarHBondContact CB-O 3.45Å; K301-S380 WeakPolarHBondContact CG-O 3.47Å; S380-S384 WeakPolarHBondContact CA-O 3.3Å; S380-S384 WeakPolarHBondContact CB-O 3.41Å; S380-S384 PolarHBondContact OG-O 3.21Å
381	G	85.3	Confident	87.7	Confident	1 Å²	1	46 Å²	46	1%	0.01	24%	0.237	C	C	.	.	S	Bend	trans	-143.2	-143.9	-173.9	0	0	0	0	0	113.2	D330 T383 S384	D330-G381 WeakPolarHBondContact OD1-CA 3.35Å; G381-T383 VanDerWaalsContact C-N 3.26Å; G381-T383 PolarHBondContact O-N 3.32Å; G381-S384 PolarHBondContact N-O 2.88Å; G381-S384 PolarHBondContact O-N 3.15Å
382	L	85.9	Confident	87.5	Confident	8 Å²	8	45.6 Å²	45.6	4%	0.042	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-21.2	179.1	-64.5	-178.4	0	0	0	113.3	I306 L310 C311 L321 R326 Y329 D330	I306-L382 HydrophobicContact CD1-CD2 4.44Å; I306-L382 HydrophobicContact CG2-CD2 3.99Å; L310-L382 HydrophobicContact CB-CD1 4.27Å; L310-L382 HydrophobicContact CB-CD2 4.33Å; C311-L382 HydrophobicContact CB-CD2 4.05Å; L321-L382 HydrophobicContact CD1-CD1 4.5Å; R326-L382 HydrophobicContact CB-CB 4.05Å; R326-L382 HydrophobicContact CG-CB 4.32Å; Y329-L382 HydrophobicContact CD1-CD1 4.07Å; Y329-L382 HydrophobicContact CD1-CG 4.15Å; Y329-L382 HydrophobicContact CD2-CD1 4.45Å; Y329-L382 HydrophobicContact CG-CD1 3.85Å; Y329-L382 HydrophobicContact CG-CG 4.43Å; D330-L382 VanDerWaalsContact CG-N 3.32Å; D330-L382 PolarHBondContact OD1-N 3.32Å; D330-L382 PolarHBondContact OD2-N 2.75Å
383	T	87.9	Confident	87.4	Confident	8 Å²	8	41.9 Å²	41.9	5%	0.049	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.4	15.9	178.6	65.2	0	0	0	0	113.3	F289 R326 Y327 D330 G381 F385	F289-T383 HydrophobicContact CD1-CG2 4.3Å; F289-T383 HydrophobicContact CE1-CG2 3.89Å; F289-T383 HydrophobicContact CZ-CG2 4.39Å; R326-T383 HydrophobicContact CB-CG2 3.73Å; Y327-T383 HydrophobicContact CD1-CG2 3.71Å; Y327-T383 HydrophobicContact CD2-CG2 4.31Å; Y327-T383 HydrophobicContact CE1-CG2 3.74Å; Y327-T383 HydrophobicContact CE2-CG2 4.34Å; Y327-T383 HydrophobicContact CG-CG2 4.01Å; D330-T383 WeakPolarHBondContact OD2-CB 3.33Å; D330-T383 WeakPolarHBondContact OD2-CG2 3.38Å; D330-T383 PolarHBondContact OD2-N 3.19Å; D330-T383 PolarHBondContact OD2-OG1 3.39Å; G381-T383 VanDerWaalsContact C-N 3.26Å; G381-T383 PolarHBondContact O-N 3.32Å; T383-F385 VanDerWaalsContact C-N 3.32Å; T383-F385 PolarHBondContact O-N 2.98Å; T383-F385 VanDerWaalsContact O-N 3.09Å
384	S	83.8	Confident	87.3	Confident	32 Å²	32	41.1 Å²	41.1	22%	0.224	22%	0.215	C	C	.	.	S	Bend	trans	71.9	-66.3	-170.4	-165.6	0	0	0	0	114.3	P290 S380 G381	P290-S384 VanDerWaalsContact O-CB 3.25Å; P290-S384 WeakPolarHBondContact O-CB 3.41Å; P290-S384 PolarHBondContact O-OG 2.65Å; S380-S384 WeakPolarHBondContact CA-O 3.3Å; S380-S384 WeakPolarHBondContact CB-O 3.41Å; S380-S384 PolarHBondContact OG-O 3.21Å; G381-S384 PolarHBondContact N-O 2.88Å; G381-S384 PolarHBondContact O-N 3.15Å
385	F	87.3	Confident	87.2	Confident	76 Å²	76	43.6 Å²	43.6	33%	0.333	23%	0.231	S	C	.	.			trans	-151.1	121.3	178.3	-164.7	-117.5	0	0	0	111.9	V379 T383 E387 N396	V379-F385 WeakPolarHBondContact O-CA 3.48Å; V379-F385 VanDerWaalsContact O-CD2 3.27Å; V379-F385 WeakPolarHBondContact O-CD2 3.45Å; T383-F385 VanDerWaalsContact C-N 3.32Å; T383-F385 PolarHBondContact O-N 2.98Å; T383-F385 VanDerWaalsContact O-N 3.09Å; F385-E387 HydrophobicContact CD1-CB 4.34Å; F385-E387 HydrophobicContact CD1-CG 4.38Å; F385-E387 WeakPolarHBondContact CD1-OE1 3.39Å; F385-E387 HydrophobicContact CE1-CB 3.94Å; F385-E387 HydrophobicContact CE1-CG 4.23Å; F385-N396 PolarHBondContact O-ND2 2.91Å; F385-N396 VanDerWaalsContact O-ND2 3.16Å
386	L	91.2	Very high	87.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-105.3	120.7	176.8	174.5	61.8	0	0	0	108.9	V147 D330 L334 G378 V379 F388 N394	V147-L386 HydrophobicContact CG1-CD1 4.09Å; V147-L386 HydrophobicContact CG1-CD2 4.22Å; D330-L386 HydrophobicContact CB-CD2 4Å; L334-L386 HydrophobicContact CB-CD2 4.4Å; L334-L386 HydrophobicContact CD2-CD2 4.01Å; L334-L386 HydrophobicContact CD2-CG 4.28Å; G378-L386 CarbonylContact C-O 3.55Å; G378-L386 WeakPolarHBondContact CA-O 3.44Å; V379-L386 HydrophobicContact CG2-CB 4.18Å; V379-L386 PolarHBondContact N-O 3.19Å; V379-L386 PolarHBondContact O-N 3.07Å; L386-F388 HydrophobicContact CD1-CZ 4.36Å; L386-N394 HydrophobicContact CD1-CB 4.37Å; L386-N394 WeakPolarHBondContact CD1-ND2 3.47Å
387	E	91.9	Very high	87.2	Confident	67 Å²	67	35.9 Å²	35.9	31%	0.313	20%	0.2	S	C	.	.			trans	-145.1	173.2	174.4	73.8	-165.8	127.4	0	0	109.8	F385 N394 P395 N396	F385-E387 HydrophobicContact CD1-CB 4.34Å; F385-E387 HydrophobicContact CD1-CG 4.38Å; F385-E387 WeakPolarHBondContact CD1-OE1 3.39Å; F385-E387 HydrophobicContact CE1-CB 3.94Å; F385-E387 HydrophobicContact CE1-CG 4.23Å; E387-N394 WeakPolarHBondContact O-CA 3.12Å; E387-P395 HydrophobicContact CG-CG 4Å; E387-N396 PolarHBondContact OE1-ND2 2.91Å
388	F	91.2	Very high	87.6	Confident	16 Å²	16	36.5 Å²	36.5	7%	0.07	20%	0.202	C	C	.	.			trans	-129.5	139.4	177.4	-63.6	-66.1	0	0	0	111.7	L145 V147 L334 V374 K375 L386	L145-F388 HydrophobicContact CB-CD1 4.25Å; L145-F388 HydrophobicContact CB-CE1 3.82Å; L145-F388 HydrophobicContact CB-CE2 4.1Å; L145-F388 HydrophobicContact CB-CZ 3.74Å; L145-F388 HydrophobicContact CD1-CD2 3.94Å; L145-F388 HydrophobicContact CD1-CE2 3.72Å; L145-F388 HydrophobicContact CD1-CZ 4.22Å; L145-F388 HydrophobicContact CD2-CG 4.46Å; L145-F388 HydrophobicContact CG-CE2 4.44Å; V147-F388 HydrophobicContact CG2-CZ 4.22Å; L334-F388 HydrophobicContact CD2-CD2 4.37Å; L334-F388 HydrophobicContact CD2-CE2 3.58Å; L334-F388 HydrophobicContact CD2-CZ 4.34Å; V374-F388 HydrophobicContact CG1-CD2 4.25Å; V374-F388 HydrophobicContact CG1-CE2 3.93Å; K375-F388 HydrophobicContact CG-CB 4.37Å; L386-F388 HydrophobicContact CD1-CZ 4.36Å
389	T	87.3	Confident	88	Confident	49 Å²	49	35.3 Å²	35.3	30%	0.301	19%	0.19	S	C	.	.			trans	-68.7	167.3	163.5	60.8	0	0	0	0	111	N391 G392 T393 P395	T389-N391 PolarHBondContact O-N 3.11Å; T389-N391 VanDerWaalsContact O-N 3.15Å; T389-G392 PolarHBondContact O-N 3.43Å; T389-T393 PolarHBondContact N-O 3.29Å; T389-T393 PolarHBondContact OG1-N 2.81Å; T389-T393 PolarHBondContact OG1-O 2.67Å; T389-T393 VanDerWaalsContact OG1-O 3.1Å; T389-T393 PolarHBondContact OG1-OG1 3.4Å; T389-P395 HydrophobicContact CG2-CB 4.3Å; T389-P395 HydrophobicContact CG2-CG 4.35Å
390	D	83.4	Confident	88.2	Confident	151 Å²	151	35.9 Å²	35.9	81%	0.807	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-36.7	171.1	-61.4	-58.3	0	0	0	111.8	K375 G392	K375-D390 PolarHBondContact NZ-O 3.44Å; D390-G392 PolarHBondContact O-N 2.98Å; D390-G392 VanDerWaalsContact O-N 3.09Å
391	N	80.2	Confident	88.5	Confident	112 Å²	112	34.9 Å²	34.9	60%	0.599	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.5	8	174	-69.5	-21.3	0	0	0	114.2	R136 T389 T393	R136-N391 VanDerWaalsContact CZ-O 3.24Å; R136-N391 PolarHBondContact NH1-O 2.81Å; R136-N391 VanDerWaalsContact NH1-O 3.14Å; R136-N391 PolarHBondContact NH2-O 2.63Å; T389-N391 PolarHBondContact O-N 3.11Å; T389-N391 VanDerWaalsContact O-N 3.15Å; N391-T393 PolarHBondContact O-N 3.24Å; N391-T393 VanDerWaalsContact O-N 3.16Å
392	G	85	Confident	88.8	Confident	0 Å²	0	35.3 Å²	35.3	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	67.7	12.5	175	0	0	0	0	0	115.3	L145 M146 T389 D390	L145-G392 CarbonylContact C-O 3.49Å; L145-G392 WeakPolarHBondContact CA-O 3.46Å; M146-G392 PolarHBondContact N-O 3.02Å; T389-G392 PolarHBondContact O-N 3.43Å; D390-G392 PolarHBondContact O-N 2.98Å; D390-G392 VanDerWaalsContact O-N 3.09Å
393	T	88.1	Confident	88.9	Confident	25 Å²	25	35 Å²	35	15%	0.153	19%	0.185	C	C	.	.	B	Isolated β-bridge	trans	-104.8	141.8	178.5	56.7	0	0	0	0	111.3	M146 T389 N391	M146-T393 HydrophobicContact CB-CG2 4.3Å; M146-T393 HydrophobicContact SD-CG2 4.05Å; T389-T393 PolarHBondContact N-O 3.29Å; T389-T393 PolarHBondContact OG1-N 2.81Å; T389-T393 PolarHBondContact OG1-O 2.67Å; T389-T393 VanDerWaalsContact OG1-O 3.1Å; T389-T393 PolarHBondContact OG1-OG1 3.4Å; N391-T393 PolarHBondContact O-N 3.24Å; N391-T393 VanDerWaalsContact O-N 3.16Å
394	N	90	Very high	88.6	Confident	1 Å²	1	35.1 Å²	35.1	1%	0.005	19%	0.187	C	C	.	.			trans	-72.3	123.2	169.5	-179.2	-1.7	0	0	0	110.5	M146 V147 P149 P150 L386 E387 N396	M146-N394 PolarHBondContact O-N 2.98Å; M146-N394 VanDerWaalsContact O-N 3.16Å; V147-N394 WeakPolarHBondContact O-CB 3.29Å; V147-N394 PolarHBondContact O-ND2 3.1Å; P149-N394 WeakPolarHBondContact CA-O 3.4Å; P149-N394 WeakPolarHBondContact CB-O 3.35Å; P149-N394 HydrophobicContact CG-CB 4.23Å; P150-N394 WeakPolarHBondContact CD-O 3.1Å; L386-N394 HydrophobicContact CD1-CB 4.37Å; L386-N394 WeakPolarHBondContact CD1-ND2 3.47Å; E387-N394 WeakPolarHBondContact O-CA 3.12Å; N394-N396 PolarHBondContact OD1-N 3.29Å
395	P	88.7	Confident	87.7	Confident	53 Å²	53	36.8 Å²	36.8	34%	0.344	19%	0.193	S	C	.	.			trans	-83.5	-18.5	178.9	33.9	-35.1	0	0	0	113.8	E387 T389 I397	E387-P395 HydrophobicContact CG-CG 4Å; T389-P395 HydrophobicContact CG2-CB 4.3Å; T389-P395 HydrophobicContact CG2-CG 4.35Å; P395-I397 PolarHBondContact O-N 3.37Å; P395-I397 VanDerWaalsContact O-N 3.08Å
396	N	88.9	Confident	86.2	Confident	43 Å²	43	39.6 Å²	39.6	23%	0.23	20%	0.202	C	C	.	.			trans	-84.4	91.1	-164.9	-69.3	-42	0	0	0	112.4	P149 F385 E387 N394	P149-N396 WeakPolarHBondContact CG-O 3.19Å; F385-N396 PolarHBondContact O-ND2 2.91Å; F385-N396 VanDerWaalsContact O-ND2 3.16Å; E387-N396 PolarHBondContact OE1-ND2 2.91Å; N394-N396 PolarHBondContact OD1-N 3.29Å
397	I	90.3	Very high	84	Confident	1 Å²	1	41.5 Å²	41.5	1%	0.005	22%	0.222	C	C	.	.			trans	-131.4	137.6	171.8	-168.9	163.2	0	0	0	111.4	P149 F152 Q287 P395 F399 P422	P149-I397 HydrophobicContact CB-CB 3.78Å; P149-I397 HydrophobicContact CB-CD1 4.16Å; P149-I397 HydrophobicContact CB-CG1 4.49Å; P149-I397 HydrophobicContact CB-CG2 4.19Å; P149-I397 HydrophobicContact CG-CB 3.9Å; F152-I397 HydrophobicContact CD2-CG2 3.68Å; F152-I397 HydrophobicContact CE2-CG2 3.84Å; Q287-I397 HydrophobicContact CG-CG1 4.29Å; P395-I397 PolarHBondContact O-N 3.37Å; P395-I397 VanDerWaalsContact O-N 3.08Å; I397-F399 HydrophobicContact CD1-CD2 4.47Å; I397-F399 HydrophobicContact CD1-CE2 3.48Å; I397-F399 VanDerWaalsContact CD1-CE2 3.48Å; I397-F399 HydrophobicContact CD1-CZ 3.69Å; I397-F399 HydrophobicContact CG1-CD2 4.2Å; I397-F399 HydrophobicContact CG1-CE2 3.66Å; I397-F399 HydrophobicContact CG1-CZ 4.25Å; I397-P422 HydrophobicContact CG2-CG 3.59Å; I397-P422 WeakPolarHBondContact O-CD 3.27Å
398	F	92.1	Very high	81.7	Confident	66 Å²	66	47.2 Å²	47.2	29%	0.289	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.1	136.5	177.8	-59.7	-88.8	0	0	0	108.4	M288 P290 D421	M288-F398 HydrophobicContact CG-CB 3.79Å; M288-F398 PolarHBondContact N-O 3.19Å; P290-F398 HydrophobicContact CG-CB 4.43Å; P290-F398 HydrophobicContact CG-CD1 4.35Å; P290-F398 HydrophobicContact CG-CD2 3.51Å; P290-F398 HydrophobicContact CG-CE2 3.78Å; P290-F398 HydrophobicContact CG-CG 3.83Å; P290-F398 HydrophobicContact CG-CZ 4.32Å; F398-D421 HydrophobicContact CD1-CB 3.75Å; F398-D421 HydrophobicContact CE1-CB 3.96Å
399	F	93.9	Very high	79.3	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	143.7	173	-72.1	-93.3	0	0	0	110.2	F152 L153 V156 E264 V285 R286 I397 T419 W420	F152-F399 HydrophobicContact CB-CE2 4.25Å; L153-F399 HydrophobicContact CD2-CE1 3.59Å; L153-F399 HydrophobicContact CD2-CZ 3.76Å; V156-F399 HydrophobicContact CG2-CD2 3.89Å; V156-F399 HydrophobicContact CG2-CE2 4.1Å; V156-F399 HydrophobicContact CG2-CG 4.21Å; E264-F399 HydrophobicContact CG-CE1 4.15Å; E264-F399 HydrophobicContact CG-CZ 4.34Å; V285-F399 HydrophobicContact CG1-CD1 3.95Å; R286-F399 VanDerWaalsContact O-CA 3.3Å; R286-F399 WeakPolarHBondContact O-CA 3.26Å; R286-F399 WeakPolarHBondContact O-CD1 3.34Å; I397-F399 HydrophobicContact CD1-CD2 4.47Å; I397-F399 HydrophobicContact CD1-CE2 3.48Å; I397-F399 VanDerWaalsContact CD1-CE2 3.48Å; I397-F399 HydrophobicContact CD1-CZ 3.69Å; I397-F399 HydrophobicContact CG1-CD2 4.2Å; I397-F399 HydrophobicContact CG1-CE2 3.66Å; I397-F399 HydrophobicContact CG1-CZ 4.25Å; F399-T419 CarbonylContact O-C 3.51Å; F399-T419 VanDerWaalsContact O-CA 3.25Å; F399-T419 WeakPolarHBondContact O-CA 3.39Å; F399-W420 HydrophobicContact CB-CB 4.41Å; F399-W420 AromaticContact CD2-CE3 3.84Å; F399-W420 HydrophobicContact CD2-CE3 3.84Å; F399-W420 HydrophobicContact CD2-CZ3 4.17Å; F399-W420 HydrophobicContact CE2-CE3 4.5Å; F399-W420 HydrophobicContact CE2-CZ3 4.39Å; F399-W420 PolarHBondContact N-O 2.95Å; F399-W420 PolarHBondContact O-N 2.89Å
400	E	92.9	Very high	77.1	Confident	23 Å²	23	62.7 Å²	62.7	11%	0.107	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	139.1	162.5	63.8	178.7	-172.5	0	0	110.9	R286 M288 L402 R416 T419	R286-E400 HydrophobicContact CG-CG 3.96Å; R286-E400 IonicContact CZ-OE1 2.63Å; R286-E400 VanDerWaalsContact CZ-OE1 3.26Å; R286-E400 PolarHBondContact N-O 2.81Å; R286-E400 IonicContact NE-OE1 3.42Å; R286-E400 PolarHBondContact NE-OE1 3.07Å; R286-E400 IonicContact NH2-OE1 3.99Å; R286-E400 PolarHBondContact NH2-OE1 3Å; R286-E400 PolarHBondContact O-N 3.4Å; M288-E400 HydrophobicContact CB-CB 4.5Å; M288-E400 HydrophobicContact CB-CG 4.15Å; M288-E400 HydrophobicContact CG-CB 4.33Å; M288-E400 HydrophobicContact SD-CB 3.88Å; M288-E400 HydrophobicContact SD-CG 4.47Å; E400-L402 HydrophobicContact CB-CD2 4.43Å; E400-L402 HydrophobicContact CG-CD2 4.08Å; E400-L402 HydrophobicContact CG-CG 4.27Å; E400-R416 HydrophobicContact CB-CG 4.27Å; E400-R416 WeakPolarHBondContact OE2-CD 3.32Å; E400-R416 IonicContact OE2-NH1 2.7Å; E400-T419 HydrophobicContact CB-CG2 4.41Å
401	I	93.8	Very high	75.5	Confident	1 Å²	1	58.3 Å²	58.3	1%	0.005	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	111.2	-179.9	-56.8	166.6	0	0	0	106.9	V160 T283 V285 L417 A418 L426 L430	V160-I401 HydrophobicContact CG2-CD1 3.78Å; V160-I401 HydrophobicContact CG2-CG1 4.49Å; T283-I401 HydrophobicContact CG2-CG2 3.8Å; V285-I401 HydrophobicContact CG2-CG1 4.26Å; V285-I401 HydrophobicContact CG2-CG2 4.36Å; I401-L417 PolarHBondContact O-N 2.86Å; I401-A418 HydrophobicContact CB-CB 4.48Å; I401-A418 HydrophobicContact CD1-CB 4.38Å; I401-A418 PolarHBondContact N-O 3.42Å; I401-A418 PolarHBondContact O-N 3.4Å; I401-L426 HydrophobicContact CD1-CD1 3.52Å; I401-L430 HydrophobicContact CB-CD2 4.19Å; I401-L430 HydrophobicContact CD1-CD2 4.31Å; I401-L430 HydrophobicContact CG2-CD2 3.64Å
402	L	91.3	Very high	74.6	Confident	9 Å²	9	56.8 Å²	56.8	5%	0.047	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	142.5	-174.7	-55.1	-177.5	0	0	0	109.7	L271 T283 L284 E400 V414 R416	L271-L402 HydrophobicContact CD1-CD1 3.89Å; L271-L402 HydrophobicContact CD2-CD1 3.71Å; L271-L402 HydrophobicContact CG-CD1 4.47Å; T283-L402 CarbonylContact C-O 3.59Å; T283-L402 VanDerWaalsContact CA-O 3.3Å; T283-L402 WeakPolarHBondContact CA-O 3.47Å; L284-L402 HydrophobicContact CB-CB 4.4Å; L284-L402 PolarHBondContact N-O 2.88Å; L284-L402 PolarHBondContact O-N 3.41Å; E400-L402 HydrophobicContact CB-CD2 4.43Å; E400-L402 HydrophobicContact CG-CD2 4.08Å; E400-L402 HydrophobicContact CG-CG 4.27Å; L402-V414 HydrophobicContact CB-CG1 3.77Å; L402-V414 HydrophobicContact CD1-CG1 4.27Å; L402-V414 HydrophobicContact CG-CG1 4.43Å; L402-R416 HydrophobicContact CD2-CB 3.7Å; L402-R416 HydrophobicContact CD2-CG 3.97Å
403	G	88.1	Confident	73.7	Confident	1 Å²	1	58.2 Å²	58.2	1%	0.01	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	143.5	176.1	0	0	0	0	0	112	S415	G403-S415 PolarHBondContact N-O 2.96Å; G403-S415 PolarHBondContact O-N 3.23Å
404	T	81.9	Confident	73.3	Confident	12 Å²	12	59.5 Å²	59.5	7%	0.074	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	129.4	166.1	50.7	0	0	0	0	110.7	V275 L282 G413	V275-T404 HydrophobicContact CB-CG2 4.4Å; V275-T404 HydrophobicContact CG1-CG2 3.86Å; V275-T404 HydrophobicContact CG2-CG2 3.89Å; L282-T404 HydrophobicContact CB-CG2 3.81Å; L282-T404 PolarHBondContact N-OG1 2.86Å; L282-T404 VanDerWaalsContact N-OG1 3.1Å; L282-T404 PolarHBondContact O-N 3.46Å; L282-T404 PolarHBondContact O-OG1 2.86Å; T404-G413 WeakPolarHBondContact CA-O 3.28Å
405	N	64.6	Low	72.9	Confident	67 Å²	67	61.4 Å²	61.4	36%	0.358	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	130.3	178	-175.3	-0.7	0	0	0	110.4	G407 G413	N405-G407 PolarHBondContact O-N 2.72Å; N405-G413 PolarHBondContact N-O 3.42Å
406	Y	56.2	Low	72.9	Confident	134 Å²	134	65.8 Å²	65.8	53%	0.525	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	69.7	177.7	-63.6	-84.7	0	0	0	110.1	G280 R281	G280-Y406 VanDerWaalsContact C-OH 3.23Å; G280-Y406 PolarHBondContact O-OH 2.68Å; R281-Y406 PolarHBondContact N-OH 3.38Å
407	G	45	Very low	72.8	Confident	40 Å²	40	65.4 Å²	65.4	41%	0.412	33%	0.332	S	S	.	.			trans	-88.6	138.6	176	0	0	0	0	0	112.4	N405 D409	N405-G407 PolarHBondContact O-N 2.72Å; G407-D409 VanDerWaalsContact C-N 3.33Å; G407-D409 PolarHBondContact O-N 3.47Å
408	E	43.2	Very low	72.9	Confident	187 Å²	187	65.5 Å²	65.5	87%	0.874	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-33.8	-166.9	-63.8	174.2	113.7	0	0	115.3
409	D	39.5	Very low	72.9	Confident	157 Å²	157	64.1 Å²	64.1	84%	0.84	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.9	-18.4	-164.4	-91.9	-32.5	0	0	0	117	G407	G407-D409 VanDerWaalsContact C-N 3.33Å; G407-D409 PolarHBondContact O-N 3.47Å
410	R	41.3	Very low	72.9	Confident	233 Å²	233	65 Å²	65	88%	0.879	33%	0.334	S	S	*	.	S	Bend	trans	-143.4	41.2	-165.5	-67.7	-167	179.5	170.4	2.5	116.8
411	G	50.9	Low	72.8	Confident	59 Å²	59	64.7 Å²	64.7	61%	0.608	33%	0.333	S	S	*	.	S	Bend	trans	67	-165.7	170.3	0	0	0	0	0	114.2	G413	G411-G413 PolarHBondContact O-N 3.16Å
412	R	60.1	Low	72.6	Confident	80 Å²	80	67.2 Å²	67.2	30%	0.302	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.7	89.7	176.6	-79.9	-159.9	-82	-104.1	-2.7	110.7	V275 M276 S278 I279	V275-R412 HydrophobicContact CG1-CB 3.83Å; V275-R412 WeakPolarHBondContact CG1-O 3.32Å; V275-R412 WeakPolarHBondContact O-CD 3.46Å; V275-R412 PolarHBondContact O-NE 2.84Å; M276-R412 PolarHBondContact O-NH2 3.42Å; S278-R412 PolarHBondContact O-NE 2.94Å; S278-R412 VanDerWaalsContact O-NE 3.1Å; S278-R412 PolarHBondContact O-NH1 3.5Å; S278-R412 PolarHBondContact O-NH2 2.92Å; S278-R412 VanDerWaalsContact O-NH2 3.13Å; I279-R412 PolarHBondContact O-NH1 3.15Å
413	G	66.3	Low	72.4	Confident	31 Å²	31	72.7 Å²	72.7	32%	0.32	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	161.3	172.2	0	0	0	0	0	112.6	T404 N405 G411	T404-G413 WeakPolarHBondContact CA-O 3.28Å; N405-G413 PolarHBondContact N-O 3.42Å; G411-G413 PolarHBondContact O-N 3.16Å
414	V	79.4	Confident	72.4	Confident	52 Å²	52	79.4 Å²	79.4	32%	0.315	41%	0.414	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	136.8	172.4	-178.1	0	0	0	0	109.6	L271 V275 L402	L271-V414 HydrophobicContact CD1-CG1 4.16Å; L271-V414 HydrophobicContact CD1-CG2 4.08Å; L271-V414 HydrophobicContact CD2-CG1 4.38Å; L271-V414 HydrophobicContact CG-CG2 4.25Å; V275-V414 HydrophobicContact CB-CG2 4.26Å; V275-V414 HydrophobicContact CG1-CG2 4.02Å; V275-V414 HydrophobicContact CG2-CG2 3.7Å; L402-V414 HydrophobicContact CB-CG1 3.77Å; L402-V414 HydrophobicContact CD1-CG1 4.27Å; L402-V414 HydrophobicContact CG-CG1 4.43Å
415	S	83.3	Confident	72.7	Confident	40 Å²	40	79.9 Å²	79.9	28%	0.28	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	145.6	168.8	52.3	0	0	0	0	110.9	G403 L417	G403-S415 PolarHBondContact N-O 2.96Å; G403-S415 PolarHBondContact O-N 3.23Å; S415-L417 PolarHBondContact O-N 2.93Å
416	R	87.7	Confident	74	Confident	146 Å²	146	78.3 Å²	78.3	55%	0.551	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.4	119.8	169.4	-174.5	173.1	68.8	-158	3.7	109.6	E400 L402 A418	E400-R416 HydrophobicContact CB-CG 4.27Å; E400-R416 WeakPolarHBondContact OE2-CD 3.32Å; E400-R416 IonicContact OE2-NH1 2.7Å; L402-R416 HydrophobicContact CD2-CB 3.7Å; L402-R416 HydrophobicContact CD2-CG 3.97Å; R416-A418 WeakPolarHBondContact CG-O 3.5Å
417	L	87.8	Confident	75.6	Confident	34 Å²	34	77.2 Å²	77.2	18%	0.178	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	-41	-179.9	-57.1	-179.8	0	0	0	111.4	I401 S415 T429 L430	I401-L417 PolarHBondContact O-N 2.86Å; S415-L417 PolarHBondContact O-N 2.93Å; L417-T429 PolarHBondContact O-N 3.1Å; L417-L430 HydrophobicContact CB-CD2 3.82Å; L417-L430 HydrophobicContact CD1-CD2 4.31Å
418	A	91.1	Very high	77.5	Confident	4 Å²	4	77.1 Å²	77.1	3%	0.033	42%	0.415	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.8	169.1	-178	0	0	0	0	0	111.9	I401 R416 L426 N427 L430	I401-A418 HydrophobicContact CB-CB 4.48Å; I401-A418 HydrophobicContact CD1-CB 4.38Å; I401-A418 PolarHBondContact N-O 3.42Å; I401-A418 PolarHBondContact O-N 3.4Å; R416-A418 WeakPolarHBondContact CG-O 3.5Å; A418-L426 HydrophobicContact CB-CD1 3.55Å; A418-L426 HydrophobicContact CB-CG 4.24Å; A418-N427 WeakPolarHBondContact CA-O 3.44Å; A418-N427 WeakPolarHBondContact CB-O 3.17Å; A418-L430 HydrophobicContact CB-CD2 3.76Å
419	T	92.8	Very high	79.2	Confident	36 Å²	36	71.9 Å²	71.9	22%	0.221	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	153	163.2	48.8	0	0	0	0	109.5	M288 F399 E400 N427	M288-T419 HydrophobicContact SD-CG2 3.91Å; F399-T419 CarbonylContact O-C 3.51Å; F399-T419 VanDerWaalsContact O-CA 3.25Å; F399-T419 WeakPolarHBondContact O-CA 3.39Å; E400-T419 HydrophobicContact CB-CG2 4.41Å; T419-N427 PolarHBondContact N-O 3.13Å; T419-N427 PolarHBondContact O-N 3.05Å
420	W	93.9	Very high	81	Confident	19 Å²	19	64.4 Å²	64.4	7%	0.072	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	141	176.1	-177.3	105.1	0	0	0	110.9	F152 E155 V156 F399 P422 G425 L426	F152-W420 HydrophobicContact CB-CH2 3.81Å; F152-W420 HydrophobicContact CB-CZ3 3.87Å; F152-W420 AromaticContact CD1-CH2 3.79Å; F152-W420 HydrophobicContact CD1-CH2 3.79Å; F152-W420 HydrophobicContact CD1-CZ3 4.42Å; F152-W420 AromaticContact CG-CH2 3.96Å; F152-W420 HydrophobicContact CG-CH2 3.96Å; F152-W420 HydrophobicContact CG-CZ3 4.17Å; E155-W420 HydrophobicContact CB-CH2 4.28Å; E155-W420 HydrophobicContact CB-CZ2 3.87Å; V156-W420 HydrophobicContact CG2-CD2 3.66Å; V156-W420 HydrophobicContact CG2-CE3 3.56Å; V156-W420 HydrophobicContact CG2-CG 4.24Å; V156-W420 HydrophobicContact CG2-CH2 4.15Å; V156-W420 HydrophobicContact CG2-CZ2 4.22Å; V156-W420 HydrophobicContact CG2-CZ3 3.82Å; F399-W420 HydrophobicContact CB-CB 4.41Å; F399-W420 AromaticContact CD2-CE3 3.84Å; F399-W420 HydrophobicContact CD2-CE3 3.84Å; F399-W420 HydrophobicContact CD2-CZ3 4.17Å; F399-W420 HydrophobicContact CE2-CE3 4.5Å; F399-W420 HydrophobicContact CE2-CZ3 4.39Å; F399-W420 PolarHBondContact N-O 2.95Å; F399-W420 PolarHBondContact O-N 2.89Å; W420-P422 HydrophobicContact CH2-CB 4.24Å; W420-P422 HydrophobicContact CH2-CG 4.01Å; W420-P422 HydrophobicContact CZ3-CB 4.47Å; W420-P422 HydrophobicContact CZ3-CG 3.8Å; W420-G425 VanDerWaalsContact CA-O 3.3Å; W420-G425 WeakPolarHBondContact CA-O 3.36Å; W420-G425 VanDerWaalsContact CD1-C 3.49Å; W420-L426 HydrophobicContact CB-CD1 4.46Å
421	D	91.1	Very high	82.1	Confident	17 Å²	17	56.5 Å²	56.5	9%	0.091	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	157.1	171	73.4	-105.6	0	0	0	111.8	F398 V423 H424 G425	F398-D421 HydrophobicContact CD1-CB 3.75Å; F398-D421 HydrophobicContact CE1-CB 3.96Å; D421-V423 PolarHBondContact O-N 3.37Å; D421-V423 VanDerWaalsContact O-N 3.09Å; D421-V423 WeakPolarHBondContact OD2-CA 3.41Å; D421-V423 WeakPolarHBondContact OD2-CB 3.23Å; D421-V423 PolarHBondContact OD2-N 3.23Å; D421-H424 VanDerWaalsContact CG-ND1 3.34Å; D421-H424 IonicContact OD1-CG 2.63Å; D421-H424 IonicContact OD1-ND1 2.74Å; D421-H424 PolarHBondContact OD1-ND1 3.04Å; D421-H424 VanDerWaalsContact OD1-ND1 3.08Å; D421-H424 IonicContact OD2-CE1 2.72Å; D421-H424 IonicContact OD2-CG 3.72Å; D421-H424 PolarHBondContact OD2-N 2.89Å; D421-H424 IonicContact OD2-ND1 3.6Å; D421-H424 PolarHBondContact OD2-ND1 3.35Å; D421-G425 PolarHBondContact N-O 2.79Å; D421-G425 WeakPolarHBondContact O-CA 3.45Å; D421-G425 PolarHBondContact O-N 3.36Å
422	P	88.4	Confident	82.3	Confident	54 Å²	54	57.2 Å²	57.2	35%	0.351	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-9.8	-174.9	-22	33.2	0	0	0	116.2	F152 I397 W420	F152-P422 HydrophobicContact CD1-CG 4.31Å; F152-P422 HydrophobicContact CD2-CG 4.13Å; F152-P422 HydrophobicContact CE1-CB 3.98Å; F152-P422 HydrophobicContact CE1-CG 4.04Å; F152-P422 HydrophobicContact CE2-CG 3.83Å; F152-P422 HydrophobicContact CG-CG 4.34Å; F152-P422 HydrophobicContact CZ-CB 3.97Å; F152-P422 HydrophobicContact CZ-CG 3.78Å; I397-P422 HydrophobicContact CG2-CG 3.59Å; I397-P422 WeakPolarHBondContact O-CD 3.27Å; W420-P422 HydrophobicContact CH2-CB 4.24Å; W420-P422 HydrophobicContact CH2-CG 4.01Å; W420-P422 HydrophobicContact CZ3-CB 4.47Å; W420-P422 HydrophobicContact CZ3-CG 3.8Å
423	V	87.7	Confident	81.5	Confident	123 Å²	123	62.2 Å²	62.2	75%	0.745	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.5	-40.9	-174.9	-179.5	0	0	0	0	111.5	D421	D421-V423 PolarHBondContact O-N 3.37Å; D421-V423 VanDerWaalsContact O-N 3.09Å; D421-V423 WeakPolarHBondContact OD2-CA 3.41Å; D421-V423 WeakPolarHBondContact OD2-CB 3.23Å; D421-V423 PolarHBondContact OD2-N 3.23Å
424	H	88.1	Confident	80.6	Confident	142 Å²	142	68.1 Å²	68.1	66%	0.657	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105	-9.9	-177.6	-46.3	87	0	0	0	113.2	D421	D421-H424 VanDerWaalsContact CG-ND1 3.34Å; D421-H424 IonicContact OD1-CG 2.63Å; D421-H424 IonicContact OD1-ND1 2.74Å; D421-H424 PolarHBondContact OD1-ND1 3.04Å; D421-H424 VanDerWaalsContact OD1-ND1 3.08Å; D421-H424 IonicContact OD2-CE1 2.72Å; D421-H424 IonicContact OD2-CG 3.72Å; D421-H424 PolarHBondContact OD2-N 2.89Å; D421-H424 IonicContact OD2-ND1 3.6Å; D421-H424 PolarHBondContact OD2-ND1 3.35Å
425	G	89.3	Confident	79.1	Confident	23 Å²	23	69.4 Å²	69.4	24%	0.237	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	70.1	-138.8	-176.5	0	0	0	0	0	111.9	W420 D421	W420-G425 VanDerWaalsContact CA-O 3.3Å; W420-G425 WeakPolarHBondContact CA-O 3.36Å; W420-G425 VanDerWaalsContact CD1-C 3.49Å; D421-G425 PolarHBondContact N-O 2.79Å; D421-G425 WeakPolarHBondContact O-CA 3.45Å; D421-G425 PolarHBondContact O-N 3.36Å
426	L	90.8	Very high	77.3	Confident	34 Å²	34	72.3 Å²	72.3	18%	0.178	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	122.6	-179.1	-172.6	69.7	0	0	0	112.1	Q159 E163 I401 A418 W420 L430	Q159-L426 HydrophobicContact CG-CB 3.97Å; Q159-L426 HydrophobicContact CG-CD2 4.12Å; E163-L426 HydrophobicContact CG-CD2 3.6Å; I401-L426 HydrophobicContact CD1-CD1 3.52Å; A418-L426 HydrophobicContact CB-CD1 3.55Å; A418-L426 HydrophobicContact CB-CG 4.24Å; W420-L426 HydrophobicContact CB-CD1 4.46Å; L426-L430 HydrophobicContact CD2-CG 4.39Å
427	N	90	Very high	75.5	Confident	110 Å²	110	68.9 Å²	68.9	59%	0.588	37%	0.366	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.1	98.3	174	-173.5	-3.2	0	0	0	110	A418 T419	A418-N427 WeakPolarHBondContact CA-O 3.44Å; A418-N427 WeakPolarHBondContact CB-O 3.17Å; T419-N427 PolarHBondContact N-O 3.13Å; T419-N427 PolarHBondContact O-N 3.05Å
428	G	84.5	Confident	74.1	Confident	39 Å²	39	72.1 Å²	72.1	40%	0.402	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.2	-165.7	-176.8	0	0	0	0	0	111.5
429	T	80.1	Confident	73	Confident	76 Å²	76	72.2 Å²	72.2	47%	0.466	38%	0.383	S	S	.	.			trans	-142.1	129.5	174.7	53.3	0	0	0	0	110	L417	L417-T429 PolarHBondContact O-N 3.1Å
430	L	77.3	Confident	71.9	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	41%	0.406	C	S	.	.	S	Bend	trans	-85.7	-18.4	-177.2	-52.9	-174.4	0	0	0	113.4	V160 E163 Y164 R281 I401 L417 A418 L426	V160-L430 HydrophobicContact CB-CD1 4.15Å; V160-L430 HydrophobicContact CG1-CD1 3.98Å; V160-L430 HydrophobicContact CG2-CD1 3.89Å; E163-L430 HydrophobicContact CB-CD1 3.95Å; E163-L430 HydrophobicContact CB-CG 4.41Å; E163-L430 HydrophobicContact CG-CD1 4.31Å; Y164-L430 HydrophobicContact CD1-CB 4.27Å; Y164-L430 HydrophobicContact CE1-CB 3.64Å; Y164-L430 WeakPolarHBondContact CE1-O 3.43Å; Y164-L430 HydrophobicContact CE2-CB 4.48Å; Y164-L430 HydrophobicContact CE2-CD1 4.26Å; R281-L430 PolarHBondContact NH2-O 3.1Å; I401-L430 HydrophobicContact CB-CD2 4.19Å; I401-L430 HydrophobicContact CD1-CD2 4.31Å; I401-L430 HydrophobicContact CG2-CD2 3.64Å; L417-L430 HydrophobicContact CB-CD2 3.82Å; L417-L430 HydrophobicContact CD1-CD2 4.31Å; A418-L430 HydrophobicContact CB-CD2 3.76Å; L426-L430 HydrophobicContact CD2-CG 4.39Å
431	T	64.2	Low	70.9	Confident	68 Å²	68	81.7 Å²	81.7	42%	0.417	44%	0.436	S	S	.	.	S	Bend	trans	-83.8	123.8	173.9	45.5	0	0	0	0	110.5	R433	T431-R433 PolarHBondContact O-N 3.32Å; T431-R433 VanDerWaalsContact O-N 3.1Å
432	D	53.7	Low	70.4	Confident	73 Å²	73	82.5 Å²	82.5	39%	0.39	44%	0.442	S	S	.	.			trans	-85.3	87.8	-178.5	-167.1	-5.4	0	0	0	111.3	K434 L435	D432-K434 PolarHBondContact O-N 3.28Å; D432-K434 VanDerWaalsContact OD1-CB 3.27Å; D432-K434 WeakPolarHBondContact OD1-CB 3.37Å; D432-K434 WeakPolarHBondContact OD1-CG 3.4Å; D432-K434 PolarHBondContact OD1-N 2.89Å; D432-L435 PolarHBondContact O-N 3.46Å
433	R	44.2	Very low	70.5	Confident	186 Å²	186	83.6 Å²	83.6	70%	0.702	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-56.9	-10	175.1	-76.1	-178.9	167	164.5	-1.6	114.5	T431 L435	T431-R433 PolarHBondContact O-N 3.32Å; T431-R433 VanDerWaalsContact O-N 3.1Å; R433-L435 VanDerWaalsContact C-N 3.35Å
434	K	46.9	Very low	70.7	Confident	155 Å²	155	77.9 Å²	77.9	67%	0.674	41%	0.413	S	S	*	.	G	3₁₀ helix	trans	-70.4	-29.6	177.1	-66.6	-178.8	175.1	178.9	0	113	D432 E436 N438	D432-K434 PolarHBondContact O-N 3.28Å; D432-K434 VanDerWaalsContact OD1-CB 3.27Å; D432-K434 WeakPolarHBondContact OD1-CB 3.37Å; D432-K434 WeakPolarHBondContact OD1-CG 3.4Å; D432-K434 PolarHBondContact OD1-N 2.89Å; K434-E436 PolarHBondContact O-N 3.38Å; K434-E436 VanDerWaalsContact O-N 3.11Å; K434-N438 VanDerWaalsContact O-CG 3.23Å; K434-N438 PolarHBondContact O-ND2 2.83Å; K434-N438 PolarHBondContact O-OD1 3.4Å
435	L	48	Very low	71	Confident	78 Å²	78	75.9 Å²	75.9	41%	0.408	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-67.1	-15.2	-177.8	-154.6	70.3	0	0	0	113.1	D432 R433 N437 I784	D432-L435 PolarHBondContact O-N 3.46Å; R433-L435 VanDerWaalsContact C-N 3.35Å; L435-N437 PolarHBondContact O-N 3.07Å; L435-I784 HydrophobicContact CD1-CD1 4.29Å
436	E	46.5	Very low	71.3	Confident	102 Å²	102	74.8 Å²	74.8	48%	0.477	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-70.7	-7.8	-177	-61.9	-169.4	103.9	0	0	115.1	K434	K434-E436 PolarHBondContact O-N 3.38Å; K434-E436 VanDerWaalsContact O-N 3.11Å
437	N	49.1	Very low	71.6	Confident	73 Å²	73	73.2 Å²	73.2	39%	0.39	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-144.6	16.6	-176.9	-83.5	-78.5	0	0	0	115.8	L435 M439 R440	L435-N437 PolarHBondContact O-N 3.07Å; N437-M439 PolarHBondContact O-N 2.85Å; N437-R440 WeakPolarHBondContact O-CG 3.45Å; N437-R440 PolarHBondContact OD1-NE 3.01Å; N437-R440 PolarHBondContact OD1-NH2 3.02Å
438	N	59	Low	71.8	Confident	103 Å²	103	68 Å²	68	55%	0.551	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-2.6	-161.8	-89.4	-3.1	0	0	0	117.9	K434	K434-N438 VanDerWaalsContact O-CG 3.23Å; K434-N438 PolarHBondContact O-ND2 2.83Å; K434-N438 PolarHBondContact O-OD1 3.4Å
439	M	66.9	Low	72.2	Confident	5 Å²	5	66.5 Å²	66.5	3%	0.025	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.4	12.1	177.2	-64	-167	-66.8	0	0	114.8	N437 G441 V442 L483 F485 Y781 I784 F785	N437-M439 PolarHBondContact O-N 2.85Å; M439-G441 PolarHBondContact O-N 2.85Å; M439-V442 HydrophobicContact CB-CB 4.26Å; M439-V442 HydrophobicContact CB-CG2 4.07Å; M439-V442 HydrophobicContact CG-CG2 4.36Å; M439-V442 WeakPolarHBondContact O-CB 3.45Å; M439-V442 PolarHBondContact O-N 3.46Å; M439-L483 HydrophobicContact CE-CB 3.52Å; M439-L483 HydrophobicContact CE-CD1 3.58Å; M439-L483 HydrophobicContact CE-CD2 4.37Å; M439-L483 HydrophobicContact CE-CG 4.01Å; M439-F485 HydrophobicContact CB-CB 3.9Å; M439-F485 HydrophobicContact CE-CB 4.43Å; M439-F485 HydrophobicContact CE-CD1 3.6Å; M439-F485 HydrophobicContact CE-CE1 4.18Å; M439-F485 HydrophobicContact CE-CG 4.32Å; M439-F485 WeakPolarHBondContact O-CA 3.22Å; M439-Y781 HydrophobicContact CG-CD1 4.22Å; M439-Y781 HydrophobicContact CG-CE1 4.15Å; M439-Y781 HydrophobicContact SD-CD1 3.34Å; M439-Y781 WeakPolarHBondContact SD-CD1 3.46Å; M439-Y781 HydrophobicContact SD-CE1 3.7Å; M439-Y781 HydrophobicContact SD-CG 4.07Å; M439-I784 HydrophobicContact CE-CG2 4.29Å; M439-F785 HydrophobicContact CE-CD2 4.22Å; M439-F785 HydrophobicContact CE-CE2 3.69Å; M439-F785 HydrophobicContact SD-CE2 4.22Å
440	R	70.7	Confident	72.7	Confident	185 Å²	185	66.5 Å²	66.5	70%	0.698	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	97.6	176.4	-71.3	-179.4	-179.4	-136.4	1.9	111.9	N437 G484	N437-R440 WeakPolarHBondContact O-CG 3.45Å; N437-R440 PolarHBondContact OD1-NE 3.01Å; N437-R440 PolarHBondContact OD1-NH2 3.02Å; R440-G484 WeakPolarHBondContact CA-O 3.3Å
441	G	72.1	Confident	73.4	Confident	69 Å²	69	67.2 Å²	67.2	71%	0.711	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.5	-11.1	-178.7	0	0	0	0	0	114.5	M439	M439-G441 PolarHBondContact O-N 2.85Å
442	V	81.8	Confident	74.7	Confident	35 Å²	35	67.5 Å²	67.5	21%	0.212	33%	0.332	C	S	.	.			trans	-69.6	139	171	-178.1	0	0	0	0	109.5	M439 L444 K486	M439-V442 HydrophobicContact CB-CB 4.26Å; M439-V442 HydrophobicContact CB-CG2 4.07Å; M439-V442 HydrophobicContact CG-CG2 4.36Å; M439-V442 WeakPolarHBondContact O-CB 3.45Å; M439-V442 PolarHBondContact O-N 3.46Å; V442-L444 HydrophobicContact CG1-CD2 3.65Å; V442-L444 HydrophobicContact CG1-CG 4.02Å; V442-K486 PolarHBondContact O-N 2.9Å
443	V	89.3	Confident	76.6	Confident	76 Å²	76	64 Å²	64	46%	0.461	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	115.6	171.1	-171.9	0	0	0	0	108.3	K486 E488	V443-K486 CarbonylContact C-O 3.55Å; V443-K486 VanDerWaalsContact CA-O 3.29Å; V443-K486 WeakPolarHBondContact CA-O 3.29Å; V443-K486 HydrophobicContact CG2-CB 4.31Å; V443-E488 HydrophobicContact CG1-CG 4.19Å
444	L	91.9	Very high	78.9	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.021	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	130.4	-178.6	-60.8	177.2	0	0	0	111.2	V442 V446 F485 K486 Y487 E488 D519 V520 Y781 F785	V442-L444 HydrophobicContact CG1-CD2 3.65Å; V442-L444 HydrophobicContact CG1-CG 4.02Å; L444-V446 PolarHBondContact O-N 3.5Å; L444-F485 HydrophobicContact CD1-CD2 3.75Å; L444-F485 HydrophobicContact CD1-CE2 4.01Å; L444-F485 HydrophobicContact CD1-CG 4.19Å; L444-F485 HydrophobicContact CG-CD2 4.27Å; L444-K486 PolarHBondContact N-O 3.34Å; L444-Y487 CarbonylContact O-C 3.44Å; L444-Y487 WeakPolarHBondContact O-CA 3.25Å; L444-Y487 WeakPolarHBondContact O-CB 3.3Å; L444-E488 PolarHBondContact O-N 3.41Å; L444-D519 HydrophobicContact CD2-CB 4.34Å; L444-V520 HydrophobicContact CB-CG2 4.46Å; L444-V520 HydrophobicContact CD1-CG2 4.05Å; L444-Y781 HydrophobicContact CD2-CD2 4.1Å; L444-Y781 HydrophobicContact CD2-CE2 3.81Å; L444-F785 HydrophobicContact CD1-CE2 4.1Å; L444-F785 HydrophobicContact CD1-CZ 3.78Å
445	R	93.8	Very high	81.2	Confident	99 Å²	99	47.8 Å²	47.8	37%	0.374	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	113.8	172.6	-57.9	167.5	-64.9	159	8.3	108.6	Y490 K516 R517 D519 V520	R445-Y490 HydrophobicContact CB-CE1 4.45Å; R445-K516 PolarHBondContact NH2-O 3.5Å; R445-R517 PolarHBondContact NH1-O 2.91Å; R445-D519 VanDerWaalsContact CB-OD2 3.25Å; R445-D519 WeakPolarHBondContact CB-OD2 3.44Å; R445-D519 WeakPolarHBondContact CG-OD2 3.32Å; R445-D519 IonicContact CZ-OD1 2.71Å; R445-D519 IonicContact CZ-OD2 3.75Å; R445-D519 PolarHBondContact N-OD2 2.87Å; R445-D519 IonicContact NE-OD1 2.88Å; R445-D519 IonicContact NE-OD2 3.3Å; R445-D519 PolarHBondContact NE-OD2 2.84Å; R445-D519 IonicContact NH2-OD1 3.52Å; R445-D519 PolarHBondContact NH2-OD1 3.49Å; R445-D519 IonicContact NH2-OD2 3.65Å; R445-D519 PolarHBondContact O-N 2.98Å; R445-V520 PolarHBondContact O-N 2.85Å
446	V	96.2	Very high	83.2	Confident	1 Å²	1	45.2 Å²	45.2	1%	0.006	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	114.8	-175.9	179.3	0	0	0	0	109.4	L444 L476 Y487 E488 I489 Y490 V520 L522	L444-V446 PolarHBondContact O-N 3.5Å; V446-L476 HydrophobicContact CG1-CD2 4.34Å; V446-L476 HydrophobicContact CG2-CD2 4.16Å; V446-Y487 HydrophobicContact CG2-CG 4.46Å; V446-E488 PolarHBondContact N-O 2.95Å; V446-I489 HydrophobicContact CB-CG1 4.21Å; V446-I489 HydrophobicContact CG1-CG1 4.41Å; V446-I489 WeakPolarHBondContact O-CA 3.4Å; V446-Y490 PolarHBondContact O-N 3.28Å; V446-V520 CarbonylContact C-O 3.53Å; V446-V520 VanDerWaalsContact CA-O 3.31Å; V446-V520 WeakPolarHBondContact CA-O 3.38Å; V446-V520 HydrophobicContact CG2-CB 4.28Å; V446-L522 HydrophobicContact CG1-CB 3.75Å; V446-L522 HydrophobicContact CG1-CD2 4.15Å
447	V	96.3	Very high	85.2	Confident	0 Å²	0	42.8 Å²	42.8	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	137.5	170.5	56.8	0	0	0	0	110.3	Y490 A492 L509 E512 L513 A518 V520 G521 L522	V447-Y490 CarbonylContact C-O 3.54Å; V447-Y490 WeakPolarHBondContact CA-O 3.36Å; V447-Y490 HydrophobicContact CB-CE1 4.17Å; V447-Y490 HydrophobicContact CB-CE2 4.39Å; V447-Y490 HydrophobicContact CG2-CE2 4.26Å; V447-A492 HydrophobicContact CG2-CB 4.05Å; V447-L509 HydrophobicContact CG1-CD2 4.44Å; V447-L509 HydrophobicContact CG1-CG 3.88Å; V447-L509 HydrophobicContact CG2-CB 4.31Å; V447-L509 HydrophobicContact CG2-CG 4.17Å; V447-E512 HydrophobicContact CB-CB 4.37Å; V447-E512 HydrophobicContact CG1-CB 4.24Å; V447-E512 HydrophobicContact CG2-CB 4.07Å; V447-E512 HydrophobicContact CG2-CG 4.17Å; V447-L513 HydrophobicContact CG1-CD2 4.45Å; V447-L513 HydrophobicContact CG1-CG 4.35Å; V447-A518 HydrophobicContact CB-CB 3.63Å; V447-A518 HydrophobicContact CG1-CB 3.32Å; V447-V520 WeakPolarHBondContact CG1-O 3.31Å; V447-V520 PolarHBondContact N-O 3Å; V447-G521 WeakPolarHBondContact O-CA 3.35Å; V447-L522 PolarHBondContact O-N 3.06Å
448	T	95	Very high	86.5	Confident	0 Å²	0	40.2 Å²	40.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	159.6	179.3	-169.9	0	0	0	0	113.1	V455 I489 Y490 V491 A492 L522	T448-V455 HydrophobicContact CG2-CG1 4.14Å; T448-V455 WeakPolarHBondContact OG1-CG1 3.45Å; T448-V455 WeakPolarHBondContact OG1-CG2 3.38Å; T448-I489 HydrophobicContact CG2-CG2 3.58Å; T448-Y490 PolarHBondContact N-O 2.96Å; T448-V491 HydrophobicContact CG2-CG2 4Å; T448-V491 CarbonylContact O-C 3.42Å; T448-V491 VanDerWaalsContact O-CA 3.32Å; T448-V491 WeakPolarHBondContact O-CA 3.39Å; T448-A492 PolarHBondContact O-N 3.38Å; T448-L522 VanDerWaalsContact CA-O 3.31Å; T448-L522 WeakPolarHBondContact CA-O 3.17Å; T448-L522 VanDerWaalsContact CB-O 3.25Å; T448-L522 WeakPolarHBondContact CB-O 3.34Å; T448-L522 PolarHBondContact OG1-O 2.77Å
449	V	93.1	Very high	86.9	Confident	8 Å²	8	44 Å²	44	5%	0.048	23%	0.228	C	C	.	.			trans	-112.8	144.7	161.9	176.5	0	0	0	0	107.7	A492 H495 K496 Y497 L509 S523	V449-A492 HydrophobicContact CG2-CB 4.31Å; V449-H495 WeakPolarHBondContact CG1-O 3.36Å; V449-K496 WeakPolarHBondContact CG2-O 3.43Å; V449-Y497 HydrophobicContact CB-CD1 4.26Å; V449-Y497 HydrophobicContact CB-CE1 4.06Å; V449-Y497 HydrophobicContact CG1-CD2 4.38Å; V449-Y497 HydrophobicContact CG1-CE1 4.25Å; V449-Y497 HydrophobicContact CG1-CE2 4.03Å; V449-Y497 HydrophobicContact CG2-CD1 4.2Å; V449-Y497 HydrophobicContact CG2-CE1 4.5Å; V449-Y497 HydrophobicContact CG2-CG 4.39Å; V449-L509 HydrophobicContact CG2-CB 4.08Å; V449-L509 HydrophobicContact CG2-CD1 4.15Å; V449-S523 PolarHBondContact O-OG 2.94Å
450	L	91.6	Very high	86.4	Confident	76 Å²	76	49 Å²	49	40%	0.398	26%	0.255	S	S	.	.			trans	-84.7	115.9	179.5	-60.4	179.1	0	0	0	109.6	V455 V457 Y468 V491	L450-V455 WeakPolarHBondContact CA-O 3.25Å; L450-V455 HydrophobicContact CD2-CG1 4.12Å; L450-V457 HydrophobicContact CD1-CG2 4.08Å; L450-V457 HydrophobicContact CD2-CG2 4.04Å; L450-Y468 HydrophobicContact CD2-CD1 4.26Å; L450-Y468 HydrophobicContact CD2-CE1 4.19Å; L450-V491 HydrophobicContact CD1-CG2 4.47Å; L450-V491 HydrophobicContact CD2-CG2 4.04Å; L450-V491 HydrophobicContact CG-CG1 4.18Å; L450-V491 HydrophobicContact CG-CG2 4.17Å
451	E	91.3	Very high	85.9	Confident	15 Å²	15	44.4 Å²	44.4	7%	0.07	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-149.1	130.8	177.7	-168.5	92	-123.1	0	0	108.1	F454 V455 Y497 S726 V746	E451-F454 PolarHBondContact O-N 2.93Å; E451-V455 PolarHBondContact N-O 3.2Å; E451-V455 VanDerWaalsContact N-O 3.09Å; E451-V455 PolarHBondContact O-N 2.82Å; E451-Y497 VanDerWaalsContact CB-OH 3.23Å; E451-Y497 WeakPolarHBondContact CB-OH 3.48Å; E451-Y497 WeakPolarHBondContact CG-OH 3.3Å; E451-Y497 WeakPolarHBondContact OE2-CE2 3.48Å; E451-Y497 PolarHBondContact OE2-OH 3.08Å; E451-S726 VanDerWaalsContact OE1-CB 3.28Å; E451-S726 WeakPolarHBondContact OE1-CB 3.35Å; E451-S726 PolarHBondContact OE1-OG 3.44Å; E451-V746 HydrophobicContact CG-CG2 3.96Å
452	E	91.4	Very high	85.1	Confident	75 Å²	75	49.7 Å²	49.7	35%	0.35	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	132.1	-174.7	-57.3	176.2	-154.7	0	0	109.5	M456 R727 Y749	E452-M456 HydrophobicContact CB-CG 4.32Å; E452-M456 HydrophobicContact CB-SD 3.92Å; E452-M456 HydrophobicContact CG-CG 3.9Å; E452-M456 HydrophobicContact CG-SD 3.78Å; E452-R727 IonicContact OE1-CZ 3.04Å; E452-R727 IonicContact OE1-NE 2.67Å; E452-R727 IonicContact OE1-NH2 3.5Å; E452-R727 PolarHBondContact OE1-NH2 3.43Å; E452-Y749 HydrophobicContact CB-CD1 4.49Å; E452-Y749 HydrophobicContact CB-CE1 4.12Å
453	P	92.4	Very high	84	Confident	0 Å²	0	52 Å²	52	0%	0	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	cis	-96.1	9.9	4.2	38.2	-35.6	0	0	0	114.8	M456 G470 F471 Y749 W805 W806	P453-M456 HydrophobicContact CB-CE 4.14Å; P453-G470 CarbonylContact O-C 3.58Å; P453-G470 WeakPolarHBondContact O-CA 3.36Å; P453-F471 PolarHBondContact O-N 2.93Å; P453-Y749 HydrophobicContact CB-CD1 4.08Å; P453-Y749 HydrophobicContact CB-CD2 3.71Å; P453-Y749 HydrophobicContact CB-CE1 3.96Å; P453-Y749 HydrophobicContact CB-CE2 3.57Å; P453-Y749 HydrophobicContact CB-CG 3.96Å; P453-Y749 HydrophobicContact CG-CD1 4.19Å; P453-Y749 HydrophobicContact CG-CD2 3.69Å; P453-Y749 HydrophobicContact CG-CE2 4.1Å; P453-Y749 HydrophobicContact CG-CG 3.73Å; P453-W805 HydrophobicContact CB-CB 4.49Å; P453-W805 HydrophobicContact CB-CE3 4.06Å; P453-W805 HydrophobicContact CG-CB 4.48Å; P453-W806 HydrophobicContact CG-CH2 3.52Å; P453-W806 HydrophobicContact CG-CZ2 3.34Å; P453-W806 HydrophobicContact CG-CZ3 4.22Å
454	F	93.9	Very high	82.6	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-48.3	-171.8	-69.8	-89.9	0	0	0	113.1	E451 G470 F471 S472 A524 M542 A745 V746 Y771 W806	E451-F454 PolarHBondContact O-N 2.93Å; F454-G470 CarbonylContact O-C 3.57Å; F454-G470 VanDerWaalsContact O-C 3.27Å; F454-G470 WeakPolarHBondContact O-CA 3.35Å; F454-F471 AromaticContact CD1-CD1 4Å; F454-F471 HydrophobicContact CD1-CD1 4Å; F454-F471 AromaticContact CE1-CD1 3.93Å; F454-F471 HydrophobicContact CE1-CD1 3.93Å; F454-F471 PolarHBondContact O-N 2.86Å; F454-S472 WeakPolarHBondContact O-CB 3.43Å; F454-S472 PolarHBondContact O-N 2.91Å; F454-A524 HydrophobicContact CB-CB 4.26Å; F454-A524 HydrophobicContact CD1-CB 4.17Å; F454-A524 HydrophobicContact CD2-CB 3.68Å; F454-A524 HydrophobicContact CE1-CB 4.42Å; F454-A524 HydrophobicContact CE2-CB 3.97Å; F454-A524 HydrophobicContact CG-CB 3.77Å; F454-A524 HydrophobicContact CZ-CB 4.33Å; F454-M542 HydrophobicContact CE1-SD 4.01Å; F454-M542 HydrophobicContact CZ-CE 4.47Å; F454-M542 HydrophobicContact CZ-SD 4.22Å; F454-A745 HydrophobicContact CE2-CB 4.32Å; F454-A745 HydrophobicContact CZ-CB 4.07Å; F454-V746 HydrophobicContact CD2-CG2 4.19Å; F454-V746 HydrophobicContact CE2-CG2 3.87Å; F454-Y771 HydrophobicContact CE1-CD2 4.34Å; F454-Y771 HydrophobicContact CE1-CE2 4.26Å; F454-Y771 HydrophobicContact CZ-CE1 4.41Å; F454-Y771 HydrophobicContact CZ-CE2 4.05Å; F454-Y771 AromaticContact CZ-CZ 3.99Å; F454-W806 HydrophobicContact CE1-CH2 4.1Å; F454-W806 HydrophobicContact CE2-CH2 4.11Å; F454-W806 HydrophobicContact CE2-CZ2 4.14Å; F454-W806 AromaticContact CZ-CH2 3.84Å; F454-W806 HydrophobicContact CZ-CH2 3.84Å; F454-W806 HydrophobicContact CZ-CZ2 4.15Å
455	V	94.3	Very high	81.4	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	34%	0.336	C	S	.	.	B	Isolated β-bridge	trans	-145.6	117.9	176.5	-176.1	0	0	0	0	111.1	T448 L450 E451 Y468 I473	T448-V455 HydrophobicContact CG2-CG1 4.14Å; T448-V455 WeakPolarHBondContact OG1-CG1 3.45Å; T448-V455 WeakPolarHBondContact OG1-CG2 3.38Å; L450-V455 WeakPolarHBondContact CA-O 3.25Å; L450-V455 HydrophobicContact CD2-CG1 4.12Å; E451-V455 PolarHBondContact N-O 3.2Å; E451-V455 VanDerWaalsContact N-O 3.09Å; E451-V455 PolarHBondContact O-N 2.82Å; V455-Y468 HydrophobicContact CG1-CD1 4.31Å; V455-I473 HydrophobicContact CB-CD1 4.4Å; V455-I473 HydrophobicContact CB-CG1 4.47Å; V455-I473 HydrophobicContact CG1-CD1 3.87Å; V455-I473 HydrophobicContact CG1-CG1 4.13Å; V455-I473 HydrophobicContact CG2-CD1 3.81Å; V455-I473 HydrophobicContact CG2-CG1 4.11Å
456	M	90.8	Very high	80.3	Confident	23 Å²	23	63 Å²	63	11%	0.113	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	157.8	-174.3	-50.5	-170	-87.1	0	0	110.7	E452 P453 Y468 Q469 W805	E452-M456 HydrophobicContact CB-CG 4.32Å; E452-M456 HydrophobicContact CB-SD 3.92Å; E452-M456 HydrophobicContact CG-CG 3.9Å; E452-M456 HydrophobicContact CG-SD 3.78Å; P453-M456 HydrophobicContact CB-CE 4.14Å; M456-Y468 CarbonylContact O-C 3.58Å; M456-Y468 VanDerWaalsContact O-CA 3.23Å; M456-Y468 WeakPolarHBondContact O-CA 3.3Å; M456-Q469 WeakPolarHBondContact CA-O 3.36Å; M456-Q469 HydrophobicContact CB-CG 4.2Å; M456-Q469 WeakPolarHBondContact CB-O 3.43Å; M456-Q469 PolarHBondContact N-O 3Å; M456-Q469 PolarHBondContact O-N 2.86Å; M456-W805 HydrophobicContact CE-CE3 3.94Å; M456-W805 HydrophobicContact CE-CH2 3.86Å; M456-W805 HydrophobicContact CE-CZ3 3.28Å
457	V	87.4	Confident	79.6	Confident	51 Å²	51	70.1 Å²	70.1	31%	0.309	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	117.9	175.1	180	0	0	0	0	109	L450 Y468	L450-V457 HydrophobicContact CD1-CG2 4.08Å; L450-V457 HydrophobicContact CD2-CG2 4.04Å; V457-Y468 HydrophobicContact CG2-CD1 4.16Å; V457-Y468 HydrophobicContact CG2-CE1 4.02Å
458	S	77.1	Confident	79.3	Confident	19 Å²	19	71.6 Å²	71.6	13%	0.133	38%	0.382	C	S	.	.	P	Polyproline II helix	trans	-72.5	158.3	170.6	68.6	0	0	0	0	111	N460 K467	S458-N460 PolarHBondContact O-N 3.31Å; S458-K467 WeakPolarHBondContact CB-O 3.45Å; S458-K467 PolarHBondContact N-O 2.88Å; S458-K467 WeakPolarHBondContact OG-CB 3.21Å; S458-K467 PolarHBondContact OG-O 3.36Å
459	E	66.8	Low	79.2	Confident	184 Å²	184	75.8 Å²	75.8	86%	0.86	40%	0.402	S	S	*	.	P	Polyproline II helix	trans	-49.4	126.1	-165.5	-64.2	-169.8	138.9	0	0	114.4	V461	E459-V461 PolarHBondContact O-N 3.44Å
460	N	56.5	Low	79.2	Confident	110 Å²	110	75.4 Å²	75.4	59%	0.588	40%	0.399	S	S	*	.			trans	-74.4	81.7	-174.1	-70.4	-75.6	0	0	0	111.8	S458 L462	S458-N460 PolarHBondContact O-N 3.31Å; N460-L462 PolarHBondContact O-N 3.38Å
461	V	61.8	Low	79.4	Confident	88 Å²	88	71.9 Å²	71.9	53%	0.533	38%	0.381	S	S	.	.			trans	-63.9	107.3	166.4	-178.4	0	0	0	0	108.8	E459 G463 K464	E459-V461 PolarHBondContact O-N 3.44Å; V461-G463 PolarHBondContact O-N 3.47Å; V461-K464 HydrophobicContact CB-CD 4.23Å; V461-K464 HydrophobicContact CG1-CD 4.11Å; V461-K464 HydrophobicContact CG1-CG 4.43Å; V461-K464 PolarHBondContact O-N 2.9Å
462	L	55.1	Low	79.6	Confident	180 Å²	180	71.1 Å²	71.1	94%	0.942	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	122.6	-173.5	-165.7	73	0	0	0	111.6	N460	N460-L462 PolarHBondContact O-N 3.38Å
463	G	57.8	Low	79.7	Confident	84 Å²	84	67.8 Å²	67.8	87%	0.866	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	94	-1.1	-179	0	0	0	0	0	115.9	V461	V461-G463 PolarHBondContact O-N 3.47Å
464	K	60.2	Low	79.9	Confident	154 Å²	154	69.1 Å²	69.1	67%	0.67	37%	0.369	S	S	*	.	S	Bend	trans	-98.7	154.6	167.2	-69.1	-174.7	-179.5	177.8	0	111.3	V461	V461-K464 HydrophobicContact CB-CD 4.23Å; V461-K464 HydrophobicContact CG1-CD 4.11Å; V461-K464 HydrophobicContact CG1-CG 4.43Å; V461-K464 PolarHBondContact O-N 2.9Å
465	P	67.4	Low	79.9	Confident	121 Å²	121	69.1 Å²	69.1	79%	0.786	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-60	144.6	169.6	26.8	-34.9	0	0	0	110.5	K467	P465-K467 PolarHBondContact O-N 3.09Å; P465-K467 VanDerWaalsContact O-N 3.13Å
466	K	69.6	Low	80	Confident	134 Å²	134	69.2 Å²	69.2	58%	0.583	37%	0.369	S	S	*	.	P	Polyproline II helix	trans	-60	116.1	176.3	-68.2	-175.3	176.9	179.4	0	109.4
467	K	82.4	Confident	80.1	Confident	150 Å²	150	71.1 Å²	71.1	65%	0.652	38%	0.38	S	S	*	.	P	Polyproline II helix	trans	-90.9	129.4	171.7	179.3	-178	-178.8	-171.1	0	109.3	S458 P465	S458-K467 WeakPolarHBondContact CB-O 3.45Å; S458-K467 PolarHBondContact N-O 2.88Å; S458-K467 WeakPolarHBondContact OG-CB 3.21Å; S458-K467 PolarHBondContact OG-O 3.36Å; P465-K467 PolarHBondContact O-N 3.09Å; P465-K467 VanDerWaalsContact O-N 3.13Å
468	Y	90	Very high	80.4	Confident	32 Å²	32	69.6 Å²	69.6	13%	0.125	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	156.8	175	-54.5	-82.4	0	0	0	111.1	L450 V455 M456 V457 I489 V491	L450-Y468 HydrophobicContact CD2-CD1 4.26Å; L450-Y468 HydrophobicContact CD2-CE1 4.19Å; V455-Y468 HydrophobicContact CG1-CD1 4.31Å; M456-Y468 CarbonylContact O-C 3.58Å; M456-Y468 VanDerWaalsContact O-CA 3.23Å; M456-Y468 WeakPolarHBondContact O-CA 3.3Å; V457-Y468 HydrophobicContact CG2-CD1 4.16Å; V457-Y468 HydrophobicContact CG2-CE1 4.02Å; Y468-I489 HydrophobicContact CD2-CB 3.75Å; Y468-I489 HydrophobicContact CD2-CD1 4.16Å; Y468-I489 HydrophobicContact CD2-CG1 4.49Å; Y468-I489 HydrophobicContact CD2-CG2 3.67Å; Y468-I489 HydrophobicContact CE2-CB 3.8Å; Y468-I489 HydrophobicContact CE2-CG2 3.69Å; Y468-I489 HydrophobicContact CG-CG2 4.27Å; Y468-V491 HydrophobicContact CE1-CG2 3.95Å
469	Q	91.9	Very high	81.1	Confident	87 Å²	87	68.7 Å²	68.7	41%	0.407	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	153.5	175.3	67.3	-175.6	22.4	0	0	109.7	M456	M456-Q469 WeakPolarHBondContact CA-O 3.36Å; M456-Q469 HydrophobicContact CB-CG 4.2Å; M456-Q469 WeakPolarHBondContact CB-O 3.43Å; M456-Q469 PolarHBondContact N-O 3Å; M456-Q469 PolarHBondContact O-N 2.86Å
470	G	93.7	Very high	82.4	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.332	C	S	.	.	S	Bend	trans	146.2	173.2	179.6	0	0	0	0	0	112	P453 F454 S472 I473 D474	P453-G470 CarbonylContact O-C 3.58Å; P453-G470 WeakPolarHBondContact O-CA 3.36Å; F454-G470 CarbonylContact O-C 3.57Å; F454-G470 VanDerWaalsContact O-C 3.27Å; F454-G470 WeakPolarHBondContact O-CA 3.35Å; G470-S472 PolarHBondContact O-N 2.9Å; G470-I473 WeakPolarHBondContact O-CB 3.42Å; G470-I473 PolarHBondContact O-N 3.26Å; G470-I473 VanDerWaalsContact O-N 3.1Å; G470-D474 PolarHBondContact O-N 3.32Å
471	F	95.3	Very high	84	Confident	2 Å²	2	61.7 Å²	61.7	1%	0.009	34%	0.337	C	S	.	.	H	α-helix	trans	-59.5	-47.2	-176	177.7	-119.5	0	0	0	112.9	P453 F454 I473 D474 V475 Y541 M542 M798 L801 K802 W805 W806	P453-F471 PolarHBondContact O-N 2.93Å; F454-F471 AromaticContact CD1-CD1 4Å; F454-F471 HydrophobicContact CD1-CD1 4Å; F454-F471 AromaticContact CE1-CD1 3.93Å; F454-F471 HydrophobicContact CE1-CD1 3.93Å; F454-F471 PolarHBondContact O-N 2.86Å; F471-I473 PolarHBondContact O-N 3.41Å; F471-D474 PolarHBondContact O-N 2.94Å; F471-V475 HydrophobicContact CD2-CG2 4.43Å; F471-V475 HydrophobicContact CE2-CG2 4.12Å; F471-V475 HydrophobicContact CZ-CG2 4.22Å; F471-V475 WeakPolarHBondContact O-CG2 3.44Å; F471-V475 PolarHBondContact O-N 3Å; F471-V475 VanDerWaalsContact O-N 3.13Å; F471-Y541 HydrophobicContact CD1-CE2 4.09Å; F471-Y541 AromaticContact CE1-CD2 3.87Å; F471-Y541 HydrophobicContact CE1-CD2 3.87Å; F471-Y541 AromaticContact CE1-CE2 3.66Å; F471-Y541 HydrophobicContact CE1-CE2 3.66Å; F471-Y541 HydrophobicContact CZ-CD2 4.41Å; F471-M542 HydrophobicContact CD1-SD 3.99Å; F471-M542 HydrophobicContact CE1-CB 3.99Å; F471-M542 HydrophobicContact CE1-CG 4.32Å; F471-M542 HydrophobicContact CE1-SD 3.42Å; F471-M542 WeakPolarHBondContact CE1-SD 3.26Å; F471-M542 HydrophobicContact CZ-CB 4.46Å; F471-M542 HydrophobicContact CZ-SD 4.18Å; F471-M798 HydrophobicContact CE2-CE 4.49Å; F471-M798 HydrophobicContact CZ-CE 3.92Å; F471-L801 HydrophobicContact CD2-CB 4.27Å; F471-L801 HydrophobicContact CE2-CB 3.84Å; F471-K802 HydrophobicContact CE2-CB 4.27Å; F471-W805 HydrophobicContact CB-CG 4.06Å; F471-W805 AromaticContact CD2-CD1 3.88Å; F471-W806 HydrophobicContact CB-CH2 4.27Å; F471-W806 HydrophobicContact CB-CZ3 3.93Å; F471-W806 HydrophobicContact CD1-CH2 4.21Å; F471-W806 AromaticContact CD1-CZ3 3.93Å; F471-W806 HydrophobicContact CD1-CZ3 3.93Å; F471-W806 HydrophobicContact CD2-CZ3 4.3Å; F471-W806 HydrophobicContact CG-CH2 4.36Å; F471-W806 AromaticContact CG-CZ3 3.8Å; F471-W806 HydrophobicContact CG-CZ3 3.8Å
472	S	95.2	Very high	85.1	Confident	0 Å²	0	63.3 Å²	63.3	0%	0	33%	0.334	C	S	.	.	H	α-helix	trans	-64.7	-30.6	177	-60.4	0	0	0	0	112	F454 G470 L476 Y541	F454-S472 WeakPolarHBondContact O-CB 3.43Å; F454-S472 PolarHBondContact O-N 2.91Å; G470-S472 PolarHBondContact O-N 2.9Å; S472-L476 PolarHBondContact O-N 3.23Å; S472-Y541 PolarHBondContact OG-OH 3.01Å
473	I	95.1	Very high	86.6	Confident	5 Å²	5	54.9 Å²	54.9	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-70.4	-44.9	176.8	-54.8	-53	0	0	0	111.1	V455 G470 F471 V475 L476 D477 I489 L522	V455-I473 HydrophobicContact CB-CD1 4.4Å; V455-I473 HydrophobicContact CB-CG1 4.47Å; V455-I473 HydrophobicContact CG1-CD1 3.87Å; V455-I473 HydrophobicContact CG1-CG1 4.13Å; V455-I473 HydrophobicContact CG2-CD1 3.81Å; V455-I473 HydrophobicContact CG2-CG1 4.11Å; G470-I473 WeakPolarHBondContact O-CB 3.42Å; G470-I473 PolarHBondContact O-N 3.26Å; G470-I473 VanDerWaalsContact O-N 3.1Å; F471-I473 PolarHBondContact O-N 3.41Å; I473-V475 VanDerWaalsContact C-N 3.28Å; I473-V475 PolarHBondContact O-N 3.19Å; I473-L476 WeakPolarHBondContact O-CB 3.39Å; I473-L476 PolarHBondContact O-N 3.18Å; I473-L476 VanDerWaalsContact O-N 3.15Å; I473-D477 PolarHBondContact O-N 2.88Å; I473-I489 HydrophobicContact CD1-CD1 3.7Å; I473-L522 HydrophobicContact CD1-CD2 4.29Å
474	D	95.2	Very high	87.9	Confident	28 Å²	28	52.3 Å²	52.3	15%	0.15	26%	0.263	C	S	.	.	H	α-helix	trans	-61.5	-37	176	-70.3	-36.1	0	0	0	112	G470 F471 D477 A478 L801 K804 W805	G470-D474 PolarHBondContact O-N 3.32Å; F471-D474 PolarHBondContact O-N 2.94Å; D474-D477 PolarHBondContact O-N 3.25Å; D474-A478 WeakPolarHBondContact O-CB 3.47Å; D474-A478 PolarHBondContact O-N 3.39Å; D474-L801 HydrophobicContact CB-CD1 4.36Å; D474-L801 HydrophobicContact CB-CD2 3.95Å; D474-K804 IonicContact OD1-NZ 2.9Å; D474-K804 PolarHBondContact OD1-NZ 3.09Å; D474-K804 WeakPolarHBondContact OD2-CD 3.48Å; D474-K804 WeakPolarHBondContact OD2-CE 3.35Å; D474-K804 IonicContact OD2-NZ 3.91Å; D474-K804 PolarHBondContact OD2-NZ 3.4Å; D474-W805 PolarHBondContact OD2-NE1 2.92Å
475	V	95.2	Very high	89.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.232	C	C	.	.	H	α-helix	trans	-65.7	-40.5	174.9	174	0	0	0	0	111.1	F471 I473 A478 L479 M798 L801	F471-V475 HydrophobicContact CD2-CG2 4.43Å; F471-V475 HydrophobicContact CE2-CG2 4.12Å; F471-V475 HydrophobicContact CZ-CG2 4.22Å; F471-V475 WeakPolarHBondContact O-CG2 3.44Å; F471-V475 PolarHBondContact O-N 3Å; F471-V475 VanDerWaalsContact O-N 3.13Å; I473-V475 VanDerWaalsContact C-N 3.28Å; I473-V475 PolarHBondContact O-N 3.19Å; V475-A478 PolarHBondContact O-N 3.36Å; V475-L479 HydrophobicContact CG1-CD1 4.1Å; V475-L479 VanDerWaalsContact O-CG 3.27Å; V475-L479 WeakPolarHBondContact O-CG 3.14Å; V475-L479 PolarHBondContact O-N 3.16Å; V475-M798 HydrophobicContact CG1-CE 4.36Å; V475-M798 HydrophobicContact CG1-SD 4.43Å; V475-M798 HydrophobicContact CG2-CE 3.64Å; V475-M798 HydrophobicContact CG2-SD 4.03Å; V475-L801 HydrophobicContact CG2-CD1 3.97Å
476	L	95.1	Very high	90.5	Very high	1 Å²	1	46.3 Å²	46.3	1%	0.005	23%	0.225	C	C	.	.	H	α-helix	trans	-66.4	-42.3	173.9	-175.5	73.2	0	0	0	112.1	V446 S472 I473 L479 S480 F485 Y487 I489 L522	V446-L476 HydrophobicContact CG1-CD2 4.34Å; V446-L476 HydrophobicContact CG2-CD2 4.16Å; S472-L476 PolarHBondContact O-N 3.23Å; I473-L476 WeakPolarHBondContact O-CB 3.39Å; I473-L476 PolarHBondContact O-N 3.18Å; I473-L476 VanDerWaalsContact O-N 3.15Å; L476-L479 PolarHBondContact O-N 2.94Å; L476-S480 VanDerWaalsContact O-CB 3.23Å; L476-S480 WeakPolarHBondContact O-CB 3.24Å; L476-S480 PolarHBondContact O-N 3.12Å; L476-F485 HydrophobicContact CD1-CE2 4.06Å; L476-F485 HydrophobicContact CD1-CZ 3.98Å; L476-Y487 HydrophobicContact CD2-CD1 3.86Å; L476-Y487 HydrophobicContact CD2-CD2 3.62Å; L476-Y487 HydrophobicContact CD2-CE1 3.77Å; L476-Y487 HydrophobicContact CD2-CE2 3.55Å; L476-Y487 HydrophobicContact CD2-CG 3.77Å; L476-Y487 HydrophobicContact CG-CD1 3.97Å; L476-Y487 HydrophobicContact CG-CE1 3.81Å; L476-Y487 HydrophobicContact CG-CE2 4.47Å; L476-Y487 HydrophobicContact CG-CG 4.35Å; L476-I489 HydrophobicContact CD2-CD1 4.1Å; L476-I489 HydrophobicContact CD2-CG1 4.45Å; L476-L522 HydrophobicContact CB-CD2 3.68Å; L476-L522 HydrophobicContact CD1-CD2 4.26Å; L476-L522 HydrophobicContact CD2-CD2 3.71Å; L476-L522 HydrophobicContact CG-CD2 4.08Å
477	D	94.4	Very high	91.6	Very high	63 Å²	63	42.4 Å²	42.4	34%	0.337	21%	0.207	S	C	.	.	H	α-helix	trans	-61	-43	174.6	-100.2	-49.8	0	0	0	110.6	I473 D474 S480 N481 Y487	I473-D477 PolarHBondContact O-N 2.88Å; D474-D477 PolarHBondContact O-N 3.25Å; D477-S480 PolarHBondContact O-N 3.1Å; D477-N481 WeakPolarHBondContact O-CB 3.23Å; D477-N481 PolarHBondContact O-N 3.44Å; D477-N481 PolarHBondContact O-ND2 3.2Å; D477-Y487 PolarHBondContact OD1-OH 3.22Å; D477-Y487 PolarHBondContact OD2-OH 3.42Å
478	A	93.3	Very high	92.1	Very high	19 Å²	19	41.6 Å²	41.6	16%	0.157	21%	0.205	C	C	.	.	H	α-helix	trans	-58.6	-54.8	173.8	0	0	0	0	0	111	D474 V475 S480 N481 Y482 L792	D474-A478 WeakPolarHBondContact O-CB 3.47Å; D474-A478 PolarHBondContact O-N 3.39Å; V475-A478 PolarHBondContact O-N 3.36Å; A478-S480 VanDerWaalsContact C-N 3.28Å; A478-S480 PolarHBondContact O-N 3.36Å; A478-N481 PolarHBondContact O-N 3.21Å; A478-N481 VanDerWaalsContact O-N 3.13Å; A478-Y482 VanDerWaalsContact O-CD2 3.27Å; A478-Y482 WeakPolarHBondContact O-CD2 3.43Å; A478-Y482 PolarHBondContact O-N 2.88Å; A478-L792 HydrophobicContact CB-CD1 4.31Å
479	L	92.4	Very high	92.2	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-57.8	-39.2	178.3	-68.7	166.9	0	0	0	112.3	V475 L476 Y482 L483 F485 I773 F785 R788 I789 L792	V475-L479 HydrophobicContact CG1-CD1 4.1Å; V475-L479 VanDerWaalsContact O-CG 3.27Å; V475-L479 WeakPolarHBondContact O-CG 3.14Å; V475-L479 PolarHBondContact O-N 3.16Å; L476-L479 PolarHBondContact O-N 2.94Å; L479-Y482 PolarHBondContact O-N 3.28Å; L479-L483 VanDerWaalsContact O-CB 3.32Å; L479-L483 WeakPolarHBondContact O-CB 3.45Å; L479-L483 PolarHBondContact O-N 3.49Å; L479-F485 VanDerWaalsContact C-CE1 3.42Å; L479-F485 HydrophobicContact CB-CE1 4.1Å; L479-F485 HydrophobicContact CB-CZ 4.21Å; L479-F485 WeakPolarHBondContact O-CE1 3.4Å; L479-I773 HydrophobicContact CD1-CD1 3.78Å; L479-F785 HydrophobicContact CD1-CD1 3.85Å; L479-F785 HydrophobicContact CD1-CE1 4.2Å; L479-R788 HydrophobicContact CD2-CB 3.58Å; L479-I789 HydrophobicContact CD1-CG1 4.19Å; L479-I789 HydrophobicContact CD2-CG1 4.26Å; L479-L792 HydrophobicContact CD2-CD1 4.01Å; L479-L792 HydrophobicContact CG-CD1 4.31Å
480	S	93	Very high	92.3	Very high	19 Å²	19	40.7 Å²	40.7	13%	0.133	20%	0.2	C	C	.	.	H	α-helix	trans	-61.6	-45.9	175.5	179.1	0	0	0	0	111.9	L476 D477 A478 G484 F485	L476-S480 VanDerWaalsContact O-CB 3.23Å; L476-S480 WeakPolarHBondContact O-CB 3.24Å; L476-S480 PolarHBondContact O-N 3.12Å; D477-S480 PolarHBondContact O-N 3.1Å; A478-S480 VanDerWaalsContact C-N 3.28Å; A478-S480 PolarHBondContact O-N 3.36Å; S480-G484 VanDerWaalsContact O-CA 3.32Å; S480-G484 WeakPolarHBondContact O-CA 3.42Å; S480-G484 PolarHBondContact O-N 2.94Å; S480-F485 VanDerWaalsContact CA-CE1 3.44Å; S480-F485 PolarHBondContact OG-O 3Å
481	N	90.8	Very high	92.2	Very high	129 Å²	129	42.1 Å²	42.1	69%	0.69	21%	0.209	S	C	*	.	H	α-helix	trans	-67.7	-39.2	178	-75.9	-67.9	0	0	0	112.7	D477 A478	D477-N481 WeakPolarHBondContact O-CB 3.23Å; D477-N481 PolarHBondContact O-N 3.44Å; D477-N481 PolarHBondContact O-ND2 3.2Å; A478-N481 PolarHBondContact O-N 3.21Å; A478-N481 VanDerWaalsContact O-N 3.13Å
482	Y	85.1	Confident	92.1	Very high	121 Å²	121	42 Å²	42	48%	0.475	21%	0.209	S	C	.	.	H	α-helix	trans	-71.6	-39.9	178	-84	-77.2	0	0	0	113.5	A478 L479 L792	A478-Y482 VanDerWaalsContact O-CD2 3.27Å; A478-Y482 WeakPolarHBondContact O-CD2 3.43Å; A478-Y482 PolarHBondContact O-N 2.88Å; L479-Y482 PolarHBondContact O-N 3.28Å; Y482-L792 HydrophobicContact CD2-CD2 4.18Å; Y482-L792 HydrophobicContact CE2-CD2 3.68Å
483	L	85.9	Confident	91.9	Very high	4 Å²	4	46.7 Å²	46.7	2%	0.021	24%	0.239	C	C	.	.	H	α-helix	trans	-99.7	-13	-173.1	-66.3	165.1	0	0	0	114	M439 L479 F485 I784 F785 R788	M439-L483 HydrophobicContact CE-CB 3.52Å; M439-L483 HydrophobicContact CE-CD1 3.58Å; M439-L483 HydrophobicContact CE-CD2 4.37Å; M439-L483 HydrophobicContact CE-CG 4.01Å; L479-L483 VanDerWaalsContact O-CB 3.32Å; L479-L483 WeakPolarHBondContact O-CB 3.45Å; L479-L483 PolarHBondContact O-N 3.49Å; L483-F485 HydrophobicContact CB-CD1 3.88Å; L483-F485 HydrophobicContact CB-CE1 4.24Å; L483-F485 HydrophobicContact CD1-CE1 4.32Å; L483-F485 PolarHBondContact O-N 3.35Å; L483-I784 HydrophobicContact CD1-CG2 4.03Å; L483-I784 HydrophobicContact CD2-CG2 3.55Å; L483-I784 HydrophobicContact CG-CG2 4.43Å; L483-F785 HydrophobicContact CD1-CD2 4.34Å; L483-R788 HydrophobicContact CD1-CB 4.41Å; L483-R788 HydrophobicContact CD1-CG 3.86Å; L483-R788 HydrophobicContact CD2-CG 3.71Å; L483-R788 HydrophobicContact CG-CG 3.9Å
484	G	84.4	Confident	91.6	Very high	29 Å²	29	49.7 Å²	49.7	30%	0.299	26%	0.255	S	S	.	.			trans	78.2	11.4	174.1	0	0	0	0	0	116	R440 S480	R440-G484 WeakPolarHBondContact CA-O 3.3Å; S480-G484 VanDerWaalsContact O-CA 3.32Å; S480-G484 WeakPolarHBondContact O-CA 3.42Å; S480-G484 PolarHBondContact O-N 2.94Å
485	F	89.9	Confident	91.3	Very high	3 Å²	3	54.2 Å²	54.2	1%	0.013	28%	0.275	C	S	.	.			trans	-77.3	160.4	173.7	69.5	-88.6	0	0	0	112	M439 L444 L476 L479 S480 L483 Y487 F785	M439-F485 HydrophobicContact CB-CB 3.9Å; M439-F485 HydrophobicContact CE-CB 4.43Å; M439-F485 HydrophobicContact CE-CD1 3.6Å; M439-F485 HydrophobicContact CE-CE1 4.18Å; M439-F485 HydrophobicContact CE-CG 4.32Å; M439-F485 WeakPolarHBondContact O-CA 3.22Å; L444-F485 HydrophobicContact CD1-CD2 3.75Å; L444-F485 HydrophobicContact CD1-CE2 4.01Å; L444-F485 HydrophobicContact CD1-CG 4.19Å; L444-F485 HydrophobicContact CG-CD2 4.27Å; L476-F485 HydrophobicContact CD1-CE2 4.06Å; L476-F485 HydrophobicContact CD1-CZ 3.98Å; L479-F485 VanDerWaalsContact C-CE1 3.42Å; L479-F485 HydrophobicContact CB-CE1 4.1Å; L479-F485 HydrophobicContact CB-CZ 4.21Å; L479-F485 WeakPolarHBondContact O-CE1 3.4Å; S480-F485 VanDerWaalsContact CA-CE1 3.44Å; S480-F485 PolarHBondContact OG-O 3Å; L483-F485 HydrophobicContact CB-CD1 3.88Å; L483-F485 HydrophobicContact CB-CE1 4.24Å; L483-F485 HydrophobicContact CD1-CE1 4.32Å; L483-F485 PolarHBondContact O-N 3.35Å; F485-Y487 HydrophobicContact CD2-CD1 4.27Å; F485-Y487 AromaticContact CE2-CD1 3.79Å; F485-Y487 HydrophobicContact CE2-CD1 3.79Å; F485-Y487 HydrophobicContact CE2-CG 4.44Å; F485-F785 HydrophobicContact CD1-CZ 4.38Å; F485-F785 HydrophobicContact CE1-CE1 4.24Å; F485-F785 HydrophobicContact CE1-CE2 4.16Å; F485-F785 AromaticContact CE1-CZ 3.63Å; F485-F785 HydrophobicContact CE1-CZ 3.63Å; F485-F785 HydrophobicContact CE2-CZ 4.13Å; F485-F785 AromaticContact CZ-CE1 3.92Å; F485-F785 HydrophobicContact CZ-CE1 3.92Å; F485-F785 HydrophobicContact CZ-CE2 4.45Å; F485-F785 AromaticContact CZ-CZ 3.51Å; F485-F785 HydrophobicContact CZ-CZ 3.51Å
486	K	91.8	Very high	91	Very high	146 Å²	146	58.2 Å²	58.2	64%	0.635	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.7	160.4	166	-65.5	-178.6	179.6	-179.7	0	109.8	V442 V443 L444	V442-K486 PolarHBondContact O-N 2.9Å; V443-K486 CarbonylContact C-O 3.55Å; V443-K486 VanDerWaalsContact CA-O 3.29Å; V443-K486 WeakPolarHBondContact CA-O 3.29Å; V443-K486 HydrophobicContact CG2-CB 4.31Å; L444-K486 PolarHBondContact N-O 3.34Å
487	Y	93.3	Very high	90.8	Very high	52 Å²	52	59.9 Å²	59.9	20%	0.204	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.6	178.1	61.6	-99.2	0	0	0	112.3	L444 V446 L476 D477 F485 I489	L444-Y487 CarbonylContact O-C 3.44Å; L444-Y487 WeakPolarHBondContact O-CA 3.25Å; L444-Y487 WeakPolarHBondContact O-CB 3.3Å; V446-Y487 HydrophobicContact CG2-CG 4.46Å; L476-Y487 HydrophobicContact CD2-CD1 3.86Å; L476-Y487 HydrophobicContact CD2-CD2 3.62Å; L476-Y487 HydrophobicContact CD2-CE1 3.77Å; L476-Y487 HydrophobicContact CD2-CE2 3.55Å; L476-Y487 HydrophobicContact CD2-CG 3.77Å; L476-Y487 HydrophobicContact CG-CD1 3.97Å; L476-Y487 HydrophobicContact CG-CE1 3.81Å; L476-Y487 HydrophobicContact CG-CE2 4.47Å; L476-Y487 HydrophobicContact CG-CG 4.35Å; D477-Y487 PolarHBondContact OD1-OH 3.22Å; D477-Y487 PolarHBondContact OD2-OH 3.42Å; F485-Y487 HydrophobicContact CD2-CD1 4.27Å; F485-Y487 AromaticContact CE2-CD1 3.79Å; F485-Y487 HydrophobicContact CE2-CD1 3.79Å; F485-Y487 HydrophobicContact CE2-CG 4.44Å; Y487-I489 HydrophobicContact CD2-CD1 4.11Å; Y487-I489 HydrophobicContact CD2-CG1 3.65Å; Y487-I489 HydrophobicContact CE2-CD1 3.65Å; Y487-I489 HydrophobicContact CE2-CG1 3.7Å
488	E	93.1	Very high	90.5	Very high	133 Å²	133	57 Å²	57	62%	0.621	28%	0.283	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	122	172.2	-64.6	-172.8	170.6	0	0	109	V443 L444 V446	V443-E488 HydrophobicContact CG1-CG 4.19Å; L444-E488 PolarHBondContact O-N 3.41Å; V446-E488 PolarHBondContact N-O 2.95Å
489	I	92.9	Very high	90.2	Very high	34 Å²	34	56.9 Å²	56.9	17%	0.174	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	128.5	-176.8	-55	-176.5	0	0	0	110.9	V446 T448 Y468 I473 L476 Y487	V446-I489 HydrophobicContact CB-CG1 4.21Å; V446-I489 HydrophobicContact CG1-CG1 4.41Å; V446-I489 WeakPolarHBondContact O-CA 3.4Å; T448-I489 HydrophobicContact CG2-CG2 3.58Å; Y468-I489 HydrophobicContact CD2-CB 3.75Å; Y468-I489 HydrophobicContact CD2-CD1 4.16Å; Y468-I489 HydrophobicContact CD2-CG1 4.49Å; Y468-I489 HydrophobicContact CD2-CG2 3.67Å; Y468-I489 HydrophobicContact CE2-CB 3.8Å; Y468-I489 HydrophobicContact CE2-CG2 3.69Å; Y468-I489 HydrophobicContact CG-CG2 4.27Å; I473-I489 HydrophobicContact CD1-CD1 3.7Å; L476-I489 HydrophobicContact CD2-CD1 4.1Å; L476-I489 HydrophobicContact CD2-CG1 4.45Å; Y487-I489 HydrophobicContact CD2-CD1 4.11Å; Y487-I489 HydrophobicContact CD2-CG1 3.65Å; Y487-I489 HydrophobicContact CE2-CD1 3.65Å; Y487-I489 HydrophobicContact CE2-CG1 3.7Å
490	Y	93	Very high	89.8	Confident	66 Å²	66	62 Å²	62	26%	0.259	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	150.5	167.2	76.2	-83.5	0	0	0	112	R445 V446 V447 T448 E512 R517 A518	R445-Y490 HydrophobicContact CB-CE1 4.45Å; V446-Y490 PolarHBondContact O-N 3.28Å; V447-Y490 CarbonylContact C-O 3.54Å; V447-Y490 WeakPolarHBondContact CA-O 3.36Å; V447-Y490 HydrophobicContact CB-CE1 4.17Å; V447-Y490 HydrophobicContact CB-CE2 4.39Å; V447-Y490 HydrophobicContact CG2-CE2 4.26Å; T448-Y490 PolarHBondContact N-O 2.96Å; Y490-E512 WeakPolarHBondContact CE2-OE2 3.41Å; Y490-E512 PolarHBondContact OH-OE2 3.31Å; Y490-R517 PolarHBondContact OH-O 3.13Å; Y490-A518 HydrophobicContact CE1-CB 4.05Å; Y490-A518 PolarHBondContact OH-N 3.37Å
491	V	93	Very high	89.5	Confident	30 Å²	30	64.6 Å²	64.6	18%	0.182	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	140.3	179	-173.6	0	0	0	0	109.6	T448 L450 Y468 H495	T448-V491 HydrophobicContact CG2-CG2 4Å; T448-V491 CarbonylContact O-C 3.42Å; T448-V491 VanDerWaalsContact O-CA 3.32Å; T448-V491 WeakPolarHBondContact O-CA 3.39Å; L450-V491 HydrophobicContact CD1-CG2 4.47Å; L450-V491 HydrophobicContact CD2-CG2 4.04Å; L450-V491 HydrophobicContact CG-CG1 4.18Å; L450-V491 HydrophobicContact CG-CG2 4.17Å; Y468-V491 HydrophobicContact CE1-CG2 3.95Å; V491-H495 WeakPolarHBondContact CG1-ND1 3.38Å
492	A	92.9	Very high	89.1	Confident	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.33	C	S	.	.			trans	-52.5	131.1	174.3	0	0	0	0	0	111.2	V447 T448 V449 D494 H495	V447-A492 HydrophobicContact CG2-CB 4.05Å; T448-A492 PolarHBondContact O-N 3.38Å; V449-A492 HydrophobicContact CG2-CB 4.31Å; A492-D494 VanDerWaalsContact C-N 3.27Å; A492-D494 PolarHBondContact O-N 3.25Å; A492-H495 PolarHBondContact O-N 2.8Å; A492-H495 PolarHBondContact O-ND1 2.8Å
493	P	90.8	Very high	89	Confident	98 Å²	98	64.5 Å²	64.5	64%	0.636	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-23.3	-170.9	-26	35.2	0	0	0	116.2
494	D	88.4	Confident	88.9	Confident	68 Å²	68	66.5 Å²	66.5	36%	0.364	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	3.5	177.2	66.6	-7.8	0	0	0	112.9	A492 K496 N507 G508	A492-D494 VanDerWaalsContact C-N 3.27Å; A492-D494 PolarHBondContact O-N 3.25Å; D494-K496 PolarHBondContact O-N 2.94Å; D494-K496 PolarHBondContact OD1-N 3.39Å; D494-K496 VanDerWaalsContact OD1-N 3.13Å; D494-N507 PolarHBondContact OD2-ND2 3.06Å; D494-G508 VanDerWaalsContact OD1-CA 3.28Å; D494-G508 WeakPolarHBondContact OD1-CA 3.29Å; D494-G508 WeakPolarHBondContact OD2-CA 3.3Å; D494-G508 PolarHBondContact OD2-N 2.88Å
495	H	89.1	Confident	89.1	Confident	124 Å²	124	69.4 Å²	69.4	57%	0.574	37%	0.365	S	S	*	.			trans	55.7	13.2	-175.9	-59.1	-44.8	0	0	0	116.2	V449 V491 A492	V449-H495 WeakPolarHBondContact CG1-O 3.36Å; V491-H495 WeakPolarHBondContact CG1-ND1 3.38Å; A492-H495 PolarHBondContact O-N 2.8Å; A492-H495 PolarHBondContact O-ND1 2.8Å
496	K	89.2	Confident	89.1	Confident	84 Å²	84	70.5 Å²	70.5	37%	0.365	37%	0.368	S	S	.	.			trans	-96.7	150.6	179.4	-72.8	-171.8	171.7	-175	0	112.5	V449 D494 G498 G508 L509 D685	V449-K496 WeakPolarHBondContact CG2-O 3.43Å; D494-K496 PolarHBondContact O-N 2.94Å; D494-K496 PolarHBondContact OD1-N 3.39Å; D494-K496 VanDerWaalsContact OD1-N 3.13Å; K496-G498 VanDerWaalsContact C-N 3.29Å; K496-G508 CarbonylContact O-C 3.53Å; K496-G508 WeakPolarHBondContact O-CA 3.21Å; K496-L509 PolarHBondContact O-N 2.88Å; K496-D685 IonicContact NZ-OD2 3.4Å; K496-D685 PolarHBondContact NZ-OD2 2.94Å
497	Y	89.5	Confident	89.1	Confident	36 Å²	36	65 Å²	65	14%	0.141	35%	0.346	C	S	.	.			trans	-64.1	-36.4	169.8	-69.8	-83.6	0	0	0	112	V449 E451 L509 M510 A524 L525	V449-Y497 HydrophobicContact CB-CD1 4.26Å; V449-Y497 HydrophobicContact CB-CE1 4.06Å; V449-Y497 HydrophobicContact CG1-CD2 4.38Å; V449-Y497 HydrophobicContact CG1-CE1 4.25Å; V449-Y497 HydrophobicContact CG1-CE2 4.03Å; V449-Y497 HydrophobicContact CG2-CD1 4.2Å; V449-Y497 HydrophobicContact CG2-CE1 4.5Å; V449-Y497 HydrophobicContact CG2-CG 4.39Å; E451-Y497 VanDerWaalsContact CB-OH 3.23Å; E451-Y497 WeakPolarHBondContact CB-OH 3.48Å; E451-Y497 WeakPolarHBondContact CG-OH 3.3Å; E451-Y497 WeakPolarHBondContact OE2-CE2 3.48Å; E451-Y497 PolarHBondContact OE2-OH 3.08Å; Y497-L509 WeakPolarHBondContact O-CB 3.28Å; Y497-L509 PolarHBondContact O-N 2.82Å; Y497-M510 WeakPolarHBondContact O-CG 3.44Å; Y497-M510 PolarHBondContact O-N 3.25Å; Y497-M510 VanDerWaalsContact O-N 3.07Å; Y497-A524 HydrophobicContact CE1-CB 4.47Å; Y497-L525 HydrophobicContact CD1-CD1 4.1Å
498	G	88.7	Confident	89	Confident	1 Å²	1	62.8 Å²	62.8	1%	0.01	34%	0.339	C	S	.	.			trans	111.8	132.7	178.6	0	0	0	0	0	113.2	K496 N507 R531	K496-G498 VanDerWaalsContact C-N 3.29Å; G498-N507 WeakPolarHBondContact CA-O 3.33Å; G498-N507 WeakPolarHBondContact CA-OD1 3.23Å; G498-R531 PolarHBondContact O-NE 2.92Å; G498-R531 PolarHBondContact O-NH2 2.76Å
499	S	86.3	Confident	89.1	Confident	17 Å²	17	56.4 Å²	56.4	12%	0.119	31%	0.309	C	S	.	.			trans	-134.5	163.7	175.7	56.8	0	0	0	0	109.5	Q501 W506 N507	S499-Q501 PolarHBondContact O-N 2.96Å; S499-W506 VanDerWaalsContact C-CE3 3.46Å; S499-N507 PolarHBondContact N-OD1 2.93Å; S499-N507 PolarHBondContact O-OD1 3.23Å; S499-N507 VanDerWaalsContact O-OD1 3.11Å
500	L	85.4	Confident	89.1	Confident	109 Å²	109	54.8 Å²	54.8	57%	0.571	30%	0.301	S	S	*	.	B	Isolated β-bridge	trans	-78.3	118.5	175.1	-177.2	65.1	0	0	0	109.6	W506	L500-W506 HydrophobicContact CB-CH2 4.41Å; L500-W506 HydrophobicContact CB-CZ2 4.19Å
501	Q	85.6	Confident	89.1	Confident	72 Å²	72	51.8 Å²	51.8	34%	0.336	29%	0.289	S	S	.	.			trans	-81.3	163.4	179.3	-67.6	-64.3	-25	0	0	111.9	S499 D503 G504 Q505 N507	S499-Q501 PolarHBondContact O-N 2.96Å; Q501-D503 WeakPolarHBondContact CB-OD1 3.26Å; Q501-D503 PolarHBondContact O-N 2.81Å; Q501-G504 PolarHBondContact O-N 3.03Å; Q501-Q505 WeakPolarHBondContact CB-O 3.46Å; Q501-Q505 PolarHBondContact N-O 3.1Å; Q501-N507 HydrophobicContact CG-CB 4.41Å; Q501-N507 PolarHBondContact NE2-ND2 2.88Å
502	S	83.8	Confident	89.2	Confident	134 Å²	134	51.1 Å²	51.1	94%	0.937	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-10.5	-176.2	56.4	0	0	0	0	114.7
503	D	83	Confident	89.3	Confident	114 Å²	114	51.2 Å²	51.2	61%	0.61	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-1.2	170.1	65	-4.6	0	0	0	113.3	Q501 Q505	Q501-D503 WeakPolarHBondContact CB-OD1 3.26Å; Q501-D503 PolarHBondContact O-N 2.81Å; D503-Q505 WeakPolarHBondContact OD1-CB 3.34Å; D503-Q505 PolarHBondContact OD1-N 3.11Å
504	G	82.6	Confident	89.3	Confident	47 Å²	47	49.1 Å²	49.1	49%	0.485	27%	0.27	S	S	.	.	S	Bend	trans	81.6	7.7	-176.7	0	0	0	0	0	114.9	Q501	Q501-G504 PolarHBondContact O-N 3.03Å
505	Q	88.7	Confident	89.3	Confident	90 Å²	90	50 Å²	50	42%	0.421	27%	0.271	S	S	.	.			trans	-91.1	158.4	175.4	-58.7	-57	-53.1	0	0	112.1	Q501 D503	Q501-Q505 WeakPolarHBondContact CB-O 3.46Å; Q501-Q505 PolarHBondContact N-O 3.1Å; D503-Q505 WeakPolarHBondContact OD1-CB 3.34Å; D503-Q505 PolarHBondContact OD1-N 3.11Å
506	W	90.6	Very high	89.3	Confident	25 Å²	25	50.3 Å²	50.3	10%	0.095	27%	0.271	C	S	.	.	B	Isolated β-bridge	trans	-100.1	132.8	169.7	-74.1	86.8	0	0	0	110.3	S499 L500 M510 G511 E530 R531 V534	S499-W506 VanDerWaalsContact C-CE3 3.46Å; L500-W506 HydrophobicContact CB-CH2 4.41Å; L500-W506 HydrophobicContact CB-CZ2 4.19Å; W506-M510 HydrophobicContact CB-CB 4.45Å; W506-M510 HydrophobicContact CD2-CB 4.39Å; W506-M510 HydrophobicContact CE3-CB 3.75Å; W506-M510 HydrophobicContact CE3-CE 4.3Å; W506-M510 HydrophobicContact CE3-CG 4.04Å; W506-M510 HydrophobicContact CZ3-CB 4.41Å; W506-M510 HydrophobicContact CZ3-CE 4.3Å; W506-M510 HydrophobicContact CZ3-CG 4.2Å; W506-G511 VanDerWaalsContact O-CA 3.26Å; W506-G511 WeakPolarHBondContact O-CA 3.34Å; W506-E530 HydrophobicContact CH2-CB 4.25Å; W506-E530 WeakPolarHBondContact CZ2-O 3.47Å; W506-R531 HydrophobicContact CH2-CG 3.89Å; W506-R531 HydrophobicContact CZ3-CG 3.93Å; W506-V534 HydrophobicContact CD2-CG2 4.28Å; W506-V534 HydrophobicContact CZ2-CG2 3.87Å
507	N	91.1	Very high	89.3	Confident	32 Å²	32	52.5 Å²	52.5	17%	0.171	28%	0.277	C	S	.	.			trans	-99.3	-172	169.1	74.8	-30.9	0	0	0	111.3	D494 G498 S499 Q501 G511	D494-N507 PolarHBondContact OD2-ND2 3.06Å; G498-N507 WeakPolarHBondContact CA-O 3.33Å; G498-N507 WeakPolarHBondContact CA-OD1 3.23Å; S499-N507 PolarHBondContact N-OD1 2.93Å; S499-N507 PolarHBondContact O-OD1 3.23Å; S499-N507 VanDerWaalsContact O-OD1 3.11Å; Q501-N507 HydrophobicContact CG-CB 4.41Å; Q501-N507 PolarHBondContact NE2-ND2 2.88Å; N507-G511 PolarHBondContact O-N 3.25Å
508	G	91.8	Very high	89.5	Confident	4 Å²	4	50.8 Å²	50.8	4%	0.041	27%	0.27	C	S	.	.	H	α-helix	trans	66.3	-164	175.8	0	0	0	0	0	115.7	D494 K496 M510 G511 E512	D494-G508 VanDerWaalsContact OD1-CA 3.28Å; D494-G508 WeakPolarHBondContact OD1-CA 3.29Å; D494-G508 WeakPolarHBondContact OD2-CA 3.3Å; D494-G508 PolarHBondContact OD2-N 2.88Å; K496-G508 CarbonylContact O-C 3.53Å; K496-G508 WeakPolarHBondContact O-CA 3.21Å; G508-M510 PolarHBondContact O-N 2.89Å; G508-G511 PolarHBondContact O-N 2.79Å; G508-E512 PolarHBondContact O-N 3.33Å; G508-E512 VanDerWaalsContact O-N 3.11Å
509	L	94.3	Very high	89.6	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-50.2	-41.2	170	180	160.8	0	0	0	112	V447 V449 K496 Y497 E512 L513 L525	V447-L509 HydrophobicContact CG1-CD2 4.44Å; V447-L509 HydrophobicContact CG1-CG 3.88Å; V447-L509 HydrophobicContact CG2-CB 4.31Å; V447-L509 HydrophobicContact CG2-CG 4.17Å; V449-L509 HydrophobicContact CG2-CB 4.08Å; V449-L509 HydrophobicContact CG2-CD1 4.15Å; K496-L509 PolarHBondContact O-N 2.88Å; Y497-L509 WeakPolarHBondContact O-CB 3.28Å; Y497-L509 PolarHBondContact O-N 2.82Å; L509-E512 PolarHBondContact O-N 3.24Å; L509-L513 HydrophobicContact CD2-CD1 4.23Å; L509-L513 PolarHBondContact O-N 3.29Å; L509-L525 HydrophobicContact CD2-CD1 4.43Å; L509-L525 HydrophobicContact CD2-CD2 3.7Å
510	M	93.9	Very high	90	Very high	0 Å²	0	51.6 Å²	51.6	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-58.1	-48.1	173.7	-70.4	-64.1	-54.8	0	0	112.5	Y497 W506 G508 E512 L513 V514 R531 V534 V535	Y497-M510 WeakPolarHBondContact O-CG 3.44Å; Y497-M510 PolarHBondContact O-N 3.25Å; Y497-M510 VanDerWaalsContact O-N 3.07Å; W506-M510 HydrophobicContact CB-CB 4.45Å; W506-M510 HydrophobicContact CD2-CB 4.39Å; W506-M510 HydrophobicContact CE3-CB 3.75Å; W506-M510 HydrophobicContact CE3-CE 4.3Å; W506-M510 HydrophobicContact CE3-CG 4.04Å; W506-M510 HydrophobicContact CZ3-CB 4.41Å; W506-M510 HydrophobicContact CZ3-CE 4.3Å; W506-M510 HydrophobicContact CZ3-CG 4.2Å; G508-M510 PolarHBondContact O-N 2.89Å; M510-E512 PolarHBondContact O-N 2.92Å; M510-L513 PolarHBondContact O-N 3.14Å; M510-V514 WeakPolarHBondContact O-CG2 3.45Å; M510-V514 PolarHBondContact O-N 2.86Å; M510-R531 HydrophobicContact CE-CB 3.57Å; M510-R531 HydrophobicContact CE-CG 3.68Å; M510-R531 HydrophobicContact CG-CG 4.21Å; M510-R531 HydrophobicContact SD-CB 3.88Å; M510-R531 HydrophobicContact SD-CG 3.69Å; M510-V534 HydrophobicContact CE-CG2 3.64Å; M510-V535 HydrophobicContact CE-CB 4.22Å; M510-V535 HydrophobicContact CE-CG1 3.69Å; M510-V535 HydrophobicContact CE-CG2 3.54Å; M510-V535 HydrophobicContact SD-CG2 3.95Å
511	G	92.8	Very high	90.5	Very high	2 Å²	2	46.4 Å²	46.4	2%	0.021	25%	0.246	C	C	.	.	H	α-helix	trans	-60.3	-42.2	177.9	0	0	0	0	0	112.8	W506 N507 G508 L513 V514 F515	W506-G511 VanDerWaalsContact O-CA 3.26Å; W506-G511 WeakPolarHBondContact O-CA 3.34Å; N507-G511 PolarHBondContact O-N 3.25Å; G508-G511 PolarHBondContact O-N 2.79Å; G511-L513 VanDerWaalsContact C-N 3.25Å; G511-L513 PolarHBondContact O-N 3.43Å; G511-V514 PolarHBondContact O-N 2.72Å; G511-F515 WeakPolarHBondContact O-CB 3.49Å; G511-F515 WeakPolarHBondContact O-CD2 3.36Å; G511-F515 WeakPolarHBondContact O-CG 3.35Å; G511-F515 PolarHBondContact O-N 3.1Å
512	E	95.1	Very high	91	Very high	16 Å²	16	43 Å²	43	8%	0.075	23%	0.23	C	C	.	.	H	α-helix	trans	-61	-31.8	177.3	-70.3	-68.6	115	0	0	113	V447 Y490 G508 L509 M510 K516 R517 A518	V447-E512 HydrophobicContact CB-CB 4.37Å; V447-E512 HydrophobicContact CG1-CB 4.24Å; V447-E512 HydrophobicContact CG2-CB 4.07Å; V447-E512 HydrophobicContact CG2-CG 4.17Å; Y490-E512 WeakPolarHBondContact CE2-OE2 3.41Å; Y490-E512 PolarHBondContact OH-OE2 3.31Å; G508-E512 PolarHBondContact O-N 3.33Å; G508-E512 VanDerWaalsContact O-N 3.11Å; L509-E512 PolarHBondContact O-N 3.24Å; M510-E512 PolarHBondContact O-N 2.92Å; E512-K516 PolarHBondContact O-N 3.41Å; E512-R517 VanDerWaalsContact CD-CD 3.46Å; E512-R517 WeakPolarHBondContact O-CB 3.21Å; E512-R517 PolarHBondContact O-N 3.48Å; E512-R517 WeakPolarHBondContact OE1-CD 3.47Å; E512-R517 IonicContact OE1-CZ 2.79Å; E512-R517 IonicContact OE1-NE 2.7Å; E512-R517 IonicContact OE1-NH1 3.61Å; E512-R517 PolarHBondContact OE1-NH1 3.25Å; E512-R517 VanDerWaalsContact OE2-CB 3.26Å; E512-R517 WeakPolarHBondContact OE2-CB 3.39Å; E512-R517 WeakPolarHBondContact OE2-CD 3.29Å; E512-A518 HydrophobicContact CB-CB 4.42Å; E512-A518 PolarHBondContact O-N 3.41Å; E512-A518 VanDerWaalsContact O-N 3.08Å
513	L	93.8	Very high	91.4	Very high	2 Å²	2	36.7 Å²	36.7	1%	0.01	19%	0.185	C	C	.	.	H	α-helix	trans	-76.1	-47.1	171.7	-69.9	175.6	0	0	0	112.6	V447 L509 M510 G511 F515 K516 A518 V535 A774	V447-L513 HydrophobicContact CG1-CD2 4.45Å; V447-L513 HydrophobicContact CG1-CG 4.35Å; L509-L513 HydrophobicContact CD2-CD1 4.23Å; L509-L513 PolarHBondContact O-N 3.29Å; M510-L513 PolarHBondContact O-N 3.14Å; G511-L513 VanDerWaalsContact C-N 3.25Å; G511-L513 PolarHBondContact O-N 3.43Å; L513-F515 VanDerWaalsContact C-N 3.3Å; L513-F515 PolarHBondContact O-N 3.18Å; L513-K516 WeakPolarHBondContact O-CA 3.44Å; L513-K516 PolarHBondContact O-N 3.48Å; L513-A518 HydrophobicContact CD2-CB 4.09Å; L513-V535 HydrophobicContact CB-CG1 3.85Å; L513-V535 HydrophobicContact CD1-CB 4.45Å; L513-V535 HydrophobicContact CD1-CG1 4.18Å; L513-A774 HydrophobicContact CD1-CB 3.49Å; L513-A774 VanDerWaalsContact CD1-CB 3.49Å
514	V	90.6	Very high	91.8	Very high	54 Å²	54	31.5 Å²	31.5	33%	0.327	16%	0.158	S	C	.	.	H	α-helix	trans	-61.4	-38.5	179.9	171.9	0	0	0	0	111.3	M510 G511 K516 V534 V535	M510-V514 WeakPolarHBondContact O-CG2 3.45Å; M510-V514 PolarHBondContact O-N 2.86Å; G511-V514 PolarHBondContact O-N 2.72Å; V514-K516 VanDerWaalsContact C-N 3.27Å; V514-K516 PolarHBondContact O-N 3.2Å; V514-V534 HydrophobicContact CG2-CB 4.07Å; V514-V534 HydrophobicContact CG2-CG2 4.08Å; V514-V535 HydrophobicContact CG2-CG1 3.94Å
515	F	89.9	Confident	92.3	Very high	87 Å²	87	29.2 Å²	29.2	38%	0.382	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.6	6.1	173.3	-60.2	-54.3	0	0	0	114.3	G511 L513 R517	G511-F515 WeakPolarHBondContact O-CB 3.49Å; G511-F515 WeakPolarHBondContact O-CD2 3.36Å; G511-F515 WeakPolarHBondContact O-CG 3.35Å; G511-F515 PolarHBondContact O-N 3.1Å; L513-F515 VanDerWaalsContact C-N 3.3Å; L513-F515 PolarHBondContact O-N 3.18Å; F515-R517 HydrophobicContact CB-CG 4.13Å; F515-R517 PolarHBondContact O-N 2.83Å
516	K	88.2	Confident	92.5	Very high	131 Å²	131	25.3 Å²	25.3	57%	0.57	12%	0.117	S	C	*	.	T	Hydrogen-bonded Turn	trans	57.4	26.2	177.3	-52.3	-166.3	170.6	-157.1	0	115.5	R445 E512 L513 V514 Q776	R445-K516 PolarHBondContact NH2-O 3.5Å; E512-K516 PolarHBondContact O-N 3.41Å; L513-K516 WeakPolarHBondContact O-CA 3.44Å; L513-K516 PolarHBondContact O-N 3.48Å; V514-K516 VanDerWaalsContact C-N 3.27Å; V514-K516 PolarHBondContact O-N 3.2Å; K516-Q776 VanDerWaalsContact CD-OE1 3.3Å; K516-Q776 HydrophobicContact CG-CG 4.42Å
517	R	89.8	Confident	92.5	Very high	130 Å²	130	25.7 Å²	25.7	49%	0.491	12%	0.121	S	C	.	.	S	Bend	trans	-79.5	-34.2	176.8	-62.6	171.1	-175.2	171.7	5.7	111.5	R445 Y490 E512 F515	R445-R517 PolarHBondContact NH1-O 2.91Å; Y490-R517 PolarHBondContact OH-O 3.13Å; E512-R517 VanDerWaalsContact CD-CD 3.46Å; E512-R517 WeakPolarHBondContact O-CB 3.21Å; E512-R517 PolarHBondContact O-N 3.48Å; E512-R517 WeakPolarHBondContact OE1-CD 3.47Å; E512-R517 IonicContact OE1-CZ 2.79Å; E512-R517 IonicContact OE1-NE 2.7Å; E512-R517 IonicContact OE1-NH1 3.61Å; E512-R517 PolarHBondContact OE1-NH1 3.25Å; E512-R517 VanDerWaalsContact OE2-CB 3.26Å; E512-R517 WeakPolarHBondContact OE2-CB 3.39Å; E512-R517 WeakPolarHBondContact OE2-CD 3.29Å; F515-R517 HydrophobicContact CB-CG 4.13Å; F515-R517 PolarHBondContact O-N 2.83Å
518	A	93.5	Very high	92.4	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	11%	0.114	C	C	.	.			trans	-110.1	159.9	166	0	0	0	0	0	111.4	V447 Y490 E512 L513 Q776	V447-A518 HydrophobicContact CB-CB 3.63Å; V447-A518 HydrophobicContact CG1-CB 3.32Å; Y490-A518 HydrophobicContact CE1-CB 4.05Å; Y490-A518 PolarHBondContact OH-N 3.37Å; E512-A518 HydrophobicContact CB-CB 4.42Å; E512-A518 PolarHBondContact O-N 3.41Å; E512-A518 VanDerWaalsContact O-N 3.08Å; L513-A518 HydrophobicContact CD2-CB 4.09Å; A518-Q776 PolarHBondContact O-NE2 2.78Å
519	D	90.4	Very high	92.1	Very high	34 Å²	34	28.5 Å²	28.5	18%	0.182	14%	0.14	C	C	.	.	S	Bend	trans	-101	-33.8	178.2	-50.8	-53.7	0	0	0	111.1	L444 R445 Q776	L444-D519 HydrophobicContact CD2-CB 4.34Å; R445-D519 VanDerWaalsContact CB-OD2 3.25Å; R445-D519 WeakPolarHBondContact CB-OD2 3.44Å; R445-D519 WeakPolarHBondContact CG-OD2 3.32Å; R445-D519 IonicContact CZ-OD1 2.71Å; R445-D519 IonicContact CZ-OD2 3.75Å; R445-D519 PolarHBondContact N-OD2 2.87Å; R445-D519 IonicContact NE-OD1 2.88Å; R445-D519 IonicContact NE-OD2 3.3Å; R445-D519 PolarHBondContact NE-OD2 2.84Å; R445-D519 IonicContact NH2-OD1 3.52Å; R445-D519 PolarHBondContact NH2-OD1 3.49Å; R445-D519 IonicContact NH2-OD2 3.65Å; R445-D519 PolarHBondContact O-N 2.98Å; D519-Q776 PolarHBondContact OD1-NE2 2.89Å
520	V	95.2	Very high	91.7	Very high	1 Å²	1	34 Å²	34	1%	0.006	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	140.1	-179.5	179.8	0	0	0	0	109.7	L444 R445 V446 V447 I773 A774 M775	L444-V520 HydrophobicContact CB-CG2 4.46Å; L444-V520 HydrophobicContact CD1-CG2 4.05Å; R445-V520 PolarHBondContact O-N 2.85Å; V446-V520 CarbonylContact C-O 3.53Å; V446-V520 VanDerWaalsContact CA-O 3.31Å; V446-V520 WeakPolarHBondContact CA-O 3.38Å; V446-V520 HydrophobicContact CG2-CB 4.28Å; V447-V520 WeakPolarHBondContact CG1-O 3.31Å; V447-V520 PolarHBondContact N-O 3Å; V520-I773 HydrophobicContact CG1-CG2 3.35Å; V520-A774 CarbonylContact C-O 3.52Å; V520-A774 WeakPolarHBondContact CA-O 3.4Å; V520-M775 HydrophobicContact CG2-CE 4.39Å; V520-M775 HydrophobicContact CG2-CG 4.34Å
521	G	95.8	Very high	91.5	Very high	0 Å²	0	34.5 Å²	34.5	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.3	124.2	175.1	0	0	0	0	0	111.4	V447 A774	V447-G521 WeakPolarHBondContact O-CA 3.35Å; G521-A774 PolarHBondContact N-O 3.46Å; G521-A774 PolarHBondContact O-N 2.88Å
522	L	95.2	Very high	91.2	Very high	1 Å²	1	39.8 Å²	39.8	1%	0.005	19%	0.192	C	C	.	.			trans	-137.7	117.8	-170.2	179.6	74.3	0	0	0	110.4	V446 V447 T448 I473 L476 I773	V446-L522 HydrophobicContact CG1-CB 3.75Å; V446-L522 HydrophobicContact CG1-CD2 4.15Å; V447-L522 PolarHBondContact O-N 3.06Å; T448-L522 VanDerWaalsContact CA-O 3.31Å; T448-L522 WeakPolarHBondContact CA-O 3.17Å; T448-L522 VanDerWaalsContact CB-O 3.25Å; T448-L522 WeakPolarHBondContact CB-O 3.34Å; T448-L522 PolarHBondContact OG1-O 2.77Å; I473-L522 HydrophobicContact CD1-CD2 4.29Å; L476-L522 HydrophobicContact CB-CD2 3.68Å; L476-L522 HydrophobicContact CD1-CD2 4.26Å; L476-L522 HydrophobicContact CD2-CD2 3.71Å; L476-L522 HydrophobicContact CG-CD2 4.08Å; L522-I773 HydrophobicContact CD1-CD1 4.05Å; L522-I773 HydrophobicContact CD1-CG1 3.92Å
523	S	92.9	Very high	90.8	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.217	C	C	.	.	S	Bend	trans	-170.6	-159.8	169.4	-170.7	0	0	0	0	107.3	V449 L525 Y541	V449-S523 PolarHBondContact O-OG 2.94Å; S523-L525 PolarHBondContact O-N 2.86Å; S523-Y541 PolarHBondContact O-OH 3.36Å
524	A	92.3	Very high	90.4	Very high	5 Å²	5	45.1 Å²	45.1	4%	0.041	23%	0.229	C	C	.	.	S	Bend	trans	-69.3	49.2	167.3	0	0	0	0	0	112.5	F454 Y497 T526 Y771	F454-A524 HydrophobicContact CB-CB 4.26Å; F454-A524 HydrophobicContact CD1-CB 4.17Å; F454-A524 HydrophobicContact CD2-CB 3.68Å; F454-A524 HydrophobicContact CE1-CB 4.42Å; F454-A524 HydrophobicContact CE2-CB 3.97Å; F454-A524 HydrophobicContact CG-CB 3.77Å; F454-A524 HydrophobicContact CZ-CB 4.33Å; Y497-A524 HydrophobicContact CE1-CB 4.47Å; A524-T526 PolarHBondContact O-N 3.4Å; A524-Y771 HydrophobicContact CB-CD1 4.4Å; A524-Y771 HydrophobicContact CB-CE1 4.34Å
525	L	92.9	Very high	90.4	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.			trans	-84.2	98.3	-168.6	-173.2	66.6	0	0	0	111.4	Y497 L509 S523 I527 F537 Y771 G772 A774	Y497-L525 HydrophobicContact CD1-CD1 4.1Å; L509-L525 HydrophobicContact CD2-CD1 4.43Å; L509-L525 HydrophobicContact CD2-CD2 3.7Å; S523-L525 PolarHBondContact O-N 2.86Å; L525-I527 PolarHBondContact O-N 3.48Å; L525-F537 HydrophobicContact CD2-CE1 3.69Å; L525-F537 HydrophobicContact CD2-CZ 4.12Å; L525-F537 HydrophobicContact CG-CE1 3.95Å; L525-F537 HydrophobicContact CG-CZ 4.33Å; L525-Y771 WeakPolarHBondContact O-CA 3.31Å; L525-G772 PolarHBondContact O-N 2.78Å; L525-A774 HydrophobicContact CD2-CB 3.52Å
526	T	92.1	Very high	90.2	Very high	7 Å²	7	39.2 Å²	39.2	4%	0.043	20%	0.2	C	C	.	.	B	Isolated β-bridge	trans	-60.2	128.9	172.5	-30.6	0	0	0	0	111.1	A524 T528 R531 Y544 R769	A524-T526 PolarHBondContact O-N 3.4Å; T526-T528 PolarHBondContact O-N 3.33Å; T526-R531 PolarHBondContact O-NH1 3.09Å; T526-Y544 HydrophobicContact CG2-CD1 3.74Å; T526-Y544 HydrophobicContact CG2-CD2 3.86Å; T526-Y544 HydrophobicContact CG2-CE1 3.81Å; T526-Y544 HydrophobicContact CG2-CE2 3.93Å; T526-Y544 HydrophobicContact CG2-CG 3.73Å; T526-R769 HydrophobicContact CG2-CB 4.16Å
527	I	91.8	Very high	90.5	Very high	33 Å²	33	33.8 Å²	33.8	17%	0.169	18%	0.176	C	C	.	.			trans	-67.6	127.6	170.1	-53.7	171	0	0	0	108.4	L525 F537 R540 G770	L525-I527 PolarHBondContact O-N 3.48Å; I527-F537 HydrophobicContact CB-CD1 4.49Å; I527-F537 HydrophobicContact CD1-CB 4.4Å; I527-F537 HydrophobicContact CG1-CB 4.32Å; I527-F537 HydrophobicContact CG1-CD1 3.71Å; I527-F537 HydrophobicContact CG1-CE1 4.11Å; I527-F537 HydrophobicContact CG1-CG 3.99Å; I527-F537 HydrophobicContact CG2-CB 4.48Å; I527-F537 HydrophobicContact CG2-CD2 4.05Å; I527-F537 HydrophobicContact CG2-CE2 4.42Å; I527-F537 HydrophobicContact CG2-CG 4.12Å; I527-R540 HydrophobicContact CD1-CB 4.21Å; I527-G770 PolarHBondContact N-O 3.23Å; I527-G770 VanDerWaalsContact N-O 3.09Å
528	T	88.2	Confident	90.6	Very high	6 Å²	6	28 Å²	28	4%	0.037	16%	0.155	C	C	.	.			trans	-136.9	148.9	173.3	75	0	0	0	0	110.4	T526 E530 R531 E532	T526-T528 PolarHBondContact O-N 3.33Å; T528-E530 PolarHBondContact O-N 3.13Å; T528-R531 PolarHBondContact O-N 3.47Å; T528-R531 WeakPolarHBondContact OG1-CG 3.31Å; T528-R531 PolarHBondContact OG1-N 3.13Å; T528-E532 WeakPolarHBondContact O-CB 3.48Å; T528-E532 PolarHBondContact O-N 3.05Å
529	P	85.8	Confident	90.4	Very high	90 Å²	90	30.1 Å²	30.1	58%	0.584	17%	0.168	S	C	*	.	H	α-helix	trans	-58.6	-33.2	-177.5	-26.3	35.3	0	0	0	113.9	S533	P529-S533 PolarHBondContact O-N 3.5Å
530	E	85.3	Confident	90.4	Very high	114 Å²	114	34.1 Å²	34.1	53%	0.533	18%	0.181	S	C	.	.	H	α-helix	trans	-65	-41.4	177.1	-63.9	154.1	160.9	0	0	111.3	W506 T528 S533	W506-E530 HydrophobicContact CH2-CB 4.25Å; W506-E530 WeakPolarHBondContact CZ2-O 3.47Å; T528-E530 PolarHBondContact O-N 3.13Å; E530-S533 PolarHBondContact O-OG 2.92Å
531	R	89.2	Confident	90.3	Very high	12 Å²	12	34.4 Å²	34.4	5%	0.045	18%	0.182	C	C	.	.	H	α-helix	trans	-73.4	-43.4	176.9	-69	177.3	171.6	160.6	-1.3	111.5	G498 W506 M510 T526 T528 S533 V534 V535 F537	G498-R531 PolarHBondContact O-NE 2.92Å; G498-R531 PolarHBondContact O-NH2 2.76Å; W506-R531 HydrophobicContact CH2-CG 3.89Å; W506-R531 HydrophobicContact CZ3-CG 3.93Å; M510-R531 HydrophobicContact CE-CB 3.57Å; M510-R531 HydrophobicContact CE-CG 3.68Å; M510-R531 HydrophobicContact CG-CG 4.21Å; M510-R531 HydrophobicContact SD-CB 3.88Å; M510-R531 HydrophobicContact SD-CG 3.69Å; T526-R531 PolarHBondContact O-NH1 3.09Å; T528-R531 PolarHBondContact O-N 3.47Å; T528-R531 WeakPolarHBondContact OG1-CG 3.31Å; T528-R531 PolarHBondContact OG1-N 3.13Å; R531-S533 PolarHBondContact O-N 3.08Å; R531-V534 VanDerWaalsContact O-CG2 3.25Å; R531-V534 WeakPolarHBondContact O-CG2 2.95Å; R531-V534 PolarHBondContact O-N 2.64Å; R531-V535 PolarHBondContact O-N 3.09Å; R531-F537 HydrophobicContact CB-CE2 3.75Å; R531-F537 HydrophobicContact CB-CZ 3.96Å
532	E	88.2	Confident	90.1	Very high	112 Å²	112	35.4 Å²	35.4	52%	0.523	19%	0.187	S	C	.	.	H	α-helix	trans	-61.6	-21.4	177.6	-169.7	171.9	-154	0	0	112.6	T528 V534 V535 F537	T528-E532 WeakPolarHBondContact O-CB 3.48Å; T528-E532 PolarHBondContact O-N 3.05Å; E532-V534 VanDerWaalsContact C-N 3.28Å; E532-V534 PolarHBondContact O-N 3.41Å; E532-V535 WeakPolarHBondContact CA-O 3.47Å; E532-F537 HydrophobicContact CB-CD2 4.21Å; E532-F537 HydrophobicContact CB-CE2 4.44Å
533	S	86.8	Confident	89.8	Confident	88 Å²	88	39.4 Å²	39.4	62%	0.615	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73	-11.9	172.4	79.1	0	0	0	0	115.1	P529 E530 R531	P529-S533 PolarHBondContact O-N 3.5Å; E530-S533 PolarHBondContact O-OG 2.92Å; R531-S533 PolarHBondContact O-N 3.08Å
534	V	85.6	Confident	89.6	Confident	43 Å²	43	39.6 Å²	39.6	26%	0.261	21%	0.209	S	C	.	.	T	Hydrogen-bonded Turn	trans	-132	-17.3	-176	-65.1	0	0	0	0	115.2	W506 M510 V514 R531 E532	W506-V534 HydrophobicContact CD2-CG2 4.28Å; W506-V534 HydrophobicContact CZ2-CG2 3.87Å; M510-V534 HydrophobicContact CE-CG2 3.64Å; V514-V534 HydrophobicContact CG2-CB 4.07Å; V514-V534 HydrophobicContact CG2-CG2 4.08Å; R531-V534 VanDerWaalsContact O-CG2 3.25Å; R531-V534 WeakPolarHBondContact O-CG2 2.95Å; R531-V534 PolarHBondContact O-N 2.64Å; E532-V534 VanDerWaalsContact C-N 3.28Å; E532-V534 PolarHBondContact O-N 3.41Å
535	V	88.9	Confident	89.4	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.006	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	149.3	172.6	-54.8	0	0	0	0	109.8	M510 L513 V514 R531 E532 F537 A774 M775	M510-V535 HydrophobicContact CE-CB 4.22Å; M510-V535 HydrophobicContact CE-CG1 3.69Å; M510-V535 HydrophobicContact CE-CG2 3.54Å; M510-V535 HydrophobicContact SD-CG2 3.95Å; L513-V535 HydrophobicContact CB-CG1 3.85Å; L513-V535 HydrophobicContact CD1-CB 4.45Å; L513-V535 HydrophobicContact CD1-CG1 4.18Å; V514-V535 HydrophobicContact CG2-CG1 3.94Å; R531-V535 PolarHBondContact O-N 3.09Å; E532-V535 WeakPolarHBondContact CA-O 3.47Å; V535-F537 HydrophobicContact CG2-CD2 4.23Å; V535-F537 HydrophobicContact CG2-CE2 3.71Å; V535-F537 HydrophobicContact CG2-CZ 4.1Å; V535-A774 HydrophobicContact CG2-CB 3.99Å; V535-M775 WeakPolarHBondContact CB-O 3.32Å
536	D	87.1	Confident	89.2	Confident	15 Å²	15	40.9 Å²	40.9	8%	0.08	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	133.9	176.5	-81.1	26.8	0	0	0	109.7	A774 M775 H777 G778 R782	D536-A774 CarbonylContact O-C 3.53Å; D536-A774 WeakPolarHBondContact O-CA 3.38Å; D536-M775 PolarHBondContact N-O 3.42Å; D536-M775 PolarHBondContact O-N 3.42Å; D536-H777 WeakPolarHBondContact OD1-CA 3.26Å; D536-H777 IonicContact OD1-CE1 3.35Å; D536-H777 IonicContact OD1-CG 3.47Å; D536-H777 IonicContact OD1-ND1 2.64Å; D536-H777 PolarHBondContact OD1-ND1 3.43Å; D536-G778 PolarHBondContact OD1-N 2.88Å; D536-G778 PolarHBondContact OD2-N 2.88Å; D536-R782 HydrophobicContact CB-CG 4.33Å; D536-R782 WeakPolarHBondContact OD2-CD 3.26Å; D536-R782 IonicContact OD2-CZ 3.66Å; D536-R782 IonicContact OD2-NE 3.94Å; D536-R782 IonicContact OD2-NH1 3.56Å; D536-R782 PolarHBondContact OD2-NH1 3.02Å
537	F	92.8	Very high	89.1	Confident	18 Å²	18	40.7 Å²	40.7	8%	0.079	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	151.2	171.7	-76.6	-86.9	0	0	0	111.9	L525 I527 R531 E532 V535 I773 A774 R782	L525-F537 HydrophobicContact CD2-CE1 3.69Å; L525-F537 HydrophobicContact CD2-CZ 4.12Å; L525-F537 HydrophobicContact CG-CE1 3.95Å; L525-F537 HydrophobicContact CG-CZ 4.33Å; I527-F537 HydrophobicContact CB-CD1 4.49Å; I527-F537 HydrophobicContact CD1-CB 4.4Å; I527-F537 HydrophobicContact CG1-CB 4.32Å; I527-F537 HydrophobicContact CG1-CD1 3.71Å; I527-F537 HydrophobicContact CG1-CE1 4.11Å; I527-F537 HydrophobicContact CG1-CG 3.99Å; I527-F537 HydrophobicContact CG2-CB 4.48Å; I527-F537 HydrophobicContact CG2-CD2 4.05Å; I527-F537 HydrophobicContact CG2-CE2 4.42Å; I527-F537 HydrophobicContact CG2-CG 4.12Å; R531-F537 HydrophobicContact CB-CE2 3.75Å; R531-F537 HydrophobicContact CB-CZ 3.96Å; E532-F537 HydrophobicContact CB-CD2 4.21Å; E532-F537 HydrophobicContact CB-CE2 4.44Å; V535-F537 HydrophobicContact CG2-CD2 4.23Å; V535-F537 HydrophobicContact CG2-CE2 3.71Å; V535-F537 HydrophobicContact CG2-CZ 4.1Å; F537-I773 WeakPolarHBondContact CA-O 3.08Å; F537-A774 HydrophobicContact CD1-CB 4.09Å; F537-A774 HydrophobicContact CE1-CB 3.83Å; F537-A774 HydrophobicContact CZ-CB 4.25Å; F537-R782 WeakPolarHBondContact O-CG 3.49Å
538	T	92.1	Very high	89.1	Confident	7 Å²	7	39.2 Å²	39.2	4%	0.043	21%	0.209	C	C	.	.	P	Polyproline II helix	trans	-73.2	172.2	162.9	64.1	0	0	0	0	111.5	I773 M775 F785 S786 I789	T538-I773 HydrophobicContact CG2-CB 3.88Å; T538-I773 PolarHBondContact N-O 3.24Å; T538-I773 PolarHBondContact OG1-N 3.36Å; T538-I773 PolarHBondContact OG1-O 3.3Å; T538-M775 HydrophobicContact CG2-CE 4.08Å; T538-F785 HydrophobicContact CG2-CB 3.8Å; T538-S786 VanDerWaalsContact CA-OG 3.23Å; T538-S786 WeakPolarHBondContact CA-OG 3.31Å; T538-S786 WeakPolarHBondContact CB-OG 3.37Å; T538-I789 HydrophobicContact CG2-CD1 4.18Å; T538-I789 WeakPolarHBondContact OG1-CD1 3.23Å
539	T	89.9	Confident	89.3	Confident	46 Å²	46	38.9 Å²	38.9	28%	0.282	21%	0.207	S	C	.	.	S	Bend	trans	-48.2	144.6	155.6	44.4	0	0	0	0	111.1	Y541 S786 L790	T539-Y541 PolarHBondContact O-N 3.05Å; T539-S786 PolarHBondContact N-OG 2.95Å; T539-S786 VanDerWaalsContact N-OG 3.13Å; T539-S786 VanDerWaalsContact OG1-CA 3.23Å; T539-S786 WeakPolarHBondContact OG1-CA 3.31Å; T539-S786 WeakPolarHBondContact OG1-CB 3.23Å; T539-S786 PolarHBondContact OG1-O 2.72Å; T539-L790 HydrophobicContact CG2-CD1 4.13Å; T539-L790 HydrophobicContact CG2-CD2 4.32Å; T539-L790 HydrophobicContact CG2-CG 4.17Å
540	R	91.5	Very high	89.5	Confident	118 Å²	118	34.8 Å²	34.8	45%	0.445	18%	0.181	S	C	.	.	P	Polyproline II helix	trans	-65.3	126.4	178.8	49.4	169.3	160	-175	-12.5	110.6	I527 D543 Y771 Q793	I527-R540 HydrophobicContact CD1-CB 4.21Å; R540-D543 VanDerWaalsContact CD-OD1 3.32Å; R540-D543 WeakPolarHBondContact CD-OD1 3.47Å; R540-D543 IonicContact CZ-OD1 3.68Å; R540-D543 IonicContact NE-OD1 3.24Å; R540-D543 IonicContact NH1-OD1 2.67Å; R540-D543 PolarHBondContact NH1-OD1 3.26Å; R540-Y771 CarbonylContact C-O 3.57Å; R540-Y771 WeakPolarHBondContact CA-O 3.25Å; R540-Q793 PolarHBondContact O-NE2 2.99Å
541	Y	91.8	Very high	89.6	Confident	6 Å²	6	34.6 Å²	34.6	2%	0.024	18%	0.175	C	C	.	.	S	Bend	trans	-86.6	-24.2	179.5	67	-97.5	0	0	0	112.4	F471 S472 S523 T539 Y771 I773 Q793 M798	F471-Y541 HydrophobicContact CD1-CE2 4.09Å; F471-Y541 AromaticContact CE1-CD2 3.87Å; F471-Y541 HydrophobicContact CE1-CD2 3.87Å; F471-Y541 AromaticContact CE1-CE2 3.66Å; F471-Y541 HydrophobicContact CE1-CE2 3.66Å; F471-Y541 HydrophobicContact CZ-CD2 4.41Å; S472-Y541 PolarHBondContact OG-OH 3.01Å; S523-Y541 PolarHBondContact O-OH 3.36Å; T539-Y541 PolarHBondContact O-N 3.05Å; Y541-Y771 WeakPolarHBondContact CD1-O 3.46Å; Y541-Y771 PolarHBondContact N-O 2.98Å; Y541-I773 HydrophobicContact CD1-CG1 4.05Å; Y541-I773 HydrophobicContact CE1-CG1 4.17Å; Y541-Q793 PolarHBondContact O-NE2 3.28Å; Y541-Q793 VanDerWaalsContact O-NE2 3.15Å; Y541-M798 HydrophobicContact CD2-CE 4.13Å; Y541-M798 WeakPolarHBondContact O-CE 3.49Å
542	M	91	Very high	89.2	Confident	22 Å²	22	37.4 Å²	37.4	11%	0.108	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.9	148.8	175.2	170.7	-177.5	179.5	0	0	109.9	F454 F471 A745 G770 Y771 W806	F454-M542 HydrophobicContact CE1-SD 4.01Å; F454-M542 HydrophobicContact CZ-CE 4.47Å; F454-M542 HydrophobicContact CZ-SD 4.22Å; F471-M542 HydrophobicContact CD1-SD 3.99Å; F471-M542 HydrophobicContact CE1-CB 3.99Å; F471-M542 HydrophobicContact CE1-CG 4.32Å; F471-M542 HydrophobicContact CE1-SD 3.42Å; F471-M542 WeakPolarHBondContact CE1-SD 3.26Å; F471-M542 HydrophobicContact CZ-CB 4.46Å; F471-M542 HydrophobicContact CZ-SD 4.18Å; M542-A745 HydrophobicContact CE-CB 3.62Å; M542-G770 CarbonylContact O-C 3.56Å; M542-G770 VanDerWaalsContact O-CA 3.3Å; M542-G770 WeakPolarHBondContact O-CA 3.48Å; M542-Y771 HydrophobicContact CB-CD2 3.82Å; M542-Y771 HydrophobicContact CB-CE2 4.33Å; M542-Y771 HydrophobicContact CE-CE2 4.34Å; M542-Y771 HydrophobicContact CG-CD2 3.86Å; M542-Y771 HydrophobicContact CG-CE2 3.84Å; M542-Y771 VanDerWaalsContact O-CD2 3.32Å; M542-Y771 WeakPolarHBondContact O-CD2 3.31Å; M542-Y771 PolarHBondContact O-N 2.93Å; M542-Y771 HydrophobicContact SD-CD2 4.25Å; M542-Y771 HydrophobicContact SD-CE2 4.01Å; M542-W806 HydrophobicContact CE-CH2 4.07Å; M542-W806 HydrophobicContact CE-CZ2 4.31Å; M542-W806 HydrophobicContact CE-CZ3 4.29Å; M542-W806 HydrophobicContact SD-CH2 4.29Å; M542-W806 HydrophobicContact SD-CZ3 4.37Å
543	D	89.8	Confident	88.3	Confident	85 Å²	85	35 Å²	35	46%	0.455	19%	0.187	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	145.9	177.5	-75.5	-39	0	0	0	113	R540 P767 Y771	R540-D543 VanDerWaalsContact CD-OD1 3.32Å; R540-D543 WeakPolarHBondContact CD-OD1 3.47Å; R540-D543 IonicContact CZ-OD1 3.68Å; R540-D543 IonicContact NE-OD1 3.24Å; R540-D543 IonicContact NH1-OD1 2.67Å; R540-D543 PolarHBondContact NH1-OD1 3.26Å; D543-P767 HydrophobicContact CB-CB 4.08Å; D543-P767 HydrophobicContact CB-CG 4.45Å; D543-Y771 VanDerWaalsContact O-CE2 3.27Å; D543-Y771 WeakPolarHBondContact O-CE2 3.33Å
544	Y	88.2	Confident	87.2	Confident	3 Å²	3	37.4 Å²	37.4	1%	0.012	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	138.5	-179.2	159.8	-83.3	0	0	0	110.2	T526 V546 Q691 P767 R769 Y771	T526-Y544 HydrophobicContact CG2-CD1 3.74Å; T526-Y544 HydrophobicContact CG2-CD2 3.86Å; T526-Y544 HydrophobicContact CG2-CE1 3.81Å; T526-Y544 HydrophobicContact CG2-CE2 3.93Å; T526-Y544 HydrophobicContact CG2-CG 3.73Å; Y544-V546 HydrophobicContact CE1-CG2 4.14Å; Y544-V546 WeakPolarHBondContact OH-CG2 3.17Å; Y544-Q691 VanDerWaalsContact CE1-OE1 3.31Å; Y544-Q691 PolarHBondContact OH-OE1 3.17Å; Y544-P767 WeakPolarHBondContact O-CA 3.2Å; Y544-P767 WeakPolarHBondContact O-CB 3.35Å; Y544-R769 HydrophobicContact CD1-CB 3.87Å; Y544-R769 PolarHBondContact N-O 3.36Å; Y544-Y771 AromaticContact CD2-CE1 3.67Å; Y544-Y771 HydrophobicContact CD2-CE1 3.67Å; Y544-Y771 AromaticContact CD2-CZ 3.88Å; Y544-Y771 HydrophobicContact CG-CE1 4.29Å
545	S	87.6	Confident	86	Confident	28 Å²	28	43.7 Å²	43.7	20%	0.196	21%	0.207	C	C	.	.			trans	-142.4	153.6	169.2	65.5	0	0	0	0	110.2	A744	S545-A744 VanDerWaalsContact O-CB 3.26Å; S545-A744 WeakPolarHBondContact O-CB 3.31Å; S545-A744 PolarHBondContact O-N 2.77Å; S545-A744 VanDerWaalsContact OG-CB 3.31Å; S545-A744 WeakPolarHBondContact OG-CB 3.42Å
546	V	89.2	Confident	84.5	Confident	5 Å²	5	49.5 Å²	49.5	3%	0.03	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	134.5	173.4	179.5	0	0	0	0	108.6	Y544 L669 V688 V741 S764	Y544-V546 HydrophobicContact CE1-CG2 4.14Å; Y544-V546 WeakPolarHBondContact OH-CG2 3.17Å; V546-L669 HydrophobicContact CG1-CD2 4.46Å; V546-V688 HydrophobicContact CG1-CG1 4.06Å; V546-V688 HydrophobicContact CG2-CG1 4.38Å; V546-V741 HydrophobicContact CG1-CG1 3.69Å; V546-S764 PolarHBondContact O-N 2.75Å
547	G	90.5	Very high	83.3	Confident	2 Å²	2	52.4 Å²	52.4	2%	0.021	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.7	177.4	173.9	0	0	0	0	0	112.5	V741 W742 V762	G547-V741 WeakPolarHBondContact O-CA 3.47Å; G547-W742 PolarHBondContact N-O 3.14Å; G547-W742 PolarHBondContact O-N 2.68Å; G547-W742 VanDerWaalsContact O-O 3.08Å; G547-V762 CarbonylContact C-O 3.56Å; G547-V762 WeakPolarHBondContact CA-O 3.29Å
548	V	91.9	Very high	82	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.012	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.3	179	-169.1	0	0	0	0	109.9	L550 L669 L672 F740 V741 T761 V762	V548-L550 HydrophobicContact CG1-CD2 4.06Å; V548-L550 HydrophobicContact CG1-CG 4.18Å; V548-L669 HydrophobicContact CG2-CD1 3.97Å; V548-L669 HydrophobicContact CG2-CG 4.12Å; V548-L672 HydrophobicContact CB-CD2 4.19Å; V548-L672 HydrophobicContact CG1-CD2 3.78Å; V548-L672 HydrophobicContact CG2-CD2 3.69Å; V548-F740 VanDerWaalsContact CA-O 3.31Å; V548-F740 WeakPolarHBondContact CA-O 3.37Å; V548-V741 HydrophobicContact CG1-CG2 4.29Å; V548-V741 HydrophobicContact CG2-CB 4.42Å; V548-V741 HydrophobicContact CG2-CG1 4.28Å; V548-V741 HydrophobicContact CG2-CG2 4Å; V548-T761 WeakPolarHBondContact O-CA 3.28Å; V548-V762 PolarHBondContact N-O 3.39Å; V548-V762 PolarHBondContact O-N 3.43Å
549	L	92.1	Very high	80.8	Confident	0 Å²	0	60.8 Å²	60.8	0%	0	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	126.8	174.6	-168.7	72.5	0	0	0	109.3	I730 V733 F740 L747 V750 A751 F759 T761	L549-I730 HydrophobicContact CD2-CG1 4.21Å; L549-I730 HydrophobicContact CD2-CG2 4.27Å; L549-V733 HydrophobicContact CD2-CB 4.4Å; L549-V733 HydrophobicContact CD2-CG1 4.49Å; L549-V733 HydrophobicContact CD2-CG2 4.44Å; L549-V733 HydrophobicContact CG-CG1 4.36Å; L549-F740 PolarHBondContact N-O 2.04Å; L549-F740 PolarHBondContact O-N 3.48Å; L549-L747 HydrophobicContact CB-CD1 4.01Å; L549-L747 HydrophobicContact CB-CD2 3.82Å; L549-L747 HydrophobicContact CB-CG 4.33Å; L549-L747 HydrophobicContact CD2-CD2 4.24Å; L549-L747 HydrophobicContact CG-CD2 4.45Å; L549-V750 HydrophobicContact CD2-CG1 4.14Å; L549-A751 HydrophobicContact CD1-CB 4.16Å; L549-F759 HydrophobicContact CD1-CB 3.7Å; L549-F759 HydrophobicContact CD1-CD1 4.34Å; L549-F759 HydrophobicContact CD1-CG 3.97Å; L549-F759 HydrophobicContact CD2-CD1 4.13Å; L549-F759 HydrophobicContact CD2-CE1 4.29Å; L549-F759 HydrophobicContact CD2-CG 4.31Å; L549-F759 HydrophobicContact CG-CB 4.32Å; L549-F759 HydrophobicContact CG-CD1 4.07Å; L549-F759 HydrophobicContact CG-CG 4.2Å; L549-T761 HydrophobicContact CD1-CG2 3.79Å
550	L	90.3	Very high	80.1	Confident	4 Å²	4	63.7 Å²	63.7	2%	0.021	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	142.1	-177.5	-62.7	172.2	0	0	0	109.4	V548 I666 L678 F759 Y760 V762	V548-L550 HydrophobicContact CG1-CD2 4.06Å; V548-L550 HydrophobicContact CG1-CG 4.18Å; L550-I666 HydrophobicContact CD1-CB 3.98Å; L550-I666 HydrophobicContact CD1-CD1 4.24Å; L550-I666 HydrophobicContact CD1-CG2 3.8Å; L550-L678 HydrophobicContact CD2-CD2 3.57Å; L550-F759 CarbonylContact O-C 3.54Å; L550-F759 VanDerWaalsContact O-CA 3.31Å; L550-F759 WeakPolarHBondContact O-CA 3.35Å; L550-Y760 HydrophobicContact CB-CD1 3.96Å; L550-Y760 HydrophobicContact CB-CE1 3.51Å; L550-Y760 HydrophobicContact CB-CE2 4.13Å; L550-Y760 HydrophobicContact CB-CG 4.46Å; L550-Y760 HydrophobicContact CD1-CE1 4.46Å; L550-Y760 HydrophobicContact CD1-CE2 3.79Å; L550-Y760 PolarHBondContact N-O 2.87Å; L550-Y760 WeakPolarHBondContact O-CD1 3.21Å; L550-Y760 PolarHBondContact O-N 2.8Å; L550-V762 HydrophobicContact CD1-CG2 4.2Å
551	R	86.9	Confident	79.2	Confident	109 Å²	109	58.7 Å²	58.7	41%	0.411	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	131.6	170.7	179.4	170.6	166.6	163.6	-5.2	109.3	E554 V733 K734	R551-E554 IonicContact CZ-OE1 3.5Å; R551-E554 IonicContact NE-OE1 3.65Å; R551-E554 IonicContact NH2-OE1 2.68Å; R551-E554 PolarHBondContact NH2-OE1 3.25Å; R551-V733 HydrophobicContact CB-CG1 4.33Å; R551-K734 PolarHBondContact NH1-O 2.98Å
552	K	81	Confident	78.5	Confident	71 Å²	71	59.7 Å²	59.7	31%	0.309	31%	0.305	S	S	.	.	P	Polyproline II helix	trans	-59.2	142.7	174.3	-71.8	172.7	171	125.7	0	109.8	E554 C757 S758 F759 Y760	K552-E554 PolarHBondContact O-N 3.28Å; K552-C757 WeakPolarHBondContact CD-O 3.42Å; K552-C757 PolarHBondContact NZ-O 3.16Å; K552-S758 WeakPolarHBondContact CB-O 3.47Å; K552-S758 PolarHBondContact N-O 2.85Å; K552-F759 WeakPolarHBondContact CE-O 3.39Å; K552-F759 PolarHBondContact NZ-O 2.93Å; K552-Y760 HydrophobicContact CB-CD1 4.38Å; K552-Y760 HydrophobicContact CG-CD1 3.73Å; K552-Y760 HydrophobicContact CG-CG 4.38Å
553	A	68.9	Low	78	Confident	63 Å²	63	63 Å²	63	52%	0.521	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-68	132.2	174.8	0	0	0	0	0	110.6
554	E	64	Low	77.5	Confident	138 Å²	138	61.6 Å²	61.6	65%	0.645	32%	0.323	S	S	*	.	P	Polyproline II helix	trans	-67.9	138.6	172.2	-78	164.4	-148.1	0	0	110.4	R551 K552 T556	R551-E554 IonicContact CZ-OE1 3.5Å; R551-E554 IonicContact NE-OE1 3.65Å; R551-E554 IonicContact NH2-OE1 2.68Å; R551-E554 PolarHBondContact NH2-OE1 3.25Å; K552-E554 PolarHBondContact O-N 3.28Å; E554-T556 PolarHBondContact O-N 3.21Å
555	R	60.3	Low	77.4	Confident	174 Å²	174	62.1 Å²	62.1	66%	0.657	33%	0.327	S	S	*	.			trans	-70.5	94.5	178.1	-72.6	178.7	173.8	165.6	-3.2	110.3	V557	R555-V557 PolarHBondContact O-N 2.93Å; R555-V557 VanDerWaalsContact O-N 3.16Å
556	T	57.7	Low	77.4	Confident	124 Å²	124	61.9 Å²	61.9	76%	0.761	32%	0.322	S	S	*	.			trans	-68.7	105.8	169.1	50.3	0	0	0	0	109.9	E554 D558	E554-T556 PolarHBondContact O-N 3.21Å; T556-D558 PolarHBondContact O-N 2.72Å
557	V	61	Low	77.4	Confident	75 Å²	75	67.7 Å²	67.7	46%	0.455	35%	0.353	S	S	.	.			trans	-83.4	105.5	176.7	-176.5	0	0	0	0	109.3	R555 M559 H830	R555-V557 PolarHBondContact O-N 2.93Å; R555-V557 VanDerWaalsContact O-N 3.16Å; V557-M559 PolarHBondContact O-N 3.1Å; V557-M559 VanDerWaalsContact O-N 3.14Å; V557-H830 HydrophobicContact CG1-CB 4.09Å
558	D	65.7	Low	77.3	Confident	112 Å²	112	74.9 Å²	74.9	60%	0.599	39%	0.39	S	S	*	.			trans	-67.2	110.2	175.8	-82.5	-41.1	0	0	0	111.2	T556 F560 A561	T556-D558 PolarHBondContact O-N 2.72Å; D558-F560 PolarHBondContact O-N 2.73Å; D558-A561 WeakPolarHBondContact O-CB 3.37Å; D558-A561 PolarHBondContact O-N 3.31Å
559	M	67.7	Low	77.2	Confident	90 Å²	90	79.2 Å²	79.2	44%	0.443	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-22.6	-179	-171.6	172.4	69.6	0	0	113.6	V557 A833 G834	V557-M559 PolarHBondContact O-N 3.1Å; V557-M559 VanDerWaalsContact O-N 3.14Å; M559-A833 HydrophobicContact CG-CB 4Å; M559-G834 WeakPolarHBondContact O-CA 3.36Å; M559-G834 PolarHBondContact O-N 2.95Å
560	F	74.1	Confident	77.2	Confident	107 Å²	107	83 Å²	83	47%	0.469	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-108.1	24.9	178.2	-63.7	-70.6	0	0	0	113.9	D558 C562 L563	D558-F560 PolarHBondContact O-N 2.73Å; F560-C562 PolarHBondContact O-N 2.03Å; F560-L563 HydrophobicContact CD1-CD1 4.47Å; F560-L563 PolarHBondContact O-N 3.26Å
561	A	73.6	Confident	77.2	Confident	12 Å²	12	86.4 Å²	86.4	10%	0.099	45%	0.453	C	S	.	.	T	Hydrogen-bonded Turn	trans	-49.8	-26.2	178	0	0	0	0	0	114.6	D558 L563 A564 F656	D558-A561 WeakPolarHBondContact O-CB 3.37Å; D558-A561 PolarHBondContact O-N 3.31Å; A561-L563 VanDerWaalsContact C-N 3.28Å; A561-L563 PolarHBondContact O-N 3.4Å; A561-A564 WeakPolarHBondContact O-CB 3.39Å; A561-A564 PolarHBondContact O-N 3.15Å; A561-F656 HydrophobicContact CB-CE1 4.11Å
562	C	76.6	Confident	77.4	Confident	27 Å²	27	84.3 Å²	84.3	18%	0.182	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-21.8	173.9	60	0	0	0	0	114.9	F560 P565 Y649 V835	F560-C562 PolarHBondContact O-N 2.03Å; C562-P565 WeakPolarHBondContact O-CD 3.42Å; C562-Y649 WeakPolarHBondContact O-CE2 3.18Å; C562-Y649 PolarHBondContact O-OH 2.56Å; C562-V835 HydrophobicContact CB-CG2 4.02Å
563	L	81.6	Confident	77.9	Confident	91 Å²	91	84.9 Å²	84.9	48%	0.476	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-20.8	177.8	-65.5	176.9	0	0	0	113.1	F560 A561 W571	F560-L563 HydrophobicContact CD1-CD1 4.47Å; F560-L563 PolarHBondContact O-N 3.26Å; A561-L563 VanDerWaalsContact C-N 3.28Å; A561-L563 PolarHBondContact O-N 3.4Å; L563-W571 HydrophobicContact CD2-CZ2 4.3Å; L563-W571 PolarHBondContact O-NE1 3.15Å; L563-W571 VanDerWaalsContact O-NE1 3.11Å
564	A	79.6	Confident	78.9	Confident	57 Å²	57	82.3 Å²	82.3	47%	0.471	45%	0.449	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-22.9	-178.9	0	0	0	0	0	117.4	A561 F566 F656	A561-A564 WeakPolarHBondContact O-CB 3.39Å; A561-A564 PolarHBondContact O-N 3.15Å; A564-F566 PolarHBondContact O-N 3.38Å; A564-F656 HydrophobicContact CB-CE2 4.48Å; A564-F656 HydrophobicContact CB-CZ 4.24Å
565	P	85.4	Confident	80.1	Confident	13 Å²	13	78.2 Å²	78.2	8%	0.084	44%	0.439	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-14.4	-180	-27.6	36.6	0	0	0	116	C562 Y649 N652 L653	C562-P565 WeakPolarHBondContact O-CD 3.42Å; P565-Y649 HydrophobicContact CB-CD2 3.96Å; P565-Y649 HydrophobicContact CB-CE2 4.06Å; P565-Y649 HydrophobicContact CG-CD2 4.3Å; P565-Y649 HydrophobicContact CG-CE2 3.91Å; P565-N652 HydrophobicContact CB-CB 3.84Å; P565-N652 PolarHBondContact O-ND2 3.18Å; P565-L653 HydrophobicContact CB-CB 4.49Å; P565-L653 HydrophobicContact CG-CB 3.85Å; P565-L653 HydrophobicContact CG-CD1 3.79Å; P565-L653 HydrophobicContact CG-CG 4.39Å
566	F	87.9	Confident	81.6	Confident	24 Å²	24	71.8 Å²	71.8	11%	0.105	43%	0.426	C	S	.	.	S	Bend	trans	-138.9	141.7	176	-69.4	-29.9	0	0	0	111	A564 L570 W571 I574 V645 Y649	A564-F566 PolarHBondContact O-N 3.38Å; F566-L570 HydrophobicContact CB-CB 4.46Å; F566-L570 HydrophobicContact CB-CD2 4.03Å; F566-L570 HydrophobicContact CB-CG 4.46Å; F566-L570 HydrophobicContact CD1-CD2 3.56Å; F566-L570 HydrophobicContact CD2-CD2 4.32Å; F566-L570 HydrophobicContact CE1-CD2 4.05Å; F566-L570 HydrophobicContact CG-CD2 3.74Å; F566-L570 HydrophobicContact CG-CG 4.41Å; F566-W571 HydrophobicContact CB-CZ2 4.47Å; F566-W571 HydrophobicContact CD2-CH2 4.37Å; F566-W571 HydrophobicContact CD2-CZ2 4.1Å; F566-W571 VanDerWaalsContact O-CD1 3.31Å; F566-W571 PolarHBondContact O-NE1 3.34Å; F566-I574 HydrophobicContact CD2-CD1 4.1Å; F566-I574 HydrophobicContact CE2-CD1 4.13Å; F566-V645 HydrophobicContact CE2-CG1 3.96Å; F566-V645 HydrophobicContact CZ-CG1 4.32Å; F566-V645 WeakPolarHBondContact CZ-O 3.31Å; F566-Y649 HydrophobicContact CD2-CD2 4.18Å; F566-Y649 HydrophobicContact CE2-CD2 4.12Å; F566-Y649 HydrophobicContact CE2-CG 4.36Å
567	D	88.8	Confident	83.1	Confident	127 Å²	127	68.1 Å²	68.1	68%	0.679	40%	0.404	S	S	*	.			trans	-60.6	149.9	172.8	-74.6	-56.3	0	0	0	113	S569 L570 W571	D567-S569 PolarHBondContact O-N 2.65Å; D567-S569 VanDerWaalsContact O-N 3.14Å; D567-L570 WeakPolarHBondContact O-CA 3.34Å; D567-L570 WeakPolarHBondContact O-CB 3.21Å; D567-L570 PolarHBondContact O-N 2.61Å; D567-W571 PolarHBondContact O-N 2.95Å
568	L	87.6	Confident	84.5	Confident	152 Å²	152	65.5 Å²	65.5	80%	0.796	39%	0.388	S	S	*	.	H	α-helix	trans	-52.1	-35.4	171.9	-75.6	162.2	0	0	0	112.8	W571 A572	L568-W571 PolarHBondContact O-N 3.21Å; L568-A572 WeakPolarHBondContact O-CB 3.38Å; L568-A572 PolarHBondContact O-N 3.39Å
569	S	91.1	Very high	85.6	Confident	94 Å²	94	64.7 Å²	64.7	66%	0.657	38%	0.383	S	S	*	.	H	α-helix	trans	-62.1	-41.6	173.9	-55.8	0	0	0	0	112.5	D567 A572 C573	D567-S569 PolarHBondContact O-N 2.65Å; D567-S569 VanDerWaalsContact O-N 3.14Å; S569-A572 PolarHBondContact O-N 2.97Å; S569-C573 PolarHBondContact O-N 3.39Å; S569-C573 PolarHBondContact O-SG 3.47Å; S569-C573 VanDerWaalsContact O-SG 3.35Å
570	L	91.2	Very high	86.6	Confident	78 Å²	78	65.4 Å²	65.4	41%	0.408	39%	0.388	S	S	.	.	H	α-helix	trans	-72.9	-39	178.8	-177.3	57.5	0	0	0	111.1	F566 D567 A572 C573 I574	F566-L570 HydrophobicContact CB-CB 4.46Å; F566-L570 HydrophobicContact CB-CD2 4.03Å; F566-L570 HydrophobicContact CB-CG 4.46Å; F566-L570 HydrophobicContact CD1-CD2 3.56Å; F566-L570 HydrophobicContact CD2-CD2 4.32Å; F566-L570 HydrophobicContact CE1-CD2 4.05Å; F566-L570 HydrophobicContact CG-CD2 3.74Å; F566-L570 HydrophobicContact CG-CG 4.41Å; D567-L570 WeakPolarHBondContact O-CA 3.34Å; D567-L570 WeakPolarHBondContact O-CB 3.21Å; D567-L570 PolarHBondContact O-N 2.61Å; L570-A572 VanDerWaalsContact C-N 3.32Å; L570-A572 PolarHBondContact O-N 2.88Å; L570-C573 WeakPolarHBondContact O-CB 3.25Å; L570-C573 PolarHBondContact O-N 3.05Å; L570-I574 HydrophobicContact CG-CD1 4.16Å; L570-I574 VanDerWaalsContact O-CG1 3.32Å; L570-I574 WeakPolarHBondContact O-CG1 3.34Å; L570-I574 PolarHBondContact O-N 2.88Å
571	W	91.2	Very high	87.3	Confident	76 Å²	76	61.6 Å²	61.6	29%	0.288	37%	0.372	S	S	.	.	H	α-helix	trans	-57.7	-43	170.2	-75.7	114.5	0	0	0	112.2	L563 F566 D567 L568 I574 A575 Y649	L563-W571 HydrophobicContact CD2-CZ2 4.3Å; L563-W571 PolarHBondContact O-NE1 3.15Å; L563-W571 VanDerWaalsContact O-NE1 3.11Å; F566-W571 HydrophobicContact CB-CZ2 4.47Å; F566-W571 HydrophobicContact CD2-CH2 4.37Å; F566-W571 HydrophobicContact CD2-CZ2 4.1Å; F566-W571 VanDerWaalsContact O-CD1 3.31Å; F566-W571 PolarHBondContact O-NE1 3.34Å; D567-W571 PolarHBondContact O-N 2.95Å; L568-W571 PolarHBondContact O-N 3.21Å; W571-I574 HydrophobicContact CE3-CD1 4.43Å; W571-I574 PolarHBondContact O-N 2.65Å; W571-A575 PolarHBondContact O-N 2.98Å; W571-Y649 HydrophobicContact CH2-CD2 4.33Å; W571-Y649 HydrophobicContact CH2-CE2 4.21Å; W571-Y649 HydrophobicContact CZ2-CD2 4.26Å; W571-Y649 HydrophobicContact CZ2-CE2 4.03Å
572	A	89.7	Confident	87.9	Confident	65 Å²	65	61 Å²	61	54%	0.537	37%	0.368	S	S	.	.	H	α-helix	trans	-64.2	-40.6	174.9	0	0	0	0	0	112.3	L568 S569 L570 A575 G576	L568-A572 WeakPolarHBondContact O-CB 3.38Å; L568-A572 PolarHBondContact O-N 3.39Å; S569-A572 PolarHBondContact O-N 2.97Å; L570-A572 VanDerWaalsContact C-N 3.32Å; L570-A572 PolarHBondContact O-N 2.88Å; A572-A575 PolarHBondContact O-N 3.4Å; A572-G576 PolarHBondContact O-N 3.2Å
573	C	91.7	Very high	88.4	Confident	83 Å²	83	63.5 Å²	63.5	56%	0.561	38%	0.378	S	S	*	.	H	α-helix	trans	-62.3	-43.5	172.9	-71.6	0	0	0	0	112.4	S569 L570 G576 T577	S569-C573 PolarHBondContact O-N 3.39Å; S569-C573 PolarHBondContact O-SG 3.47Å; S569-C573 VanDerWaalsContact O-SG 3.35Å; L570-C573 WeakPolarHBondContact O-CB 3.25Å; L570-C573 PolarHBondContact O-N 3.05Å; C573-G576 PolarHBondContact O-N 3.27Å; C573-T577 WeakPolarHBondContact O-CG2 3.45Å; C573-T577 PolarHBondContact O-N 3.07Å; C573-T577 PolarHBondContact O-OG1 3.46Å
574	I	91.2	Very high	88.5	Confident	9 Å²	9	62.4 Å²	62.4	5%	0.046	37%	0.372	C	S	.	.	H	α-helix	trans	-61	-48.1	176.6	-69.8	163.1	0	0	0	110.6	F566 L570 W571 G576 T577 V578 F617 V645	F566-I574 HydrophobicContact CD2-CD1 4.1Å; F566-I574 HydrophobicContact CE2-CD1 4.13Å; L570-I574 HydrophobicContact CG-CD1 4.16Å; L570-I574 VanDerWaalsContact O-CG1 3.32Å; L570-I574 WeakPolarHBondContact O-CG1 3.34Å; L570-I574 PolarHBondContact O-N 2.88Å; W571-I574 HydrophobicContact CE3-CD1 4.43Å; W571-I574 PolarHBondContact O-N 2.65Å; I574-G576 VanDerWaalsContact C-N 3.29Å; I574-G576 PolarHBondContact O-N 3.14Å; I574-T577 PolarHBondContact O-N 3.5Å; I574-T577 PolarHBondContact O-OG1 3.34Å; I574-V578 WeakPolarHBondContact O-CG2 3.1Å; I574-V578 PolarHBondContact O-N 3.1Å; I574-F617 HydrophobicContact CG2-CE1 4.11Å; I574-F617 HydrophobicContact CG2-CE2 3.99Å; I574-F617 HydrophobicContact CG2-CZ 3.51Å; I574-V645 HydrophobicContact CD1-CG1 3.79Å; I574-V645 HydrophobicContact CG1-CG1 4.36Å
575	A	89.2	Confident	88.6	Confident	53 Å²	53	59.9 Å²	59.9	44%	0.438	35%	0.351	S	S	.	.	H	α-helix	trans	-59.7	-40.5	175.7	0	0	0	0	0	112	W571 A572 V578 L579	W571-A575 PolarHBondContact O-N 2.98Å; A572-A575 PolarHBondContact O-N 3.4Å; A575-V578 PolarHBondContact O-N 3.43Å; A575-L579 WeakPolarHBondContact O-CG 3.4Å; A575-L579 PolarHBondContact O-N 2.85Å; A575-L579 VanDerWaalsContact O-N 3.14Å
576	G	90.8	Very high	88.3	Confident	38 Å²	38	62.9 Å²	62.9	39%	0.392	36%	0.361	S	S	.	.	H	α-helix	trans	-61.3	-42.5	174.1	0	0	0	0	0	113.6	A572 C573 I574 L579 L580	A572-G576 PolarHBondContact O-N 3.2Å; C573-G576 PolarHBondContact O-N 3.27Å; I574-G576 VanDerWaalsContact C-N 3.29Å; I574-G576 PolarHBondContact O-N 3.14Å; G576-L579 PolarHBondContact O-N 3.23Å; G576-L580 VanDerWaalsContact O-CB 3.3Å; G576-L580 WeakPolarHBondContact O-CB 3.46Å; G576-L580 PolarHBondContact O-N 2.98Å
577	T	89.8	Confident	87.9	Confident	48 Å²	48	65 Å²	65	29%	0.294	37%	0.373	S	S	.	.	H	α-helix	trans	-70.6	-38.1	178.2	58.3	0	0	0	0	112.5	C573 I574 L579 L580 I581 F641	C573-T577 WeakPolarHBondContact O-CG2 3.45Å; C573-T577 PolarHBondContact O-N 3.07Å; C573-T577 PolarHBondContact O-OG1 3.46Å; I574-T577 PolarHBondContact O-N 3.5Å; I574-T577 PolarHBondContact O-OG1 3.34Å; T577-L579 VanDerWaalsContact C-N 3.33Å; T577-L579 PolarHBondContact O-N 2.86Å; T577-L580 PolarHBondContact O-N 2.67Å; T577-I581 WeakPolarHBondContact O-CB 3.25Å; T577-I581 WeakPolarHBondContact O-CG1 3.29Å; T577-I581 PolarHBondContact O-N 2.84Å; T577-F641 HydrophobicContact CG2-CZ 4.48Å
578	V	89.6	Confident	87.3	Confident	20 Å²	20	60.8 Å²	60.8	12%	0.121	35%	0.351	C	S	.	.	H	α-helix	trans	-57	-47.1	172.6	173.4	0	0	0	0	110.7	I574 A575 G582 V613 F617 W638	I574-V578 WeakPolarHBondContact O-CG2 3.1Å; I574-V578 PolarHBondContact O-N 3.1Å; A575-V578 PolarHBondContact O-N 3.43Å; V578-G582 PolarHBondContact O-N 3.04Å; V578-V613 HydrophobicContact CG1-CG1 4.36Å; V578-F617 HydrophobicContact CG2-CG 4.45Å; V578-W638 HydrophobicContact CB-CH2 4.29Å; V578-W638 HydrophobicContact CG2-CH2 3.68Å; V578-W638 HydrophobicContact CG2-CZ2 3.93Å
579	L	89	Confident	86.7	Confident	94 Å²	94	54.3 Å²	54.3	49%	0.492	32%	0.317	S	S	.	.	H	α-helix	trans	-66.3	-45.3	178.3	-69.6	172.1	0	0	0	112.3	A575 G576 T577 G582 I583 M610	A575-L579 WeakPolarHBondContact O-CG 3.4Å; A575-L579 PolarHBondContact O-N 2.85Å; A575-L579 VanDerWaalsContact O-N 3.14Å; G576-L579 PolarHBondContact O-N 3.23Å; T577-L579 VanDerWaalsContact C-N 3.33Å; T577-L579 PolarHBondContact O-N 2.86Å; L579-G582 PolarHBondContact O-N 2.8Å; L579-I583 VanDerWaalsContact O-CG1 3.3Å; L579-I583 WeakPolarHBondContact O-CG1 3.48Å; L579-I583 PolarHBondContact O-N 3.16Å; L579-M610 HydrophobicContact CD2-CE 4.29Å
580	L	89.9	Confident	85.7	Confident	105 Å²	105	57.7 Å²	57.7	55%	0.55	32%	0.316	S	S	.	.	H	α-helix	trans	-62.3	-45.3	180	-177.4	150.3	0	0	0	111.7	G576 T577 I583 L584	G576-L580 VanDerWaalsContact O-CB 3.3Å; G576-L580 WeakPolarHBondContact O-CB 3.46Å; G576-L580 PolarHBondContact O-N 2.98Å; T577-L580 PolarHBondContact O-N 2.67Å; L580-I583 PolarHBondContact O-N 3.08Å; L580-L584 WeakPolarHBondContact O-CB 3.48Å; L580-L584 PolarHBondContact O-N 3.09Å
581	I	88.6	Confident	84.7	Confident	28 Å²	28	59.1 Å²	59.1	14%	0.144	32%	0.323	C	S	.	.	H	α-helix	trans	-70.4	-36.4	177.8	-63.2	-64.9	0	0	0	110.9	T577 I583 L584 V585 V613 W638	T577-I581 WeakPolarHBondContact O-CB 3.25Å; T577-I581 WeakPolarHBondContact O-CG1 3.29Å; T577-I581 PolarHBondContact O-N 2.84Å; I581-I583 PolarHBondContact O-N 2.94Å; I581-L584 HydrophobicContact CD1-CD2 4.45Å; I581-L584 PolarHBondContact O-N 2.77Å; I581-V585 HydrophobicContact CG2-CG2 4.23Å; I581-V585 WeakPolarHBondContact O-CB 3.47Å; I581-V585 VanDerWaalsContact O-CG2 3.31Å; I581-V585 WeakPolarHBondContact O-CG2 3.22Å; I581-V585 PolarHBondContact O-N 2.78Å; I581-V613 HydrophobicContact CB-CG1 4.13Å; I581-V613 HydrophobicContact CG2-CG1 3.91Å; I581-V613 HydrophobicContact CG2-CG2 4.1Å; I581-W638 HydrophobicContact CB-CD2 4.48Å; I581-W638 HydrophobicContact CB-CE3 4.13Å; I581-W638 HydrophobicContact CB-CZ3 4.28Å; I581-W638 HydrophobicContact CG1-CE3 3.74Å; I581-W638 HydrophobicContact CG1-CZ3 3.88Å; I581-W638 HydrophobicContact CG2-CD2 4.01Å; I581-W638 HydrophobicContact CG2-CE3 4.09Å; I581-W638 HydrophobicContact CG2-CG 4.2Å
582	G	86.1	Confident	83.4	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-57.8	-43.8	171.4	0	0	0	0	0	113.3	V578 L579 Y586	V578-G582 PolarHBondContact O-N 3.04Å; L579-G582 PolarHBondContact O-N 2.8Å; G582-Y586 WeakPolarHBondContact O-CB 3.47Å; G582-Y586 PolarHBondContact O-N 3.15Å; G582-Y586 VanDerWaalsContact O-N 3.1Å
583	I	85.9	Confident	82.2	Confident	78 Å²	78	61.1 Å²	61.1	40%	0.4	34%	0.335	S	S	.	.	H	α-helix	trans	-67.2	-40	174.9	-67.4	164.8	0	0	0	111.1	L579 L580 I581 Y586 L587 L606 M610	L579-I583 VanDerWaalsContact O-CG1 3.3Å; L579-I583 WeakPolarHBondContact O-CG1 3.48Å; L579-I583 PolarHBondContact O-N 3.16Å; L580-I583 PolarHBondContact O-N 3.08Å; I581-I583 PolarHBondContact O-N 2.94Å; I583-Y586 PolarHBondContact O-N 2.99Å; I583-L587 HydrophobicContact CG2-CD1 4Å; I583-L587 WeakPolarHBondContact O-CB 3.36Å; I583-L587 WeakPolarHBondContact O-CG 3.41Å; I583-L587 PolarHBondContact O-N 3Å; I583-L606 HydrophobicContact CG1-CD1 4.42Å; I583-M610 HydrophobicContact CD1-CE 4.17Å; I583-M610 HydrophobicContact CG1-CE 3.6Å
584	L	84.4	Confident	80.6	Confident	68 Å²	68	59 Å²	59	36%	0.356	32%	0.32	S	S	.	.	H	α-helix	trans	-71.1	-38.1	-179	-167.8	59.6	0	0	0	112.5	L580 I581 L587 L588 M634	L580-L584 WeakPolarHBondContact O-CB 3.48Å; L580-L584 PolarHBondContact O-N 3.09Å; I581-L584 HydrophobicContact CD1-CD2 4.45Å; I581-L584 PolarHBondContact O-N 2.77Å; L584-L587 PolarHBondContact O-N 3Å; L584-L588 WeakPolarHBondContact O-CG 3.48Å; L584-L588 PolarHBondContact O-N 3.08Å; L584-M634 HydrophobicContact CB-CE 4.3Å; L584-M634 HydrophobicContact CB-SD 4.36Å; L584-M634 HydrophobicContact CD2-CE 4.42Å; L584-M634 HydrophobicContact CD2-SD 3.45Å; L584-M634 WeakPolarHBondContact CD2-SD 3.38Å; L584-M634 HydrophobicContact CG-CE 4.07Å; L584-M634 HydrophobicContact CG-SD 3.6Å; L584-M634 VanDerWaalsContact CG-SD 3.6Å
585	V	80.8	Confident	78.8	Confident	4 Å²	4	70.2 Å²	70.2	2%	0.024	36%	0.362	C	S	.	.	H	α-helix	trans	-61.1	-46.2	170	169.8	0	0	0	0	110.3	I581 L587 L588 N589 V613 M634 M635	I581-V585 HydrophobicContact CG2-CG2 4.23Å; I581-V585 WeakPolarHBondContact O-CB 3.47Å; I581-V585 VanDerWaalsContact O-CG2 3.31Å; I581-V585 WeakPolarHBondContact O-CG2 3.22Å; I581-V585 PolarHBondContact O-N 2.78Å; V585-L587 PolarHBondContact O-N 2.73Å; V585-L588 PolarHBondContact O-N 3.12Å; V585-N589 WeakPolarHBondContact CG1-ND2 3.47Å; V585-N589 WeakPolarHBondContact O-CB 3.44Å; V585-N589 PolarHBondContact O-N 2.77Å; V585-N589 PolarHBondContact O-ND2 3.36Å; V585-V613 HydrophobicContact CB-CG2 4.34Å; V585-V613 HydrophobicContact CG2-CG2 3.85Å; V585-M634 HydrophobicContact CB-CE 4.23Å; V585-M634 HydrophobicContact CG2-CE 3.39Å; V585-M635 HydrophobicContact CG2-SD 3.89Å
586	Y	80.2	Confident	77.2	Confident	76 Å²	76	71.4 Å²	71.4	30%	0.298	36%	0.361	S	S	.	.	H	α-helix	trans	-59.1	-46.5	175.5	171.8	-101.4	0	0	0	112	G582 I583 N589 W590 T604 L606	G582-Y586 WeakPolarHBondContact O-CB 3.47Å; G582-Y586 PolarHBondContact O-N 3.15Å; G582-Y586 VanDerWaalsContact O-N 3.1Å; I583-Y586 PolarHBondContact O-N 2.99Å; Y586-N589 PolarHBondContact O-N 3.36Å; Y586-W590 VanDerWaalsContact O-CB 3.28Å; Y586-W590 WeakPolarHBondContact O-CB 3.32Å; Y586-W590 PolarHBondContact O-N 2.94Å; Y586-T604 WeakPolarHBondContact CE2-O 3.47Å; Y586-L606 HydrophobicContact CD1-CD1 3.69Å; Y586-L606 HydrophobicContact CD2-CB 4.15Å; Y586-L606 HydrophobicContact CD2-CD1 4.21Å; Y586-L606 HydrophobicContact CE1-CD1 4.32Å; Y586-L606 HydrophobicContact CE2-CB 4.26Å; Y586-L606 HydrophobicContact CG-CB 4.41Å; Y586-L606 HydrophobicContact CG-CD1 3.62Å
587	L	78.8	Confident	75.1	Confident	68 Å²	68	75 Å²	75	36%	0.356	38%	0.377	S	S	.	.	H	α-helix	trans	-60.9	-45.7	177.1	-80.9	165.6	0	0	0	112.7	I583 L584 V585 N589 W590 L591	I583-L587 HydrophobicContact CG2-CD1 4Å; I583-L587 WeakPolarHBondContact O-CB 3.36Å; I583-L587 WeakPolarHBondContact O-CG 3.41Å; I583-L587 PolarHBondContact O-N 3Å; L584-L587 PolarHBondContact O-N 3Å; V585-L587 PolarHBondContact O-N 2.73Å; L587-N589 PolarHBondContact O-N 2.97Å; L587-W590 HydrophobicContact CD2-CE3 4.28Å; L587-W590 PolarHBondContact O-N 2.79Å; L587-L591 WeakPolarHBondContact O-CB 3.22Å; L587-L591 VanDerWaalsContact O-CG 3.25Å; L587-L591 WeakPolarHBondContact O-CG 3.43Å; L587-L591 PolarHBondContact O-N 2.9Å
588	L	77.5	Confident	72.7	Confident	39 Å²	39	82.4 Å²	82.4	20%	0.204	41%	0.411	C	S	.	.	H	α-helix	trans	-64.5	-39.9	177.6	-71.5	-177.5	0	0	0	112.3	L584 V585 W590 N592 M634	L584-L588 WeakPolarHBondContact O-CG 3.48Å; L584-L588 PolarHBondContact O-N 3.08Å; V585-L588 PolarHBondContact O-N 3.12Å; L588-W590 VanDerWaalsContact C-N 3.34Å; L588-N592 PolarHBondContact O-N 2.88Å; L588-M634 HydrophobicContact CD1-CE 3.71Å; L588-M634 HydrophobicContact CD1-SD 3.7Å
589	N	73.2	Confident	70.8	Confident	17 Å²	17	85 Å²	85	9%	0.091	44%	0.442	C	S	.	.	H	α-helix	trans	-72.4	-26.1	177.7	-67.7	-16.3	0	0	0	112.8	V585 Y586 L587 T604	V585-N589 WeakPolarHBondContact CG1-ND2 3.47Å; V585-N589 WeakPolarHBondContact O-CB 3.44Å; V585-N589 PolarHBondContact O-N 2.77Å; V585-N589 PolarHBondContact O-ND2 3.36Å; Y586-N589 PolarHBondContact O-N 3.36Å; L587-N589 PolarHBondContact O-N 2.97Å; N589-T604 HydrophobicContact CB-CG2 4.25Å
590	W	71	Confident	68.8	Low	165 Å²	165	84.8 Å²	84.8	63%	0.625	45%	0.448	S	S	*	.	H	α-helix	trans	-77.1	-42.6	172.8	177.6	66.1	0	0	0	112.1	Y586 L587 L588	Y586-W590 VanDerWaalsContact O-CB 3.28Å; Y586-W590 WeakPolarHBondContact O-CB 3.32Å; Y586-W590 PolarHBondContact O-N 2.94Å; L587-W590 HydrophobicContact CD2-CE3 4.28Å; L587-W590 PolarHBondContact O-N 2.79Å; L588-W590 VanDerWaalsContact C-N 3.34Å
591	L	69.7	Low	66.8	Low	108 Å²	108	85.9 Å²	85.9	57%	0.565	46%	0.459	S	S	*	.	H	α-helix	trans	-70.7	-30.7	177.5	-70.6	167.9	0	0	0	112.9	L587	L587-L591 WeakPolarHBondContact O-CB 3.22Å; L587-L591 VanDerWaalsContact O-CG 3.25Å; L587-L591 WeakPolarHBondContact O-CG 3.43Å; L587-L591 PolarHBondContact O-N 2.9Å
592	N	64.6	Low	65.2	Low	88 Å²	88	87 Å²	87	47%	0.471	47%	0.47	S	S	.	.	S	Bend	trans	-127.6	75.4	179.2	-66.3	-86.7	0	0	0	110.8	L588 T628	L588-N592 PolarHBondContact O-N 2.88Å; N592-T628 HydrophobicContact CB-CG2 3.78Å
593	P	63.3	Low	63.6	Low	94 Å²	94	89.9 Å²	89.9	61%	0.61	49%	0.489	S	S	*	.			trans	-62.3	135.9	-176.6	24.2	-33.8	0	0	0	112	R595	P593-R595 PolarHBondContact O-N 3.14Å
594	P	58.9	Low	62.6	Low	38 Å²	38	88.8 Å²	88.8	25%	0.247	49%	0.486	C	S	.	.			trans	-67.5	121.5	-176.5	27.1	-35	0	0	0	112	L596 T627	P594-L596 VanDerWaalsContact C-N 3.29Å; P594-L596 HydrophobicContact CB-CD1 4.27Å; P594-L596 HydrophobicContact CB-CG 4.31Å; P594-L596 HydrophobicContact CG-CD1 4.46Å; P594-L596 PolarHBondContact O-N 3.47Å; P594-T627 HydrophobicContact CB-CG2 3.44Å; P594-T627 VanDerWaalsContact CB-CG2 3.44Å
595	R	54.2	Low	61.9	Low	246 Å²	246	88.1 Å²	88.1	93%	0.928	49%	0.485	S	S	*	.			trans	-75.8	78.1	172.2	-68	-175.8	-177.8	168.1	1.2	110.9	P593	P593-R595 PolarHBondContact O-N 3.14Å
596	L	55.7	Low	61.7	Low	77 Å²	77	91.5 Å²	91.5	40%	0.403	50%	0.503	S	S	.	.	P	Polyproline II helix	trans	-93.9	149.4	172.5	-69.4	165.4	0	0	0	110.9	P594 P625	P594-L596 VanDerWaalsContact C-N 3.29Å; P594-L596 HydrophobicContact CB-CD1 4.27Å; P594-L596 HydrophobicContact CB-CG 4.31Å; P594-L596 HydrophobicContact CG-CD1 4.46Å; P594-L596 PolarHBondContact O-N 3.47Å; L596-P625 HydrophobicContact CD1-CG 3.93Å
597	P	45.9	Very low	61.7	Low	115 Å²	115	95.4 Å²	95.4	75%	0.747	52%	0.518	S	S	*	.	P	Polyproline II helix	trans	-59.9	153.4	169.2	-21.8	33.9	0	0	0	112.1	G599	P597-G599 PolarHBondContact O-N 2.96Å
598	M	39.8	Very low	61.7	Low	202 Å²	202	95.3 Å²	95.3	100%	0.995	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	126.5	179.7	-62.4	-172.5	-170.5	0	0	111.4
599	G	49.2	Very low	61.8	Low	75 Å²	75	93.8 Å²	93.8	77%	0.773	51%	0.511	S	S	*	.	T	Hydrogen-bonded Turn	trans	146.7	-44.5	171.9	0	0	0	0	0	113.9	P597 V601	P597-G599 PolarHBondContact O-N 2.96Å; G599-V601 PolarHBondContact O-N 2.96Å
600	S	47.7	Very low	62.2	Low	89 Å²	89	95.4 Å²	95.4	62%	0.622	52%	0.518	S	S	*	.			trans	-94.2	94.3	-177.9	-172.8	0	0	0	0	112	S602	S600-S602 PolarHBondContact O-N 3.3Å; S600-S602 VanDerWaalsContact O-N 3.08Å
601	V	48.3	Very low	62.8	Low	129 Å²	129	94.8 Å²	94.8	78%	0.782	52%	0.516	S	S	*	.			trans	-85.1	66.2	174.5	-168.1	0	0	0	0	110.2	G599 S603	G599-V601 PolarHBondContact O-N 2.96Å; V601-S603 PolarHBondContact O-N 3.49Å
602	S	53	Low	63.3	Low	52 Å²	52	90.5 Å²	90.5	36%	0.364	49%	0.493	S	S	.	.			trans	-70	83	158.9	-176.2	0	0	0	0	108	S600 T604	S600-S602 PolarHBondContact O-N 3.3Å; S600-S602 VanDerWaalsContact O-N 3.08Å; S602-T604 PolarHBondContact O-N 3.18Å
603	S	54.4	Low	64.4	Low	59 Å²	59	86.3 Å²	86.3	41%	0.413	47%	0.47	S	S	.	.			trans	-65	118.2	-178	54.3	0	0	0	0	109.6	V601 T605 N608	V601-S603 PolarHBondContact O-N 3.49Å; S603-T605 PolarHBondContact O-N 3.46Å; S603-N608 PolarHBondContact O-ND2 2.92Å
604	T	63.4	Low	65.5	Low	55 Å²	55	87.3 Å²	87.3	34%	0.337	46%	0.463	S	S	.	.			trans	-76.1	56.7	-178.8	42.9	0	0	0	0	111.6	Y586 N589 S602	Y586-T604 WeakPolarHBondContact CE2-O 3.47Å; N589-T604 HydrophobicContact CB-CG2 4.25Å; S602-T604 PolarHBondContact O-N 3.18Å
605	T	70.4	Confident	66.7	Low	55 Å²	55	85.9 Å²	85.9	34%	0.337	46%	0.455	S	S	.	.			trans	-67.5	156.8	174.4	67.1	0	0	0	0	110.8	S603 Y607 N608 S609	S603-T605 PolarHBondContact O-N 3.46Å; T605-Y607 PolarHBondContact O-N 2.81Å; T605-N608 PolarHBondContact O-N 3.31Å; T605-N608 WeakPolarHBondContact OG1-CB 3.4Å; T605-N608 PolarHBondContact OG1-N 3.49Å; T605-N608 PolarHBondContact OG1-ND2 3.33Å; T605-S609 WeakPolarHBondContact O-CB 3.34Å; T605-S609 PolarHBondContact O-N 3.2Å; T605-S609 PolarHBondContact O-OG 3.43Å
606	L	77.3	Confident	68.2	Low	75 Å²	75	74.7 Å²	74.7	39%	0.393	42%	0.415	S	S	.	.	H	α-helix	trans	-56.9	-41.5	171.8	-173.1	71.2	0	0	0	110.8	I583 Y586 S609 M610	I583-L606 HydrophobicContact CG1-CD1 4.42Å; Y586-L606 HydrophobicContact CD1-CD1 3.69Å; Y586-L606 HydrophobicContact CD2-CB 4.15Å; Y586-L606 HydrophobicContact CD2-CD1 4.21Å; Y586-L606 HydrophobicContact CE1-CD1 4.32Å; Y586-L606 HydrophobicContact CE2-CB 4.26Å; Y586-L606 HydrophobicContact CG-CB 4.41Å; Y586-L606 HydrophobicContact CG-CD1 3.62Å; L606-S609 PolarHBondContact O-N 3.26Å; L606-M610 HydrophobicContact CD1-CE 3.95Å; L606-M610 HydrophobicContact CD1-SD 4.47Å; L606-M610 HydrophobicContact CD2-CE 4.12Å; L606-M610 HydrophobicContact CD2-SD 4.38Å; L606-M610 HydrophobicContact CG-CE 3.95Å; L606-M610 HydrophobicContact CG-SD 3.98Å; L606-M610 WeakPolarHBondContact O-CB 3.32Å; L606-M610 WeakPolarHBondContact O-CG 3.4Å; L606-M610 PolarHBondContact O-N 3.3Å
607	Y	80.3	Confident	69.7	Low	157 Å²	157	72.5 Å²	72.5	62%	0.616	40%	0.402	S	S	*	.	H	α-helix	trans	-58.2	-53.8	176.4	177.3	-99.6	0	0	0	112.3	T605 S609 M610 W611	T605-Y607 PolarHBondContact O-N 2.81Å; Y607-S609 PolarHBondContact O-N 2.92Å; Y607-M610 PolarHBondContact O-N 3.27Å; Y607-W611 VanDerWaalsContact O-CB 3.28Å; Y607-W611 WeakPolarHBondContact O-CB 3.42Å; Y607-W611 PolarHBondContact O-N 3.05Å
608	N	78	Confident	71.7	Confident	66 Å²	66	70 Å²	70	35%	0.353	38%	0.384	S	S	.	.	H	α-helix	trans	-61.7	-34.9	179.3	-68.3	-17	0	0	0	111.7	S603 T605 F612	S603-N608 PolarHBondContact O-ND2 2.92Å; T605-N608 PolarHBondContact O-N 3.31Å; T605-N608 WeakPolarHBondContact OG1-CB 3.4Å; T605-N608 PolarHBondContact OG1-N 3.49Å; T605-N608 PolarHBondContact OG1-ND2 3.33Å; N608-F612 VanDerWaalsContact O-CB 3.25Å; N608-F612 WeakPolarHBondContact O-CB 3.45Å; N608-F612 PolarHBondContact O-N 2.99Å
609	S	79.1	Confident	73.7	Confident	7 Å²	7	66.8 Å²	66.8	5%	0.049	37%	0.367	C	S	.	.	H	α-helix	trans	-70.7	-43.6	178.2	-52.9	0	0	0	0	112.3	T605 L606 Y607 V613	T605-S609 WeakPolarHBondContact O-CB 3.34Å; T605-S609 PolarHBondContact O-N 3.2Å; T605-S609 PolarHBondContact O-OG 3.43Å; L606-S609 PolarHBondContact O-N 3.26Å; Y607-S609 PolarHBondContact O-N 2.92Å; S609-V613 WeakPolarHBondContact O-CG2 3.41Å; S609-V613 PolarHBondContact O-N 3.03Å; S609-V613 VanDerWaalsContact O-N 3.12Å
610	M	82.1	Confident	75.1	Confident	52 Å²	52	71 Å²	71	26%	0.256	37%	0.366	S	S	.	.	H	α-helix	trans	-67.8	-44.6	175.5	-74.6	176.7	165.8	0	0	112.2	L579 I583 L606 Y607 F612 V613 Y614	L579-M610 HydrophobicContact CD2-CE 4.29Å; I583-M610 HydrophobicContact CD1-CE 4.17Å; I583-M610 HydrophobicContact CG1-CE 3.6Å; L606-M610 HydrophobicContact CD1-CE 3.95Å; L606-M610 HydrophobicContact CD1-SD 4.47Å; L606-M610 HydrophobicContact CD2-CE 4.12Å; L606-M610 HydrophobicContact CD2-SD 4.38Å; L606-M610 HydrophobicContact CG-CE 3.95Å; L606-M610 HydrophobicContact CG-SD 3.98Å; L606-M610 WeakPolarHBondContact O-CB 3.32Å; L606-M610 WeakPolarHBondContact O-CG 3.4Å; L606-M610 PolarHBondContact O-N 3.3Å; Y607-M610 PolarHBondContact O-N 3.27Å; M610-F612 VanDerWaalsContact C-N 3.28Å; M610-F612 PolarHBondContact O-N 3.47Å; M610-V613 PolarHBondContact O-N 3.26Å; M610-Y614 WeakPolarHBondContact O-CB 3.21Å; M610-Y614 PolarHBondContact O-N 2.87Å
611	W	83.9	Confident	76.3	Confident	152 Å²	152	68.8 Å²	68.8	58%	0.576	36%	0.358	S	S	*	.	H	α-helix	trans	-60.6	-38.8	177.1	-172.5	-101.4	0	0	0	111.7	Y607 Y614 G615	Y607-W611 VanDerWaalsContact O-CB 3.28Å; Y607-W611 WeakPolarHBondContact O-CB 3.42Å; Y607-W611 PolarHBondContact O-N 3.05Å; W611-Y614 HydrophobicContact CE3-CD1 4.43Å; W611-Y614 HydrophobicContact CZ3-CD1 4.35Å; W611-Y614 HydrophobicContact CZ3-CE1 4.5Å; W611-Y614 PolarHBondContact O-N 3.27Å; W611-G615 PolarHBondContact O-N 2.88Å
612	F	80.6	Confident	77.2	Confident	17 Å²	17	65.1 Å²	65.1	8%	0.075	35%	0.346	C	S	.	.	H	α-helix	trans	-67.5	-44.2	175.1	179.6	-107	0	0	0	113.4	N608 M610 Y614 G615 S616 G622 V624 Y626 M635	N608-F612 VanDerWaalsContact O-CB 3.25Å; N608-F612 WeakPolarHBondContact O-CB 3.45Å; N608-F612 PolarHBondContact O-N 2.99Å; M610-F612 VanDerWaalsContact C-N 3.28Å; M610-F612 PolarHBondContact O-N 3.47Å; F612-Y614 VanDerWaalsContact C-N 3.3Å; F612-Y614 PolarHBondContact O-N 3.33Å; F612-G615 PolarHBondContact O-N 3.22Å; F612-S616 WeakPolarHBondContact O-CB 3.24Å; F612-S616 PolarHBondContact O-N 2.98Å; F612-S616 PolarHBondContact O-OG 3.31Å; F612-G622 WeakPolarHBondContact CE2-O 3.22Å; F612-V624 HydrophobicContact CB-CG2 4.06Å; F612-V624 HydrophobicContact CD1-CB 4.46Å; F612-V624 HydrophobicContact CD1-CG2 4.13Å; F612-V624 HydrophobicContact CD2-CB 4.33Å; F612-V624 HydrophobicContact CD2-CG2 3.57Å; F612-V624 HydrophobicContact CE1-CB 4.47Å; F612-V624 HydrophobicContact CE2-CB 4.36Å; F612-V624 HydrophobicContact CE2-CG2 4.06Å; F612-V624 HydrophobicContact CG-CB 4.38Å; F612-V624 HydrophobicContact CG-CG2 3.62Å; F612-V624 HydrophobicContact CZ-CB 4.43Å; F612-Y626 AromaticContact CE1-CE1 3.93Å; F612-Y626 HydrophobicContact CE1-CE1 3.93Å; F612-Y626 AromaticContact CE1-CZ 3.9Å; F612-Y626 VanDerWaalsContact CE1-OH 3.26Å; F612-Y626 WeakPolarHBondContact CE1-OH 3.42Å; F612-Y626 HydrophobicContact CZ-CE1 4.27Å; F612-Y626 AromaticContact CZ-CZ 3.86Å; F612-Y626 WeakPolarHBondContact CZ-OH 3.46Å; F612-M635 HydrophobicContact CD1-CE 4.47Å; F612-M635 HydrophobicContact CE1-CE 3.72Å; F612-M635 HydrophobicContact CE1-SD 4.3Å; F612-M635 HydrophobicContact CZ-CE 4.43Å
613	V	86.2	Confident	77.4	Confident	0 Å²	0	72 Å²	72	0%	0	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-40.1	176	170.4	0	0	0	0	110.7	V578 I581 V585 S609 M610 S616 F617 W638	V578-V613 HydrophobicContact CG1-CG1 4.36Å; I581-V613 HydrophobicContact CB-CG1 4.13Å; I581-V613 HydrophobicContact CG2-CG1 3.91Å; I581-V613 HydrophobicContact CG2-CG2 4.1Å; V585-V613 HydrophobicContact CB-CG2 4.34Å; V585-V613 HydrophobicContact CG2-CG2 3.85Å; S609-V613 WeakPolarHBondContact O-CG2 3.41Å; S609-V613 PolarHBondContact O-N 3.03Å; S609-V613 VanDerWaalsContact O-N 3.12Å; M610-V613 PolarHBondContact O-N 3.26Å; V613-S616 PolarHBondContact O-OG 2.89Å; V613-F617 PolarHBondContact O-N 3.21Å; V613-F617 VanDerWaalsContact O-N 3.16Å; V613-W638 HydrophobicContact CG1-CD2 4.43Å; V613-W638 HydrophobicContact CG1-CH2 4.32Å; V613-W638 HydrophobicContact CG1-CZ2 3.56Å; V613-W638 PolarHBondContact O-NE1 2.74Å
614	Y	87.1	Confident	77.7	Confident	115 Å²	115	71.2 Å²	71.2	45%	0.451	37%	0.365	S	S	.	.	H	α-helix	trans	-64.3	-50.1	172.1	177.3	-106.3	0	0	0	113.1	M610 W611 F612 S616 F617 V618	M610-Y614 WeakPolarHBondContact O-CB 3.21Å; M610-Y614 PolarHBondContact O-N 2.87Å; W611-Y614 HydrophobicContact CE3-CD1 4.43Å; W611-Y614 HydrophobicContact CZ3-CD1 4.35Å; W611-Y614 HydrophobicContact CZ3-CE1 4.5Å; W611-Y614 PolarHBondContact O-N 3.27Å; F612-Y614 VanDerWaalsContact C-N 3.3Å; F612-Y614 PolarHBondContact O-N 3.33Å; Y614-S616 VanDerWaalsContact C-N 3.27Å; Y614-S616 PolarHBondContact O-N 2.86Å; Y614-F617 WeakPolarHBondContact O-CA 3.23Å; Y614-F617 WeakPolarHBondContact O-CB 3.48Å; Y614-F617 PolarHBondContact O-N 3.37Å; Y614-V618 HydrophobicContact CD2-CG2 4.34Å; Y614-V618 HydrophobicContact CE1-CG2 4.15Å; Y614-V618 HydrophobicContact CE2-CG2 3.89Å; Y614-V618 PolarHBondContact O-N 3.23Å
615	G	84.6	Confident	77.4	Confident	8 Å²	8	71.4 Å²	71.4	8%	0.082	37%	0.367	C	S	.	.	H	α-helix	trans	-61.5	-33.1	179.1	0	0	0	0	0	113.5	W611 F612 V618 Q619 Q620 G621	W611-G615 PolarHBondContact O-N 2.88Å; F612-G615 PolarHBondContact O-N 3.22Å; G615-V618 PolarHBondContact O-N 2.91Å; G615-Q619 PolarHBondContact O-N 3.21Å; G615-Q620 PolarHBondContact O-N 3.15Å; G615-G621 PolarHBondContact O-N 3.02Å
616	S	84.6	Confident	77	Confident	12 Å²	12	71 Å²	71	8%	0.084	36%	0.36	C	S	.	.	H	α-helix	trans	-72.1	-29	171.6	67.5	0	0	0	0	113.7	F612 V613 Y614 Q619 W638	F612-S616 WeakPolarHBondContact O-CB 3.24Å; F612-S616 PolarHBondContact O-N 2.98Å; F612-S616 PolarHBondContact O-OG 3.31Å; V613-S616 PolarHBondContact O-OG 2.89Å; Y614-S616 VanDerWaalsContact C-N 3.27Å; Y614-S616 PolarHBondContact O-N 2.86Å; S616-Q619 PolarHBondContact O-N 3.16Å; S616-W638 PolarHBondContact OG-NE1 2.81Å; S616-W638 VanDerWaalsContact OG-NE1 3.11Å
617	F	87.6	Confident	76.2	Confident	30 Å²	30	70.7 Å²	70.7	13%	0.132	36%	0.361	C	S	.	.	H	α-helix	trans	-71.7	-35.8	170.9	-175.6	-93.3	0	0	0	112	I574 V578 V613 Y614 Q619 W638 A642 V645 I646	I574-F617 HydrophobicContact CG2-CE1 4.11Å; I574-F617 HydrophobicContact CG2-CE2 3.99Å; I574-F617 HydrophobicContact CG2-CZ 3.51Å; V578-F617 HydrophobicContact CG2-CG 4.45Å; V613-F617 PolarHBondContact O-N 3.21Å; V613-F617 VanDerWaalsContact O-N 3.16Å; Y614-F617 WeakPolarHBondContact O-CA 3.23Å; Y614-F617 WeakPolarHBondContact O-CB 3.48Å; Y614-F617 PolarHBondContact O-N 3.37Å; F617-Q619 PolarHBondContact O-N 2.87Å; F617-W638 HydrophobicContact CB-CZ2 4.01Å; F617-W638 HydrophobicContact CD2-CH2 4.24Å; F617-W638 AromaticContact CD2-CZ2 3.98Å; F617-W638 HydrophobicContact CD2-CZ2 3.98Å; F617-W638 HydrophobicContact CG-CZ2 4.38Å; F617-A642 HydrophobicContact CD2-CB 3.92Å; F617-V645 HydrophobicContact CE2-CB 4.39Å; F617-V645 HydrophobicContact CE2-CG1 4.12Å; F617-V645 HydrophobicContact CZ-CG1 3.93Å; F617-I646 WeakPolarHBondContact O-CD1 3.34Å
618	V	87.6	Confident	75.8	Confident	62 Å²	62	64.4 Å²	64.4	38%	0.376	34%	0.339	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.7	13.3	174.9	-169.6	0	0	0	0	112.1	Y614 G615 Q620	Y614-V618 HydrophobicContact CD2-CG2 4.34Å; Y614-V618 HydrophobicContact CE1-CG2 4.15Å; Y614-V618 HydrophobicContact CE2-CG2 3.89Å; Y614-V618 PolarHBondContact O-N 3.23Å; G615-V618 PolarHBondContact O-N 2.91Å; V618-Q620 HydrophobicContact CG1-CG 4.42Å; V618-Q620 PolarHBondContact O-N 3.3Å
619	Q	83	Confident	75.8	Confident	136 Å²	136	67.2 Å²	67.2	64%	0.636	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.4	7.8	-179.5	-53.8	-175.3	-7.8	0	0	116.3	G615 S616 F617 I646	G615-Q619 PolarHBondContact O-N 3.21Å; S616-Q619 PolarHBondContact O-N 3.16Å; F617-Q619 PolarHBondContact O-N 2.87Å; Q619-I646 HydrophobicContact CG-CD1 3.77Å
620	Q	78.8	Confident	75.7	Confident	162 Å²	162	69.6 Å²	69.6	76%	0.757	37%	0.373	S	S	*	.			trans	-81.1	-15.2	-177.1	-69	-174.4	-12.4	0	0	113.8	G615 V618	G615-Q620 PolarHBondContact O-N 3.15Å; V618-Q620 HydrophobicContact CG1-CG 4.42Å; V618-Q620 PolarHBondContact O-N 3.3Å
621	G	71.1	Confident	75.4	Confident	43 Å²	43	67.1 Å²	67.1	44%	0.443	36%	0.362	S	S	.	.			trans	72	-165.3	176.3	0	0	0	0	0	114	G615	G615-G621 PolarHBondContact O-N 3.02Å
622	G	67.1	Low	75.4	Confident	53 Å²	53	67 Å²	67	55%	0.546	36%	0.361	S	S	.	.			trans	166	155.6	178.2	0	0	0	0	0	113.7	F612 V624	F612-G622 WeakPolarHBondContact CE2-O 3.22Å; G622-V624 PolarHBondContact O-N 3.14Å
623	E	58.9	Low	75.6	Confident	197 Å²	197	71.7 Å²	71.7	92%	0.921	39%	0.385	S	S	*	.			trans	-93.4	84.2	-175.3	-63.4	-172	173.2	0	0	111.9
624	V	59.8	Low	75.4	Confident	41 Å²	41	73.3 Å²	73.3	25%	0.248	39%	0.392	C	S	.	.			trans	-115.7	119.6	171.8	-178.5	0	0	0	0	109.9	F612 G622 Y626	F612-V624 HydrophobicContact CB-CG2 4.06Å; F612-V624 HydrophobicContact CD1-CB 4.46Å; F612-V624 HydrophobicContact CD1-CG2 4.13Å; F612-V624 HydrophobicContact CD2-CB 4.33Å; F612-V624 HydrophobicContact CD2-CG2 3.57Å; F612-V624 HydrophobicContact CE1-CB 4.47Å; F612-V624 HydrophobicContact CE2-CB 4.36Å; F612-V624 HydrophobicContact CE2-CG2 4.06Å; F612-V624 HydrophobicContact CG-CB 4.38Å; F612-V624 HydrophobicContact CG-CG2 3.62Å; F612-V624 HydrophobicContact CZ-CB 4.43Å; G622-V624 PolarHBondContact O-N 3.14Å; V624-Y626 PolarHBondContact O-N 3.24Å
625	P	57.2	Low	75.3	Confident	59 Å²	59	67.9 Å²	67.9	38%	0.383	37%	0.371	S	S	.	.			trans	-75.2	98.4	-173.4	28.3	-34.1	0	0	0	112.5	L596 T627	L596-P625 HydrophobicContact CD1-CG 3.93Å; P625-T627 PolarHBondContact O-N 3.31Å
626	Y	62.6	Low	75.3	Confident	48 Å²	48	69 Å²	69	19%	0.188	38%	0.383	C	S	.	.			trans	-69.2	95.8	177.6	-56.1	-56.3	0	0	0	113.2	F612 V624 T631 R632 M635 W639	F612-Y626 AromaticContact CE1-CE1 3.93Å; F612-Y626 HydrophobicContact CE1-CE1 3.93Å; F612-Y626 AromaticContact CE1-CZ 3.9Å; F612-Y626 VanDerWaalsContact CE1-OH 3.26Å; F612-Y626 WeakPolarHBondContact CE1-OH 3.42Å; F612-Y626 HydrophobicContact CZ-CE1 4.27Å; F612-Y626 AromaticContact CZ-CZ 3.86Å; F612-Y626 WeakPolarHBondContact CZ-OH 3.46Å; V624-Y626 PolarHBondContact O-N 3.24Å; Y626-T631 HydrophobicContact CD1-CG2 4.02Å; Y626-T631 HydrophobicContact CE1-CG2 4.41Å; Y626-R632 HydrophobicContact CG-CG 4.27Å; Y626-R632 PolarHBondContact O-NE 2.8Å; Y626-R632 PolarHBondContact O-NH2 3.04Å; Y626-M635 HydrophobicContact CE1-CB 4.37Å; Y626-M635 HydrophobicContact CE1-CG 3.69Å; Y626-W639 AromaticContact CE2-CH2 3.95Å; Y626-W639 HydrophobicContact CE2-CH2 3.95Å; Y626-W639 HydrophobicContact CE2-CZ2 4.13Å; Y626-W639 WeakPolarHBondContact OH-CZ2 3.32Å
627	T	59.8	Low	75.6	Confident	67 Å²	67	75.3 Å²	75.3	41%	0.411	41%	0.409	S	S	.	.			trans	-84.7	-25.3	179.9	52.2	0	0	0	0	115	P594 P625	P594-T627 HydrophobicContact CB-CG2 3.44Å; P594-T627 VanDerWaalsContact CB-CG2 3.44Å; P625-T627 PolarHBondContact O-N 3.31Å
628	T	71.7	Confident	75.7	Confident	26 Å²	26	74.3 Å²	74.3	16%	0.16	41%	0.405	C	S	.	.	S	Bend	trans	-106.4	149.5	-176.4	90.9	0	0	0	0	113.1	N592 A630 T631 R632	N592-T628 HydrophobicContact CB-CG2 3.78Å; T628-A630 VanDerWaalsContact C-N 3.33Å; T628-A630 PolarHBondContact OG1-N 2.99Å; T628-T631 PolarHBondContact OG1-N 3.11Å; T628-T631 PolarHBondContact OG1-OG1 3.16Å; T628-R632 WeakPolarHBondContact O-CG 3.4Å; T628-R632 PolarHBondContact O-N 2.89Å
629	L	78.1	Confident	75.7	Confident	125 Å²	125	77.3 Å²	77.3	65%	0.654	41%	0.409	S	S	*	.	H	α-helix	trans	-65.4	-35.6	173.8	-177	61.4	0	0	0	112.2	R632 M633	L629-R632 PolarHBondContact O-N 2.98Å; L629-M633 HydrophobicContact CD1-CE 4.1Å; L629-M633 HydrophobicContact CD1-CG 4.35Å; L629-M633 HydrophobicContact CG-CG 4.5Å; L629-M633 WeakPolarHBondContact O-CG 3.36Å; L629-M633 PolarHBondContact O-N 2.79Å
630	A	78.4	Confident	76.1	Confident	56 Å²	56	76.1 Å²	76.1	46%	0.463	41%	0.405	S	S	.	.	H	α-helix	trans	-63.6	-48.3	179.3	0	0	0	0	0	111.8	T628 R632 M633 M634	T628-A630 VanDerWaalsContact C-N 3.33Å; T628-A630 PolarHBondContact OG1-N 2.99Å; A630-R632 VanDerWaalsContact C-N 3.3Å; A630-R632 PolarHBondContact O-N 3.47Å; A630-M633 PolarHBondContact O-N 2.61Å; A630-M634 WeakPolarHBondContact O-CB 3.42Å; A630-M634 PolarHBondContact O-N 3.03Å
631	T	75.8	Confident	76.7	Confident	1 Å²	1	72 Å²	72	1%	0.006	39%	0.385	C	S	.	.	H	α-helix	trans	-61	-39.8	176.5	-45.2	0	0	0	0	111	Y626 T628 M635	Y626-T631 HydrophobicContact CD1-CG2 4.02Å; Y626-T631 HydrophobicContact CE1-CG2 4.41Å; T628-T631 PolarHBondContact OG1-N 3.11Å; T628-T631 PolarHBondContact OG1-OG1 3.16Å; T631-M635 WeakPolarHBondContact O-CB 3.25Å; T631-M635 VanDerWaalsContact O-CG 3.31Å; T631-M635 WeakPolarHBondContact O-CG 3.32Å; T631-M635 PolarHBondContact O-N 2.94Å
632	R	82.3	Confident	77.5	Confident	149 Å²	149	70.1 Å²	70.1	56%	0.562	37%	0.365	S	S	*	.	H	α-helix	trans	-64.2	-46.8	177.2	-70.1	177.8	-173.8	-159.1	1	112.8	Y626 T628 L629 A630 M635 G636	Y626-R632 HydrophobicContact CG-CG 4.27Å; Y626-R632 PolarHBondContact O-NE 2.8Å; Y626-R632 PolarHBondContact O-NH2 3.04Å; T628-R632 WeakPolarHBondContact O-CG 3.4Å; T628-R632 PolarHBondContact O-N 2.89Å; L629-R632 PolarHBondContact O-N 2.98Å; A630-R632 VanDerWaalsContact C-N 3.3Å; A630-R632 PolarHBondContact O-N 3.47Å; R632-M635 PolarHBondContact O-N 2.82Å; R632-G636 PolarHBondContact O-N 3.03Å
633	M	84.6	Confident	78.6	Confident	116 Å²	116	72.8 Å²	72.8	57%	0.571	37%	0.366	S	S	*	.	H	α-helix	trans	-63.7	-43.4	178.1	-72.7	-65.3	-178.5	0	0	111.7	L629 A630 M635 G636 F637	L629-M633 HydrophobicContact CD1-CE 4.1Å; L629-M633 HydrophobicContact CD1-CG 4.35Å; L629-M633 HydrophobicContact CG-CG 4.5Å; L629-M633 WeakPolarHBondContact O-CG 3.36Å; L629-M633 PolarHBondContact O-N 2.79Å; A630-M633 PolarHBondContact O-N 2.61Å; M633-M635 PolarHBondContact O-N 2.87Å; M633-G636 PolarHBondContact O-N 2.73Å; M633-F637 VanDerWaalsContact O-CD2 3.3Å; M633-F637 WeakPolarHBondContact O-CD2 3.43Å; M633-F637 PolarHBondContact O-N 2.74Å; M633-F637 VanDerWaalsContact O-N 3.1Å
634	M	83.8	Confident	80.2	Confident	34 Å²	34	67.7 Å²	67.7	17%	0.167	34%	0.344	C	S	.	.	H	α-helix	trans	-63.7	-41.6	178.2	-167	175.4	79.3	0	0	112.3	L584 V585 L588 A630 G636 F637 W638	L584-M634 HydrophobicContact CB-CE 4.3Å; L584-M634 HydrophobicContact CB-SD 4.36Å; L584-M634 HydrophobicContact CD2-CE 4.42Å; L584-M634 HydrophobicContact CD2-SD 3.45Å; L584-M634 WeakPolarHBondContact CD2-SD 3.38Å; L584-M634 HydrophobicContact CG-CE 4.07Å; L584-M634 HydrophobicContact CG-SD 3.6Å; L584-M634 VanDerWaalsContact CG-SD 3.6Å; V585-M634 HydrophobicContact CB-CE 4.23Å; V585-M634 HydrophobicContact CG2-CE 3.39Å; L588-M634 HydrophobicContact CD1-CE 3.71Å; L588-M634 HydrophobicContact CD1-SD 3.7Å; A630-M634 WeakPolarHBondContact O-CB 3.42Å; A630-M634 PolarHBondContact O-N 3.03Å; M634-G636 VanDerWaalsContact C-N 3.34Å; M634-F637 PolarHBondContact O-N 2.86Å; M634-W638 PolarHBondContact O-N 3.28Å
635	M	83.4	Confident	81.7	Confident	0 Å²	0	66.6 Å²	66.6	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-67.7	-32.5	173.7	-71.4	-58.3	-50.5	0	0	112.7	V585 F612 Y626 T631 R632 M633 W638 W639	V585-M635 HydrophobicContact CG2-SD 3.89Å; F612-M635 HydrophobicContact CD1-CE 4.47Å; F612-M635 HydrophobicContact CE1-CE 3.72Å; F612-M635 HydrophobicContact CE1-SD 4.3Å; F612-M635 HydrophobicContact CZ-CE 4.43Å; Y626-M635 HydrophobicContact CE1-CB 4.37Å; Y626-M635 HydrophobicContact CE1-CG 3.69Å; T631-M635 WeakPolarHBondContact O-CB 3.25Å; T631-M635 VanDerWaalsContact O-CG 3.31Å; T631-M635 WeakPolarHBondContact O-CG 3.32Å; T631-M635 PolarHBondContact O-N 2.94Å; R632-M635 PolarHBondContact O-N 2.82Å; M633-M635 PolarHBondContact O-N 2.87Å; M635-W638 HydrophobicContact CE-CB 4.47Å; M635-W638 HydrophobicContact CE-CG 4.33Å; M635-W638 PolarHBondContact O-N 3.4Å; M635-W639 WeakPolarHBondContact O-CB 3.31Å; M635-W639 PolarHBondContact O-N 3.13Å
636	G	86.3	Confident	83.3	Confident	33 Å²	33	65.5 Å²	65.5	34%	0.34	33%	0.328	S	S	.	.	H	α-helix	trans	-60.8	-44.7	172.2	0	0	0	0	0	112.9	R632 M633 M634 W639 M640	R632-G636 PolarHBondContact O-N 3.03Å; M633-G636 PolarHBondContact O-N 2.73Å; M634-G636 VanDerWaalsContact C-N 3.34Å; G636-W639 PolarHBondContact O-N 2.94Å; G636-M640 PolarHBondContact O-N 2.92Å
637	F	89.6	Confident	84.6	Confident	143 Å²	143	66.1 Å²	66.1	63%	0.627	34%	0.34	S	S	*	.	H	α-helix	trans	-67.9	-36.7	173.2	-75.8	-69	0	0	0	112.7	M633 M634 M640 F641	M633-F637 VanDerWaalsContact O-CD2 3.3Å; M633-F637 WeakPolarHBondContact O-CD2 3.43Å; M633-F637 PolarHBondContact O-N 2.74Å; M633-F637 VanDerWaalsContact O-N 3.1Å; M634-F637 PolarHBondContact O-N 2.86Å; F637-M640 PolarHBondContact O-N 2.88Å; F637-F641 PolarHBondContact O-N 3.39Å
638	W	89.4	Confident	86.1	Confident	9 Å²	9	65.4 Å²	65.4	3%	0.034	34%	0.338	C	S	.	.	H	α-helix	trans	-62	-43.3	173.3	177.9	-111.8	0	0	0	112.5	V578 I581 V613 S616 F617 M634 M635 F641 A642	V578-W638 HydrophobicContact CB-CH2 4.29Å; V578-W638 HydrophobicContact CG2-CH2 3.68Å; V578-W638 HydrophobicContact CG2-CZ2 3.93Å; I581-W638 HydrophobicContact CB-CD2 4.48Å; I581-W638 HydrophobicContact CB-CE3 4.13Å; I581-W638 HydrophobicContact CB-CZ3 4.28Å; I581-W638 HydrophobicContact CG1-CE3 3.74Å; I581-W638 HydrophobicContact CG1-CZ3 3.88Å; I581-W638 HydrophobicContact CG2-CD2 4.01Å; I581-W638 HydrophobicContact CG2-CE3 4.09Å; I581-W638 HydrophobicContact CG2-CG 4.2Å; V613-W638 HydrophobicContact CG1-CD2 4.43Å; V613-W638 HydrophobicContact CG1-CH2 4.32Å; V613-W638 HydrophobicContact CG1-CZ2 3.56Å; V613-W638 PolarHBondContact O-NE1 2.74Å; S616-W638 PolarHBondContact OG-NE1 2.81Å; S616-W638 VanDerWaalsContact OG-NE1 3.11Å; F617-W638 HydrophobicContact CB-CZ2 4.01Å; F617-W638 HydrophobicContact CD2-CH2 4.24Å; F617-W638 AromaticContact CD2-CZ2 3.98Å; F617-W638 HydrophobicContact CD2-CZ2 3.98Å; F617-W638 HydrophobicContact CG-CZ2 4.38Å; M634-W638 PolarHBondContact O-N 3.28Å; M635-W638 HydrophobicContact CE-CB 4.47Å; M635-W638 HydrophobicContact CE-CG 4.33Å; M635-W638 PolarHBondContact O-N 3.4Å; W638-F641 AromaticContact CE3-CD1 3.79Å; W638-F641 HydrophobicContact CE3-CD1 3.79Å; W638-F641 HydrophobicContact CE3-CE1 4.44Å; W638-F641 HydrophobicContact CH2-CD1 4.19Å; W638-F641 HydrophobicContact CH2-CE1 4.16Å; W638-F641 AromaticContact CZ3-CD1 3.5Å; W638-F641 HydrophobicContact CZ3-CD1 3.5Å; W638-F641 AromaticContact CZ3-CE1 3.7Å; W638-F641 HydrophobicContact CZ3-CE1 3.7Å; W638-F641 PolarHBondContact O-N 2.9Å; W638-A642 WeakPolarHBondContact O-CB 3.44Å; W638-A642 PolarHBondContact O-N 3.09Å
639	W	89	Confident	87	Confident	126 Å²	126	66.9 Å²	66.9	48%	0.477	34%	0.34	S	S	.	.	H	α-helix	trans	-65.6	-38.3	176.4	-66.3	-24.6	0	0	0	112.4	Y626 M635 G636 L643	Y626-W639 AromaticContact CE2-CH2 3.95Å; Y626-W639 HydrophobicContact CE2-CH2 3.95Å; Y626-W639 HydrophobicContact CE2-CZ2 4.13Å; Y626-W639 WeakPolarHBondContact OH-CZ2 3.32Å; M635-W639 WeakPolarHBondContact O-CB 3.31Å; M635-W639 PolarHBondContact O-N 3.13Å; G636-W639 PolarHBondContact O-N 2.94Å; W639-L643 VanDerWaalsContact O-CB 3.3Å; W639-L643 WeakPolarHBondContact O-CB 3.48Å; W639-L643 PolarHBondContact O-N 2.96Å
640	M	90.1	Very high	87.5	Confident	110 Å²	110	64.5 Å²	64.5	54%	0.542	33%	0.332	S	S	.	.	H	α-helix	trans	-60	-47.4	171	-176.9	-168.9	-71.9	0	0	111.3	G636 F637 L643 I644	G636-M640 PolarHBondContact O-N 2.92Å; F637-M640 PolarHBondContact O-N 2.88Å; M640-L643 PolarHBondContact O-N 3.1Å; M640-I644 HydrophobicContact CG-CD1 3.92Å; M640-I644 VanDerWaalsContact O-CG1 3.29Å; M640-I644 WeakPolarHBondContact O-CG1 3.4Å; M640-I644 PolarHBondContact O-N 2.85Å
641	F	90.9	Very high	88	Confident	76 Å²	76	64.6 Å²	64.6	33%	0.333	33%	0.332	S	S	.	.	H	α-helix	trans	-60.5	-48.6	177.6	173.1	-101.3	0	0	0	112.1	T577 F637 W638 L643 I644 V645	T577-F641 HydrophobicContact CG2-CZ 4.48Å; F637-F641 PolarHBondContact O-N 3.39Å; W638-F641 AromaticContact CE3-CD1 3.79Å; W638-F641 HydrophobicContact CE3-CD1 3.79Å; W638-F641 HydrophobicContact CE3-CE1 4.44Å; W638-F641 HydrophobicContact CH2-CD1 4.19Å; W638-F641 HydrophobicContact CH2-CE1 4.16Å; W638-F641 AromaticContact CZ3-CD1 3.5Å; W638-F641 HydrophobicContact CZ3-CD1 3.5Å; W638-F641 AromaticContact CZ3-CE1 3.7Å; W638-F641 HydrophobicContact CZ3-CE1 3.7Å; W638-F641 PolarHBondContact O-N 2.9Å; F641-L643 PolarHBondContact O-N 2.9Å; F641-I644 PolarHBondContact O-N 3.16Å; F641-V645 HydrophobicContact CD1-CG2 4.47Å; F641-V645 HydrophobicContact CD2-CG2 4.24Å; F641-V645 HydrophobicContact CE1-CG2 4.1Å; F641-V645 HydrophobicContact CE2-CG2 3.84Å; F641-V645 HydrophobicContact CZ-CG2 3.76Å; F641-V645 WeakPolarHBondContact O-CG2 3.47Å; F641-V645 PolarHBondContact O-N 3.13Å
642	A	89.8	Confident	88.5	Confident	4 Å²	4	68.2 Å²	68.2	3%	0.033	35%	0.351	C	S	.	.	H	α-helix	trans	-60.5	-44.4	178.1	0	0	0	0	0	112	F617 W638 I644 V645 I646	F617-A642 HydrophobicContact CD2-CB 3.92Å; W638-A642 WeakPolarHBondContact O-CB 3.44Å; W638-A642 PolarHBondContact O-N 3.09Å; A642-I644 PolarHBondContact O-N 3.23Å; A642-V645 PolarHBondContact O-N 3.45Å; A642-I646 HydrophobicContact CB-CD1 4.5Å; A642-I646 WeakPolarHBondContact O-CB 3.3Å; A642-I646 WeakPolarHBondContact O-CD1 3.33Å; A642-I646 WeakPolarHBondContact O-CG1 3.41Å; A642-I646 PolarHBondContact O-N 2.94Å
643	L	89.8	Confident	88.6	Confident	108 Å²	108	62.9 Å²	62.9	57%	0.565	33%	0.334	S	S	*	.	H	α-helix	trans	-59	-47.4	176.8	-171	159.9	0	0	0	111.2	W639 M640 F641 I646 S647	W639-L643 VanDerWaalsContact O-CB 3.3Å; W639-L643 WeakPolarHBondContact O-CB 3.48Å; W639-L643 PolarHBondContact O-N 2.96Å; M640-L643 PolarHBondContact O-N 3.1Å; F641-L643 PolarHBondContact O-N 2.9Å; L643-I646 PolarHBondContact O-N 3.3Å; L643-S647 VanDerWaalsContact O-CB 3.29Å; L643-S647 WeakPolarHBondContact O-CB 3.49Å; L643-S647 PolarHBondContact O-N 2.75Å; L643-S647 PolarHBondContact O-OG 2.65Å
644	I	91.9	Very high	88.3	Confident	90 Å²	90	60 Å²	60	46%	0.462	33%	0.329	S	S	.	.	H	α-helix	trans	-59.7	-51.9	177.7	-69.1	166	0	0	0	110.7	M640 F641 A642 I646 S647 S648	M640-I644 HydrophobicContact CG-CD1 3.92Å; M640-I644 VanDerWaalsContact O-CG1 3.29Å; M640-I644 WeakPolarHBondContact O-CG1 3.4Å; M640-I644 PolarHBondContact O-N 2.85Å; F641-I644 PolarHBondContact O-N 3.16Å; A642-I644 PolarHBondContact O-N 3.23Å; I644-I646 VanDerWaalsContact C-N 3.34Å; I644-I646 PolarHBondContact O-N 2.63Å; I644-S647 PolarHBondContact O-N 3.43Å; I644-S648 WeakPolarHBondContact O-CB 3.35Å; I644-S648 PolarHBondContact O-N 3.24Å; I644-S648 PolarHBondContact O-OG 3.35Å
645	V	91	Very high	88	Confident	19 Å²	19	60.6 Å²	60.6	12%	0.115	34%	0.338	C	S	.	.	H	α-helix	trans	-58.8	-43.7	-178.8	171.8	0	0	0	0	111.7	F566 I574 F617 F641 A642 S648 Y649	F566-V645 HydrophobicContact CE2-CG1 3.96Å; F566-V645 HydrophobicContact CZ-CG1 4.32Å; F566-V645 WeakPolarHBondContact CZ-O 3.31Å; I574-V645 HydrophobicContact CD1-CG1 3.79Å; I574-V645 HydrophobicContact CG1-CG1 4.36Å; F617-V645 HydrophobicContact CE2-CB 4.39Å; F617-V645 HydrophobicContact CE2-CG1 4.12Å; F617-V645 HydrophobicContact CZ-CG1 3.93Å; F641-V645 HydrophobicContact CD1-CG2 4.47Å; F641-V645 HydrophobicContact CD2-CG2 4.24Å; F641-V645 HydrophobicContact CE1-CG2 4.1Å; F641-V645 HydrophobicContact CE2-CG2 3.84Å; F641-V645 HydrophobicContact CZ-CG2 3.76Å; F641-V645 WeakPolarHBondContact O-CG2 3.47Å; F641-V645 PolarHBondContact O-N 3.13Å; A642-V645 PolarHBondContact O-N 3.45Å; V645-S648 PolarHBondContact O-N 3.17Å; V645-Y649 WeakPolarHBondContact O-CB 3.46Å; V645-Y649 PolarHBondContact O-N 3.11Å
646	I	90.2	Very high	87.6	Confident	35 Å²	35	65.2 Å²	65.2	18%	0.179	36%	0.359	C	S	.	.	H	α-helix	trans	-71.7	-37.2	-178.5	-60.7	158.2	0	0	0	111.2	F617 Q619 A642 L643 I644 Y649 T650	F617-I646 WeakPolarHBondContact O-CD1 3.34Å; Q619-I646 HydrophobicContact CG-CD1 3.77Å; A642-I646 HydrophobicContact CB-CD1 4.5Å; A642-I646 WeakPolarHBondContact O-CB 3.3Å; A642-I646 WeakPolarHBondContact O-CD1 3.33Å; A642-I646 WeakPolarHBondContact O-CG1 3.41Å; A642-I646 PolarHBondContact O-N 2.94Å; L643-I646 PolarHBondContact O-N 3.3Å; I644-I646 VanDerWaalsContact C-N 3.34Å; I644-I646 PolarHBondContact O-N 2.63Å; I646-Y649 PolarHBondContact O-N 3.43Å; I646-T650 WeakPolarHBondContact O-CG2 3.23Å; I646-T650 PolarHBondContact O-N 3.14Å; I646-T650 PolarHBondContact O-OG1 3.41Å; I646-T650 VanDerWaalsContact O-OG1 3.13Å
647	S	90.1	Very high	87	Confident	61 Å²	61	66.5 Å²	66.5	43%	0.427	36%	0.358	S	S	.	.	H	α-helix	trans	-67	-38.4	176	-56.7	0	0	0	0	111.8	L643 I644 T650 A651	L643-S647 VanDerWaalsContact O-CB 3.29Å; L643-S647 WeakPolarHBondContact O-CB 3.49Å; L643-S647 PolarHBondContact O-N 2.75Å; L643-S647 PolarHBondContact O-OG 2.65Å; I644-S647 PolarHBondContact O-N 3.43Å; S647-T650 PolarHBondContact O-OG1 3.02Å; S647-A651 VanDerWaalsContact O-CB 3.27Å; S647-A651 WeakPolarHBondContact O-CB 3.27Å; S647-A651 PolarHBondContact O-N 3.3Å; S647-A651 VanDerWaalsContact O-N 3.08Å
648	S	91.4	Very high	85.9	Confident	53 Å²	53	64.9 Å²	64.9	37%	0.371	36%	0.36	S	S	.	.	H	α-helix	trans	-66.8	-40.3	172	-64.9	0	0	0	0	112.3	I644 V645 N652	I644-S648 WeakPolarHBondContact O-CB 3.35Å; I644-S648 PolarHBondContact O-N 3.24Å; I644-S648 PolarHBondContact O-OG 3.35Å; V645-S648 PolarHBondContact O-N 3.17Å; S648-N652 WeakPolarHBondContact O-CB 3.17Å; S648-N652 PolarHBondContact O-N 3.42Å
649	Y	91	Very high	84.7	Confident	56 Å²	56	69 Å²	69	22%	0.22	38%	0.382	C	S	.	.	H	α-helix	trans	-62.2	-48.7	176.3	173.4	-99.1	0	0	0	112	C562 P565 F566 W571 V645 I646 N652 L653	C562-Y649 WeakPolarHBondContact O-CE2 3.18Å; C562-Y649 PolarHBondContact O-OH 2.56Å; P565-Y649 HydrophobicContact CB-CD2 3.96Å; P565-Y649 HydrophobicContact CB-CE2 4.06Å; P565-Y649 HydrophobicContact CG-CD2 4.3Å; P565-Y649 HydrophobicContact CG-CE2 3.91Å; F566-Y649 HydrophobicContact CD2-CD2 4.18Å; F566-Y649 HydrophobicContact CE2-CD2 4.12Å; F566-Y649 HydrophobicContact CE2-CG 4.36Å; W571-Y649 HydrophobicContact CH2-CD2 4.33Å; W571-Y649 HydrophobicContact CH2-CE2 4.21Å; W571-Y649 HydrophobicContact CZ2-CD2 4.26Å; W571-Y649 HydrophobicContact CZ2-CE2 4.03Å; V645-Y649 WeakPolarHBondContact O-CB 3.46Å; V645-Y649 PolarHBondContact O-N 3.11Å; I646-Y649 PolarHBondContact O-N 3.43Å; Y649-N652 PolarHBondContact O-N 3.03Å; Y649-L653 HydrophobicContact CE1-CD2 4.05Å; Y649-L653 VanDerWaalsContact O-CB 3.27Å; Y649-L653 WeakPolarHBondContact O-CB 3.48Å; Y649-L653 PolarHBondContact O-N 3.13Å
650	T	89.8	Confident	83.1	Confident	76 Å²	76	67 Å²	67	47%	0.466	39%	0.386	S	S	.	.	H	α-helix	trans	-68.3	-36.2	-179.2	54.2	0	0	0	0	112.3	I646 S647 A654	I646-T650 WeakPolarHBondContact O-CG2 3.23Å; I646-T650 PolarHBondContact O-N 3.14Å; I646-T650 PolarHBondContact O-OG1 3.41Å; I646-T650 VanDerWaalsContact O-OG1 3.13Å; S647-T650 PolarHBondContact O-OG1 3.02Å; T650-A654 WeakPolarHBondContact O-CB 3.35Å; T650-A654 PolarHBondContact O-N 3.49Å
651	A	88.4	Confident	81.3	Confident	57 Å²	57	70.4 Å²	70.4	47%	0.471	39%	0.393	S	S	.	.	H	α-helix	trans	-63.7	-48.8	172.7	0	0	0	0	0	112.3	S647 L653 A654 A655	S647-A651 VanDerWaalsContact O-CB 3.27Å; S647-A651 WeakPolarHBondContact O-CB 3.27Å; S647-A651 PolarHBondContact O-N 3.3Å; S647-A651 VanDerWaalsContact O-N 3.08Å; A651-L653 PolarHBondContact O-N 2.75Å; A651-A654 PolarHBondContact O-N 3.28Å; A651-A655 PolarHBondContact O-N 2.96Å
652	N	86.8	Confident	79.6	Confident	78 Å²	78	71.1 Å²	71.1	42%	0.417	40%	0.399	S	S	.	.	H	α-helix	trans	-63.5	-41	177.8	-77.7	8	0	0	0	111.9	P565 S648 Y649 A655 F656	P565-N652 HydrophobicContact CB-CB 3.84Å; P565-N652 PolarHBondContact O-ND2 3.18Å; S648-N652 WeakPolarHBondContact O-CB 3.17Å; S648-N652 PolarHBondContact O-N 3.42Å; Y649-N652 PolarHBondContact O-N 3.03Å; N652-A655 PolarHBondContact O-N 3.3Å; N652-F656 WeakPolarHBondContact O-CB 3.43Å; N652-F656 PolarHBondContact O-N 2.76Å
653	L	82.9	Confident	77.8	Confident	37 Å²	37	76.7 Å²	76.7	19%	0.194	43%	0.425	C	S	.	.	H	α-helix	trans	-64.3	-41.8	177.1	-178	62.7	0	0	0	111.7	P565 Y649 A651 F656 L657	P565-L653 HydrophobicContact CB-CB 4.49Å; P565-L653 HydrophobicContact CG-CB 3.85Å; P565-L653 HydrophobicContact CG-CD1 3.79Å; P565-L653 HydrophobicContact CG-CG 4.39Å; Y649-L653 HydrophobicContact CE1-CD2 4.05Å; Y649-L653 VanDerWaalsContact O-CB 3.27Å; Y649-L653 WeakPolarHBondContact O-CB 3.48Å; Y649-L653 PolarHBondContact O-N 3.13Å; A651-L653 PolarHBondContact O-N 2.75Å; L653-F656 PolarHBondContact O-N 2.75Å; L653-L657 HydrophobicContact CD1-CD1 4.03Å; L653-L657 HydrophobicContact CD1-CG 4.12Å; L653-L657 HydrophobicContact CG-CD1 3.99Å; L653-L657 HydrophobicContact CG-CG 4.45Å; L653-L657 WeakPolarHBondContact O-CB 3.3Å; L653-L657 VanDerWaalsContact O-CG 3.3Å; L653-L657 WeakPolarHBondContact O-CG 3.03Å; L653-L657 PolarHBondContact O-N 3.33Å
654	A	78.1	Confident	76.5	Confident	56 Å²	56	73.4 Å²	73.4	46%	0.463	41%	0.408	S	S	.	.	H	α-helix	trans	-64.7	-39.5	175.3	0	0	0	0	0	112.3	T650 A651 T658	T650-A654 WeakPolarHBondContact O-CB 3.35Å; T650-A654 PolarHBondContact O-N 3.49Å; A651-A654 PolarHBondContact O-N 3.28Å; A654-T658 WeakPolarHBondContact O-CG2 3.39Å; A654-T658 PolarHBondContact O-N 3.08Å; A654-T658 VanDerWaalsContact O-N 3.14Å; A654-T658 PolarHBondContact O-OG1 2.85Å
655	A	79	Confident	75.2	Confident	45 Å²	45	74.1 Å²	74.1	37%	0.372	42%	0.421	S	S	.	.	H	α-helix	trans	-64.9	-42.2	173.2	0	0	0	0	0	112.2	A651 N652 T658 I659	A651-A655 PolarHBondContact O-N 2.96Å; N652-A655 PolarHBondContact O-N 3.3Å; A655-T658 PolarHBondContact O-N 3.05Å; A655-T658 PolarHBondContact O-OG1 2.8Å; A655-T658 VanDerWaalsContact O-OG1 3.08Å; A655-I659 VanDerWaalsContact O-CB 3.31Å; A655-I659 WeakPolarHBondContact O-CB 3.37Å; A655-I659 WeakPolarHBondContact O-CG1 3.38Å; A655-I659 PolarHBondContact O-N 3.37Å
656	F	74.8	Confident	74.6	Confident	97 Å²	97	73.9 Å²	73.9	43%	0.425	42%	0.419	S	S	.	.	H	α-helix	trans	-65.2	-44.4	178	-169.2	-96.9	0	0	0	112.3	A561 A564 N652 L653 T658 I659	A561-F656 HydrophobicContact CB-CE1 4.11Å; A564-F656 HydrophobicContact CB-CE2 4.48Å; A564-F656 HydrophobicContact CB-CZ 4.24Å; N652-F656 WeakPolarHBondContact O-CB 3.43Å; N652-F656 PolarHBondContact O-N 2.76Å; L653-F656 PolarHBondContact O-N 2.75Å; F656-T658 VanDerWaalsContact C-N 3.33Å; F656-T658 PolarHBondContact O-N 3.37Å; F656-I659 CarbonylContact O-C 3.58Å; F656-I659 PolarHBondContact O-N 3.26Å
657	L	73.3	Confident	74.2	Confident	60 Å²	60	79.8 Å²	79.8	31%	0.314	45%	0.446	S	S	.	.	H	α-helix	trans	-70.6	-26	179.8	-69.2	175.2	0	0	0	113.7	L653 L827	L653-L657 HydrophobicContact CD1-CD1 4.03Å; L653-L657 HydrophobicContact CD1-CG 4.12Å; L653-L657 HydrophobicContact CG-CD1 3.99Å; L653-L657 HydrophobicContact CG-CG 4.45Å; L653-L657 WeakPolarHBondContact O-CB 3.3Å; L653-L657 VanDerWaalsContact O-CG 3.3Å; L653-L657 WeakPolarHBondContact O-CG 3.03Å; L653-L657 PolarHBondContact O-N 3.33Å; L657-L827 HydrophobicContact CB-CD2 4.28Å; L657-L827 HydrophobicContact CD1-CD2 4.15Å; L657-L827 HydrophobicContact CD2-CD2 3.95Å; L657-L827 HydrophobicContact CG-CD2 4.36Å
658	T	67.2	Low	74	Confident	110 Å²	110	78.4 Å²	78.4	68%	0.675	44%	0.436	S	S	*	.	H	α-helix	trans	-82	-34	173	47.1	0	0	0	0	112.3	A654 A655 F656 S660	A654-T658 WeakPolarHBondContact O-CG2 3.39Å; A654-T658 PolarHBondContact O-N 3.08Å; A654-T658 VanDerWaalsContact O-N 3.14Å; A654-T658 PolarHBondContact O-OG1 2.85Å; A655-T658 PolarHBondContact O-N 3.05Å; A655-T658 PolarHBondContact O-OG1 2.8Å; A655-T658 VanDerWaalsContact O-OG1 3.08Å; F656-T658 VanDerWaalsContact C-N 3.33Å; F656-T658 PolarHBondContact O-N 3.37Å; T658-S660 VanDerWaalsContact C-N 3.33Å; T658-S660 PolarHBondContact O-N 3.04Å; T658-S660 VanDerWaalsContact O-N 3.09Å
659	I	62.9	Low	73.7	Confident	96 Å²	96	76.3 Å²	76.3	49%	0.492	42%	0.421	S	S	.	.			trans	-88	71.2	179.5	-59	169.9	0	0	0	109.9	A655 F656 R661	A655-I659 VanDerWaalsContact O-CB 3.31Å; A655-I659 WeakPolarHBondContact O-CB 3.37Å; A655-I659 WeakPolarHBondContact O-CG1 3.38Å; A655-I659 PolarHBondContact O-N 3.37Å; F656-I659 CarbonylContact O-C 3.58Å; F656-I659 PolarHBondContact O-N 3.26Å; I659-R661 HydrophobicContact CG2-CB 4.5Å; I659-R661 HydrophobicContact CG2-CG 3.66Å; I659-R661 PolarHBondContact O-N 3.24Å
660	S	55.9	Low	73.4	Confident	82 Å²	82	78.2 Å²	78.2	57%	0.573	43%	0.432	S	S	*	.			trans	-72.7	75.2	167.5	49.4	0	0	0	0	111	T658 I662	T658-S660 VanDerWaalsContact C-N 3.33Å; T658-S660 PolarHBondContact O-N 3.04Å; T658-S660 VanDerWaalsContact O-N 3.09Å; S660-I662 PolarHBondContact O-N 3.37Å
661	R	53.2	Low	73.3	Confident	182 Å²	182	77.1 Å²	77.1	69%	0.687	42%	0.423	S	S	*	.			trans	-62.7	92.5	179.4	-96.6	161.3	-176.4	-131.2	11.3	111.9	I659 E663	I659-R661 HydrophobicContact CG2-CB 4.5Å; I659-R661 HydrophobicContact CG2-CG 3.66Å; I659-R661 PolarHBondContact O-N 3.24Å; R661-E663 HydrophobicContact CB-CG 4.08Å; R661-E663 WeakPolarHBondContact CD-OE1 3.35Å; R661-E663 HydrophobicContact CG-CG 4.09Å; R661-E663 WeakPolarHBondContact CG-OE1 3.41Å; R661-E663 IonicContact CZ-OE1 2.97Å; R661-E663 IonicContact NE-OE1 2.79Å; R661-E663 PolarHBondContact NE-OE1 3.42Å; R661-E663 IonicContact NH1-OE1 3.36Å; R661-E663 PolarHBondContact NH1-OE1 3.46Å; R661-E663 PolarHBondContact O-N 3.17Å
662	I	53.3	Low	73.2	Confident	91 Å²	91	74.4 Å²	74.4	47%	0.467	40%	0.401	S	S	.	.			trans	-75.6	81.1	154.5	-53.1	176.6	0	0	0	106.8	S660 N664	S660-I662 PolarHBondContact O-N 3.37Å; I662-N664 VanDerWaalsContact C-N 3.32Å; I662-N664 PolarHBondContact O-N 2.65Å
663	E	53.6	Low	73.2	Confident	121 Å²	121	70.9 Å²	70.9	57%	0.565	38%	0.382	S	S	*	.			trans	-78.9	83.9	173.5	-80.6	179.2	-171.3	0	0	110.3	R661 S665	R661-E663 HydrophobicContact CB-CG 4.08Å; R661-E663 WeakPolarHBondContact CD-OE1 3.35Å; R661-E663 HydrophobicContact CG-CG 4.09Å; R661-E663 WeakPolarHBondContact CG-OE1 3.41Å; R661-E663 IonicContact CZ-OE1 2.97Å; R661-E663 IonicContact NE-OE1 2.79Å; R661-E663 PolarHBondContact NE-OE1 3.42Å; R661-E663 IonicContact NH1-OE1 3.36Å; R661-E663 PolarHBondContact NH1-OE1 3.46Å; R661-E663 PolarHBondContact O-N 3.17Å; E663-S665 PolarHBondContact O-N 2.89Å
664	N	60.9	Low	73.4	Confident	39 Å²	39	74.3 Å²	74.3	21%	0.209	40%	0.395	C	S	.	.			trans	-61.4	103.4	157.6	-73.3	-9.3	0	0	0	107.5	I662 I666 Y760	I662-N664 VanDerWaalsContact C-N 3.32Å; I662-N664 PolarHBondContact O-N 2.65Å; N664-I666 PolarHBondContact O-N 2.88Å; N664-Y760 HydrophobicContact CB-CE2 4.08Å
665	S	65.3	Low	73.7	Confident	106 Å²	106	73.6 Å²	73.6	74%	0.741	38%	0.382	S	S	*	.	S	Bend	trans	-70.6	-11.2	-171.4	55.5	0	0	0	0	114.6	E663	E663-S665 PolarHBondContact O-N 2.89Å
666	I	79.6	Confident	73.9	Confident	13 Å²	13	75.5 Å²	75.5	7%	0.067	39%	0.39	C	S	.	.			trans	-119.9	111.3	179.7	-61.6	159.2	0	0	0	107.6	L550 N664 L672 Q675 L678	L550-I666 HydrophobicContact CD1-CB 3.98Å; L550-I666 HydrophobicContact CD1-CD1 4.24Å; L550-I666 HydrophobicContact CD1-CG2 3.8Å; N664-I666 PolarHBondContact O-N 2.88Å; I666-L672 HydrophobicContact CD1-CD1 3.85Å; I666-L672 HydrophobicContact CG2-CB 3.95Å; I666-L672 HydrophobicContact CG2-CD1 4.42Å; I666-Q675 HydrophobicContact CD1-CG 4.5Å; I666-L678 HydrophobicContact CD1-CD2 3.98Å
667	Q	81.5	Confident	74.3	Confident	159 Å²	159	79.8 Å²	79.8	74%	0.743	41%	0.411	S	S	*	.			trans	-114.8	-10.6	178	-63.3	-178	10	0	0	112.9	V762	Q667-V762 WeakPolarHBondContact O-CG1 3.43Å
668	S	84.8	Confident	75	Confident	33 Å²	33	78.7 Å²	78.7	23%	0.231	41%	0.405	C	S	.	.	S	Bend	trans	-141.3	158.9	176.1	77.9	0	0	0	0	111.8	Q670 D671 L672 V762	S668-Q670 PolarHBondContact O-N 2.74Å; S668-Q670 PolarHBondContact OG-N 2.74Å; S668-D671 WeakPolarHBondContact CB-OD2 3.34Å; S668-D671 PolarHBondContact N-OD2 3.08Å; S668-D671 PolarHBondContact O-N 3.31Å; S668-D671 VanDerWaalsContact O-N 3.1Å; S668-D671 PolarHBondContact OG-N 3.3Å; S668-D671 VanDerWaalsContact OG-N 3.17Å; S668-D671 PolarHBondContact OG-OD2 3.19Å; S668-L672 PolarHBondContact O-N 3.2Å; S668-V762 VanDerWaalsContact CA-CG1 3.48Å
669	L	84.7	Confident	76	Confident	8 Å²	8	75.3 Å²	75.3	4%	0.042	39%	0.385	C	S	.	.	H	α-helix	trans	-56.4	-29.9	168.7	-90.9	65.9	0	0	0	112	V546 V548 D671 L672 S673 M705 M709 V762	V546-L669 HydrophobicContact CG1-CD2 4.46Å; V548-L669 HydrophobicContact CG2-CD1 3.97Å; V548-L669 HydrophobicContact CG2-CG 4.12Å; L669-D671 VanDerWaalsContact C-N 3.33Å; L669-D671 PolarHBondContact O-N 3.36Å; L669-L672 PolarHBondContact O-N 3.26Å; L669-S673 PolarHBondContact O-N 2.73Å; L669-M705 HydrophobicContact CB-SD 3.78Å; L669-M709 HydrophobicContact CD2-CE 4.4Å; L669-V762 HydrophobicContact CD1-CG1 4.1Å
670	Q	86.5	Confident	77.4	Confident	97 Å²	97	70.9 Å²	70.9	45%	0.453	36%	0.362	S	S	.	.	H	α-helix	trans	-70.4	-30.3	179.1	-151.4	-159.2	48	0	0	112.1	S668 S673 K674 M705	S668-Q670 PolarHBondContact O-N 2.74Å; S668-Q670 PolarHBondContact OG-N 2.74Å; Q670-S673 PolarHBondContact O-OG 2.85Å; Q670-S673 VanDerWaalsContact O-OG 3.13Å; Q670-K674 WeakPolarHBondContact O-CD 3.31Å; Q670-K674 WeakPolarHBondContact O-CE 3.18Å; Q670-K674 WeakPolarHBondContact O-CG 3.3Å; Q670-K674 PolarHBondContact O-N 3.29Å; Q670-K674 VanDerWaalsContact OE1-CE 3.24Å; Q670-M705 HydrophobicContact CB-SD 4.07Å; Q670-M705 HydrophobicContact CG-CB 4.46Å; Q670-M705 HydrophobicContact CG-CG 4.41Å; Q670-M705 HydrophobicContact CG-SD 4.34Å
671	D	86.2	Confident	79.1	Confident	53 Å²	53	67 Å²	67	28%	0.283	34%	0.335	S	S	.	.	H	α-helix	trans	-78.4	-35.9	176.4	-54.1	-48	0	0	0	111	S668 L669 S673 K674 Q675	S668-D671 WeakPolarHBondContact CB-OD2 3.34Å; S668-D671 PolarHBondContact N-OD2 3.08Å; S668-D671 PolarHBondContact O-N 3.31Å; S668-D671 VanDerWaalsContact O-N 3.1Å; S668-D671 PolarHBondContact OG-N 3.3Å; S668-D671 VanDerWaalsContact OG-N 3.17Å; S668-D671 PolarHBondContact OG-OD2 3.19Å; L669-D671 VanDerWaalsContact C-N 3.33Å; L669-D671 PolarHBondContact O-N 3.36Å; D671-S673 VanDerWaalsContact C-N 3.29Å; D671-S673 PolarHBondContact O-N 3.41Å; D671-K674 PolarHBondContact O-N 3.07Å; D671-K674 IonicContact OD1-NZ 3.63Å; D671-K674 PolarHBondContact OD1-NZ 2.98Å; D671-Q675 WeakPolarHBondContact O-CG 3.38Å; D671-Q675 PolarHBondContact O-N 2.67Å
672	L	87.3	Confident	81	Confident	0 Å²	0	58.3 Å²	58.3	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-60.7	-35.8	169.1	-173	73.2	0	0	0	112.5	V548 I666 S668 L669 Q675 L678 Y680	V548-L672 HydrophobicContact CB-CD2 4.19Å; V548-L672 HydrophobicContact CG1-CD2 3.78Å; V548-L672 HydrophobicContact CG2-CD2 3.69Å; I666-L672 HydrophobicContact CD1-CD1 3.85Å; I666-L672 HydrophobicContact CG2-CB 3.95Å; I666-L672 HydrophobicContact CG2-CD1 4.42Å; S668-L672 PolarHBondContact O-N 3.2Å; L669-L672 PolarHBondContact O-N 3.26Å; L672-Q675 PolarHBondContact O-NE2 3.5Å; L672-Q675 VanDerWaalsContact O-NE2 3.12Å; L672-L678 HydrophobicContact CD1-CD2 4.26Å; L672-Y680 HydrophobicContact CD1-CD1 3.79Å; L672-Y680 HydrophobicContact CD1-CE1 4.22Å; L672-Y680 HydrophobicContact CD1-CG 4.39Å; L672-Y680 HydrophobicContact CD2-CD1 4.21Å; L672-Y680 HydrophobicContact CD2-CD2 4.43Å; L672-Y680 HydrophobicContact CD2-CG 4.14Å; L672-Y680 HydrophobicContact CG-CD1 3.8Å; L672-Y680 HydrophobicContact CG-CE1 3.9Å; L672-Y680 HydrophobicContact CG-CG 4.24Å; L672-Y680 VanDerWaalsContact O-CE1 3.28Å; L672-Y680 WeakPolarHBondContact O-CE1 3.19Å
673	S	86.9	Confident	82.7	Confident	3 Å²	3	54.5 Å²	54.5	2%	0.021	28%	0.283	C	S	.	.	H	α-helix	trans	-73.4	-34.2	178.9	88.9	0	0	0	0	113.2	L669 Q670 D671 Q708	L669-S673 PolarHBondContact O-N 2.73Å; Q670-S673 PolarHBondContact O-OG 2.85Å; Q670-S673 VanDerWaalsContact O-OG 3.13Å; D671-S673 VanDerWaalsContact C-N 3.29Å; D671-S673 PolarHBondContact O-N 3.41Å; S673-Q708 PolarHBondContact O-OE1 3.09Å; S673-Q708 PolarHBondContact OG-OE1 2.81Å
674	K	86.2	Confident	84.3	Confident	109 Å²	109	51.7 Å²	51.7	47%	0.474	27%	0.272	S	S	.	.	H	α-helix	trans	-68.5	-41.6	178.1	-69.5	161	-155	160.2	0	112	Q670 D671	Q670-K674 WeakPolarHBondContact O-CD 3.31Å; Q670-K674 WeakPolarHBondContact O-CE 3.18Å; Q670-K674 WeakPolarHBondContact O-CG 3.3Å; Q670-K674 PolarHBondContact O-N 3.29Å; Q670-K674 VanDerWaalsContact OE1-CE 3.24Å; D671-K674 PolarHBondContact O-N 3.07Å; D671-K674 IonicContact OD1-NZ 3.63Å; D671-K674 PolarHBondContact OD1-NZ 2.98Å
675	Q	85	Confident	85.3	Confident	42 Å²	42	53 Å²	53	20%	0.196	28%	0.278	C	S	.	.			trans	-77.6	156.8	-179.1	73.1	75	40.9	0	0	112.2	I666 D671 L672 L678	I666-Q675 HydrophobicContact CD1-CG 4.5Å; D671-Q675 WeakPolarHBondContact O-CG 3.38Å; D671-Q675 PolarHBondContact O-N 2.67Å; L672-Q675 PolarHBondContact O-NE2 3.5Å; L672-Q675 VanDerWaalsContact O-NE2 3.12Å; Q675-L678 PolarHBondContact NE2-O 2.9Å; Q675-L678 VanDerWaalsContact NE2-O 3.09Å
676	T	82.4	Confident	86.2	Confident	85 Å²	85	48.3 Å²	48.3	52%	0.521	25%	0.246	S	C	.	.			trans	-136	6.8	-178	56	0	0	0	0	114.2
677	E	84	Confident	86.5	Confident	186 Å²	186	48.5 Å²	48.5	87%	0.869	25%	0.249	S	C	*	.	S	Bend	trans	-85.7	-40.3	-177.7	-60.7	-171.6	168.2	0	0	112.1	P679	E677-P679 WeakPolarHBondContact O-CD 3.35Å
678	L	87.3	Confident	86.8	Confident	38 Å²	38	41.1 Å²	41.1	20%	0.199	22%	0.215	C	C	.	.	S	Bend	trans	-88.1	116	173.7	-174.9	71.5	0	0	0	109.3	L550 I666 L672 Q675 Y680 R737	L550-L678 HydrophobicContact CD2-CD2 3.57Å; I666-L678 HydrophobicContact CD1-CD2 3.98Å; L672-L678 HydrophobicContact CD1-CD2 4.26Å; Q675-L678 PolarHBondContact NE2-O 2.9Å; Q675-L678 VanDerWaalsContact NE2-O 3.09Å; L678-Y680 WeakPolarHBondContact O-CD1 3.29Å; L678-R737 HydrophobicContact CD1-CB 4.27Å
679	P	89.4	Confident	87	Confident	38 Å²	38	41 Å²	41	25%	0.247	21%	0.21	C	C	.	.			trans	-69.5	144.7	170.3	29.9	-34.5	0	0	0	111.1	E677 M712 R737 F738 G739	E677-P679 WeakPolarHBondContact O-CD 3.35Å; P679-M712 HydrophobicContact CB-CE 4Å; P679-R737 WeakPolarHBondContact CD-O 3.36Å; P679-R737 VanDerWaalsContact CG-O 3.3Å; P679-R737 WeakPolarHBondContact CG-O 3.43Å; P679-F738 HydrophobicContact CB-CD2 4.42Å; P679-F738 HydrophobicContact CG-CD2 4.41Å; P679-F738 CarbonylContact O-C 3.57Å; P679-F738 WeakPolarHBondContact O-CA 3.07Å; P679-F738 WeakPolarHBondContact O-CD2 3.23Å; P679-G739 PolarHBondContact O-N 2.88Å
680	Y	91.3	Very high	87.1	Confident	3 Å²	3	42.5 Å²	42.5	1%	0.012	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.3	153.5	177.3	55	-96.4	0	0	0	111.3	L672 L678 M709 M712 I713 G739 V741	L672-Y680 HydrophobicContact CD1-CD1 3.79Å; L672-Y680 HydrophobicContact CD1-CE1 4.22Å; L672-Y680 HydrophobicContact CD1-CG 4.39Å; L672-Y680 HydrophobicContact CD2-CD1 4.21Å; L672-Y680 HydrophobicContact CD2-CD2 4.43Å; L672-Y680 HydrophobicContact CD2-CG 4.14Å; L672-Y680 HydrophobicContact CG-CD1 3.8Å; L672-Y680 HydrophobicContact CG-CE1 3.9Å; L672-Y680 HydrophobicContact CG-CG 4.24Å; L672-Y680 VanDerWaalsContact O-CE1 3.28Å; L672-Y680 WeakPolarHBondContact O-CE1 3.19Å; L678-Y680 WeakPolarHBondContact O-CD1 3.29Å; Y680-M709 HydrophobicContact CE2-CB 4.06Å; Y680-M709 HydrophobicContact CE2-CG 4.06Å; Y680-M709 WeakPolarHBondContact OH-CA 3.29Å; Y680-M712 HydrophobicContact CD1-CG 4.35Å; Y680-M712 HydrophobicContact CD2-CB 4.48Å; Y680-M712 HydrophobicContact CE1-CB 4.26Å; Y680-M712 HydrophobicContact CE1-CG 4.04Å; Y680-M712 HydrophobicContact CE2-CB 3.81Å; Y680-M712 HydrophobicContact CE2-CG 4.23Å; Y680-I713 HydrophobicContact CD2-CG1 4.26Å; Y680-I713 HydrophobicContact CE2-CG1 4.39Å; Y680-G739 WeakPolarHBondContact CA-O 3.31Å; Y680-G739 WeakPolarHBondContact CB-O 3.42Å; Y680-V741 HydrophobicContact CD2-CG2 4.12Å
681	G	92.1	Very high	87.1	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-165.2	178.9	-172.7	0	0	0	0	0	112.4	N721 G739 V741	G681-N721 WeakPolarHBondContact CA-O 3.3Å; G681-G739 PolarHBondContact N-O 3.37Å; G681-V741 PolarHBondContact O-N 3.49Å
682	T	92.6	Very high	87.2	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	19%	0.185	C	C	.	.			trans	-140.4	-177.1	-174.3	-165.3	0	0	0	0	111.2	V688 Y689 I713 N722 V723 V741	T682-V688 WeakPolarHBondContact OG1-CG1 3.42Å; T682-Y689 HydrophobicContact CG2-CD2 3.88Å; T682-Y689 HydrophobicContact CG2-CG 4.38Å; T682-I713 HydrophobicContact CG2-CG2 4.41Å; T682-N722 PolarHBondContact N-OD1 2.58Å; T682-N722 VanDerWaalsContact O-CA 3.24Å; T682-N722 WeakPolarHBondContact O-CA 3.44Å; T682-N722 WeakPolarHBondContact O-CB 3.23Å; T682-N722 PolarHBondContact O-OD1 3.46Å; T682-V723 PolarHBondContact O-N 3.24Å; T682-V741 WeakPolarHBondContact CB-O 3.45Å; T682-V741 PolarHBondContact OG1-O 3.18Å
683	V	90	Very high	87.2	Confident	11 Å²	11	41 Å²	41	7%	0.067	20%	0.204	C	C	.	.	B	Isolated β-bridge	trans	-79.4	137.5	175.4	-169.2	0	0	0	0	109.9	S686 V723 E724 F740 W742	V683-S686 VanDerWaalsContact O-CB 3.27Å; V683-S686 WeakPolarHBondContact O-CB 3.25Å; V683-S686 PolarHBondContact O-OG 3.17Å; V683-V723 WeakPolarHBondContact CA-O 3.25Å; V683-V723 HydrophobicContact CB-CG2 4.38Å; V683-V723 HydrophobicContact CG2-CG2 3.88Å; V683-E724 WeakPolarHBondContact CG1-O 3.36Å; V683-F740 HydrophobicContact CG2-CE2 4.03Å; V683-F740 HydrophobicContact CG2-CZ 3.84Å; V683-W742 HydrophobicContact CB-CE3 4.2Å; V683-W742 HydrophobicContact CB-CH2 3.65Å; V683-W742 HydrophobicContact CB-CZ3 3.44Å; V683-W742 VanDerWaalsContact CB-CZ3 3.44Å; V683-W742 HydrophobicContact CG1-CH2 4.43Å; V683-W742 HydrophobicContact CG2-CD2 4.13Å; V683-W742 HydrophobicContact CG2-CE3 3.65Å; V683-W742 HydrophobicContact CG2-CH2 3.46Å; V683-W742 VanDerWaalsContact CG2-CH2 3.46Å; V683-W742 HydrophobicContact CG2-CZ2 3.92Å; V683-W742 HydrophobicContact CG2-CZ3 3.31Å
684	L	86.4	Confident	87	Confident	63 Å²	63	42.8 Å²	42.8	33%	0.33	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	156.4	173.9	-64.1	174.3	0	0	0	111.9	S686 Y689 N722 V723	L684-S686 PolarHBondContact O-N 3.27Å; L684-Y689 HydrophobicContact CD2-CD2 4.34Å; L684-Y689 HydrophobicContact CD2-CE2 3.87Å; L684-N722 HydrophobicContact CD2-CB 3.69Å; L684-N722 HydrophobicContact CG-CB 3.93Å; L684-V723 PolarHBondContact N-O 2.79Å
685	D	81.4	Confident	86.9	Confident	65 Å²	65	40 Å²	40	35%	0.348	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.7	25.1	-178.5	-50.7	-27.7	0	0	0	115.1	K496	K496-D685 IonicContact NZ-OD2 3.4Å; K496-D685 PolarHBondContact NZ-OD2 2.94Å
686	S	85.5	Confident	86.9	Confident	8 Å²	8	38.5 Å²	38.5	6%	0.056	20%	0.2	C	C	.	.	S	Bend	trans	-103.6	156.7	-172.2	74.3	0	0	0	0	113.7	V683 L684 V688 Y689 D690	V683-S686 VanDerWaalsContact O-CB 3.27Å; V683-S686 WeakPolarHBondContact O-CB 3.25Å; V683-S686 PolarHBondContact O-OG 3.17Å; L684-S686 PolarHBondContact O-N 3.27Å; S686-V688 PolarHBondContact O-N 3.16Å; S686-Y689 WeakPolarHBondContact O-CB 3.41Å; S686-Y689 PolarHBondContact O-N 2.83Å; S686-Y689 VanDerWaalsContact O-N 3.08Å; S686-Y689 WeakPolarHBondContact OG-CB 3.43Å; S686-Y689 PolarHBondContact OG-N 3.15Å; S686-D690 PolarHBondContact O-N 3.31Å
687	A	85.3	Confident	86.8	Confident	17 Å²	17	39.6 Å²	39.6	14%	0.14	20%	0.2	C	C	.	.	H	α-helix	trans	-59.8	-28.2	174.9	0	0	0	0	0	112.7	Q691	A687-Q691 WeakPolarHBondContact O-CB 3.44Å; A687-Q691 PolarHBondContact O-N 3.02Å
688	V	88.5	Confident	86.4	Confident	4 Å²	4	33.6 Å²	33.6	2%	0.024	17%	0.174	C	C	.	.	H	α-helix	trans	-71.6	-45.8	173.7	-173.8	0	0	0	0	111	V546 T682 S686 Q691 V692 V741 W742	V546-V688 HydrophobicContact CG1-CG1 4.06Å; V546-V688 HydrophobicContact CG2-CG1 4.38Å; T682-V688 WeakPolarHBondContact OG1-CG1 3.42Å; S686-V688 PolarHBondContact O-N 3.16Å; V688-Q691 PolarHBondContact O-N 3.18Å; V688-V692 WeakPolarHBondContact O-CG2 3.39Å; V688-V692 PolarHBondContact O-N 3.49Å; V688-V741 HydrophobicContact CG1-CG1 4.1Å; V688-W742 HydrophobicContact CB-CE3 4.26Å; V688-W742 HydrophobicContact CB-CZ3 4.28Å; V688-W742 HydrophobicContact CG2-CE3 3.79Å; V688-W742 HydrophobicContact CG2-CZ3 3.94Å
689	Y	88.5	Confident	85.5	Confident	31 Å²	31	37 Å²	37	12%	0.122	20%	0.198	C	C	.	.	H	α-helix	trans	-58.7	-52.4	177.7	-176.7	-91.2	0	0	0	111.3	T682 L684 S686 Q691 V692 R693 W710 I713	T682-Y689 HydrophobicContact CG2-CD2 3.88Å; T682-Y689 HydrophobicContact CG2-CG 4.38Å; L684-Y689 HydrophobicContact CD2-CD2 4.34Å; L684-Y689 HydrophobicContact CD2-CE2 3.87Å; S686-Y689 WeakPolarHBondContact O-CB 3.41Å; S686-Y689 PolarHBondContact O-N 2.83Å; S686-Y689 VanDerWaalsContact O-N 3.08Å; S686-Y689 WeakPolarHBondContact OG-CB 3.43Å; S686-Y689 PolarHBondContact OG-N 3.15Å; Y689-Q691 PolarHBondContact O-N 3.38Å; Y689-V692 PolarHBondContact O-N 3.1Å; Y689-R693 VanDerWaalsContact O-CB 3.24Å; Y689-R693 WeakPolarHBondContact O-CB 3.37Å; Y689-R693 PolarHBondContact O-N 2.95Å; Y689-W710 HydrophobicContact CD2-CZ3 4.28Å; Y689-W710 AromaticContact CE1-CH2 3.93Å; Y689-W710 HydrophobicContact CE1-CH2 3.93Å; Y689-W710 HydrophobicContact CE1-CZ3 4.19Å; Y689-W710 HydrophobicContact CE2-CH2 4.09Å; Y689-W710 AromaticContact CE2-CZ3 3.91Å; Y689-W710 HydrophobicContact CE2-CZ3 3.91Å; Y689-W710 AromaticContact CZ-CH2 3.6Å; Y689-W710 AromaticContact CZ-CZ3 3.87Å; Y689-I713 HydrophobicContact CD2-CG2 4.27Å; Y689-I713 HydrophobicContact CE2-CG2 4.26Å
690	D	86.8	Confident	84.3	Confident	40 Å²	40	44.7 Å²	44.7	21%	0.214	23%	0.228	C	C	.	.	H	α-helix	trans	-72.5	-27.5	-179.2	-69.8	-48.7	0	0	0	112.8	S686 R693 S694	S686-D690 PolarHBondContact O-N 3.31Å; D690-R693 IonicContact OD1-NH1 3.51Å; D690-R693 PolarHBondContact OD1-NH1 3.16Å; D690-S694 VanDerWaalsContact O-CB 3.27Å; D690-S694 WeakPolarHBondContact O-CB 3.33Å; D690-S694 PolarHBondContact O-N 3.36Å; D690-S694 PolarHBondContact O-OG 2.87Å
691	Q	86.2	Confident	82.9	Confident	7 Å²	7	51.2 Å²	51.2	3%	0.033	26%	0.259	C	S	.	.	H	α-helix	trans	-64	-46.2	169.4	175.5	175.5	-15.5	0	0	112.3	Y544 A687 V688 Y689 S694 K695	Y544-Q691 VanDerWaalsContact CE1-OE1 3.31Å; Y544-Q691 PolarHBondContact OH-OE1 3.17Å; A687-Q691 WeakPolarHBondContact O-CB 3.44Å; A687-Q691 PolarHBondContact O-N 3.02Å; V688-Q691 PolarHBondContact O-N 3.18Å; Y689-Q691 PolarHBondContact O-N 3.38Å; Q691-S694 PolarHBondContact O-OG 3.15Å; Q691-K695 WeakPolarHBondContact O-CB 3.25Å; Q691-K695 PolarHBondContact O-N 3.49Å; Q691-K695 VanDerWaalsContact O-N 3.15Å
692	V	87.7	Confident	81.6	Confident	1 Å²	1	60.2 Å²	60.2	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-69.8	-40	178.1	177.8	0	0	0	0	110.6	V688 Y689 A696 Y706 M709 W710 I713	V688-V692 WeakPolarHBondContact O-CG2 3.39Å; V688-V692 PolarHBondContact O-N 3.49Å; Y689-V692 PolarHBondContact O-N 3.1Å; V692-A696 WeakPolarHBondContact O-CB 3.3Å; V692-A696 PolarHBondContact O-N 3.09Å; V692-Y706 HydrophobicContact CB-CD1 4.39Å; V692-Y706 HydrophobicContact CG1-CD1 4.25Å; V692-Y706 HydrophobicContact CG2-CD1 4.12Å; V692-Y706 HydrophobicContact CG2-CE1 4.3Å; V692-M709 HydrophobicContact CG1-CB 4.16Å; V692-W710 HydrophobicContact CG1-CB 4.13Å; V692-W710 HydrophobicContact CG1-CE3 4.39Å; V692-I713 HydrophobicContact CB-CD1 4.45Å; V692-I713 HydrophobicContact CG1-CD1 3.96Å; V692-I713 HydrophobicContact CG2-CD1 4.49Å
693	R	87.1	Confident	80.7	Confident	109 Å²	109	62.9 Å²	62.9	41%	0.411	31%	0.307	S	S	.	.	H	α-helix	trans	-59	-52.9	175.9	-177.6	-178.9	177.9	-171.9	3.3	112.5	Y689 D690 A696 M697 W710	Y689-R693 VanDerWaalsContact O-CB 3.24Å; Y689-R693 WeakPolarHBondContact O-CB 3.37Å; Y689-R693 PolarHBondContact O-N 2.95Å; D690-R693 IonicContact OD1-NH1 3.51Å; D690-R693 PolarHBondContact OD1-NH1 3.16Å; R693-A696 PolarHBondContact O-N 3.03Å; R693-M697 HydrophobicContact CG-CE 3.97Å; R693-M697 HydrophobicContact CG-SD 4.03Å; R693-M697 WeakPolarHBondContact O-CB 3.33Å; R693-M697 VanDerWaalsContact O-CG 3.3Å; R693-M697 WeakPolarHBondContact O-CG 3.45Å; R693-M697 PolarHBondContact O-N 2.71Å; R693-W710 HydrophobicContact CB-CD2 4.37Å; R693-W710 HydrophobicContact CB-CE3 3.95Å; R693-W710 HydrophobicContact CB-CH2 3.78Å; R693-W710 HydrophobicContact CB-CZ2 4.2Å; R693-W710 HydrophobicContact CB-CZ3 3.63Å; R693-W710 HydrophobicContact CG-CH2 3.67Å; R693-W710 HydrophobicContact CG-CZ2 3.75Å; R693-W710 HydrophobicContact CG-CZ3 4.08Å
694	S	84.2	Confident	80.3	Confident	41 Å²	41	66.1 Å²	66.1	29%	0.287	33%	0.328	S	S	.	.	H	α-helix	trans	-63.2	-51.7	-179.1	52.3	0	0	0	0	111.5	D690 Q691 A696 M697 N698	D690-S694 VanDerWaalsContact O-CB 3.27Å; D690-S694 WeakPolarHBondContact O-CB 3.33Å; D690-S694 PolarHBondContact O-N 3.36Å; D690-S694 PolarHBondContact O-OG 2.87Å; Q691-S694 PolarHBondContact O-OG 3.15Å; S694-A696 PolarHBondContact O-N 2.83Å; S694-M697 PolarHBondContact O-N 3.14Å; S694-N698 PolarHBondContact O-N 3.45Å; S694-N698 PolarHBondContact O-OD1 3.38Å
695	K	83.8	Confident	80.3	Confident	51 Å²	51	64.2 Å²	64.2	22%	0.222	32%	0.318	C	S	.	.	H	α-helix	trans	-59.6	-30.6	176.2	-71.4	-164.5	175.7	-164.4	0	113.3	Q691 Y706 D768	Q691-K695 WeakPolarHBondContact O-CB 3.25Å; Q691-K695 PolarHBondContact O-N 3.49Å; Q691-K695 VanDerWaalsContact O-N 3.15Å; K695-Y706 HydrophobicContact CB-CD1 4.1Å; K695-Y706 HydrophobicContact CB-CD2 4.06Å; K695-Y706 HydrophobicContact CB-CG 3.78Å; K695-Y706 HydrophobicContact CD-CD1 4.3Å; K695-Y706 HydrophobicContact CD-CD2 3.87Å; K695-Y706 HydrophobicContact CD-CE1 4.04Å; K695-Y706 HydrophobicContact CD-CE2 3.62Å; K695-Y706 HydrophobicContact CD-CG 4.22Å; K695-D768 IonicContact NZ-OD2 3.99Å; K695-D768 PolarHBondContact NZ-OD2 2.82Å
696	A	84.3	Confident	80.6	Confident	11 Å²	11	61.8 Å²	61.8	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-78.4	-26.4	175.4	0	0	0	0	0	114.6	V692 R693 S694 W710	V692-A696 WeakPolarHBondContact O-CB 3.3Å; V692-A696 PolarHBondContact O-N 3.09Å; R693-A696 PolarHBondContact O-N 3.03Å; S694-A696 PolarHBondContact O-N 2.83Å; A696-W710 HydrophobicContact CB-CB 3.34Å; A696-W710 HydrophobicContact CB-CG 3.7Å
697	M	80.3	Confident	80.7	Confident	107 Å²	107	63.3 Å²	63.3	53%	0.527	32%	0.315	S	S	.	.	H	α-helix	trans	-95.1	-21	-178.3	-69.8	-174.6	-178.6	0	0	113.7	R693 S694 P699 W710	R693-M697 HydrophobicContact CG-CE 3.97Å; R693-M697 HydrophobicContact CG-SD 4.03Å; R693-M697 WeakPolarHBondContact O-CB 3.33Å; R693-M697 VanDerWaalsContact O-CG 3.3Å; R693-M697 WeakPolarHBondContact O-CG 3.45Å; R693-M697 PolarHBondContact O-N 2.71Å; S694-M697 PolarHBondContact O-N 3.14Å; M697-P699 WeakPolarHBondContact O-CD 3.29Å; M697-W710 HydrophobicContact CE-CZ2 3.85Å
698	N	76.7	Confident	80.8	Confident	61 Å²	61	65.5 Å²	65.5	33%	0.326	32%	0.322	S	S	.	.			trans	-57.5	119.6	-179.5	-81	-9	0	0	0	112.3	S694 F700	S694-N698 PolarHBondContact O-N 3.45Å; S694-N698 PolarHBondContact O-OD1 3.38Å; N698-F700 VanDerWaalsContact C-N 3.3Å; N698-F700 PolarHBondContact O-N 2.84Å
699	P	68.2	Low	80.8	Confident	108 Å²	108	65.4 Å²	65.4	70%	0.701	32%	0.321	S	S	*	.	S	Bend	trans	-68.1	-26.6	179.3	-23.1	35	0	0	0	114.2	M697	M697-P699 WeakPolarHBondContact O-CD 3.29Å
700	F	64.8	Low	80.9	Confident	201 Å²	201	65.1 Å²	65.1	88%	0.882	32%	0.32	S	S	*	.	S	Bend	trans	-92.6	-31.1	-171.8	-57.4	-78.6	0	0	0	113.6	N698	N698-F700 VanDerWaalsContact C-N 3.3Å; N698-F700 PolarHBondContact O-N 2.84Å
701	E	61.5	Low	81	Confident	139 Å²	139	71.4 Å²	71.4	65%	0.65	34%	0.341	S	S	*	.	S	Bend	trans	-117.6	54.6	-177.6	-66.7	-168.9	130.8	0	0	111.3	D703	E701-D703 VanDerWaalsContact C-N 3.3Å; E701-D703 PolarHBondContact O-N 3.31Å
702	R	63.1	Low	81	Confident	190 Å²	190	71.8 Å²	71.8	72%	0.717	34%	0.343	S	S	*	.			trans	-80.7	72.4	-170	-159.6	-179.1	-163.9	173.7	6.9	113.2	P704	R702-P704 WeakPolarHBondContact O-CD 3.44Å
703	D	73.8	Confident	81.1	Confident	56 Å²	56	71.8 Å²	71.8	30%	0.299	34%	0.343	S	S	.	.			trans	-61.2	121.2	172.3	-179	-6.8	0	0	0	110.5	E701 M705 Y706 S707	E701-D703 VanDerWaalsContact C-N 3.3Å; E701-D703 PolarHBondContact O-N 3.31Å; D703-M705 PolarHBondContact O-N 3.14Å; D703-M705 VanDerWaalsContact OD1-CB 3.27Å; D703-M705 WeakPolarHBondContact OD1-CB 3.33Å; D703-M705 PolarHBondContact OD1-N 3.25Å; D703-Y706 HydrophobicContact CB-CD2 3.97Å; D703-Y706 WeakPolarHBondContact OD2-CD2 3.45Å; D703-Y706 WeakPolarHBondContact OD2-CE2 3.32Å; D703-S707 PolarHBondContact O-N 2.97Å
704	P	83.1	Confident	81.2	Confident	78 Å²	78	69.7 Å²	69.7	51%	0.506	34%	0.34	S	S	.	.	H	α-helix	trans	-58	-31.8	177	24.1	-34.3	0	0	0	113	R702 S707 Q708	R702-P704 WeakPolarHBondContact O-CD 3.44Å; P704-S707 WeakPolarHBondContact CA-OG 3.32Å; P704-S707 PolarHBondContact O-N 3.43Å; P704-S707 PolarHBondContact O-OG 3.36Å; P704-Q708 WeakPolarHBondContact O-CB 3.47Å; P704-Q708 VanDerWaalsContact O-CG 3.26Å; P704-Q708 WeakPolarHBondContact O-CG 3.1Å; P704-Q708 PolarHBondContact O-N 2.99Å
705	M	86.4	Confident	81.2	Confident	24 Å²	24	74.1 Å²	74.1	12%	0.118	35%	0.35	C	S	.	.	H	α-helix	trans	-61.4	-59.6	179.7	-177	-175.3	70.6	0	0	111.4	L669 Q670 D703 S707 Q708 M709	L669-M705 HydrophobicContact CB-SD 3.78Å; Q670-M705 HydrophobicContact CB-SD 4.07Å; Q670-M705 HydrophobicContact CG-CB 4.46Å; Q670-M705 HydrophobicContact CG-CG 4.41Å; Q670-M705 HydrophobicContact CG-SD 4.34Å; D703-M705 PolarHBondContact O-N 3.14Å; D703-M705 VanDerWaalsContact OD1-CB 3.27Å; D703-M705 WeakPolarHBondContact OD1-CB 3.33Å; D703-M705 PolarHBondContact OD1-N 3.25Å; M705-S707 VanDerWaalsContact C-N 3.25Å; M705-S707 PolarHBondContact O-N 3.44Å; M705-Q708 PolarHBondContact O-N 3.39Å; M705-Q708 VanDerWaalsContact O-N 3.11Å; M705-M709 HydrophobicContact CG-SD 4.04Å; M705-M709 WeakPolarHBondContact O-CG 3.3Å; M705-M709 PolarHBondContact O-N 3.27Å
706	Y	87.2	Confident	81	Confident	13 Å²	13	76.2 Å²	76.2	5%	0.051	37%	0.367	C	S	.	.	H	α-helix	trans	-60.5	-35.8	178.4	-70.9	-80.3	0	0	0	111.8	V692 K695 D703 Q708 M709 W710	V692-Y706 HydrophobicContact CB-CD1 4.39Å; V692-Y706 HydrophobicContact CG1-CD1 4.25Å; V692-Y706 HydrophobicContact CG2-CD1 4.12Å; V692-Y706 HydrophobicContact CG2-CE1 4.3Å; K695-Y706 HydrophobicContact CB-CD1 4.1Å; K695-Y706 HydrophobicContact CB-CD2 4.06Å; K695-Y706 HydrophobicContact CB-CG 3.78Å; K695-Y706 HydrophobicContact CD-CD1 4.3Å; K695-Y706 HydrophobicContact CD-CD2 3.87Å; K695-Y706 HydrophobicContact CD-CE1 4.04Å; K695-Y706 HydrophobicContact CD-CE2 3.62Å; K695-Y706 HydrophobicContact CD-CG 4.22Å; D703-Y706 HydrophobicContact CB-CD2 3.97Å; D703-Y706 WeakPolarHBondContact OD2-CD2 3.45Å; D703-Y706 WeakPolarHBondContact OD2-CE2 3.32Å; Y706-Q708 VanDerWaalsContact C-N 3.35Å; Y706-Q708 PolarHBondContact O-N 2.94Å; Y706-M709 PolarHBondContact O-N 2.95Å; Y706-W710 WeakPolarHBondContact O-CB 3.3Å; Y706-W710 PolarHBondContact O-N 2.93Å
707	S	87.3	Confident	80.4	Confident	41 Å²	41	78.7 Å²	78.7	29%	0.287	39%	0.394	S	S	.	.	H	α-helix	trans	-64.1	-36.4	176.2	84.4	0	0	0	0	113.4	D703 P704 M705 R711	D703-S707 PolarHBondContact O-N 2.97Å; P704-S707 WeakPolarHBondContact CA-OG 3.32Å; P704-S707 PolarHBondContact O-N 3.43Å; P704-S707 PolarHBondContact O-OG 3.36Å; M705-S707 VanDerWaalsContact C-N 3.25Å; M705-S707 PolarHBondContact O-N 3.44Å; S707-R711 PolarHBondContact O-N 3.41Å
708	Q	87.9	Confident	80.2	Confident	63 Å²	63	73.7 Å²	73.7	29%	0.294	37%	0.37	S	S	.	.	H	α-helix	trans	-73.7	-42.6	175.3	-73.4	169	1.5	0	0	111.2	S673 P704 M705 Y706 R711 M712	S673-Q708 PolarHBondContact O-OE1 3.09Å; S673-Q708 PolarHBondContact OG-OE1 2.81Å; P704-Q708 WeakPolarHBondContact O-CB 3.47Å; P704-Q708 VanDerWaalsContact O-CG 3.26Å; P704-Q708 WeakPolarHBondContact O-CG 3.1Å; P704-Q708 PolarHBondContact O-N 2.99Å; M705-Q708 PolarHBondContact O-N 3.39Å; M705-Q708 VanDerWaalsContact O-N 3.11Å; Y706-Q708 VanDerWaalsContact C-N 3.35Å; Y706-Q708 PolarHBondContact O-N 2.94Å; Q708-R711 WeakPolarHBondContact O-CB 3.1Å; Q708-R711 PolarHBondContact O-N 3.01Å; Q708-M712 PolarHBondContact O-N 3.29Å
709	M	88.8	Confident	80	Confident	1 Å²	1	74.7 Å²	74.7	1%	0.005	39%	0.386	C	S	.	.	H	α-helix	trans	-60.5	-48.8	176.4	-69.2	177.2	73.7	0	0	111.5	L669 Y680 V692 M705 Y706 R711 M712 I713 V741	L669-M709 HydrophobicContact CD2-CE 4.4Å; Y680-M709 HydrophobicContact CE2-CB 4.06Å; Y680-M709 HydrophobicContact CE2-CG 4.06Å; Y680-M709 WeakPolarHBondContact OH-CA 3.29Å; V692-M709 HydrophobicContact CG1-CB 4.16Å; M705-M709 HydrophobicContact CG-SD 4.04Å; M705-M709 WeakPolarHBondContact O-CG 3.3Å; M705-M709 PolarHBondContact O-N 3.27Å; Y706-M709 PolarHBondContact O-N 2.95Å; M709-R711 VanDerWaalsContact C-N 3.28Å; M709-R711 PolarHBondContact O-N 2.97Å; M709-M712 PolarHBondContact O-N 3.22Å; M709-I713 WeakPolarHBondContact O-CG1 3.5Å; M709-I713 PolarHBondContact O-N 2.86Å; M709-V741 HydrophobicContact CE-CG1 4.15Å; M709-V741 HydrophobicContact CE-CG2 4.35Å
710	W	89.6	Confident	80.4	Confident	26 Å²	26	74.6 Å²	74.6	10%	0.098	38%	0.38	C	S	.	.	H	α-helix	trans	-60.1	-36.4	177.3	-178.6	-114.3	0	0	0	112.7	Y689 V692 R693 A696 M697 Y706 M712 I713 N714	Y689-W710 HydrophobicContact CD2-CZ3 4.28Å; Y689-W710 AromaticContact CE1-CH2 3.93Å; Y689-W710 HydrophobicContact CE1-CH2 3.93Å; Y689-W710 HydrophobicContact CE1-CZ3 4.19Å; Y689-W710 HydrophobicContact CE2-CH2 4.09Å; Y689-W710 AromaticContact CE2-CZ3 3.91Å; Y689-W710 HydrophobicContact CE2-CZ3 3.91Å; Y689-W710 AromaticContact CZ-CH2 3.6Å; Y689-W710 AromaticContact CZ-CZ3 3.87Å; V692-W710 HydrophobicContact CG1-CB 4.13Å; V692-W710 HydrophobicContact CG1-CE3 4.39Å; R693-W710 HydrophobicContact CB-CD2 4.37Å; R693-W710 HydrophobicContact CB-CE3 3.95Å; R693-W710 HydrophobicContact CB-CH2 3.78Å; R693-W710 HydrophobicContact CB-CZ2 4.2Å; R693-W710 HydrophobicContact CB-CZ3 3.63Å; R693-W710 HydrophobicContact CG-CH2 3.67Å; R693-W710 HydrophobicContact CG-CZ2 3.75Å; R693-W710 HydrophobicContact CG-CZ3 4.08Å; A696-W710 HydrophobicContact CB-CB 3.34Å; A696-W710 HydrophobicContact CB-CG 3.7Å; M697-W710 HydrophobicContact CE-CZ2 3.85Å; Y706-W710 WeakPolarHBondContact O-CB 3.3Å; Y706-W710 PolarHBondContact O-N 2.93Å; W710-M712 PolarHBondContact O-N 3.04Å; W710-I713 HydrophobicContact CE3-CB 4.43Å; W710-I713 HydrophobicContact CE3-CG2 4.11Å; W710-I713 HydrophobicContact CZ3-CG2 4.08Å; W710-I713 PolarHBondContact O-N 3.3Å; W710-N714 HydrophobicContact CD2-CB 4.12Å; W710-N714 HydrophobicContact CE3-CB 4.47Å; W710-N714 HydrophobicContact CH2-CB 4.18Å; W710-N714 HydrophobicContact CZ2-CB 3.79Å; W710-N714 HydrophobicContact CZ3-CB 4.5Å; W710-N714 VanDerWaalsContact O-CB 3.28Å; W710-N714 WeakPolarHBondContact O-CB 3.18Å; W710-N714 PolarHBondContact O-N 3.37Å
711	R	88.4	Confident	81.4	Confident	171 Å²	171	65.9 Å²	65.9	65%	0.645	34%	0.343	S	S	*	.	H	α-helix	trans	-63.4	-27.3	174.9	-172.7	-177.8	64.8	160	-0.2	113	S707 Q708 M709	S707-R711 PolarHBondContact O-N 3.41Å; Q708-R711 WeakPolarHBondContact O-CB 3.1Å; Q708-R711 PolarHBondContact O-N 3.01Å; M709-R711 VanDerWaalsContact C-N 3.28Å; M709-R711 PolarHBondContact O-N 2.97Å
712	M	87.9	Confident	82.7	Confident	16 Å²	16	59.5 Å²	59.5	8%	0.079	31%	0.313	C	S	.	.	H	α-helix	trans	-86.6	-43.6	173.8	-162.1	63.3	168.2	0	0	111.8	P679 Y680 Q708 M709 W710 N714 R715 N721	P679-M712 HydrophobicContact CB-CE 4Å; Y680-M712 HydrophobicContact CD1-CG 4.35Å; Y680-M712 HydrophobicContact CD2-CB 4.48Å; Y680-M712 HydrophobicContact CE1-CB 4.26Å; Y680-M712 HydrophobicContact CE1-CG 4.04Å; Y680-M712 HydrophobicContact CE2-CB 3.81Å; Y680-M712 HydrophobicContact CE2-CG 4.23Å; Q708-M712 PolarHBondContact O-N 3.29Å; M709-M712 PolarHBondContact O-N 3.22Å; W710-M712 PolarHBondContact O-N 3.04Å; M712-N714 VanDerWaalsContact C-N 3.34Å; M712-N714 PolarHBondContact O-N 2.86Å; M712-R715 WeakPolarHBondContact O-CB 3.37Å; M712-R715 PolarHBondContact O-N 2.86Å; M712-R715 VanDerWaalsContact O-N 3.13Å; M712-N721 PolarHBondContact O-ND2 2.9Å
713	I	89.9	Confident	84	Confident	0 Å²	0	50.6 Å²	50.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-62.6	-38.1	179.2	-69.5	174.4	0	0	0	112	Y680 T682 Y689 V692 M709 W710 G718 N722	Y680-I713 HydrophobicContact CD2-CG1 4.26Å; Y680-I713 HydrophobicContact CE2-CG1 4.39Å; T682-I713 HydrophobicContact CG2-CG2 4.41Å; Y689-I713 HydrophobicContact CD2-CG2 4.27Å; Y689-I713 HydrophobicContact CE2-CG2 4.26Å; V692-I713 HydrophobicContact CB-CD1 4.45Å; V692-I713 HydrophobicContact CG1-CD1 3.96Å; V692-I713 HydrophobicContact CG2-CD1 4.49Å; M709-I713 WeakPolarHBondContact O-CG1 3.5Å; M709-I713 PolarHBondContact O-N 2.86Å; W710-I713 HydrophobicContact CE3-CB 4.43Å; W710-I713 HydrophobicContact CE3-CG2 4.11Å; W710-I713 HydrophobicContact CZ3-CG2 4.08Å; W710-I713 PolarHBondContact O-N 3.3Å; I713-G718 WeakPolarHBondContact O-CA 3.29Å; I713-N722 PolarHBondContact O-ND2 3.19Å
714	N	87.9	Confident	84.6	Confident	65 Å²	65	55.9 Å²	55.9	35%	0.348	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	16.3	176.5	-167.9	31	0	0	0	112.9	W710 M712 G717	W710-N714 HydrophobicContact CD2-CB 4.12Å; W710-N714 HydrophobicContact CE3-CB 4.47Å; W710-N714 HydrophobicContact CH2-CB 4.18Å; W710-N714 HydrophobicContact CZ2-CB 3.79Å; W710-N714 HydrophobicContact CZ3-CB 4.5Å; W710-N714 VanDerWaalsContact O-CB 3.28Å; W710-N714 WeakPolarHBondContact O-CB 3.18Å; W710-N714 PolarHBondContact O-N 3.37Å; M712-N714 VanDerWaalsContact C-N 3.34Å; M712-N714 PolarHBondContact O-N 2.86Å; N714-G717 PolarHBondContact O-N 3.46Å
715	R	83.9	Confident	84.7	Confident	135 Å²	135	57.7 Å²	57.7	51%	0.509	30%	0.304	S	S	.	.	G	3₁₀ helix	trans	-60.8	141.8	168	-170.7	171.3	-179.7	166.3	-2.6	108.7	M712 G717 G718	M712-R715 WeakPolarHBondContact O-CB 3.37Å; M712-R715 PolarHBondContact O-N 2.86Å; M712-R715 VanDerWaalsContact O-N 3.13Å; R715-G717 PolarHBondContact O-N 2.71Å; R715-G718 PolarHBondContact O-N 2.85Å
716	T	80.1	Confident	84.9	Confident	95 Å²	95	57.4 Å²	57.4	58%	0.583	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	51.7	28.7	-178.9	32.8	0	0	0	0	114.5	G718 D720	T716-G718 VanDerWaalsContact C-N 3.27Å; T716-G718 PolarHBondContact O-N 3.42Å; T716-D720 WeakPolarHBondContact CB-OD2 3.28Å; T716-D720 PolarHBondContact OG1-OD2 3.47Å
717	G	71.9	Confident	84.9	Confident	62 Å²	62	64 Å²	64	64%	0.639	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	76.2	12.5	-177.8	0	0	0	0	0	114.2	N714 R715 A719	N714-G717 PolarHBondContact O-N 3.46Å; R715-G717 PolarHBondContact O-N 2.71Å; G717-A719 VanDerWaalsContact C-N 3.34Å; G717-A719 PolarHBondContact O-N 3.31Å
718	G	75.1	Confident	85.1	Confident	3 Å²	3	64.9 Å²	64.9	3%	0.031	33%	0.329	C	S	.	.	G	3₁₀ helix	trans	84.8	-5.4	177.1	0	0	0	0	0	115.7	I713 R715 T716 N722	I713-G718 WeakPolarHBondContact O-CA 3.29Å; R715-G718 PolarHBondContact O-N 2.85Å; T716-G718 VanDerWaalsContact C-N 3.27Å; T716-G718 PolarHBondContact O-N 3.42Å; G718-N722 VanDerWaalsContact CA-ND2 3.34Å; G718-N722 WeakPolarHBondContact CA-ND2 3.44Å; G718-N722 WeakPolarHBondContact O-CB 3.38Å; G718-N722 PolarHBondContact O-N 3.14Å; G718-N722 PolarHBondContact O-ND2 2.73Å
719	A	72.3	Confident	85.2	Confident	81 Å²	81	61.9 Å²	61.9	67%	0.669	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-39.6	-174.6	0	0	0	0	0	113.9	G717	G717-A719 VanDerWaalsContact C-N 3.34Å; G717-A719 PolarHBondContact O-N 3.31Å
720	D	77.1	Confident	85.3	Confident	107 Å²	107	63.4 Å²	63.4	57%	0.572	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-40.2	-175.5	-58.3	-47.7	0	0	0	112.7	T716	T716-D720 WeakPolarHBondContact CB-OD2 3.28Å; T716-D720 PolarHBondContact OG1-OD2 3.47Å
721	N	85.5	Confident	85.4	Confident	17 Å²	17	68.7 Å²	68.7	9%	0.091	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-28.5	-168.5	-75.8	-22.9	0	0	0	113.8	G681 M712 F738	G681-N721 WeakPolarHBondContact CA-O 3.3Å; M712-N721 PolarHBondContact O-ND2 2.9Å; N721-F738 VanDerWaalsContact O-CE2 3.26Å; N721-F738 WeakPolarHBondContact O-CE2 3.4Å; N721-F738 WeakPolarHBondContact O-CZ 3.4Å
722	N	89.9	Confident	85.5	Confident	6 Å²	6	63 Å²	63	3%	0.032	32%	0.323	C	S	.	.			trans	-88.8	179.1	-176.6	-60.8	-59.5	0	0	0	112.2	T682 L684 I713 G718 K732	T682-N722 PolarHBondContact N-OD1 2.58Å; T682-N722 VanDerWaalsContact O-CA 3.24Å; T682-N722 WeakPolarHBondContact O-CA 3.44Å; T682-N722 WeakPolarHBondContact O-CB 3.23Å; T682-N722 PolarHBondContact O-OD1 3.46Å; L684-N722 HydrophobicContact CD2-CB 3.69Å; L684-N722 HydrophobicContact CG-CB 3.93Å; I713-N722 PolarHBondContact O-ND2 3.19Å; G718-N722 VanDerWaalsContact CA-ND2 3.34Å; G718-N722 WeakPolarHBondContact CA-ND2 3.44Å; G718-N722 WeakPolarHBondContact O-CB 3.38Å; G718-N722 PolarHBondContact O-N 3.14Å; G718-N722 PolarHBondContact O-ND2 2.73Å; N722-K732 PolarHBondContact O-NZ 3Å
723	V	90.3	Very high	85.7	Confident	3 Å²	3	62.2 Å²	62.2	2%	0.018	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-141.4	162.4	-179.2	-70.5	0	0	0	0	110.8	T682 V683 L684 E725 E728 K732 F740	T682-V723 PolarHBondContact O-N 3.24Å; V683-V723 WeakPolarHBondContact CA-O 3.25Å; V683-V723 HydrophobicContact CB-CG2 4.38Å; V683-V723 HydrophobicContact CG2-CG2 3.88Å; L684-V723 PolarHBondContact N-O 2.79Å; V723-E725 WeakPolarHBondContact CG2-O 3.25Å; V723-E728 HydrophobicContact CB-CB 4.24Å; V723-E728 HydrophobicContact CG1-CB 4.18Å; V723-E728 VanDerWaalsContact CG1-OE2 3.3Å; V723-E728 WeakPolarHBondContact CG1-OE2 3.43Å; V723-K732 HydrophobicContact CG1-CD 3.67Å; V723-F740 HydrophobicContact CG2-CE2 3.82Å
724	E	85.5	Confident	85.7	Confident	167 Å²	167	64.4 Å²	64.4	78%	0.78	33%	0.328	S	S	*	.	S	Bend	trans	-91.6	-25.6	175.4	-63.2	-171.2	162.2	0	0	113.1	V683	V683-E724 WeakPolarHBondContact CG1-O 3.36Å
725	E	86.3	Confident	85.7	Confident	116 Å²	116	70.2 Å²	70.2	54%	0.542	35%	0.347	S	S	.	.	S	Bend	trans	-131.9	149.9	176.1	-70.2	-171.6	-175.8	0	0	112.1	V723 R727 E728 G729	V723-E725 WeakPolarHBondContact CG2-O 3.25Å; E725-R727 VanDerWaalsContact C-N 3.31Å; E725-R727 PolarHBondContact O-N 3.31Å; E725-E728 WeakPolarHBondContact O-CB 3.18Å; E725-E728 PolarHBondContact O-N 3.16Å; E725-E728 VanDerWaalsContact O-N 3.07Å; E725-G729 PolarHBondContact O-N 2.92Å
726	S	89.3	Confident	85.8	Confident	17 Å²	17	65.4 Å²	65.4	12%	0.119	34%	0.339	C	S	.	.	H	α-helix	trans	-59.4	-39.3	176.2	57.2	0	0	0	0	112.8	E451 E728 G729 I730 F740	E451-S726 VanDerWaalsContact OE1-CB 3.28Å; E451-S726 WeakPolarHBondContact OE1-CB 3.35Å; E451-S726 PolarHBondContact OE1-OG 3.44Å; S726-E728 VanDerWaalsContact C-N 3.27Å; S726-E728 PolarHBondContact O-N 2.9Å; S726-G729 PolarHBondContact O-N 3.01Å; S726-G729 VanDerWaalsContact O-N 3.12Å; S726-I730 WeakPolarHBondContact O-CG1 3.44Å; S726-I730 PolarHBondContact O-N 3.16Å; S726-F740 WeakPolarHBondContact O-CE1 3.18Å
727	R	88.8	Confident	86.1	Confident	152 Å²	152	71.8 Å²	71.8	57%	0.574	35%	0.353	S	S	*	.	H	α-helix	trans	-57.1	-35.6	173.3	-72.6	173.8	166.8	175.3	-5.9	113.3	E452 E725 R731	E452-R727 IonicContact OE1-CZ 3.04Å; E452-R727 IonicContact OE1-NE 2.67Å; E452-R727 IonicContact OE1-NH2 3.5Å; E452-R727 PolarHBondContact OE1-NH2 3.43Å; E725-R727 VanDerWaalsContact C-N 3.31Å; E725-R727 PolarHBondContact O-N 3.31Å; R727-R731 WeakPolarHBondContact O-CB 3.41Å; R727-R731 PolarHBondContact O-N 2.86Å; R727-R731 VanDerWaalsContact O-N 3.11Å
728	E	90.2	Very high	87	Confident	60 Å²	60	69.7 Å²	69.7	28%	0.28	33%	0.326	S	S	.	.	H	α-helix	trans	-72.4	-37.1	177.6	-148.8	-127.8	144.5	0	0	111.3	V723 E725 S726 R731 K732	V723-E728 HydrophobicContact CB-CB 4.24Å; V723-E728 HydrophobicContact CG1-CB 4.18Å; V723-E728 VanDerWaalsContact CG1-OE2 3.3Å; V723-E728 WeakPolarHBondContact CG1-OE2 3.43Å; E725-E728 WeakPolarHBondContact O-CB 3.18Å; E725-E728 PolarHBondContact O-N 3.16Å; E725-E728 VanDerWaalsContact O-N 3.07Å; S726-E728 VanDerWaalsContact C-N 3.27Å; S726-E728 PolarHBondContact O-N 2.9Å; E728-R731 PolarHBondContact O-N 3.49Å; E728-R731 IonicContact OE1-NH2 2.64Å; E728-R731 PolarHBondContact OE1-NH2 3.04Å; E728-K732 WeakPolarHBondContact O-CG 3.45Å; E728-K732 PolarHBondContact O-N 3.46Å; E728-K732 WeakPolarHBondContact OE1-CE 3.39Å
729	G	90.6	Very high	87.8	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-59.1	-49.8	172.8	0	0	0	0	0	112.3	E725 S726 R731 K732 V733	E725-G729 PolarHBondContact O-N 2.92Å; S726-G729 PolarHBondContact O-N 3.01Å; S726-G729 VanDerWaalsContact O-N 3.12Å; G729-R731 VanDerWaalsContact C-N 3.31Å; G729-R731 PolarHBondContact O-N 3.02Å; G729-K732 WeakPolarHBondContact O-CB 3.49Å; G729-K732 PolarHBondContact O-N 2.89Å; G729-K732 VanDerWaalsContact O-N 3.11Å; G729-V733 PolarHBondContact O-N 2.76Å; G729-V733 VanDerWaalsContact O-N 3.11Å
730	I	91.5	Very high	88.8	Confident	32 Å²	32	65.7 Å²	65.7	16%	0.164	29%	0.293	C	S	.	.	H	α-helix	trans	-57.6	-44.4	175.8	-63.4	158.3	0	0	0	110.9	L549 S726 K732 V733 K734 F740 V750	L549-I730 HydrophobicContact CD2-CG1 4.21Å; L549-I730 HydrophobicContact CD2-CG2 4.27Å; S726-I730 WeakPolarHBondContact O-CG1 3.44Å; S726-I730 PolarHBondContact O-N 3.16Å; I730-K732 PolarHBondContact O-N 3.04Å; I730-V733 PolarHBondContact O-N 2.98Å; I730-V733 VanDerWaalsContact O-N 3.12Å; I730-K734 PolarHBondContact O-N 2.83Å; I730-F740 HydrophobicContact CG1-CD1 4.14Å; I730-F740 HydrophobicContact CG1-CE1 4.21Å; I730-V750 HydrophobicContact CD1-CG1 4.2Å; I730-V750 HydrophobicContact CD1-CG2 3.72Å; I730-V750 HydrophobicContact CG1-CG1 4.27Å; I730-V750 HydrophobicContact CG2-CG1 3.78Å
731	R	91.3	Very high	89.6	Confident	137 Å²	137	60.6 Å²	60.6	52%	0.517	27%	0.266	S	S	.	.	H	α-helix	trans	-62.4	-38.1	176.2	-171.2	-174.2	66.1	88.3	4.9	112.6	R727 E728 G729 V733 K734 Y735	R727-R731 WeakPolarHBondContact O-CB 3.41Å; R727-R731 PolarHBondContact O-N 2.86Å; R727-R731 VanDerWaalsContact O-N 3.11Å; E728-R731 PolarHBondContact O-N 3.49Å; E728-R731 IonicContact OE1-NH2 2.64Å; E728-R731 PolarHBondContact OE1-NH2 3.04Å; G729-R731 VanDerWaalsContact C-N 3.31Å; G729-R731 PolarHBondContact O-N 3.02Å; R731-V733 VanDerWaalsContact C-N 3.32Å; R731-V733 PolarHBondContact O-N 3.16Å; R731-K734 PolarHBondContact O-N 3.3Å; R731-Y735 HydrophobicContact CG-CD2 4.01Å; R731-Y735 HydrophobicContact CG-CE2 4.21Å; R731-Y735 WeakPolarHBondContact O-CD2 3.39Å; R731-Y735 PolarHBondContact O-N 3.43Å
732	K	91.2	Very high	89.9	Confident	52 Å²	52	60.6 Å²	60.6	23%	0.226	26%	0.264	C	S	.	.	H	α-helix	trans	-62.5	-35.7	172.9	-74.2	-177	-177	-178.9	0	111.7	N722 V723 E728 G729 I730 G736 F738	N722-K732 PolarHBondContact O-NZ 3Å; V723-K732 HydrophobicContact CG1-CD 3.67Å; E728-K732 WeakPolarHBondContact O-CG 3.45Å; E728-K732 PolarHBondContact O-N 3.46Å; E728-K732 WeakPolarHBondContact OE1-CE 3.39Å; G729-K732 WeakPolarHBondContact O-CB 3.49Å; G729-K732 PolarHBondContact O-N 2.89Å; G729-K732 VanDerWaalsContact O-N 3.11Å; I730-K732 PolarHBondContact O-N 3.04Å; K732-G736 VanDerWaalsContact O-CA 3.25Å; K732-G736 WeakPolarHBondContact O-CA 3.28Å; K732-G736 PolarHBondContact O-N 3.4Å; K732-F738 HydrophobicContact CB-CB 4.4Å; K732-F738 HydrophobicContact CB-CD1 3.67Å; K732-F738 HydrophobicContact CB-CE1 4.18Å; K732-F738 HydrophobicContact CB-CG 4.17Å; K732-F738 HydrophobicContact CD-CE1 4.44Å
733	V	91.8	Very high	90	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-72.7	-40.3	174.5	-173.1	0	0	0	0	112.3	L549 R551 G729 I730 R731 Y735 F738 F740 F759	L549-V733 HydrophobicContact CD2-CB 4.4Å; L549-V733 HydrophobicContact CD2-CG1 4.49Å; L549-V733 HydrophobicContact CD2-CG2 4.44Å; L549-V733 HydrophobicContact CG-CG1 4.36Å; R551-V733 HydrophobicContact CB-CG1 4.33Å; G729-V733 PolarHBondContact O-N 2.76Å; G729-V733 VanDerWaalsContact O-N 3.11Å; I730-V733 PolarHBondContact O-N 2.98Å; I730-V733 VanDerWaalsContact O-N 3.12Å; R731-V733 VanDerWaalsContact C-N 3.32Å; R731-V733 PolarHBondContact O-N 3.16Å; V733-Y735 PolarHBondContact O-N 3.08Å; V733-F738 HydrophobicContact CG2-CD1 3.97Å; V733-F740 HydrophobicContact CG2-CB 3.47Å; V733-F740 VanDerWaalsContact CG2-CB 3.47Å; V733-F759 HydrophobicContact CB-CE1 4.16Å; V733-F759 HydrophobicContact CG1-CD1 3.91Å; V733-F759 HydrophobicContact CG1-CE1 3.8Å
734	K	88.7	Confident	90	Very high	46 Å²	46	61.2 Å²	61.2	20%	0.2	27%	0.269	C	S	.	.	H	α-helix	trans	-64.1	-44	-177.7	-159.2	157.3	-175.3	166.2	0	112.3	R551 I730 R731 D754 D756 F759	R551-K734 PolarHBondContact NH1-O 2.98Å; I730-K734 PolarHBondContact O-N 2.83Å; R731-K734 PolarHBondContact O-N 3.3Å; K734-D754 IonicContact NZ-OD1 2.73Å; K734-D754 PolarHBondContact NZ-OD1 3.45Å; K734-D754 IonicContact NZ-OD2 2.69Å; K734-D756 VanDerWaalsContact CE-OD2 3.25Å; K734-D756 WeakPolarHBondContact CE-OD2 3.16Å; K734-D756 IonicContact NZ-OD2 3.93Å; K734-D756 PolarHBondContact NZ-OD2 3.47Å; K734-F759 HydrophobicContact CB-CE1 4.14Å; K734-F759 HydrophobicContact CB-CZ 3.76Å; K734-F759 HydrophobicContact CD-CE2 4.44Å; K734-F759 HydrophobicContact CD-CZ 3.94Å; K734-F759 HydrophobicContact CG-CE1 4.41Å; K734-F759 HydrophobicContact CG-CZ 3.86Å
735	Y	88.6	Confident	90.2	Very high	186 Å²	186	53.6 Å²	53.6	73%	0.729	24%	0.235	S	C	*	.	H	α-helix	trans	-104.3	-10.6	-173.4	-60.3	-73.1	0	0	0	115.1	R731 V733	R731-Y735 HydrophobicContact CG-CD2 4.01Å; R731-Y735 HydrophobicContact CG-CE2 4.21Å; R731-Y735 WeakPolarHBondContact O-CD2 3.39Å; R731-Y735 PolarHBondContact O-N 3.43Å; V733-Y735 PolarHBondContact O-N 3.08Å
736	G	85.6	Confident	90.5	Very high	35 Å²	35	48.3 Å²	48.3	36%	0.361	21%	0.21	S	C	.	.	S	Bend	trans	-123.9	169	-175	0	0	0	0	0	113.8	K732 F738	K732-G736 VanDerWaalsContact O-CA 3.25Å; K732-G736 WeakPolarHBondContact O-CA 3.28Å; K732-G736 PolarHBondContact O-N 3.4Å; G736-F738 PolarHBondContact O-N 2.84Å
737	R	86.9	Confident	90.6	Very high	229 Å²	229	47.5 Å²	47.5	86%	0.864	21%	0.205	S	C	*	.	S	Bend	trans	-86.9	81	167.7	-68.4	-177.1	178.8	-176.6	-1.7	108.7	L678 P679	L678-R737 HydrophobicContact CD1-CB 4.27Å; P679-R737 WeakPolarHBondContact CD-O 3.36Å; P679-R737 VanDerWaalsContact CG-O 3.3Å; P679-R737 WeakPolarHBondContact CG-O 3.43Å
738	F	90.3	Very high	90.7	Very high	18 Å²	18	42.5 Å²	42.5	8%	0.079	19%	0.188	C	C	.	.			trans	-143.1	147	-176.8	-179.1	-105.9	0	0	0	110.6	P679 N721 K732 V733 G736 F740	P679-F738 HydrophobicContact CB-CD2 4.42Å; P679-F738 HydrophobicContact CG-CD2 4.41Å; P679-F738 CarbonylContact O-C 3.57Å; P679-F738 WeakPolarHBondContact O-CA 3.07Å; P679-F738 WeakPolarHBondContact O-CD2 3.23Å; N721-F738 VanDerWaalsContact O-CE2 3.26Å; N721-F738 WeakPolarHBondContact O-CE2 3.4Å; N721-F738 WeakPolarHBondContact O-CZ 3.4Å; K732-F738 HydrophobicContact CB-CB 4.4Å; K732-F738 HydrophobicContact CB-CD1 3.67Å; K732-F738 HydrophobicContact CB-CE1 4.18Å; K732-F738 HydrophobicContact CB-CG 4.17Å; K732-F738 HydrophobicContact CD-CE1 4.44Å; V733-F738 HydrophobicContact CG2-CD1 3.97Å; G736-F738 PolarHBondContact O-N 2.84Å; F738-F740 HydrophobicContact CD1-CB 4.31Å; F738-F740 HydrophobicContact CE1-CB 3.88Å; F738-F740 HydrophobicContact CE1-CD2 4.25Å
739	G	91.9	Very high	90.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	122.4	169	0	0	0	0	0	111.3	P679 Y680 G681	P679-G739 PolarHBondContact O-N 2.88Å; Y680-G739 WeakPolarHBondContact CA-O 3.31Å; Y680-G739 WeakPolarHBondContact CB-O 3.42Å; G681-G739 PolarHBondContact N-O 3.37Å
740	F	94	Very high	90.6	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	115.8	-178.7	179.6	-131.8	0	0	0	110.7	V548 L549 V683 V723 S726 I730 V733 F738 W742 L747	V548-F740 VanDerWaalsContact CA-O 3.31Å; V548-F740 WeakPolarHBondContact CA-O 3.37Å; L549-F740 PolarHBondContact N-O 2.04Å; L549-F740 PolarHBondContact O-N 3.48Å; V683-F740 HydrophobicContact CG2-CE2 4.03Å; V683-F740 HydrophobicContact CG2-CZ 3.84Å; V723-F740 HydrophobicContact CG2-CE2 3.82Å; S726-F740 WeakPolarHBondContact O-CE1 3.18Å; I730-F740 HydrophobicContact CG1-CD1 4.14Å; I730-F740 HydrophobicContact CG1-CE1 4.21Å; V733-F740 HydrophobicContact CG2-CB 3.47Å; V733-F740 VanDerWaalsContact CG2-CB 3.47Å; F738-F740 HydrophobicContact CD1-CB 4.31Å; F738-F740 HydrophobicContact CE1-CB 3.88Å; F738-F740 HydrophobicContact CE1-CD2 4.25Å; F740-W742 HydrophobicContact CD1-CB 4.02Å; F740-W742 HydrophobicContact CE1-CB 3.53Å; F740-W742 AromaticContact CE1-CD1 3.9Å; F740-W742 HydrophobicContact CE1-CD2 4.27Å; F740-W742 AromaticContact CE1-CG 3.6Å; F740-W742 HydrophobicContact CE1-CG 3.6Å; F740-W742 HydrophobicContact CE2-CB 4.33Å; F740-W742 HydrophobicContact CZ-CB 3.68Å; F740-W742 AromaticContact CZ-CD2 3.76Å; F740-W742 HydrophobicContact CZ-CD2 3.76Å; F740-W742 HydrophobicContact CZ-CE3 4.1Å; F740-W742 AromaticContact CZ-CG 3.57Å; F740-W742 HydrophobicContact CZ-CG 3.57Å; F740-L747 HydrophobicContact CD1-CD2 3.91Å; F740-L747 HydrophobicContact CE1-CD2 4.17Å
741	V	93.4	Very high	90.5	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	113.9	-180	-173.3	0	0	0	0	108.7	V546 G547 V548 Y680 G681 T682 V688 M709	V546-V741 HydrophobicContact CG1-CG1 3.69Å; G547-V741 WeakPolarHBondContact O-CA 3.47Å; V548-V741 HydrophobicContact CG1-CG2 4.29Å; V548-V741 HydrophobicContact CG2-CB 4.42Å; V548-V741 HydrophobicContact CG2-CG1 4.28Å; V548-V741 HydrophobicContact CG2-CG2 4Å; Y680-V741 HydrophobicContact CD2-CG2 4.12Å; G681-V741 PolarHBondContact O-N 3.49Å; T682-V741 WeakPolarHBondContact CB-O 3.45Å; T682-V741 PolarHBondContact OG1-O 3.18Å; V688-V741 HydrophobicContact CG1-CG1 4.1Å; M709-V741 HydrophobicContact CE-CG1 4.15Å; M709-V741 HydrophobicContact CE-CG2 4.35Å
742	W	92.8	Very high	90.3	Very high	16 Å²	16	35.1 Å²	35.1	6%	0.061	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-152.4	-172	-173.4	-159.8	-126.4	0	0	0	112.7	G547 V683 V688 F740 A744 L747	G547-W742 PolarHBondContact N-O 3.14Å; G547-W742 PolarHBondContact O-N 2.68Å; G547-W742 VanDerWaalsContact O-O 3.08Å; V683-W742 HydrophobicContact CB-CE3 4.2Å; V683-W742 HydrophobicContact CB-CH2 3.65Å; V683-W742 HydrophobicContact CB-CZ3 3.44Å; V683-W742 VanDerWaalsContact CB-CZ3 3.44Å; V683-W742 HydrophobicContact CG1-CH2 4.43Å; V683-W742 HydrophobicContact CG2-CD2 4.13Å; V683-W742 HydrophobicContact CG2-CE3 3.65Å; V683-W742 HydrophobicContact CG2-CH2 3.46Å; V683-W742 VanDerWaalsContact CG2-CH2 3.46Å; V683-W742 HydrophobicContact CG2-CZ2 3.92Å; V683-W742 HydrophobicContact CG2-CZ3 3.31Å; V688-W742 HydrophobicContact CB-CE3 4.26Å; V688-W742 HydrophobicContact CB-CZ3 4.28Å; V688-W742 HydrophobicContact CG2-CE3 3.79Å; V688-W742 HydrophobicContact CG2-CZ3 3.94Å; F740-W742 HydrophobicContact CD1-CB 4.02Å; F740-W742 HydrophobicContact CE1-CB 3.53Å; F740-W742 AromaticContact CE1-CD1 3.9Å; F740-W742 HydrophobicContact CE1-CD2 4.27Å; F740-W742 AromaticContact CE1-CG 3.6Å; F740-W742 HydrophobicContact CE1-CG 3.6Å; F740-W742 HydrophobicContact CE2-CB 4.33Å; F740-W742 HydrophobicContact CZ-CB 3.68Å; F740-W742 AromaticContact CZ-CD2 3.76Å; F740-W742 HydrophobicContact CZ-CD2 3.76Å; F740-W742 HydrophobicContact CZ-CE3 4.1Å; F740-W742 AromaticContact CZ-CG 3.57Å; F740-W742 HydrophobicContact CZ-CG 3.57Å; W742-A744 PolarHBondContact O-N 2.95Å; W742-L747 HydrophobicContact CB-CD1 3.88Å; W742-L747 HydrophobicContact CB-CD2 3.98Å; W742-L747 HydrophobicContact CB-CG 3.96Å
743	D	90.7	Very high	90	Very high	9 Å²	9	36.7 Å²	36.7	5%	0.048	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-57	120.5	170.9	-174.2	-62	0	0	0	111.5	A745 V746 L747 Y771	D743-A745 VanDerWaalsContact C-N 3.28Å; D743-A745 PolarHBondContact O-N 3.42Å; D743-A745 WeakPolarHBondContact OD1-CB 3.11Å; D743-A745 PolarHBondContact OD1-N 3.13Å; D743-V746 HydrophobicContact CB-CB 4.1Å; D743-V746 HydrophobicContact CB-CG2 3.89Å; D743-V746 PolarHBondContact O-N 3.23Å; D743-V746 PolarHBondContact OD1-N 2.99Å; D743-V746 VanDerWaalsContact OD1-N 3.13Å; D743-L747 VanDerWaalsContact O-CG 3.29Å; D743-L747 WeakPolarHBondContact O-CG 3.43Å; D743-L747 PolarHBondContact O-N 2.91Å; D743-Y771 VanDerWaalsContact CG-OH 3.27Å; D743-Y771 PolarHBondContact OD1-OH 3.11Å; D743-Y771 VanDerWaalsContact OD1-OH 3.06Å; D743-Y771 WeakPolarHBondContact OD2-CE1 3.46Å; D743-Y771 PolarHBondContact OD2-OH 2.7Å
744	A	90.5	Very high	89.7	Confident	13 Å²	13	37.4 Å²	37.4	11%	0.107	17%	0.174	C	C	.	.	H	α-helix	trans	-62.9	-32.2	-174.9	0	0	0	0	0	113.3	S545 W742 L747 E748	S545-A744 VanDerWaalsContact O-CB 3.26Å; S545-A744 WeakPolarHBondContact O-CB 3.31Å; S545-A744 PolarHBondContact O-N 2.77Å; S545-A744 VanDerWaalsContact OG-CB 3.31Å; S545-A744 WeakPolarHBondContact OG-CB 3.42Å; W742-A744 PolarHBondContact O-N 2.95Å; A744-L747 PolarHBondContact O-N 2.72Å; A744-E748 VanDerWaalsContact O-CB 3.3Å; A744-E748 WeakPolarHBondContact O-CB 3.08Å; A744-E748 PolarHBondContact O-N 2.9Å
745	A	90.8	Very high	89.3	Confident	8 Å²	8	44.3 Å²	44.3	7%	0.066	21%	0.207	C	C	.	.	H	α-helix	trans	-74.5	-38.2	-178	0	0	0	0	0	111.5	F454 M542 D743 Y749 W806	F454-A745 HydrophobicContact CE2-CB 4.32Å; F454-A745 HydrophobicContact CZ-CB 4.07Å; M542-A745 HydrophobicContact CE-CB 3.62Å; D743-A745 VanDerWaalsContact C-N 3.28Å; D743-A745 PolarHBondContact O-N 3.42Å; D743-A745 WeakPolarHBondContact OD1-CB 3.11Å; D743-A745 PolarHBondContact OD1-N 3.13Å; A745-Y749 PolarHBondContact O-N 3.25Å; A745-Y749 VanDerWaalsContact O-N 3.12Å; A745-W806 HydrophobicContact CB-CZ2 3.82Å; A745-W806 PolarHBondContact O-NE1 2.94Å
746	V	91.8	Very high	88.8	Confident	4 Å²	4	40.7 Å²	40.7	2%	0.024	20%	0.2	C	C	.	.	H	α-helix	trans	-61.9	-45.7	170	176.8	0	0	0	0	110.4	E451 F454 D743 Y749 V750	E451-V746 HydrophobicContact CG-CG2 3.96Å; F454-V746 HydrophobicContact CD2-CG2 4.19Å; F454-V746 HydrophobicContact CE2-CG2 3.87Å; D743-V746 HydrophobicContact CB-CB 4.1Å; D743-V746 HydrophobicContact CB-CG2 3.89Å; D743-V746 PolarHBondContact O-N 3.23Å; D743-V746 PolarHBondContact OD1-N 2.99Å; D743-V746 VanDerWaalsContact OD1-N 3.13Å; V746-Y749 PolarHBondContact O-N 3.38Å; V746-V750 VanDerWaalsContact O-CG2 3.29Å; V746-V750 WeakPolarHBondContact O-CG2 3.43Å; V746-V750 PolarHBondContact O-N 2.78Å
747	L	91.8	Very high	88.8	Confident	1 Å²	1	40.9 Å²	40.9	1%	0.005	20%	0.196	C	C	.	.	H	α-helix	trans	-67.8	-36.8	-178.9	-64.2	-176.3	0	0	0	113.1	L549 F740 W742 D743 A744 V750 A751 T761	L549-L747 HydrophobicContact CB-CD1 4.01Å; L549-L747 HydrophobicContact CB-CD2 3.82Å; L549-L747 HydrophobicContact CB-CG 4.33Å; L549-L747 HydrophobicContact CD2-CD2 4.24Å; L549-L747 HydrophobicContact CG-CD2 4.45Å; F740-L747 HydrophobicContact CD1-CD2 3.91Å; F740-L747 HydrophobicContact CE1-CD2 4.17Å; W742-L747 HydrophobicContact CB-CD1 3.88Å; W742-L747 HydrophobicContact CB-CD2 3.98Å; W742-L747 HydrophobicContact CB-CG 3.96Å; D743-L747 VanDerWaalsContact O-CG 3.29Å; D743-L747 WeakPolarHBondContact O-CG 3.43Å; D743-L747 PolarHBondContact O-N 2.91Å; A744-L747 PolarHBondContact O-N 2.72Å; L747-V750 PolarHBondContact O-N 2.86Å; L747-A751 WeakPolarHBondContact O-CB 3.43Å; L747-A751 PolarHBondContact O-N 3.09Å; L747-T761 HydrophobicContact CB-CG2 3.94Å; L747-T761 WeakPolarHBondContact O-CG2 3.38Å
748	E	89.5	Confident	88.6	Confident	46 Å²	46	31.1 Å²	31.1	22%	0.215	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-43.6	173.3	-172.8	-171.7	149.9	0	0	111.4	A744 A751 N752 L814	A744-E748 VanDerWaalsContact O-CB 3.3Å; A744-E748 WeakPolarHBondContact O-CB 3.08Å; A744-E748 PolarHBondContact O-N 2.9Å; E748-A751 PolarHBondContact O-N 2.88Å; E748-N752 WeakPolarHBondContact O-CB 3.42Å; E748-N752 PolarHBondContact O-N 2.91Å; E748-N752 PolarHBondContact O-ND2 3.09Å; E748-L814 HydrophobicContact CG-CD1 4.19Å
749	Y	90.2	Very high	88.5	Confident	42 Å²	42	30.3 Å²	30.3	17%	0.165	16%	0.159	C	C	.	.	H	α-helix	trans	-61.9	-45.3	175.1	179.7	-102.4	0	0	0	111.9	E452 P453 A745 V746 A751 N752 N753	E452-Y749 HydrophobicContact CB-CD1 4.49Å; E452-Y749 HydrophobicContact CB-CE1 4.12Å; P453-Y749 HydrophobicContact CB-CD1 4.08Å; P453-Y749 HydrophobicContact CB-CD2 3.71Å; P453-Y749 HydrophobicContact CB-CE1 3.96Å; P453-Y749 HydrophobicContact CB-CE2 3.57Å; P453-Y749 HydrophobicContact CB-CG 3.96Å; P453-Y749 HydrophobicContact CG-CD1 4.19Å; P453-Y749 HydrophobicContact CG-CD2 3.69Å; P453-Y749 HydrophobicContact CG-CE2 4.1Å; P453-Y749 HydrophobicContact CG-CG 3.73Å; A745-Y749 PolarHBondContact O-N 3.25Å; A745-Y749 VanDerWaalsContact O-N 3.12Å; V746-Y749 PolarHBondContact O-N 3.38Å; Y749-A751 PolarHBondContact O-N 2.88Å; Y749-N752 PolarHBondContact O-N 2.92Å; Y749-N753 WeakPolarHBondContact CD2-ND2 3.38Å; Y749-N753 WeakPolarHBondContact CE2-ND2 3.08Å; Y749-N753 WeakPolarHBondContact O-CB 3.44Å; Y749-N753 PolarHBondContact O-N 2.71Å; Y749-N753 PolarHBondContact O-ND2 2.66Å
750	V	90.2	Very high	88.3	Confident	27 Å²	27	31.7 Å²	31.7	16%	0.164	16%	0.164	C	C	.	.	H	α-helix	trans	-63.5	-39.3	177.7	169.2	0	0	0	0	111.9	L549 I730 V746 L747 D754	L549-V750 HydrophobicContact CD2-CG1 4.14Å; I730-V750 HydrophobicContact CD1-CG1 4.2Å; I730-V750 HydrophobicContact CD1-CG2 3.72Å; I730-V750 HydrophobicContact CG1-CG1 4.27Å; I730-V750 HydrophobicContact CG2-CG1 3.78Å; V746-V750 VanDerWaalsContact O-CG2 3.29Å; V746-V750 WeakPolarHBondContact O-CG2 3.43Å; V746-V750 PolarHBondContact O-N 2.78Å; L747-V750 PolarHBondContact O-N 2.86Å; V750-D754 PolarHBondContact O-N 3.16Å
751	A	88.6	Confident	88	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-76	-29.8	179.8	0	0	0	0	0	113.5	L549 L747 E748 Y749 F759 T761 C812 L814	L549-A751 HydrophobicContact CD1-CB 4.16Å; L747-A751 WeakPolarHBondContact O-CB 3.43Å; L747-A751 PolarHBondContact O-N 3.09Å; E748-A751 PolarHBondContact O-N 2.88Å; Y749-A751 PolarHBondContact O-N 2.88Å; A751-F759 HydrophobicContact CB-CB 4.13Å; A751-T761 HydrophobicContact CB-CG2 3.83Å; A751-C812 WeakPolarHBondContact O-CB 3.1Å; A751-L814 HydrophobicContact CB-CD1 4.19Å; A751-L814 HydrophobicContact CB-CD2 4.1Å
752	N	86.5	Confident	87.7	Confident	6 Å²	6	34.6 Å²	34.6	3%	0.032	18%	0.182	C	C	.	.	H	α-helix	trans	-72.6	-27.9	174.1	-83.9	-47.3	0	0	0	113.4	E748 Y749 S810 L814	E748-N752 WeakPolarHBondContact O-CB 3.42Å; E748-N752 PolarHBondContact O-N 2.91Å; E748-N752 PolarHBondContact O-ND2 3.09Å; Y749-N752 PolarHBondContact O-N 2.92Å; N752-S810 WeakPolarHBondContact OD1-CB 3.35Å; N752-S810 PolarHBondContact OD1-OG 3.47Å; N752-L814 WeakPolarHBondContact OD1-CD1 3.33Å
753	N	85.2	Confident	87.1	Confident	84 Å²	84	36.7 Å²	36.7	45%	0.449	20%	0.199	S	C	.	.	S	Bend	trans	-107	6.6	-173.1	-67.3	-19.2	0	0	0	114.6	Y749 E755	Y749-N753 WeakPolarHBondContact CD2-ND2 3.38Å; Y749-N753 WeakPolarHBondContact CE2-ND2 3.08Å; Y749-N753 WeakPolarHBondContact O-CB 3.44Å; Y749-N753 PolarHBondContact O-N 2.71Å; Y749-N753 PolarHBondContact O-ND2 2.66Å; N753-E755 PolarHBondContact O-N 3.3Å
754	D	84.9	Confident	86.4	Confident	16 Å²	16	38 Å²	38	9%	0.086	21%	0.209	C	C	.	.			trans	-75.2	119.5	176.3	-177.9	54	0	0	0	111	K734 V750 D756 C757 S758 F759 C812	K734-D754 IonicContact NZ-OD1 2.73Å; K734-D754 PolarHBondContact NZ-OD1 3.45Å; K734-D754 IonicContact NZ-OD2 2.69Å; V750-D754 PolarHBondContact O-N 3.16Å; D754-D756 PolarHBondContact O-N 2.87Å; D754-C757 WeakPolarHBondContact O-CA 3.43Å; D754-C757 PolarHBondContact O-N 2.98Å; D754-C757 PolarHBondContact OD2-N 3.11Å; D754-S758 WeakPolarHBondContact OD2-CB 3.3Å; D754-S758 PolarHBondContact OD2-N 3.1Å; D754-S758 PolarHBondContact OD2-OG 2.56Å; D754-F759 HydrophobicContact CB-CD2 3.72Å; D754-F759 HydrophobicContact CB-CE2 3.9Å; D754-F759 VanDerWaalsContact CG-CE2 3.46Å; D754-C812 PolarHBondContact O-SG 2.84Å
755	E	80.9	Confident	85.1	Confident	191 Å²	191	45.2 Å²	45.2	89%	0.893	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-30.6	-175.3	-60.4	-178.2	149.9	0	0	114	N753	N753-E755 PolarHBondContact O-N 3.3Å
756	D	79.4	Confident	83.7	Confident	110 Å²	110	47.2 Å²	47.2	59%	0.588	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.1	-6.2	179.4	-58.2	-67.4	0	0	0	113.3	K734 D754 S758	K734-D756 VanDerWaalsContact CE-OD2 3.25Å; K734-D756 WeakPolarHBondContact CE-OD2 3.16Å; K734-D756 IonicContact NZ-OD2 3.93Å; K734-D756 PolarHBondContact NZ-OD2 3.47Å; D754-D756 PolarHBondContact O-N 2.87Å; D756-S758 PolarHBondContact O-N 3.1Å; D756-S758 VanDerWaalsContact O-N 3.09Å
757	C	84.4	Confident	82.4	Confident	39 Å²	39	50.1 Å²	50.1	26%	0.264	28%	0.281	S	S	.	.			trans	46	34.2	-166.4	-57	0	0	0	0	113.4	K552 D754 F759 C812	K552-C757 WeakPolarHBondContact CD-O 3.42Å; K552-C757 PolarHBondContact NZ-O 3.16Å; D754-C757 WeakPolarHBondContact O-CA 3.43Å; D754-C757 PolarHBondContact O-N 2.98Å; D754-C757 PolarHBondContact OD2-N 3.11Å; C757-F759 VanDerWaalsContact C-N 3.34Å; C757-F759 PolarHBondContact O-N 2.79Å; C757-C812 WeakPolarHBondContact CA-SG 3.28Å; C757-C812 HydrophobicContact CB-CB 3.64Å; C757-C812 WeakPolarHBondContact CB-SG 3.32Å; C757-C812 WeakPolarHBondContact SG-CA 3.47Å; C757-C812 WeakPolarHBondContact SG-CB 3.37Å; C757-C812 CovalentContact SG-SG 2.04Å; C757-C812 PolarHBondContact SG-SG 3.09Å
758	S	83.8	Confident	81.1	Confident	23 Å²	23	54.3 Å²	54.3	16%	0.161	30%	0.304	C	S	.	.			trans	-78.7	-14.4	-164.7	67.3	0	0	0	0	114.4	K552 D754 D756	K552-S758 WeakPolarHBondContact CB-O 3.47Å; K552-S758 PolarHBondContact N-O 2.85Å; D754-S758 WeakPolarHBondContact OD2-CB 3.3Å; D754-S758 PolarHBondContact OD2-N 3.1Å; D754-S758 PolarHBondContact OD2-OG 2.56Å; D756-S758 PolarHBondContact O-N 3.1Å; D756-S758 VanDerWaalsContact O-N 3.09Å
759	F	88.1	Confident	80.7	Confident	2 Å²	2	54.9 Å²	54.9	1%	0.009	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	160.7	-178.6	-54.3	-64.6	0	0	0	113.9	L549 L550 K552 V733 K734 A751 D754 C757	L549-F759 HydrophobicContact CD1-CB 3.7Å; L549-F759 HydrophobicContact CD1-CD1 4.34Å; L549-F759 HydrophobicContact CD1-CG 3.97Å; L549-F759 HydrophobicContact CD2-CD1 4.13Å; L549-F759 HydrophobicContact CD2-CE1 4.29Å; L549-F759 HydrophobicContact CD2-CG 4.31Å; L549-F759 HydrophobicContact CG-CB 4.32Å; L549-F759 HydrophobicContact CG-CD1 4.07Å; L549-F759 HydrophobicContact CG-CG 4.2Å; L550-F759 CarbonylContact O-C 3.54Å; L550-F759 VanDerWaalsContact O-CA 3.31Å; L550-F759 WeakPolarHBondContact O-CA 3.35Å; K552-F759 WeakPolarHBondContact CE-O 3.39Å; K552-F759 PolarHBondContact NZ-O 2.93Å; V733-F759 HydrophobicContact CB-CE1 4.16Å; V733-F759 HydrophobicContact CG1-CD1 3.91Å; V733-F759 HydrophobicContact CG1-CE1 3.8Å; K734-F759 HydrophobicContact CB-CE1 4.14Å; K734-F759 HydrophobicContact CB-CZ 3.76Å; K734-F759 HydrophobicContact CD-CE2 4.44Å; K734-F759 HydrophobicContact CD-CZ 3.94Å; K734-F759 HydrophobicContact CG-CE1 4.41Å; K734-F759 HydrophobicContact CG-CZ 3.86Å; A751-F759 HydrophobicContact CB-CB 4.13Å; D754-F759 HydrophobicContact CB-CD2 3.72Å; D754-F759 HydrophobicContact CB-CE2 3.9Å; D754-F759 VanDerWaalsContact CG-CE2 3.46Å; C757-F759 VanDerWaalsContact C-N 3.34Å; C757-F759 PolarHBondContact O-N 2.79Å
760	Y	86.8	Confident	80.7	Confident	29 Å²	29	53 Å²	53	11%	0.114	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	155.1	157.3	70.5	-77	0	0	0	109.6	L550 K552 N664 V762	L550-Y760 HydrophobicContact CB-CD1 3.96Å; L550-Y760 HydrophobicContact CB-CE1 3.51Å; L550-Y760 HydrophobicContact CB-CE2 4.13Å; L550-Y760 HydrophobicContact CB-CG 4.46Å; L550-Y760 HydrophobicContact CD1-CE1 4.46Å; L550-Y760 HydrophobicContact CD1-CE2 3.79Å; L550-Y760 PolarHBondContact N-O 2.87Å; L550-Y760 WeakPolarHBondContact O-CD1 3.21Å; L550-Y760 PolarHBondContact O-N 2.8Å; K552-Y760 HydrophobicContact CB-CD1 4.38Å; K552-Y760 HydrophobicContact CG-CD1 3.73Å; K552-Y760 HydrophobicContact CG-CG 4.38Å; N664-Y760 HydrophobicContact CB-CE2 4.08Å; Y760-V762 HydrophobicContact CD2-CG2 4.1Å; Y760-V762 HydrophobicContact CE2-CG2 3.91Å
761	T	88.3	Confident	80.9	Confident	49 Å²	49	51.8 Å²	51.8	30%	0.301	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	140.8	-177	45.4	0	0	0	0	111	V548 L549 L747 A751	V548-T761 WeakPolarHBondContact O-CA 3.28Å; L549-T761 HydrophobicContact CD1-CG2 3.79Å; L747-T761 HydrophobicContact CB-CG2 3.94Å; L747-T761 WeakPolarHBondContact O-CG2 3.38Å; A751-T761 HydrophobicContact CB-CG2 3.83Å
762	V	86.6	Confident	81.1	Confident	11 Å²	11	51.8 Å²	51.8	7%	0.067	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	118.6	173.4	177.1	0	0	0	0	108.5	G547 V548 L550 Q667 S668 L669 Y760	G547-V762 CarbonylContact C-O 3.56Å; G547-V762 WeakPolarHBondContact CA-O 3.29Å; V548-V762 PolarHBondContact N-O 3.39Å; V548-V762 PolarHBondContact O-N 3.43Å; L550-V762 HydrophobicContact CD1-CG2 4.2Å; Q667-V762 WeakPolarHBondContact O-CG1 3.43Å; S668-V762 VanDerWaalsContact CA-CG1 3.48Å; L669-V762 HydrophobicContact CD1-CG1 4.1Å; Y760-V762 HydrophobicContact CD2-CG2 4.1Å; Y760-V762 HydrophobicContact CE2-CG2 3.91Å
763	S	80.8	Confident	81.6	Confident	61 Å²	61	51.5 Å²	51.5	43%	0.427	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	162.5	-178.4	59.2	0	0	0	0	112.9
764	S	75.6	Confident	82	Confident	36 Å²	36	47.5 Å²	47.5	25%	0.252	27%	0.267	S	S	.	.			trans	-64.3	146.2	160.8	-178.6	0	0	0	0	111.2	V546 A766	V546-S764 PolarHBondContact O-N 2.75Å; S764-A766 VanDerWaalsContact C-N 3.26Å; S764-A766 PolarHBondContact O-N 3.2Å; S764-A766 PolarHBondContact OG-N 3.14Å; S764-A766 PolarHBondContact OG-O 2.72Å
765	N	62.5	Low	82.4	Confident	165 Å²	165	46.7 Å²	46.7	88%	0.882	26%	0.263	S	S	*	.	S	Bend	trans	-78.5	-3.6	178.8	-69.2	-5.6	0	0	0	114.1
766	A	62.3	Low	82.5	Confident	49 Å²	49	39.2 Å²	39.2	41%	0.405	23%	0.227	S	C	.	.	S	Bend	trans	-140.9	134.5	178.8	0	0	0	0	0	111.4	S764	S764-A766 VanDerWaalsContact C-N 3.26Å; S764-A766 PolarHBondContact O-N 3.2Å; S764-A766 PolarHBondContact OG-N 3.14Å; S764-A766 PolarHBondContact OG-O 2.72Å
767	P	63.1	Low	82.5	Confident	66 Å²	66	40.4 Å²	40.4	43%	0.429	23%	0.229	S	C	.	.			trans	-88.8	101.4	171.9	32.9	-30.6	0	0	0	111.6	D543 Y544 R769	D543-P767 HydrophobicContact CB-CB 4.08Å; D543-P767 HydrophobicContact CB-CG 4.45Å; Y544-P767 WeakPolarHBondContact O-CA 3.2Å; Y544-P767 WeakPolarHBondContact O-CB 3.35Å; P767-R769 VanDerWaalsContact C-N 3.28Å; P767-R769 PolarHBondContact O-N 3.26Å
768	D	64.8	Low	81.6	Confident	89 Å²	89	41.2 Å²	41.2	48%	0.476	25%	0.245	S	C	.	.			trans	-71.9	-17.2	179.1	-67.5	-8.5	0	0	0	113.8	K695	K695-D768 IonicContact NZ-OD2 3.99Å; K695-D768 PolarHBondContact NZ-OD2 2.82Å
769	R	82.3	Confident	81.2	Confident	57 Å²	57	40.8 Å²	40.8	22%	0.215	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	178.6	-170.9	-59.7	177.4	174.8	170.4	-6.4	111	T526 Y544 P767	T526-R769 HydrophobicContact CG2-CB 4.16Å; Y544-R769 HydrophobicContact CD1-CB 3.87Å; Y544-R769 PolarHBondContact N-O 3.36Å; P767-R769 VanDerWaalsContact C-N 3.28Å; P767-R769 PolarHBondContact O-N 3.26Å
770	G	89.8	Confident	80.3	Confident	3 Å²	3	45.2 Å²	45.2	3%	0.031	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	173.9	170.4	0	0	0	0	0	112.8	I527 M542	I527-G770 PolarHBondContact N-O 3.23Å; I527-G770 VanDerWaalsContact N-O 3.09Å; M542-G770 CarbonylContact O-C 3.56Å; M542-G770 VanDerWaalsContact O-CA 3.3Å; M542-G770 WeakPolarHBondContact O-CA 3.48Å
771	Y	93.3	Very high	80	Confident	1 Å²	1	46.2 Å²	46.2	0%	0.004	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	132.5	168.6	-42.5	-80	0	0	0	109.6	F454 A524 L525 R540 Y541 M542 D543 Y544 D743	F454-Y771 HydrophobicContact CE1-CD2 4.34Å; F454-Y771 HydrophobicContact CE1-CE2 4.26Å; F454-Y771 HydrophobicContact CZ-CE1 4.41Å; F454-Y771 HydrophobicContact CZ-CE2 4.05Å; F454-Y771 AromaticContact CZ-CZ 3.99Å; A524-Y771 HydrophobicContact CB-CD1 4.4Å; A524-Y771 HydrophobicContact CB-CE1 4.34Å; L525-Y771 WeakPolarHBondContact O-CA 3.31Å; R540-Y771 CarbonylContact C-O 3.57Å; R540-Y771 WeakPolarHBondContact CA-O 3.25Å; Y541-Y771 WeakPolarHBondContact CD1-O 3.46Å; Y541-Y771 PolarHBondContact N-O 2.98Å; M542-Y771 HydrophobicContact CB-CD2 3.82Å; M542-Y771 HydrophobicContact CB-CE2 4.33Å; M542-Y771 HydrophobicContact CE-CE2 4.34Å; M542-Y771 HydrophobicContact CG-CD2 3.86Å; M542-Y771 HydrophobicContact CG-CE2 3.84Å; M542-Y771 VanDerWaalsContact O-CD2 3.32Å; M542-Y771 WeakPolarHBondContact O-CD2 3.31Å; M542-Y771 PolarHBondContact O-N 2.93Å; M542-Y771 HydrophobicContact SD-CD2 4.25Å; M542-Y771 HydrophobicContact SD-CE2 4.01Å; D543-Y771 VanDerWaalsContact O-CE2 3.27Å; D543-Y771 WeakPolarHBondContact O-CE2 3.33Å; Y544-Y771 AromaticContact CD2-CE1 3.67Å; Y544-Y771 HydrophobicContact CD2-CE1 3.67Å; Y544-Y771 AromaticContact CD2-CZ 3.88Å; Y544-Y771 HydrophobicContact CG-CE1 4.29Å; D743-Y771 VanDerWaalsContact CG-OH 3.27Å; D743-Y771 PolarHBondContact OD1-OH 3.11Å; D743-Y771 VanDerWaalsContact OD1-OH 3.06Å; D743-Y771 WeakPolarHBondContact OD2-CE1 3.46Å; D743-Y771 PolarHBondContact OD2-OH 2.7Å
772	G	93.9	Very high	79.8	Confident	0 Å²	0	46 Å²	46	0%	0	27%	0.268	C	S	.	.			trans	-119.9	156.9	173.8	0	0	0	0	0	110.5	L525	L525-G772 PolarHBondContact O-N 2.78Å
773	I	96	Very high	79.2	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	28%	0.28	C	S	.	.			trans	-80.9	127	164.4	-55.8	-176.8	0	0	0	106.3	L479 V520 L522 F537 T538 Y541 F785 I789	L479-I773 HydrophobicContact CD1-CD1 3.78Å; V520-I773 HydrophobicContact CG1-CG2 3.35Å; L522-I773 HydrophobicContact CD1-CD1 4.05Å; L522-I773 HydrophobicContact CD1-CG1 3.92Å; F537-I773 WeakPolarHBondContact CA-O 3.08Å; T538-I773 HydrophobicContact CG2-CB 3.88Å; T538-I773 PolarHBondContact N-O 3.24Å; T538-I773 PolarHBondContact OG1-N 3.36Å; T538-I773 PolarHBondContact OG1-O 3.3Å; Y541-I773 HydrophobicContact CD1-CG1 4.05Å; Y541-I773 HydrophobicContact CE1-CG1 4.17Å; I773-F785 HydrophobicContact CD1-CD1 4.21Å; I773-I789 HydrophobicContact CD1-CD1 4.11Å; I773-I789 HydrophobicContact CG1-CD1 4.46Å
774	A	95.5	Very high	79.2	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	151.3	176.3	0	0	0	0	0	110.9	L513 V520 G521 L525 V535 D536 F537	L513-A774 HydrophobicContact CD1-CB 3.49Å; L513-A774 VanDerWaalsContact CD1-CB 3.49Å; V520-A774 CarbonylContact C-O 3.52Å; V520-A774 WeakPolarHBondContact CA-O 3.4Å; G521-A774 PolarHBondContact N-O 3.46Å; G521-A774 PolarHBondContact O-N 2.88Å; L525-A774 HydrophobicContact CD2-CB 3.52Å; V535-A774 HydrophobicContact CG2-CB 3.99Å; D536-A774 CarbonylContact O-C 3.53Å; D536-A774 WeakPolarHBondContact O-CA 3.38Å; F537-A774 HydrophobicContact CD1-CB 4.09Å; F537-A774 HydrophobicContact CE1-CB 3.83Å; F537-A774 HydrophobicContact CZ-CB 4.25Å
775	M	92.6	Very high	79.8	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	161.7	176.1	-61.1	-165.7	-177	0	0	110.4	V520 V535 D536 T538 H777 S779 R782 F785	V520-M775 HydrophobicContact CG2-CE 4.39Å; V520-M775 HydrophobicContact CG2-CG 4.34Å; V535-M775 WeakPolarHBondContact CB-O 3.32Å; D536-M775 PolarHBondContact N-O 3.42Å; D536-M775 PolarHBondContact O-N 3.42Å; T538-M775 HydrophobicContact CG2-CE 4.08Å; M775-H777 PolarHBondContact O-N 3.21Å; M775-S779 PolarHBondContact SD-OG 2.95Å; M775-S779 VanDerWaalsContact SD-OG 3.37Å; M775-R782 VanDerWaalsContact SD-CA 3.6Å; M775-R782 HydrophobicContact SD-CB 4.19Å; M775-R782 PolarHBondContact SD-N 3.38Å; M775-R782 VanDerWaalsContact SD-N 3.43Å; M775-F785 HydrophobicContact CE-CB 3.71Å; M775-F785 HydrophobicContact CE-CD1 3.64Å; M775-F785 HydrophobicContact CE-CD2 3.54Å; M775-F785 HydrophobicContact CE-CE1 4.08Å; M775-F785 HydrophobicContact CE-CE2 3.94Å; M775-F785 HydrophobicContact CE-CG 3.36Å; M775-F785 HydrophobicContact CE-CZ 4.21Å
776	Q	83.5	Confident	80.9	Confident	33 Å²	33	38 Å²	38	15%	0.154	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-51.9	138.8	170	-63.4	-177.1	24.5	0	0	110.8	K516 A518 D519 G778 S779	K516-Q776 VanDerWaalsContact CD-OE1 3.3Å; K516-Q776 HydrophobicContact CG-CG 4.42Å; A518-Q776 PolarHBondContact O-NE2 2.78Å; D519-Q776 PolarHBondContact OD1-NE2 2.89Å; Q776-G778 PolarHBondContact O-N 3.09Å; Q776-S779 WeakPolarHBondContact O-CB 3.45Å; Q776-S779 PolarHBondContact O-N 3.31Å
777	H	79.6	Confident	81.8	Confident	135 Å²	135	40.1 Å²	40.1	63%	0.625	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.2	127.3	179.3	-179.9	57.2	0	0	0	111.5	D536 M775	D536-H777 WeakPolarHBondContact OD1-CA 3.26Å; D536-H777 IonicContact OD1-CE1 3.35Å; D536-H777 IonicContact OD1-CG 3.47Å; D536-H777 IonicContact OD1-ND1 2.64Å; D536-H777 PolarHBondContact OD1-ND1 3.43Å; M775-H777 PolarHBondContact O-N 3.21Å
778	G	65.4	Low	82.8	Confident	57 Å²	57	38.6 Å²	38.6	59%	0.588	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.6	19.5	-173.8	0	0	0	0	0	115.5	D536 Q776	D536-G778 PolarHBondContact OD1-N 2.88Å; D536-G778 PolarHBondContact OD2-N 2.88Å; Q776-G778 PolarHBondContact O-N 3.09Å
779	S	74.1	Confident	84	Confident	14 Å²	14	34.3 Å²	34.3	10%	0.098	18%	0.183	C	C	.	.			trans	-61.6	128.2	176.2	173.6	0	0	0	0	112.2	M775 Q776 Y781 R782	M775-S779 PolarHBondContact SD-OG 2.95Å; M775-S779 VanDerWaalsContact SD-OG 3.37Å; Q776-S779 WeakPolarHBondContact O-CB 3.45Å; Q776-S779 PolarHBondContact O-N 3.31Å; S779-Y781 PolarHBondContact O-N 2.96Å; S779-Y781 PolarHBondContact OG-N 3.48Å; S779-R782 PolarHBondContact O-N 3.36Å
780	P	70.4	Confident	84.2	Confident	94 Å²	94	35.8 Å²	35.8	61%	0.61	19%	0.194	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.9	-15.7	177.5	30.2	-36.3	0	0	0	113
781	Y	80.3	Confident	83.9	Confident	51 Å²	51	38.1 Å²	38.1	20%	0.2	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-15.8	-177.5	-50.7	-57.1	0	0	0	113.5	M439 L444 S779 D783 I784 F785	M439-Y781 HydrophobicContact CG-CD1 4.22Å; M439-Y781 HydrophobicContact CG-CE1 4.15Å; M439-Y781 HydrophobicContact SD-CD1 3.34Å; M439-Y781 WeakPolarHBondContact SD-CD1 3.46Å; M439-Y781 HydrophobicContact SD-CE1 3.7Å; M439-Y781 HydrophobicContact SD-CG 4.07Å; L444-Y781 HydrophobicContact CD2-CD2 4.1Å; L444-Y781 HydrophobicContact CD2-CE2 3.81Å; S779-Y781 PolarHBondContact O-N 2.96Å; S779-Y781 PolarHBondContact OG-N 3.48Å; Y781-D783 VanDerWaalsContact C-N 3.33Å; Y781-D783 PolarHBondContact O-N 2.79Å; Y781-I784 PolarHBondContact O-N 2.87Å; Y781-F785 WeakPolarHBondContact O-CD2 3.47Å; Y781-F785 PolarHBondContact O-N 2.82Å
782	R	83.3	Confident	83.6	Confident	45 Å²	45	38.4 Å²	38.4	17%	0.17	21%	0.206	C	C	.	.	H	α-helix	trans	-53	-48.8	-174.8	-178.9	-163	68.9	-145.5	-4.4	112.1	F255 D536 F537 M775 S779 S786	F255-R782 VanDerWaalsContact CZ-NH2 3.29Å; D536-R782 HydrophobicContact CB-CG 4.33Å; D536-R782 WeakPolarHBondContact OD2-CD 3.26Å; D536-R782 IonicContact OD2-CZ 3.66Å; D536-R782 IonicContact OD2-NE 3.94Å; D536-R782 IonicContact OD2-NH1 3.56Å; D536-R782 PolarHBondContact OD2-NH1 3.02Å; F537-R782 WeakPolarHBondContact O-CG 3.49Å; M775-R782 VanDerWaalsContact SD-CA 3.6Å; M775-R782 HydrophobicContact SD-CB 4.19Å; M775-R782 PolarHBondContact SD-N 3.38Å; M775-R782 VanDerWaalsContact SD-N 3.43Å; S779-R782 PolarHBondContact O-N 3.36Å; R782-S786 VanDerWaalsContact O-CB 3.29Å; R782-S786 WeakPolarHBondContact O-CB 3.4Å; R782-S786 PolarHBondContact O-N 3.41Å; R782-S786 PolarHBondContact O-OG 2.81Å
783	D	73.7	Confident	83.3	Confident	60 Å²	60	42 Å²	42	32%	0.321	22%	0.222	S	C	.	.	H	α-helix	trans	-76.2	-35.2	-173.7	-59.4	-26	0	0	0	111.5	F255 Y781 S786 Q787	F255-D783 WeakPolarHBondContact CD2-OD2 3.45Å; F255-D783 HydrophobicContact CE2-CB 4.44Å; F255-D783 WeakPolarHBondContact CE2-OD1 3.32Å; F255-D783 VanDerWaalsContact CE2-OD2 3.29Å; F255-D783 WeakPolarHBondContact CE2-OD2 3.23Å; F255-D783 WeakPolarHBondContact CZ-OD1 3.14Å; Y781-D783 VanDerWaalsContact C-N 3.33Å; Y781-D783 PolarHBondContact O-N 2.79Å; D783-S786 PolarHBondContact O-N 2.75Å; D783-Q787 WeakPolarHBondContact O-CB 3.48Å; D783-Q787 PolarHBondContact O-N 2.98Å
784	I	80.9	Confident	82.7	Confident	30 Å²	30	50 Å²	50	15%	0.154	26%	0.26	C	S	.	.	H	α-helix	trans	-63	-47.5	175.1	-57.5	175.8	0	0	0	110.2	L435 M439 L483 Y781 R788	L435-I784 HydrophobicContact CD1-CD1 4.29Å; M439-I784 HydrophobicContact CE-CG2 4.29Å; L483-I784 HydrophobicContact CD1-CG2 4.03Å; L483-I784 HydrophobicContact CD2-CG2 3.55Å; L483-I784 HydrophobicContact CG-CG2 4.43Å; Y781-I784 PolarHBondContact O-N 2.87Å; I784-R788 WeakPolarHBondContact O-CG 3.38Å; I784-R788 PolarHBondContact O-N 3.37Å
785	F	88	Confident	82.2	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.8	-44.5	174.1	-85.9	-120.8	0	0	0	111.2	M439 L444 L479 L483 F485 T538 I773 M775 Y781 Q787 R788 I789	M439-F785 HydrophobicContact CE-CD2 4.22Å; M439-F785 HydrophobicContact CE-CE2 3.69Å; M439-F785 HydrophobicContact SD-CE2 4.22Å; L444-F785 HydrophobicContact CD1-CE2 4.1Å; L444-F785 HydrophobicContact CD1-CZ 3.78Å; L479-F785 HydrophobicContact CD1-CD1 3.85Å; L479-F785 HydrophobicContact CD1-CE1 4.2Å; L483-F785 HydrophobicContact CD1-CD2 4.34Å; F485-F785 HydrophobicContact CD1-CZ 4.38Å; F485-F785 HydrophobicContact CE1-CE1 4.24Å; F485-F785 HydrophobicContact CE1-CE2 4.16Å; F485-F785 AromaticContact CE1-CZ 3.63Å; F485-F785 HydrophobicContact CE1-CZ 3.63Å; F485-F785 HydrophobicContact CE2-CZ 4.13Å; F485-F785 AromaticContact CZ-CE1 3.92Å; F485-F785 HydrophobicContact CZ-CE1 3.92Å; F485-F785 HydrophobicContact CZ-CE2 4.45Å; F485-F785 AromaticContact CZ-CZ 3.51Å; F485-F785 HydrophobicContact CZ-CZ 3.51Å; T538-F785 HydrophobicContact CG2-CB 3.8Å; I773-F785 HydrophobicContact CD1-CD1 4.21Å; M775-F785 HydrophobicContact CE-CB 3.71Å; M775-F785 HydrophobicContact CE-CD1 3.64Å; M775-F785 HydrophobicContact CE-CD2 3.54Å; M775-F785 HydrophobicContact CE-CE1 4.08Å; M775-F785 HydrophobicContact CE-CE2 3.94Å; M775-F785 HydrophobicContact CE-CG 3.36Å; M775-F785 HydrophobicContact CE-CZ 4.21Å; Y781-F785 WeakPolarHBondContact O-CD2 3.47Å; Y781-F785 PolarHBondContact O-N 2.82Å; F785-Q787 VanDerWaalsContact C-N 3.34Å; F785-Q787 PolarHBondContact O-N 3.36Å; F785-R788 PolarHBondContact O-N 2.82Å; F785-I789 VanDerWaalsContact O-CG1 3.32Å; F785-I789 WeakPolarHBondContact O-CG1 3.45Å; F785-I789 PolarHBondContact O-N 3.46Å
786	S	85.6	Confident	82	Confident	15 Å²	15	56.2 Å²	56.2	11%	0.105	30%	0.298	C	S	.	.	H	α-helix	trans	-61.7	-40.5	-178.3	-62.3	0	0	0	0	112.8	T538 T539 R782 D783 I789 L790	T538-S786 VanDerWaalsContact CA-OG 3.23Å; T538-S786 WeakPolarHBondContact CA-OG 3.31Å; T538-S786 WeakPolarHBondContact CB-OG 3.37Å; T539-S786 PolarHBondContact N-OG 2.95Å; T539-S786 VanDerWaalsContact N-OG 3.13Å; T539-S786 VanDerWaalsContact OG1-CA 3.23Å; T539-S786 WeakPolarHBondContact OG1-CA 3.31Å; T539-S786 WeakPolarHBondContact OG1-CB 3.23Å; T539-S786 PolarHBondContact OG1-O 2.72Å; R782-S786 VanDerWaalsContact O-CB 3.29Å; R782-S786 WeakPolarHBondContact O-CB 3.4Å; R782-S786 PolarHBondContact O-N 3.41Å; R782-S786 PolarHBondContact O-OG 2.81Å; D783-S786 PolarHBondContact O-N 2.75Å; S786-I789 PolarHBondContact O-N 3.06Å; S786-L790 WeakPolarHBondContact O-CG 3.4Å; S786-L790 PolarHBondContact O-N 3.09Å; S786-L790 VanDerWaalsContact O-N 3.13Å
787	Q	81.4	Confident	82.3	Confident	92 Å²	92	56.9 Å²	56.9	43%	0.43	30%	0.303	S	S	.	.	H	α-helix	trans	-63	-47.3	174.4	-172.2	-172	-40.5	0	0	111	D783 F785 I789 L790 E791	D783-Q787 WeakPolarHBondContact O-CB 3.48Å; D783-Q787 PolarHBondContact O-N 2.98Å; F785-Q787 VanDerWaalsContact C-N 3.34Å; F785-Q787 PolarHBondContact O-N 3.36Å; Q787-I789 VanDerWaalsContact C-N 3.34Å; Q787-I789 PolarHBondContact O-N 2.96Å; Q787-L790 WeakPolarHBondContact O-CB 3.37Å; Q787-L790 PolarHBondContact O-N 3.01Å; Q787-E791 WeakPolarHBondContact CG-OE1 3.03Å; Q787-E791 PolarHBondContact NE2-OE1 2.99Å; Q787-E791 WeakPolarHBondContact O-CG 3.46Å; Q787-E791 PolarHBondContact O-N 3.02Å
788	R	84.3	Confident	82.9	Confident	34 Å²	34	50.9 Å²	50.9	13%	0.128	28%	0.275	C	S	.	.	H	α-helix	trans	-68.4	-30.9	179.9	-61.3	-48	-175.6	176.9	0.4	113.2	L479 L483 I784 F785 E791 L792	L479-R788 HydrophobicContact CD2-CB 3.58Å; L483-R788 HydrophobicContact CD1-CB 4.41Å; L483-R788 HydrophobicContact CD1-CG 3.86Å; L483-R788 HydrophobicContact CD2-CG 3.71Å; L483-R788 HydrophobicContact CG-CG 3.9Å; I784-R788 WeakPolarHBondContact O-CG 3.38Å; I784-R788 PolarHBondContact O-N 3.37Å; F785-R788 PolarHBondContact O-N 2.82Å; R788-E791 WeakPolarHBondContact CD-OE2 3.19Å; R788-E791 IonicContact CZ-OE1 2.67Å; R788-E791 IonicContact CZ-OE2 2.71Å; R788-E791 IonicContact NE-OE2 2.84Å; R788-E791 IonicContact NH1-OE1 2.74Å; R788-E791 PolarHBondContact NH1-OE1 3.37Å; R788-E791 IonicContact NH1-OE2 3.43Å; R788-E791 PolarHBondContact NH1-OE2 2.91Å; R788-E791 PolarHBondContact O-N 2.87Å; R788-L792 WeakPolarHBondContact O-CB 3.24Å; R788-L792 VanDerWaalsContact O-CG 3.26Å; R788-L792 WeakPolarHBondContact O-CG 3.49Å; R788-L792 PolarHBondContact O-N 3.36Å
789	I	89.9	Confident	84.1	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-62.4	-44.1	170.7	-70.4	164.4	0	0	0	110.5	L479 T538 I773 F785 S786 Q787 L792 Q793	L479-I789 HydrophobicContact CD1-CG1 4.19Å; L479-I789 HydrophobicContact CD2-CG1 4.26Å; T538-I789 HydrophobicContact CG2-CD1 4.18Å; T538-I789 WeakPolarHBondContact OG1-CD1 3.23Å; I773-I789 HydrophobicContact CD1-CD1 4.11Å; I773-I789 HydrophobicContact CG1-CD1 4.46Å; F785-I789 VanDerWaalsContact O-CG1 3.32Å; F785-I789 WeakPolarHBondContact O-CG1 3.45Å; F785-I789 PolarHBondContact O-N 3.46Å; S786-I789 PolarHBondContact O-N 3.06Å; Q787-I789 VanDerWaalsContact C-N 3.34Å; Q787-I789 PolarHBondContact O-N 2.96Å; I789-L792 PolarHBondContact O-N 3.08Å; I789-Q793 WeakPolarHBondContact O-CG 3.28Å; I789-Q793 PolarHBondContact O-N 3.05Å
790	L	85.8	Confident	85	Confident	88 Å²	88	57.9 Å²	57.9	46%	0.461	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-38.9	175.8	-69.5	171.9	0	0	0	112.2	T539 S786 Q787 Q793 Q794	T539-L790 HydrophobicContact CG2-CD1 4.13Å; T539-L790 HydrophobicContact CG2-CD2 4.32Å; T539-L790 HydrophobicContact CG2-CG 4.17Å; S786-L790 WeakPolarHBondContact O-CG 3.4Å; S786-L790 PolarHBondContact O-N 3.09Å; S786-L790 VanDerWaalsContact O-N 3.13Å; Q787-L790 WeakPolarHBondContact O-CB 3.37Å; Q787-L790 PolarHBondContact O-N 3.01Å; L790-Q793 PolarHBondContact O-N 2.89Å; L790-Q794 WeakPolarHBondContact O-CB 3.49Å; L790-Q794 PolarHBondContact O-N 3.47Å
791	E	83.7	Confident	86.1	Confident	52 Å²	52	55 Å²	55	24%	0.243	28%	0.276	C	S	.	.	H	α-helix	trans	-64.7	-44.4	175.3	-70.1	169.2	-165.4	0	0	112	Q787 R788 Q793 Q794 N795	Q787-E791 WeakPolarHBondContact CG-OE1 3.03Å; Q787-E791 PolarHBondContact NE2-OE1 2.99Å; Q787-E791 WeakPolarHBondContact O-CG 3.46Å; Q787-E791 PolarHBondContact O-N 3.02Å; R788-E791 WeakPolarHBondContact CD-OE2 3.19Å; R788-E791 IonicContact CZ-OE1 2.67Å; R788-E791 IonicContact CZ-OE2 2.71Å; R788-E791 IonicContact NE-OE2 2.84Å; R788-E791 IonicContact NH1-OE1 2.74Å; R788-E791 PolarHBondContact NH1-OE1 3.37Å; R788-E791 IonicContact NH1-OE2 3.43Å; R788-E791 PolarHBondContact NH1-OE2 2.91Å; R788-E791 PolarHBondContact O-N 2.87Å; E791-Q793 VanDerWaalsContact C-N 3.27Å; E791-Q793 PolarHBondContact O-N 2.88Å; E791-Q794 PolarHBondContact O-N 3Å; E791-N795 WeakPolarHBondContact O-CB 3.37Å; E791-N795 PolarHBondContact O-N 2.93Å; E791-N795 PolarHBondContact O-ND2 3.25Å
792	L	88.1	Confident	86.6	Confident	6 Å²	6	56.3 Å²	56.3	3%	0.031	28%	0.283	C	S	.	.	H	α-helix	trans	-62.9	-32.3	174.7	-69.9	167	0	0	0	112.3	A478 L479 Y482 R788 I789 G796 D797 M798	A478-L792 HydrophobicContact CB-CD1 4.31Å; L479-L792 HydrophobicContact CD2-CD1 4.01Å; L479-L792 HydrophobicContact CG-CD1 4.31Å; Y482-L792 HydrophobicContact CD2-CD2 4.18Å; Y482-L792 HydrophobicContact CE2-CD2 3.68Å; R788-L792 WeakPolarHBondContact O-CB 3.24Å; R788-L792 VanDerWaalsContact O-CG 3.26Å; R788-L792 WeakPolarHBondContact O-CG 3.49Å; R788-L792 PolarHBondContact O-N 3.36Å; I789-L792 PolarHBondContact O-N 3.08Å; L792-G796 PolarHBondContact O-N 2.86Å; L792-D797 HydrophobicContact CB-CB 4.39Å; L792-D797 HydrophobicContact CD2-CB 3.76Å; L792-D797 PolarHBondContact O-N 3.48Å; L792-M798 HydrophobicContact CB-CG 3.71Å; L792-M798 HydrophobicContact CB-SD 3.98Å; L792-M798 HydrophobicContact CD1-SD 4.35Å; L792-M798 PolarHBondContact O-N 3.1Å; L792-M798 VanDerWaalsContact O-N 3.09Å
793	Q	87	Confident	87	Confident	75 Å²	75	58.1 Å²	58.1	35%	0.35	30%	0.295	S	S	.	.	H	α-helix	trans	-71.2	-45.6	172	-72.7	173.6	-18.6	0	0	111.3	R540 Y541 I789 L790 E791 N795 G796 M798	R540-Q793 PolarHBondContact O-NE2 2.99Å; Y541-Q793 PolarHBondContact O-NE2 3.28Å; Y541-Q793 VanDerWaalsContact O-NE2 3.15Å; I789-Q793 WeakPolarHBondContact O-CG 3.28Å; I789-Q793 PolarHBondContact O-N 3.05Å; L790-Q793 PolarHBondContact O-N 2.89Å; E791-Q793 VanDerWaalsContact C-N 3.27Å; E791-Q793 PolarHBondContact O-N 2.88Å; Q793-N795 VanDerWaalsContact C-N 3.33Å; Q793-N795 PolarHBondContact O-N 2.85Å; Q793-G796 PolarHBondContact O-N 2.97Å; Q793-G796 VanDerWaalsContact O-N 3.15Å; Q793-M798 HydrophobicContact CG-CB 4.18Å; Q793-M798 HydrophobicContact CG-CG 3.72Å
794	Q	83.3	Confident	87.9	Confident	170 Å²	170	61 Å²	61	79%	0.794	31%	0.305	S	S	*	.	H	α-helix	trans	-65.7	-32.7	-179	-175.9	173.5	-7.8	0	0	113.1	L790 E791 G796	L790-Q794 WeakPolarHBondContact O-CB 3.49Å; L790-Q794 PolarHBondContact O-N 3.47Å; E791-Q794 PolarHBondContact O-N 3Å; Q794-G796 VanDerWaalsContact C-N 3.34Å
795	N	86.1	Confident	88.3	Confident	108 Å²	108	61.3 Å²	61.3	58%	0.578	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.5	-18.3	175	-67.9	-12.7	0	0	0	113.7	E791 Q793 D797	E791-N795 WeakPolarHBondContact O-CB 3.37Å; E791-N795 PolarHBondContact O-N 2.93Å; E791-N795 PolarHBondContact O-ND2 3.25Å; Q793-N795 VanDerWaalsContact C-N 3.33Å; Q793-N795 PolarHBondContact O-N 2.85Å; N795-D797 VanDerWaalsContact C-N 3.32Å; N795-D797 WeakPolarHBondContact CB-OD2 3.38Å; N795-D797 PolarHBondContact ND2-OD2 3.24Å; N795-D797 VanDerWaalsContact ND2-OD2 3.11Å
796	G	88.2	Confident	88.5	Confident	21 Å²	21	61.8 Å²	61.8	22%	0.216	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	82	2.5	-169.4	0	0	0	0	0	114.8	L792 Q793 Q794 M798 D799 I800	L792-G796 PolarHBondContact O-N 2.86Å; Q793-G796 PolarHBondContact O-N 2.97Å; Q793-G796 VanDerWaalsContact O-N 3.15Å; Q794-G796 VanDerWaalsContact C-N 3.34Å; G796-M798 PolarHBondContact O-N 2.93Å; G796-D799 PolarHBondContact O-N 3.31Å; G796-I800 PolarHBondContact O-N 3.1Å
797	D	89.8	Confident	88.5	Confident	47 Å²	47	63.9 Å²	63.9	25%	0.251	32%	0.319	S	S	.	.	H	α-helix	trans	-58.3	-37.3	177.6	-65.5	-47.5	0	0	0	111.5	L792 N795 D799 I800 L801	L792-D797 HydrophobicContact CB-CB 4.39Å; L792-D797 HydrophobicContact CD2-CB 3.76Å; L792-D797 PolarHBondContact O-N 3.48Å; N795-D797 VanDerWaalsContact C-N 3.32Å; N795-D797 WeakPolarHBondContact CB-OD2 3.38Å; N795-D797 PolarHBondContact ND2-OD2 3.24Å; N795-D797 VanDerWaalsContact ND2-OD2 3.11Å; D797-D799 VanDerWaalsContact C-N 3.35Å; D797-D799 PolarHBondContact O-N 3Å; D797-I800 PolarHBondContact O-N 3.19Å; D797-L801 WeakPolarHBondContact O-CG 3.4Å; D797-L801 PolarHBondContact O-N 3.4Å
798	M	92.1	Very high	88	Confident	9 Å²	9	67.4 Å²	67.4	4%	0.044	33%	0.333	C	S	.	.	H	α-helix	trans	-63.8	-35	175.3	-69.4	-58.7	-64.2	0	0	113.6	F471 V475 Y541 L792 Q793 G796 L801 K802	F471-M798 HydrophobicContact CE2-CE 4.49Å; F471-M798 HydrophobicContact CZ-CE 3.92Å; V475-M798 HydrophobicContact CG1-CE 4.36Å; V475-M798 HydrophobicContact CG1-SD 4.43Å; V475-M798 HydrophobicContact CG2-CE 3.64Å; V475-M798 HydrophobicContact CG2-SD 4.03Å; Y541-M798 HydrophobicContact CD2-CE 4.13Å; Y541-M798 WeakPolarHBondContact O-CE 3.49Å; L792-M798 HydrophobicContact CB-CG 3.71Å; L792-M798 HydrophobicContact CB-SD 3.98Å; L792-M798 HydrophobicContact CD1-SD 4.35Å; L792-M798 PolarHBondContact O-N 3.1Å; L792-M798 VanDerWaalsContact O-N 3.09Å; Q793-M798 HydrophobicContact CG-CB 4.18Å; Q793-M798 HydrophobicContact CG-CG 3.72Å; G796-M798 PolarHBondContact O-N 2.93Å; M798-L801 PolarHBondContact O-N 2.99Å; M798-L801 HydrophobicContact SD-CD1 4.45Å; M798-K802 WeakPolarHBondContact O-CB 3.18Å; M798-K802 PolarHBondContact O-N 3.36Å
799	D	90.5	Very high	87.3	Confident	105 Å²	105	73.3 Å²	73.3	56%	0.561	37%	0.368	S	S	*	.	H	α-helix	trans	-72.1	-35.6	176.7	-76.9	-40	0	0	0	111.2	G796 D797 K802 L803	G796-D799 PolarHBondContact O-N 3.31Å; D797-D799 VanDerWaalsContact C-N 3.35Å; D797-D799 PolarHBondContact O-N 3Å; D799-K802 PolarHBondContact O-N 3.17Å; D799-L803 WeakPolarHBondContact O-CB 3.46Å; D799-L803 VanDerWaalsContact O-CG 3.25Å; D799-L803 WeakPolarHBondContact O-CG 3.45Å; D799-L803 PolarHBondContact O-N 2.86Å
800	I	92.9	Very high	86.2	Confident	114 Å²	114	74.2 Å²	74.2	59%	0.585	37%	0.374	S	S	*	.	H	α-helix	trans	-62.7	-45.2	172.2	-62.1	169.9	0	0	0	110.1	G796 D797 K802 L803 K804	G796-I800 PolarHBondContact O-N 3.1Å; D797-I800 PolarHBondContact O-N 3.19Å; I800-K802 VanDerWaalsContact C-N 3.34Å; I800-K802 PolarHBondContact O-N 3.21Å; I800-L803 PolarHBondContact O-N 3.19Å; I800-K804 PolarHBondContact O-N 3.19Å
801	L	93.4	Very high	85.3	Confident	33 Å²	33	75.5 Å²	75.5	17%	0.173	39%	0.387	C	S	.	.	H	α-helix	trans	-63.7	-36.7	174.4	-69.1	-175.8	0	0	0	112.4	F471 D474 V475 D797 M798 K804	F471-L801 HydrophobicContact CD2-CB 4.27Å; F471-L801 HydrophobicContact CE2-CB 3.84Å; D474-L801 HydrophobicContact CB-CD1 4.36Å; D474-L801 HydrophobicContact CB-CD2 3.95Å; V475-L801 HydrophobicContact CG2-CD1 3.97Å; D797-L801 WeakPolarHBondContact O-CG 3.4Å; D797-L801 PolarHBondContact O-N 3.4Å; M798-L801 PolarHBondContact O-N 2.99Å; M798-L801 HydrophobicContact SD-CD1 4.45Å; L801-K804 WeakPolarHBondContact O-CB 3.25Å
802	K	91.8	Very high	84.6	Confident	79 Å²	79	73.3 Å²	73.3	34%	0.343	38%	0.377	S	S	.	.	H	α-helix	trans	-66.7	-46.7	175.8	-175	178.6	175.5	-178.8	0	111.6	F471 M798 D799 I800 K804 W805 W806	F471-K802 HydrophobicContact CE2-CB 4.27Å; M798-K802 WeakPolarHBondContact O-CB 3.18Å; M798-K802 PolarHBondContact O-N 3.36Å; D799-K802 PolarHBondContact O-N 3.17Å; I800-K802 VanDerWaalsContact C-N 3.34Å; I800-K802 PolarHBondContact O-N 3.21Å; K802-K804 PolarHBondContact O-N 3.34Å; K802-W805 PolarHBondContact O-N 3.44Å; K802-W806 HydrophobicContact CG-CE3 3.95Å; K802-W806 PolarHBondContact O-N 3.08Å
803	L	91	Very high	83.4	Confident	83 Å²	83	77.2 Å²	77.2	44%	0.435	40%	0.399	S	S	.	.	H	α-helix	trans	-62.2	-23.3	-179.7	-73.5	167.3	0	0	0	113.6	D799 I800 W805 P807 K808	D799-L803 WeakPolarHBondContact O-CB 3.46Å; D799-L803 VanDerWaalsContact O-CG 3.25Å; D799-L803 WeakPolarHBondContact O-CG 3.45Å; D799-L803 PolarHBondContact O-N 2.86Å; I800-L803 PolarHBondContact O-N 3.19Å; L803-W805 VanDerWaalsContact C-N 3.34Å; L803-P807 WeakPolarHBondContact O-CA 3.46Å; L803-K808 HydrophobicContact CD2-CD 4.36Å; L803-K808 HydrophobicContact CD2-CG 4.06Å
804	K	91.5	Very high	82.1	Confident	120 Å²	120	75.4 Å²	75.4	52%	0.522	39%	0.391	S	S	.	.	H	α-helix	trans	-65.7	-32.4	172.2	178.6	-174.4	170	-171	0	113.2	D474 I800 L801 K802	D474-K804 IonicContact OD1-NZ 2.9Å; D474-K804 PolarHBondContact OD1-NZ 3.09Å; D474-K804 WeakPolarHBondContact OD2-CD 3.48Å; D474-K804 WeakPolarHBondContact OD2-CE 3.35Å; D474-K804 IonicContact OD2-NZ 3.91Å; D474-K804 PolarHBondContact OD2-NZ 3.4Å; I800-K804 PolarHBondContact O-N 3.19Å; L801-K804 WeakPolarHBondContact O-CB 3.25Å; K802-K804 PolarHBondContact O-N 3.34Å
805	W	90.9	Very high	80.6	Confident	36 Å²	36	75.4 Å²	75.4	14%	0.136	39%	0.385	C	S	.	.	H	α-helix	trans	-106.7	-28.4	-176.2	-64.2	101.9	0	0	0	113.7	P453 M456 F471 D474 K802 L803 P807	P453-W805 HydrophobicContact CB-CB 4.49Å; P453-W805 HydrophobicContact CB-CE3 4.06Å; P453-W805 HydrophobicContact CG-CB 4.48Å; M456-W805 HydrophobicContact CE-CE3 3.94Å; M456-W805 HydrophobicContact CE-CH2 3.86Å; M456-W805 HydrophobicContact CE-CZ3 3.28Å; F471-W805 HydrophobicContact CB-CG 4.06Å; F471-W805 AromaticContact CD2-CD1 3.88Å; D474-W805 PolarHBondContact OD2-NE1 2.92Å; K802-W805 PolarHBondContact O-N 3.44Å; L803-W805 VanDerWaalsContact C-N 3.34Å; W805-P807 WeakPolarHBondContact O-CD 3.3Å
806	W	90.8	Very high	78.8	Confident	10 Å²	10	71.5 Å²	71.5	4%	0.038	37%	0.366	C	S	.	.	S	Bend	trans	-119.6	79.3	171.2	-65.6	-95.7	0	0	0	109.1	P453 F454 F471 M542 A745 K802	P453-W806 HydrophobicContact CG-CH2 3.52Å; P453-W806 HydrophobicContact CG-CZ2 3.34Å; P453-W806 HydrophobicContact CG-CZ3 4.22Å; F454-W806 HydrophobicContact CE1-CH2 4.1Å; F454-W806 HydrophobicContact CE2-CH2 4.11Å; F454-W806 HydrophobicContact CE2-CZ2 4.14Å; F454-W806 AromaticContact CZ-CH2 3.84Å; F454-W806 HydrophobicContact CZ-CH2 3.84Å; F454-W806 HydrophobicContact CZ-CZ2 4.15Å; F471-W806 HydrophobicContact CB-CH2 4.27Å; F471-W806 HydrophobicContact CB-CZ3 3.93Å; F471-W806 HydrophobicContact CD1-CH2 4.21Å; F471-W806 AromaticContact CD1-CZ3 3.93Å; F471-W806 HydrophobicContact CD1-CZ3 3.93Å; F471-W806 HydrophobicContact CD2-CZ3 4.3Å; F471-W806 HydrophobicContact CG-CH2 4.36Å; F471-W806 AromaticContact CG-CZ3 3.8Å; F471-W806 HydrophobicContact CG-CZ3 3.8Å; M542-W806 HydrophobicContact CE-CH2 4.07Å; M542-W806 HydrophobicContact CE-CZ2 4.31Å; M542-W806 HydrophobicContact CE-CZ3 4.29Å; M542-W806 HydrophobicContact SD-CH2 4.29Å; M542-W806 HydrophobicContact SD-CZ3 4.37Å; A745-W806 HydrophobicContact CB-CZ2 3.82Å; A745-W806 PolarHBondContact O-NE1 2.94Å; K802-W806 HydrophobicContact CG-CE3 3.95Å; K802-W806 PolarHBondContact O-N 3.08Å
807	P	85.4	Confident	76.9	Confident	59 Å²	59	74.9 Å²	74.9	38%	0.383	39%	0.386	S	S	.	.			trans	-69.9	146.9	177.8	30.1	-35.3	0	0	0	110.9	L803 W805	L803-P807 WeakPolarHBondContact O-CA 3.46Å; W805-P807 WeakPolarHBondContact O-CD 3.3Å
808	K	72.7	Confident	74.7	Confident	166 Å²	166	77.9 Å²	77.9	72%	0.722	40%	0.402	S	S	*	.	S	Bend	trans	-71.6	-34.1	175.3	-68	-178.1	177.7	176.9	0	112.7	L803 S810	L803-K808 HydrophobicContact CD2-CD 4.36Å; L803-K808 HydrophobicContact CD2-CG 4.06Å; K808-S810 PolarHBondContact O-N 2.95Å
809	D	68.6	Low	72.1	Confident	159 Å²	159	85.6 Å²	85.6	85%	0.85	44%	0.438	S	S	*	.	S	Bend	trans	-92.2	67.2	179.8	-52.5	-58.7	0	0	0	109.9
810	S	67.1	Low	69.7	Low	18 Å²	18	85 Å²	85	13%	0.126	44%	0.438	C	S	.	.			trans	-82.7	154.9	177.6	68.1	0	0	0	0	112.1	N752 K808 C812	N752-S810 WeakPolarHBondContact OD1-CB 3.35Å; N752-S810 PolarHBondContact OD1-OG 3.47Å; K808-S810 PolarHBondContact O-N 2.95Å; S810-C812 PolarHBondContact O-N 2.81Å; S810-C812 PolarHBondContact OG-O 2.66Å
811	P	66.5	Low	67.5	Low	116 Å²	116	88.5 Å²	88.5	75%	0.753	45%	0.445	S	S	*	.	S	Bend	trans	-62.7	-31.4	174.3	-21.4	33.5	0	0	0	112.7
812	C	69.9	Low	65.1	Low	5 Å²	5	95.9 Å²	95.9	3%	0.034	48%	0.478	C	S	.	.	S	Bend	trans	-106.6	78.1	-178.7	-61.2	0	0	0	0	110.4	A751 D754 C757 S810 L814	A751-C812 WeakPolarHBondContact O-CB 3.1Å; D754-C812 PolarHBondContact O-SG 2.84Å; C757-C812 WeakPolarHBondContact CA-SG 3.28Å; C757-C812 HydrophobicContact CB-CB 3.64Å; C757-C812 WeakPolarHBondContact CB-SG 3.32Å; C757-C812 WeakPolarHBondContact SG-CA 3.47Å; C757-C812 WeakPolarHBondContact SG-CB 3.37Å; C757-C812 CovalentContact SG-SG 2.04Å; C757-C812 PolarHBondContact SG-SG 3.09Å; S810-C812 PolarHBondContact O-N 2.81Å; S810-C812 PolarHBondContact OG-O 2.66Å; C812-L814 PolarHBondContact O-N 3.41Å
813	D	62.3	Low	62.8	Low	89 Å²	89	102.3 Å²	102.3	48%	0.476	50%	0.5	S	S	.	.			trans	-57.2	100.9	-174	-161.2	-33.2	0	0	0	112.5	Y815 S816	D813-Y815 VanDerWaalsContact C-N 3.3Å; D813-Y815 PolarHBondContact OD1-N 3.2Å; D813-S816 VanDerWaalsContact CG-OG 3.3Å; D813-S816 WeakPolarHBondContact OD1-CB 3.17Å; D813-S816 PolarHBondContact OD1-N 3.4Å; D813-S816 WeakPolarHBondContact OD2-CB 3.49Å; D813-S816 PolarHBondContact OD2-OG 3.24Å
814	L	59.1	Low	60.8	Low	36 Å²	36	102.2 Å²	102.2	19%	0.188	52%	0.519	C	S	.	.	S	Bend	trans	-77.2	-15.6	-179.9	-68.9	177.1	0	0	0	112.7	E748 A751 N752 C812	E748-L814 HydrophobicContact CG-CD1 4.19Å; A751-L814 HydrophobicContact CB-CD1 4.19Å; A751-L814 HydrophobicContact CB-CD2 4.1Å; N752-L814 WeakPolarHBondContact OD1-CD1 3.33Å; C812-L814 PolarHBondContact O-N 3.41Å
815	Y	53	Low	59.2	Low	170 Å²	170	102.4 Å²	102.4	67%	0.667	53%	0.526	S	S	*	.	S	Bend	trans	-115.6	-21	-167.8	-67.7	-74.6	0	0	0	114	D813 S817	D813-Y815 VanDerWaalsContact C-N 3.3Å; D813-Y815 PolarHBondContact OD1-N 3.2Å; Y815-S817 PolarHBondContact O-N 3.18Å
816	S	47.9	Very low	57.6	Low	26 Å²	26	105.4 Å²	105.4	18%	0.182	56%	0.558	C	S	.	*	T	Hydrogen-bonded Turn	trans	-73.2	6.9	-177	78.1	0	0	0	0	115.7	D813 D818 Q819 T820	D813-S816 VanDerWaalsContact CG-OG 3.3Å; D813-S816 WeakPolarHBondContact OD1-CB 3.17Å; D813-S816 PolarHBondContact OD1-N 3.4Å; D813-S816 WeakPolarHBondContact OD2-CB 3.49Å; D813-S816 PolarHBondContact OD2-OG 3.24Å; S816-D818 PolarHBondContact O-N 3.23Å; S816-Q819 PolarHBondContact O-N 2.98Å; S816-T820 PolarHBondContact O-N 3.46Å; S816-T820 PolarHBondContact O-OG1 2.95Å; S816-T820 VanDerWaalsContact O-OG1 3.09Å
817	S	47.2	Very low	56.4	Low	92 Å²	92	110 Å²	110	64%	0.643	58%	0.583	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.3	-22.2	179.2	56.7	0	0	0	0	113.6	Y815	Y815-S817 PolarHBondContact O-N 3.18Å
818	D	44.7	Very low	55.5	Low	110 Å²	110	110.8 Å²	110.8	59%	0.588	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.9	-34.2	172.5	-119.3	-5.3	0	0	0	114.5	S816 R821	S816-D818 PolarHBondContact O-N 3.23Å; D818-R821 IonicContact OD1-CZ 3.61Å; D818-R821 IonicContact OD1-NH1 2.73Å; D818-R821 PolarHBondContact OD1-NH1 3.49Å
819	Q	36.3	Very low	55.6	Low	171 Å²	171	108.6 Å²	108.6	80%	0.799	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.9	-34.3	-176.9	-68.5	-160.9	11.1	0	0	113.7	S816 R821	S816-Q819 PolarHBondContact O-N 2.98Å; Q819-R821 PolarHBondContact O-N 3.37Å; Q819-R821 VanDerWaalsContact O-N 3.13Å
820	T	40.9	Very low	55.7	Low	92 Å²	92	106.6 Å²	106.6	56%	0.564	56%	0.564	S	S	*	*	G	3₁₀ helix	trans	-70.3	-8.4	179.3	48.9	0	0	0	0	113.7	S816 Q822 R823	S816-T820 PolarHBondContact O-N 3.46Å; S816-T820 PolarHBondContact O-OG1 2.95Å; S816-T820 VanDerWaalsContact O-OG1 3.09Å; T820-Q822 PolarHBondContact O-N 3.03Å; T820-Q822 VanDerWaalsContact O-N 3.09Å; T820-R823 PolarHBondContact O-N 3Å
821	R	46	Very low	55.9	Low	189 Å²	189	107.4 Å²	107.4	71%	0.713	57%	0.57	S	S	*	*	G	3₁₀ helix	trans	-59.7	-16.6	177.9	-77.7	177.9	156.1	162.4	-6.8	115	D818 Q819	D818-R821 IonicContact OD1-CZ 3.61Å; D818-R821 IonicContact OD1-NH1 2.73Å; D818-R821 PolarHBondContact OD1-NH1 3.49Å; Q819-R821 PolarHBondContact O-N 3.37Å; Q819-R821 VanDerWaalsContact O-N 3.13Å
822	Q	43.6	Very low	56.4	Low	187 Å²	187	106.2 Å²	106.2	87%	0.874	55%	0.553	S	S	*	*	G	3₁₀ helix	trans	-92.3	-7	-178.3	-68.2	-157.7	-6.3	0	0	115.8	T820	T820-Q822 PolarHBondContact O-N 3.03Å; T820-Q822 VanDerWaalsContact O-N 3.09Å
823	R	44.1	Very low	57	Low	215 Å²	215	107.3 Å²	107.3	81%	0.811	56%	0.563	S	S	*	*	S	Bend	trans	-97.2	103.7	169.7	-80	-174.7	174.5	165.8	0.6	110.2	T820 N825	T820-R823 PolarHBondContact O-N 3Å; R823-N825 PolarHBondContact O-N 3.45Å; R823-N825 VanDerWaalsContact O-N 3.13Å
824	G	48.3	Very low	57.9	Low	81 Å²	81	103.1 Å²	103.1	84%	0.835	54%	0.54	S	S	*	.			trans	-61	112.3	167.4	0	0	0	0	0	109.9
825	N	57.3	Low	59.2	Low	124 Å²	124	104.5 Å²	104.5	66%	0.663	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-66.1	148.4	176.7	-67.7	-47.2	0	0	0	110.4	R823	R823-N825 PolarHBondContact O-N 3.45Å; R823-N825 VanDerWaalsContact O-N 3.13Å
826	A	58.9	Low	60.8	Low	98 Å²	98	102.4 Å²	102.4	81%	0.81	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-61.7	143.9	171.5	0	0	0	0	0	110.5	D828	A826-D828 PolarHBondContact O-N 2.98Å
827	L	64.8	Low	62.7	Low	107 Å²	107	104.2 Å²	104.2	56%	0.56	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-69.4	123.5	176.8	-77	160.6	0	0	0	110.2	L657 F832	L657-L827 HydrophobicContact CB-CD2 4.28Å; L657-L827 HydrophobicContact CD1-CD2 4.15Å; L657-L827 HydrophobicContact CD2-CD2 3.95Å; L657-L827 HydrophobicContact CG-CD2 4.36Å; L827-F832 HydrophobicContact CB-CE2 4.42Å; L827-F832 HydrophobicContact CD1-CE2 4.36Å
828	D	67.5	Low	64.6	Low	75 Å²	75	104.4 Å²	104.4	40%	0.401	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-75.8	146.7	178.9	-172	7.8	0	0	0	111.7	A826 H830 S831	A826-D828 PolarHBondContact O-N 2.98Å; D828-H830 PolarHBondContact O-N 3.14Å; D828-H830 IonicContact OD1-CD2 3.52Å; D828-H830 PolarHBondContact OD1-N 2.95Å; D828-H830 IonicContact OD2-CD2 3.37Å; D828-H830 PolarHBondContact OD2-CD2 3.07Å; D828-H830 IonicContact OD2-CG 3.85Å; D828-S831 WeakPolarHBondContact O-CB 3.48Å; D828-S831 PolarHBondContact O-N 3.08Å; D828-S831 VanDerWaalsContact O-N 3.16Å
829	I	74.4	Confident	66.8	Low	121 Å²	121	104.6 Å²	104.6	62%	0.621	55%	0.554	S	S	*	*	G	3₁₀ helix	trans	-63	-30.8	177.3	-167	168.3	0	0	0	111.7	S831 F832 A833	I829-S831 PolarHBondContact O-N 3.2Å; I829-F832 PolarHBondContact O-N 3.16Å; I829-A833 PolarHBondContact O-N 2.97Å
830	H	70.5	Confident	69.3	Low	117 Å²	117	99.1 Å²	99.1	54%	0.542	54%	0.538	S	S	.	.	G	3₁₀ helix	trans	-59.6	-33.8	175.6	-70.5	-77	0	0	0	112.6	V557 D828 F832 A833	V557-H830 HydrophobicContact CG1-CB 4.09Å; D828-H830 PolarHBondContact O-N 3.14Å; D828-H830 IonicContact OD1-CD2 3.52Å; D828-H830 PolarHBondContact OD1-N 2.95Å; D828-H830 IonicContact OD2-CD2 3.37Å; D828-H830 PolarHBondContact OD2-CD2 3.07Å; D828-H830 IonicContact OD2-CG 3.85Å; H830-F832 PolarHBondContact O-N 3.37Å; H830-A833 WeakPolarHBondContact O-CB 3.37Å; H830-A833 PolarHBondContact O-N 3.35Å
831	S	70.4	Confident	71.8	Confident	35 Å²	35	97.6 Å²	97.6	25%	0.245	54%	0.535	C	S	.	.	G	3₁₀ helix	trans	-69.9	-16.8	176.5	-55.9	0	0	0	0	114.1	D828 I829	D828-S831 WeakPolarHBondContact O-CB 3.48Å; D828-S831 PolarHBondContact O-N 3.08Å; D828-S831 VanDerWaalsContact O-N 3.16Å; I829-S831 PolarHBondContact O-N 3.2Å
832	F	77.2	Confident	73.9	Confident	90 Å²	90	90.5 Å²	90.5	40%	0.395	52%	0.52	S	S	.	.	G	3₁₀ helix	trans	-104.9	-2.6	177.2	-83.4	-87.7	0	0	0	113.8	L827 I829 H830 G834 V835 F836	L827-F832 HydrophobicContact CB-CE2 4.42Å; L827-F832 HydrophobicContact CD1-CE2 4.36Å; I829-F832 PolarHBondContact O-N 3.16Å; H830-F832 PolarHBondContact O-N 3.37Å; F832-G834 VanDerWaalsContact C-N 3.32Å; F832-G834 PolarHBondContact O-N 3.38Å; F832-V835 HydrophobicContact CD1-CG2 4.22Å; F832-V835 WeakPolarHBondContact O-CB 3.48Å; F832-V835 PolarHBondContact O-N 3.24Å; F832-F836 HydrophobicContact CB-CD2 4.39Å; F832-F836 HydrophobicContact CB-CE2 4Å; F832-F836 WeakPolarHBondContact O-CD2 3.49Å; F832-F836 PolarHBondContact O-N 3.31Å
833	A	81.9	Confident	76.3	Confident	29 Å²	29	85.5 Å²	85.5	24%	0.24	50%	0.503	C	S	.	.	H	α-helix	trans	-55	-40.7	-173.3	0	0	0	0	0	113.8	M559 I829 H830 V835 F836 C837	M559-A833 HydrophobicContact CG-CB 4Å; I829-A833 PolarHBondContact O-N 2.97Å; H830-A833 WeakPolarHBondContact O-CB 3.37Å; H830-A833 PolarHBondContact O-N 3.35Å; A833-V835 VanDerWaalsContact C-N 3.31Å; A833-V835 PolarHBondContact O-N 3.43Å; A833-F836 PolarHBondContact O-N 3.16Å; A833-C837 PolarHBondContact O-N 2.95Å; A833-C837 PolarHBondContact O-SG 2.89Å
834	G	82.7	Confident	78.7	Confident	0 Å²	0	79.5 Å²	79.5	0%	0	49%	0.489	C	S	.	.	H	α-helix	trans	-62.9	-32.2	176.8	0	0	0	0	0	114.2	M559 F832 C837 V838	M559-G834 WeakPolarHBondContact O-CA 3.36Å; M559-G834 PolarHBondContact O-N 2.95Å; F832-G834 VanDerWaalsContact C-N 3.32Å; F832-G834 PolarHBondContact O-N 3.38Å; G834-C837 PolarHBondContact O-N 3.43Å; G834-V838 WeakPolarHBondContact O-CG2 3.34Å; G834-V838 PolarHBondContact O-N 3.24Å
835	V	85.9	Confident	80.8	Confident	66 Å²	66	80.4 Å²	80.4	40%	0.4	48%	0.475	S	S	.	.	H	α-helix	trans	-67.5	-43.7	177.8	-176	0	0	0	0	110.3	C562 F832 A833 C837 V838 L839	C562-V835 HydrophobicContact CB-CG2 4.02Å; F832-V835 HydrophobicContact CD1-CG2 4.22Å; F832-V835 WeakPolarHBondContact O-CB 3.48Å; F832-V835 PolarHBondContact O-N 3.24Å; A833-V835 VanDerWaalsContact C-N 3.31Å; A833-V835 PolarHBondContact O-N 3.43Å; V835-C837 VanDerWaalsContact C-N 3.34Å; V835-C837 PolarHBondContact O-N 3.03Å; V835-V838 PolarHBondContact O-N 3.17Å; V835-L839 PolarHBondContact O-N 2.99Å
836	F	87.1	Confident	82.5	Confident	126 Å²	126	78.3 Å²	78.3	55%	0.553	47%	0.469	S	S	*	.	H	α-helix	trans	-64.6	-37.5	174	-66.6	-69.6	0	0	0	112.2	F832 A833 L839 A840	F832-F836 HydrophobicContact CB-CD2 4.39Å; F832-F836 HydrophobicContact CB-CE2 4Å; F832-F836 WeakPolarHBondContact O-CD2 3.49Å; F832-F836 PolarHBondContact O-N 3.31Å; A833-F836 PolarHBondContact O-N 3.16Å; F836-L839 PolarHBondContact O-N 3.3Å; F836-A840 WeakPolarHBondContact O-CB 3.38Å; F836-A840 PolarHBondContact O-N 2.69Å
837	C	86.8	Confident	84	Confident	64 Å²	64	76.9 Å²	76.9	43%	0.432	45%	0.453	S	S	.	.	H	α-helix	trans	-63.3	-43.6	175.2	-66.5	0	0	0	0	112.5	A833 G834 V835 A840 A841	A833-C837 PolarHBondContact O-N 2.95Å; A833-C837 PolarHBondContact O-SG 2.89Å; G834-C837 PolarHBondContact O-N 3.43Å; V835-C837 VanDerWaalsContact C-N 3.34Å; V835-C837 PolarHBondContact O-N 3.03Å; C837-A840 PolarHBondContact O-N 3.36Å; C837-A841 WeakPolarHBondContact O-CB 3.44Å; C837-A841 PolarHBondContact O-N 3.15Å
838	V	87.9	Confident	85.2	Confident	95 Å²	95	76.4 Å²	76.4	58%	0.576	45%	0.45	S	S	*	.	H	α-helix	trans	-64.5	-41.8	176.4	171.3	0	0	0	0	111.2	G834 V835 A841 G842	G834-V838 WeakPolarHBondContact O-CG2 3.34Å; G834-V838 PolarHBondContact O-N 3.24Å; V835-V838 PolarHBondContact O-N 3.17Å; V838-A841 PolarHBondContact O-N 2.87Å; V838-G842 PolarHBondContact O-N 3.17Å
839	L	89.8	Confident	86.4	Confident	115 Å²	115	76.9 Å²	76.9	60%	0.602	45%	0.452	S	S	*	.	H	α-helix	trans	-61	-47.4	175.5	178.9	61.9	0	0	0	111.7	V835 F836 A841 G842 V843	V835-L839 PolarHBondContact O-N 2.99Å; F836-L839 PolarHBondContact O-N 3.3Å; L839-A841 PolarHBondContact O-N 3.26Å; L839-G842 PolarHBondContact O-N 3.5Å; L839-V843 WeakPolarHBondContact O-CG2 3.24Å; L839-V843 PolarHBondContact O-N 2.99Å
840	A	90.6	Very high	87.1	Confident	56 Å²	56	73.7 Å²	73.7	46%	0.463	44%	0.443	S	S	.	.	H	α-helix	trans	-61	-44.1	177.9	0	0	0	0	0	112.1	F836 C837 G842 V843 V844	F836-A840 WeakPolarHBondContact O-CB 3.38Å; F836-A840 PolarHBondContact O-N 2.69Å; C837-A840 PolarHBondContact O-N 3.36Å; A840-G842 VanDerWaalsContact C-N 3.33Å; A840-G842 PolarHBondContact O-N 2.74Å; A840-V843 PolarHBondContact O-N 2.04Å; A840-V844 WeakPolarHBondContact O-CG2 3.38Å; A840-V844 PolarHBondContact O-N 3.36Å
841	A	91.4	Very high	87.9	Confident	60 Å²	60	74.5 Å²	74.5	50%	0.496	45%	0.449	S	S	.	.	H	α-helix	trans	-61.2	-40.5	175.4	0	0	0	0	0	112.3	C837 V838 L839 V844 L845	C837-A841 WeakPolarHBondContact O-CB 3.44Å; C837-A841 PolarHBondContact O-N 3.15Å; V838-A841 PolarHBondContact O-N 2.87Å; L839-A841 PolarHBondContact O-N 3.26Å; A841-V844 PolarHBondContact O-N 2.97Å; A841-L845 VanDerWaalsContact O-CB 3.31Å; A841-L845 WeakPolarHBondContact O-CB 3.41Å; A841-L845 PolarHBondContact O-N 2.7Å
842	G	91.6	Very high	88.7	Confident	40 Å²	40	76.5 Å²	76.5	41%	0.412	46%	0.46	S	S	.	.	H	α-helix	trans	-62.5	-43.2	175.7	0	0	0	0	0	113.3	V838 L839 A840 L845 S846	V838-G842 PolarHBondContact O-N 3.17Å; L839-G842 PolarHBondContact O-N 3.5Å; A840-G842 VanDerWaalsContact C-N 3.33Å; A840-G842 PolarHBondContact O-N 2.74Å; G842-L845 PolarHBondContact O-N 3.08Å; G842-S846 WeakPolarHBondContact O-CB 3.38Å; G842-S846 PolarHBondContact O-N 3.26Å
843	V	94	Very high	89.3	Confident	82 Å²	82	78.4 Å²	78.4	50%	0.497	47%	0.47	S	S	.	.	H	α-helix	trans	-63.7	-47.6	176	173.4	0	0	0	0	111	L839 A840 L845 S846 C847	L839-V843 WeakPolarHBondContact O-CG2 3.24Å; L839-V843 PolarHBondContact O-N 2.99Å; A840-V843 PolarHBondContact O-N 2.04Å; V843-L845 PolarHBondContact O-N 2.98Å; V843-S846 PolarHBondContact O-N 2.62Å; V843-C847 PolarHBondContact O-N 3.35Å; V843-C847 PolarHBondContact O-SG 2.95Å; V843-C847 VanDerWaalsContact O-SG 3.32Å
844	V	93.4	Very high	89.4	Confident	88 Å²	88	79.5 Å²	79.5	53%	0.533	48%	0.476	S	S	.	.	H	α-helix	trans	-60.6	-44.7	178	171.7	0	0	0	0	111.3	A840 A841 S846 C847 L848	A840-V844 WeakPolarHBondContact O-CG2 3.38Å; A840-V844 PolarHBondContact O-N 3.36Å; A841-V844 PolarHBondContact O-N 2.97Å; V844-S846 PolarHBondContact O-N 3.2Å; V844-C847 PolarHBondContact O-N 3.39Å; V844-L848 HydrophobicContact CG1-CD1 4.04Å; V844-L848 WeakPolarHBondContact O-CG 3.41Å; V844-L848 PolarHBondContact O-N 3.27Å
845	L	93.1	Very high	89.3	Confident	101 Å²	101	86.1 Å²	86.1	53%	0.529	50%	0.501	S	S	.	.	H	α-helix	trans	-63.6	-41.1	177.5	-177.6	60.4	0	0	0	112	A841 G842 V843 L848 I849	A841-L845 VanDerWaalsContact O-CB 3.31Å; A841-L845 WeakPolarHBondContact O-CB 3.41Å; A841-L845 PolarHBondContact O-N 2.7Å; G842-L845 PolarHBondContact O-N 3.08Å; V843-L845 PolarHBondContact O-N 2.98Å; L845-L848 PolarHBondContact O-N 3.15Å; L845-I849 HydrophobicContact CD1-CD1 4.17Å; L845-I849 HydrophobicContact CD1-CG1 4.4Å; L845-I849 HydrophobicContact CG-CD1 3.97Å; L845-I849 VanDerWaalsContact O-CG1 3.31Å; L845-I849 WeakPolarHBondContact O-CG1 3.44Å; L845-I849 PolarHBondContact O-N 3.43Å
846	S	92.4	Very high	89	Confident	79 Å²	79	90 Å²	90	55%	0.552	51%	0.509	S	S	*	.	H	α-helix	trans	-60.8	-45.3	174.9	-176.6	0	0	0	0	111.9	G842 V843 V844 L848 I849 A850	G842-S846 WeakPolarHBondContact O-CB 3.38Å; G842-S846 PolarHBondContact O-N 3.26Å; V843-S846 PolarHBondContact O-N 2.62Å; V844-S846 PolarHBondContact O-N 3.2Å; S846-L848 PolarHBondContact O-N 3.5Å; S846-I849 PolarHBondContact O-N 3.2Å; S846-A850 WeakPolarHBondContact O-CB 3.01Å; S846-A850 PolarHBondContact O-N 3Å
847	C	91.4	Very high	88.3	Confident	68 Å²	68	88 Å²	88	46%	0.459	51%	0.51	S	S	.	.	H	α-helix	trans	-61.9	-41.9	175.5	-66.4	0	0	0	0	112.5	V843 V844 A850 M851	V843-C847 PolarHBondContact O-N 3.35Å; V843-C847 PolarHBondContact O-SG 2.95Å; V843-C847 VanDerWaalsContact O-SG 3.32Å; V844-C847 PolarHBondContact O-N 3.39Å; C847-A850 PolarHBondContact O-N 2.94Å; C847-M851 WeakPolarHBondContact O-CG 3.03Å; C847-M851 PolarHBondContact O-N 3.33Å
848	L	90.1	Very high	87.5	Confident	98 Å²	98	94.4 Å²	94.4	51%	0.513	53%	0.525	S	S	.	.	H	α-helix	trans	-64.1	-42.9	176.5	-72.2	170.3	0	0	0	112	V844 L845 S846 M851 V852	V844-L848 HydrophobicContact CG1-CD1 4.04Å; V844-L848 WeakPolarHBondContact O-CG 3.41Å; V844-L848 PolarHBondContact O-N 3.27Å; L845-L848 PolarHBondContact O-N 3.15Å; S846-L848 PolarHBondContact O-N 3.5Å; L848-M851 PolarHBondContact O-N 3.41Å; L848-V852 WeakPolarHBondContact O-CG2 3.35Å; L848-V852 PolarHBondContact O-N 3.4Å
849	I	91.2	Very high	86.5	Confident	85 Å²	85	97.7 Å²	97.7	44%	0.436	53%	0.527	S	S	.	.	H	α-helix	trans	-61.8	-47.8	175.3	-69.2	166.5	0	0	0	110.2	L845 S846 M851 V852 E853	L845-I849 HydrophobicContact CD1-CD1 4.17Å; L845-I849 HydrophobicContact CD1-CG1 4.4Å; L845-I849 HydrophobicContact CG-CD1 3.97Å; L845-I849 VanDerWaalsContact O-CG1 3.31Å; L845-I849 WeakPolarHBondContact O-CG1 3.44Å; L845-I849 PolarHBondContact O-N 3.43Å; S846-I849 PolarHBondContact O-N 3.2Å; I849-M851 VanDerWaalsContact C-N 3.3Å; I849-M851 PolarHBondContact O-N 3.09Å; I849-V852 PolarHBondContact O-N 2.93Å; I849-V852 VanDerWaalsContact O-N 3.07Å; I849-E853 HydrophobicContact CG2-CG 4.23Å; I849-E853 WeakPolarHBondContact O-CG 3.47Å; I849-E853 PolarHBondContact O-N 3.49Å
850	A	90.5	Very high	85	Confident	53 Å²	53	99.8 Å²	99.8	44%	0.438	53%	0.532	S	S	.	.	H	α-helix	trans	-60.4	-36.4	178	0	0	0	0	0	113	S846 C847 S854	S846-A850 WeakPolarHBondContact O-CB 3.01Å; S846-A850 PolarHBondContact O-N 3Å; C847-A850 PolarHBondContact O-N 2.94Å; A850-S854 WeakPolarHBondContact O-CB 3.45Å; A850-S854 PolarHBondContact O-N 2.98Å
851	M	87.2	Confident	83.1	Confident	135 Å²	135	100.2 Å²	100.2	67%	0.665	54%	0.541	S	S	*	.	H	α-helix	trans	-64.4	-45.4	172	-74	-175.8	-179	0	0	112	C847 L848 I849 S854 W855	C847-M851 WeakPolarHBondContact O-CG 3.03Å; C847-M851 PolarHBondContact O-N 3.33Å; L848-M851 PolarHBondContact O-N 3.41Å; I849-M851 VanDerWaalsContact C-N 3.3Å; I849-M851 PolarHBondContact O-N 3.09Å; M851-S854 PolarHBondContact O-N 2.99Å; M851-W855 VanDerWaalsContact O-CB 3.29Å; M851-W855 WeakPolarHBondContact O-CB 3.34Å; M851-W855 PolarHBondContact O-N 2.91Å
852	V	86.9	Confident	81.2	Confident	77 Å²	77	102.4 Å²	102.4	47%	0.467	55%	0.553	S	S	.	*	H	α-helix	trans	-65	-41.8	178.1	171	0	0	0	0	111.5	L848 I849 W855 W856	L848-V852 WeakPolarHBondContact O-CG2 3.35Å; L848-V852 PolarHBondContact O-N 3.4Å; I849-V852 PolarHBondContact O-N 2.93Å; I849-V852 VanDerWaalsContact O-N 3.07Å; V852-W855 PolarHBondContact O-N 3.36Å; V852-W856 HydrophobicContact CG1-CE3 4.39Å; V852-W856 WeakPolarHBondContact O-CB 3.43Å; V852-W856 PolarHBondContact O-N 3.49Å
853	E	90.2	Very high	79	Confident	129 Å²	129	111.6 Å²	111.6	60%	0.603	58%	0.575	S	S	*	*	H	α-helix	trans	-64.6	-44.4	175.5	-72.5	-170.7	151.2	0	0	112	I849 W855 W856 S857	I849-E853 HydrophobicContact CG2-CG 4.23Å; I849-E853 WeakPolarHBondContact O-CG 3.47Å; I849-E853 PolarHBondContact O-N 3.49Å; E853-W855 VanDerWaalsContact C-N 3.31Å; E853-W855 PolarHBondContact O-N 3.42Å; E853-W856 PolarHBondContact O-N 2.93Å; E853-S857 WeakPolarHBondContact O-CB 3.44Å; E853-S857 PolarHBondContact O-N 3.48Å
854	S	83.1	Confident	76.4	Confident	53 Å²	53	114.2 Å²	114.2	37%	0.371	59%	0.591	S	S	.	*	H	α-helix	trans	-60.7	-41.8	175.2	-160.3	0	0	0	0	111.3	A850 M851 R858	A850-S854 WeakPolarHBondContact O-CB 3.45Å; A850-S854 PolarHBondContact O-N 2.98Å; M851-S854 PolarHBondContact O-N 2.99Å; S854-R858 VanDerWaalsContact O-CB 3.31Å; S854-R858 WeakPolarHBondContact O-CB 3.36Å; S854-R858 WeakPolarHBondContact O-CD 3.39Å; S854-R858 WeakPolarHBondContact O-CG 3.34Å; S854-R858 PolarHBondContact O-N 3.3Å; S854-R858 PolarHBondContact OG-NE 3.36Å
855	W	81.8	Confident	74	Confident	138 Å²	138	115.8 Å²	115.8	52%	0.523	60%	0.603	S	S	.	*	H	α-helix	trans	-65.8	-41.9	176.5	-178.5	92.7	0	0	0	112.9	M851 V852 E853 R859	M851-W855 VanDerWaalsContact O-CB 3.29Å; M851-W855 WeakPolarHBondContact O-CB 3.34Å; M851-W855 PolarHBondContact O-N 2.91Å; V852-W855 PolarHBondContact O-N 3.36Å; E853-W855 VanDerWaalsContact C-N 3.31Å; E853-W855 PolarHBondContact O-N 3.42Å; W855-R859 VanDerWaalsContact CH2-NH1 3.27Å; W855-R859 VanDerWaalsContact CZ2-NH2 3.32Å; W855-R859 WeakPolarHBondContact O-CG 3.39Å; W855-R859 PolarHBondContact O-N 3.11Å
856	W	78.8	Confident	71.2	Confident	148 Å²	148	116.1 Å²	116.1	56%	0.561	61%	0.614	S	S	*	*	H	α-helix	trans	-71.9	-39.7	178	-149.2	-38.7	0	0	0	111.8	V852 E853 R859 K860	V852-W856 HydrophobicContact CG1-CE3 4.39Å; V852-W856 WeakPolarHBondContact O-CB 3.43Å; V852-W856 PolarHBondContact O-N 3.49Å; E853-W856 PolarHBondContact O-N 2.93Å; W856-R859 WeakPolarHBondContact O-CB 3.47Å; W856-R859 PolarHBondContact O-N 3.16Å; W856-K860 PolarHBondContact O-N 3.43Å; W856-K860 VanDerWaalsContact O-N 3.1Å
857	S	71.7	Confident	68.3	Low	83 Å²	83	122.4 Å²	122.4	58%	0.58	63%	0.631	S	S	*	*	H	α-helix	trans	-61.8	-49.5	175.3	-176	0	0	0	0	111.3	E853 R859 K860 G861	E853-S857 WeakPolarHBondContact O-CB 3.44Å; E853-S857 PolarHBondContact O-N 3.48Å; S857-R859 PolarHBondContact O-N 3.16Å; S857-R859 VanDerWaalsContact O-N 3.15Å; S857-K860 PolarHBondContact O-N 3.02Å; S857-G861 PolarHBondContact O-N 2.96Å
858	R	70.3	Confident	65.6	Low	199 Å²	199	127.9 Å²	127.9	75%	0.751	65%	0.65	S	S	*	*	H	α-helix	trans	-56.7	-29.4	173.4	-72.6	169.5	-170.5	-130.6	1.2	113.1	S854	S854-R858 VanDerWaalsContact O-CB 3.31Å; S854-R858 WeakPolarHBondContact O-CB 3.36Å; S854-R858 WeakPolarHBondContact O-CD 3.39Å; S854-R858 WeakPolarHBondContact O-CG 3.34Å; S854-R858 PolarHBondContact O-N 3.3Å; S854-R858 PolarHBondContact OG-NE 3.36Å
859	R	66.3	Low	62.8	Low	165 Å²	165	127.2 Å²	127.2	62%	0.623	66%	0.659	S	S	*	*	H	α-helix	trans	-80.2	-21	174.4	-75.9	175.3	168.6	-144.8	-6.8	114.7	W855 W856 S857	W855-R859 VanDerWaalsContact CH2-NH1 3.27Å; W855-R859 VanDerWaalsContact CZ2-NH2 3.32Å; W855-R859 WeakPolarHBondContact O-CG 3.39Å; W855-R859 PolarHBondContact O-N 3.11Å; W856-R859 WeakPolarHBondContact O-CB 3.47Å; W856-R859 PolarHBondContact O-N 3.16Å; S857-R859 PolarHBondContact O-N 3.16Å; S857-R859 VanDerWaalsContact O-N 3.15Å
860	K	58.8	Low	59.8	Low	159 Å²	159	132.4 Å²	132.4	69%	0.691	68%	0.681	S	S	*	*	H	α-helix	trans	-94.3	-21.1	177.5	-81.1	-179.7	173.4	173.7	0	113.7	W856 S857 S862	W856-K860 PolarHBondContact O-N 3.43Å; W856-K860 VanDerWaalsContact O-N 3.1Å; S857-K860 PolarHBondContact O-N 3.02Å; K860-S862 PolarHBondContact O-N 3.27Å
861	G	51.9	Low	57	Low	65 Å²	65	134.2 Å²	134.2	67%	0.67	70%	0.696	S	S	*	*			trans	-69.2	9	-174.2	0	0	0	0	0	118.1	S857	S857-G861 PolarHBondContact O-N 2.96Å
862	S	49.8	Very low	54.4	Low	106 Å²	106	136.2 Å²	136.2	74%	0.741	71%	0.709	S	S	*	*			trans	-96.9	18.3	-171	-53.2	0	0	0	0	115.9	K860	K860-S862 PolarHBondContact O-N 3.27Å
863	R	45.9	Very low	51.6	Low	233 Å²	233	135.7 Å²	135.7	88%	0.879	72%	0.72	S	S	*	*	S	Bend	trans	-148.5	121.9	166.2	-59.3	-177.8	179.4	171.6	-1.1	105.4
864	V	39.1	Very low	49.5	Very low	136 Å²	136	135.7 Å²	135.7	82%	0.824	73%	0.731	S	S	*	*	S	Bend	cis	-146.3	156.3	36.9	163.1	0	0	0	0	108.4
865	P	43.3	Very low	47	Very low	122 Å²	122	139 Å²	139	79%	0.792	75%	0.754	S	S	*	*			trans	-80.2	171.2	-161	31.9	-38.6	0	0	0	117.3
866	S	34.2	Very low	44.5	Very low	108 Å²	108	137 Å²	137	76%	0.755	77%	0.767	S	S	*	*			trans	-69.5	159.5	-176.9	46.6	0	0	0	0	115.8
867	K	31.1	Very low	42.1	Very low	211 Å²	211	138.4 Å²	138.4	92%	0.917	78%	0.782	S	S	*	*			trans	-132.6	121.5	155.1	-96.5	-164.5	171.7	-169.5	0	111.9
868	E	34.7	Very low	40.2	Very low	182 Å²	182	143.7 Å²	143.7	85%	0.85	80%	0.798	S	S	*	*			trans	-72.5	171.6	156.9	-64.1	158.8	145	0	0	109.8
869	A	32.2	Very low	38.2	Very low	84 Å²	84	138.3 Å²	138.3	69%	0.694	80%	0.796	S	S	*	*			cis	-172.9	143.9	-32.9	0	0	0	0	0	107.6
870	Q	28.6	Very low	36.4	Very low	195 Å²	195	134.9 Å²	134.9	91%	0.911	80%	0.803	S	S	*	*			trans	-167.4	113.7	155.7	-111.1	158.7	-28.3	0	0	107
871	A	31.6	Very low	35.1	Very low	91 Å²	91	134.1 Å²	134.1	75%	0.752	81%	0.806	S	S	*	*			cis	91.9	81.5	34.6	0	0	0	0	0	113.3
872	D	31.8	Very low	33.9	Very low	176 Å²	176	135.9 Å²	135.9	94%	0.941	81%	0.808	S	S	*	*			trans	-125.8	158.3	152.4	-97.9	-42.7	0	0	0	108.1
873	G	29	Very low	32.7	Very low	67 Å²	67	136.3 Å²	136.3	69%	0.691	81%	0.81	S	S	*	*			trans	-157.3	-150.1	172.9	0	0	0	0	0	109
874	P	46.1	Very low	32.9	Very low	128 Å²	128	129.7 Å²	129.7	83%	0.831	80%	0.797	S	S	*	*			cis	-127.2	164.3	-21.2	38.8	-25.4	0	0	0	112.3
875	S	29.6	Very low	32.4	Very low	123 Å²	123	132.5 Å²	132.5	86%	0.86	80%	0.801	S	S	*	*			trans	-151.2	125.1	161.1	-75	0	0	0	0	110.2
876	A	30.5	Very low	31.6	Very low	96 Å²	96	129.8 Å²	129.8	79%	0.793	80%	0.795	S	S	*	*			trans	-71.8	147.1	174.1	0	0	0	0	0	110
877	M	27.3	Very low	32.1	Very low	177 Å²	177	130.9 Å²	130.9	87%	0.872	80%	0.799	S	S	*	*			cis	74	87.6	34.8	-169.7	-177	170	0	0	114.6
878	Q	31.2	Very low	31.8	Very low	195 Å²	195	127.1 Å²	127.1	91%	0.911	79%	0.789	S	S	*	*			trans	-176.8	145.2	145	-101	165.5	18.1	0	0	108.1
879	A	28.8	Very low	31.5	Very low	86 Å²	86	125.7 Å²	125.7	71%	0.711	78%	0.783	S	S	*	*			cis	-166.6	161.1	-23.4	0	0	0	0	0	110.2
880	A	29.6	Very low	31.3	Very low	93 Å²	93	129.9 Å²	129.9	77%	0.769	79%	0.787	S	S	*	*			trans	68	157.3	152.5	0	0	0	0	0	120.6
881	D	30.3	Very low	32	Very low	143 Å²	143	125.5 Å²	125.5	77%	0.765	78%	0.776	S	S	*	*			cis	-169	169.6	-46.2	-135.4	-51.5	0	0	0	111.1
882	S	26.7	Very low	31.7	Very low	101 Å²	101	128.5 Å²	128.5	71%	0.706	78%	0.778	S	S	*	*			trans	70.5	149.5	151.8	80.3	0	0	0	0	118.8
883	C	24.6	Very low	31.4	Very low	115 Å²	115	124.9 Å²	124.9	78%	0.777	77%	0.767	S	S	*	*			cis	177.4	-172.9	-23.6	-111.1	0	0	0	0	107.9
884	P	49.7	Very low	31.2	Very low	94 Å²	94	130 Å²	130	61%	0.61	78%	0.777	S	S	*	*			cis	-139.8	177.5	-39.8	39.4	-23.2	0	0	0	114.8
885	H	28.8	Very low	30.1	Very low	196 Å²	196	127.3 Å²	127.3	91%	0.907	77%	0.774	S	S	*	*			trans	59.7	172.2	150.7	-64.9	-41.2	0	0	0	118.6
886	G	27.6	Very low	29.9	Very low	64 Å²	64	126.4 Å²	126.4	66%	0.66	77%	0.767	S	S	*	*			cis	-154.3	-157.2	12.1	0	0	0	0	0	115.5
887	P	43.8	Very low	29.7	Very low	132 Å²	132	130.2 Å²	130.2	86%	0.857	77%	0.768	S	S	*	*			trans	-107.8	-173.9	-147.9	42.2	-39.7	0	0	0	118.5
888	N	26.3	Very low	29.5	Very low	132 Å²	132	127.3 Å²	127.3	71%	0.706	76%	0.761	S	S	*	*			trans	-38.2	151.3	178.7	-74.6	29.8	0	0	0	120.9
889	E	27.4	Very low	29.3	Very low	152 Å²	152	125.4 Å²	125.4	71%	0.71	75%	0.752	S	S	*	*			trans	52.4	126.1	133.9	-61.9	173.4	120	0	0	122.9
890	H	27.1	Very low	29.1	Very low	171 Å²	171	126.3 Å²	126.3	79%	0.792	75%	0.745	S	S	*	*			trans	68.3	166.5	142.3	-87.2	-41.9	0	0	0	119.6
891	P	43.3	Very low	29	Very low	103 Å²	103	129.2 Å²	129.2	67%	0.669	74%	0.742	S	S	*	*			cis	-131.7	167.9	-14.7	30.8	-10.7	0	0	0	116.2
892	L	25.6	Very low	28.9	Very low	154 Å²	154	128.3 Å²	128.3	81%	0.806	74%	0.742	S	S	*	*			trans	51.9	111.8	142.4	-71.6	165.8	0	0	0	122.3
893	S	25.7	Very low	28.9	Very low	101 Å²	101	127.4 Å²	127.4	71%	0.706	74%	0.736	S	S	*	*				118.7	144.3	108.8	74.8	0	0	0	0	121.1
894	L	24.2	Very low	29.1	Very low	173 Å²	173	128.6 Å²	128.6	91%	0.906	74%	0.735	S	S	*	*			trans	63.9	114.1	160.4	-92.6	73.2	0	0	0	122.3
895	G	24.8	Very low	28.2	Very low	73 Å²	73	130 Å²	130	75%	0.753	74%	0.742	S	S	*	*			trans	79.2	159.7	139.7	0	0	0	0	0	119.3
896	S	23.8	Very low	28.2	Very low	104 Å²	104	124.5 Å²	124.5	73%	0.727	73%	0.73	S	S	*	*			cis	-178.1	129.4	-24.2	41.6	0	0	0	0	110.9
897	Q	26.1	Very low	28.3	Very low	175 Å²	175	128.7 Å²	128.7	82%	0.818	74%	0.738	S	S	*	*			trans	63.9	153.1	153.3	-64.9	-175.9	-28.7	0	0	121.5
898	T	24.5	Very low	27.6	Very low	116 Å²	116	128.8 Å²	128.8	71%	0.712	74%	0.736	S	S	*	*			trans	65.7	144.1	149.3	41.6	0	0	0	0	119.9
899	Q	26.8	Very low	27.7	Very low	156 Å²	156	127.6 Å²	127.6	73%	0.729	74%	0.744	S	S	*	*			cis	-165.5	174.2	-13.9	-135.8	175.9	-4.8	0	0	111.2
900	N	24.9	Very low	27.7	Very low	104 Å²	104	123.8 Å²	123.8	56%	0.556	75%	0.746	S	S	*	*			trans	68.6	109.2	143.9	-74.2	-4.5	0	0	0	123.6
901	Q	27.6	Very low	27.7	Very low	154 Å²	154	120.9 Å²	120.9	72%	0.72	75%	0.745	S	S	*	*				69.7	145.2	108	-72.2	-178.9	-25.7	0	0	123.3
902	T	26.8	Very low	26.9	Very low	124 Å²	124	122.4 Å²	122.4	76%	0.761	75%	0.752	S	S	*	*			trans	71.1	148	143.4	50.7	0	0	0	0	119.5
903	S	27.6	Very low	27	Very low	82 Å²	82	119 Å²	119	57%	0.573	75%	0.747	S	S	*	*			cis	-174.6	-178.1	-12.1	51.3	0	0	0	0	111.7
904	N	29.5	Very low	27.1	Very low	140 Å²	140	120.4 Å²	120.4	75%	0.749	75%	0.751	S	S	*	*			trans	77.4	148.6	150.3	-66.2	-14	0	0	0	118.3
905	T	29.6	Very low	27.3	Very low	124 Å²	124	119.4 Å²	119.4	76%	0.761	74%	0.742	S	S	*	*			cis	-163.9	162.5	-0.5	8.4	0	0	0	0	113.4
906	A	29.3	Very low	27.2	Very low	80 Å²	80	125.4 Å²	125.4	66%	0.661	74%	0.743	S	S	*	*			trans	65.7	124.5	146.2	0	0	0	0	0	119.7
907	N	29.7	Very low	27.3	Very low	153 Å²	153	128 Å²	128	82%	0.818	74%	0.743	S	S	*	*				74.7	138.7	70.4	-61.4	-8.3	0	0	0	113.4
908	T	29.4	Very low	28.1	Very low	133 Å²	133	125 Å²	125	82%	0.816	74%	0.739	S	S	*	*			cis	-160.7	153.1	8.1	-3.7	0	0	0	0	113
909	A	28.4	Very low	29	Very low	107 Å²	107	124.6 Å²	124.6	88%	0.884	74%	0.738	S	S	*	*			trans	22	140.4	153.8	0	0	0	0	0	124.5
910	G	26.5	Very low	29.2	Very low	72 Å²	72	121.5 Å²	121.5	74%	0.742	74%	0.74	S	S	*	*			trans	177.5	93.8	164.6	0	0	0	0	0	119.6
911	S	27	Very low	29.3	Very low	111 Å²	111	122.1 Å²	122.1	78%	0.776	75%	0.751	S	S	*	*			trans	22.3	114.2	148.9	59.9	0	0	0	0	125.1
912	T	26.8	Very low	29.3	Very low	134 Å²	134	119.9 Å²	119.9	82%	0.822	75%	0.751	S	S	*	*				46	117.2	126.8	57.9	0	0	0	0	125.4
913	A	27.7	Very low	29.3	Very low	84 Å²	84	119.9 Å²	119.9	69%	0.694	75%	0.746	S	S	*	*				86.6	130.4	117.1	0	0	0	0	0	125
914	T	28.2	Very low	29.3	Very low	130 Å²	130	122.3 Å²	122.3	80%	0.798	75%	0.751	S	S	*	*			trans	70.2	148.9	149.3	57.6	0	0	0	0	120
915	H	28	Very low	29.8	Very low	152 Å²	152	121.2 Å²	121.2	70%	0.704	75%	0.752	S	S	*	*			cis	-161.4	172.7	-1.1	-138.4	-77.2	0	0	0	113.2
916	Y	22.3	Very low	29.6	Very low	199 Å²	199	121 Å²	121	78%	0.78	75%	0.754	S	S	*	*			trans	93.4	161.6	155.5	-91.5	-74.9	0	0	0	123.4
917	Q	26.9	Very low	29.5	Very low	158 Å²	158	121.4 Å²	121.4	74%	0.738	76%	0.758	S	S	*	*			trans	-127.5	-169.7	-150.8	-71.7	165.4	-90.1	0	0	112.9
918	P	41.7	Very low	29.3	Very low	112 Å²	112	121 Å²	121	73%	0.727	76%	0.755	S	S	*	*			cis	-127	-129.3	-4.4	37.5	-13.9	0	0	0	111.1
919	P	45.1	Very low	29.1	Very low	107 Å²	107	121.9 Å²	121.9	70%	0.695	75%	0.753	S	S	*	*			cis	-135.9	161.2	-33.2	36.4	-17.6	0	0	0	118.1
920	A	30.8	Very low	28.9	Very low	92 Å²	92	122.6 Å²	122.6	76%	0.76	75%	0.746	S	S	*	*			trans	58.1	154.4	135.3	0	0	0	0	0	124.9
921	C	26.6	Very low	28.8	Very low	117 Å²	117	127.9 Å²	127.9	79%	0.791	75%	0.751	S	S	*	*			cis	-173.4	170.7	-23.4	-102.1	0	0	0	0	113
922	C	26.9	Very low	28.6	Very low	107 Å²	107	131.1 Å²	131.1	72%	0.723	75%	0.754	S	S	*	*			trans	74.5	144.6	158.1	-69.2	0	0	0	0	119.4
923	D	26.4	Very low	28.5	Very low	124 Å²	124	129.8 Å²	129.8	66%	0.663	75%	0.75	S	S	*	*			cis	-157.1	145	0.4	-107.7	-15.6	0	0	0	114.4
924	I	28.4	Very low	28.3	Very low	132 Å²	132	137 Å²	137	68%	0.677	76%	0.761	S	S	*	*			trans	50.4	135.1	133.2	-61.2	170.4	0	0	0	119.2
925	P	39.5	Very low	28.4	Very low	117 Å²	117	139 Å²	139	76%	0.76	76%	0.761	S	S	*	*			cis	-122.9	-113.7	30.9	15.3	11.5	0	0	0	119.2
926	C	26.6	Very low	28.6	Very low	119 Å²	119	137.9 Å²	137.9	80%	0.804	77%	0.767	S	S	*	*				-161.8	167.6	-121.6	-72.9	0	0	0	0	112.2
927	A	27.4	Very low	28.8	Very low	89 Å²	89	134.8 Å²	134.8	74%	0.736	77%	0.769	S	S	*	*			cis	-141.3	-135.5	-0.8	0	0	0	0	0	108.4
928	L	24.8	Very low	28.9	Very low	146 Å²	146	134.6 Å²	134.6	76%	0.764	77%	0.773	S	S	*	*			cis	-162.6	113.5	3.7	-167.9	126.3	0	0	0	112.9
929	I	25	Very low	28.8	Very low	150 Å²	150	134.2 Å²	134.2	77%	0.769	77%	0.771	S	S	*	*			trans	62.5	141.5	154.9	-64.9	174.5	0	0	0	119.2
930	V	24.9	Very low	27.8	Very low	122 Å²	122	133.8 Å²	133.8	74%	0.739	77%	0.77	S	S	*	*			cis	173.3	133.9	-42.7	143.6	0	0	0	0	107.6
931	Q	23	Very low	27.6	Very low	184 Å²	184	138.3 Å²	138.3	86%	0.86	78%	0.776	S	S	*	*			trans	-172.5	154.8	132.2	-106.4	-173.4	-12.8	0	0	114.9
932	H	23.9	Very low	27.7	Very low	179 Å²	179	140.3 Å²	140.3	83%	0.829	78%	0.777	S	S	*	*			trans	-36.8	154.8	-170.1	-76.6	-87.8	0	0	0	122.6
933	S	24.5	Very low	27.6	Very low	105 Å²	105	140.5 Å²	140.5	73%	0.734	78%	0.775	S	S	*	*			trans	-109.2	161.7	165.5	52.8	0	0	0	0	112.6
934	Y	23.7	Very low	27.8	Very low	235 Å²	235	140.8 Å²	140.8	92%	0.922	78%	0.784	S	S	*	*			trans	-163.1	149.2	141.8	-118.4	-78.4	0	0	0	110.9
935	E	30.5	Very low	27.7	Very low	173 Å²	173	143.9 Å²	143.9	81%	0.808	79%	0.792	S	S	*	*			trans	-79.2	162.3	175.9	-69.9	177.7	124	0	0	112.6
936	P	31.2	Very low	27	Very low	128 Å²	128	147.8 Å²	147.8	83%	0.831	80%	0.803	S	S	*	*				-148.8	-172.6	96	41.5	-24.6	0	0	0	115.7
937	T	28	Very low	26.9	Very low	134 Å²	134	153.5 Å²	153.5	82%	0.822	81%	0.807	S	S	*	*			trans	-92.4	169.9	-174.3	45.6	0	0	0	0	115.9
938	N	27.8	Very low	26.8	Very low	154 Å²	154	157.8 Å²	157.8	82%	0.824	81%	0.814	S	S	*	*			trans	-42.5	168	162.8	-110.2	-10.1	0	0	0	115.6
939	P	39	Very low	26.8	Very low	105 Å²	105	157.3 Å²	157.3	68%	0.682	82%	0.818	S	S	*	*			cis	-144	-179.8	14.5	37.5	-15.1	0	0	0	118.8
940	S	25.8	Very low	26.9	Very low	97 Å²	97	155.6 Å²	155.6	68%	0.678	81%	0.814	S	S	*	*			trans	65.7	129.9	139.5	61.3	0	0	0	0	125.1
941	E	26.6	Very low	26.8	Very low	187 Å²	187	159.7 Å²	159.7	87%	0.874	82%	0.822	S	S	*	*			trans	76.4	161.6	143.2	-75.2	-162.7	146.6	0	0	123.6
942	I	27.6	Very low	27	Very low	160 Å²	160	156.6 Å²	156.6	82%	0.821	82%	0.816	S	S	*	*			trans	96.8	135.7	167.4	-55.2	-177.3	0	0	0	118.6
943	T	25.9	Very low	27.2	Very low	111 Å²	111	154.1 Å²	154.1	68%	0.681	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-62.1	154.4	-172.2	55.8	0	0	0	0	117.1
944	P	29.9	Very low	27.3	Very low	130 Å²	130	154.3 Å²	154.3	84%	0.844	82%	0.816	S	S	*	*	P	Polyproline II helix	trans	-76.9	127.9	167.2	32.4	-33.2	0	0	0	112.5
945	K	25.8	Very low	28.1	Very low	197 Å²	197	147.8 Å²	147.8	86%	0.857	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-100	119.9	159.2	-83.8	-177.6	174.8	175.6	0	109.3
946	M	25.9	Very low	28.4	Very low	198 Å²	198	145.8 Å²	145.8	98%	0.975	80%	0.804	S	S	*	*	P	Polyproline II helix	trans	-60.5	141.7	164.9	-86.6	-174.5	169	0	0	110.2
947	R	24.2	Very low	28.4	Very low	239 Å²	239	145.7 Å²	145.7	90%	0.902	80%	0.801	S	S	*	*			trans	-130	129	169.6	-155.4	177.1	-163.8	-178.5	5	110.2
948	M	24.6	Very low	29.2	Very low	179 Å²	179	144.5 Å²	144.5	88%	0.882	80%	0.795	S	S	*	*			trans	-63.4	141.7	179.8	-126.9	173.1	-175.9	0	0	111.9
949	T	26	Very low	29.2	Very low	136 Å²	136	148.1 Å²	148.1	83%	0.834	80%	0.798	S	S	*	*			trans	-128.7	117.3	160.1	44	0	0	0	0	109.7
950	T	25.4	Very low	28.6	Very low	114 Å²	114	150.2 Å²	150.2	70%	0.699	80%	0.802	S	S	*	*			trans	-86.2	148.3	-178	46.4	0	0	0	0	112.4
951	F	24.6	Very low	28.8	Very low	208 Å²	208	155.8 Å²	155.8	91%	0.912	81%	0.81	S	S	*	*			trans	-132.7	133.1	159.5	-93.4	-81.2	0	0	0	111.7
952	T	25.4	Very low	29.3	Very low	119 Å²	119	153.9 Å²	153.9	73%	0.73	80%	0.804	S	S	*	*			trans	-150.3	131.2	174.2	53.4	0	0	0	0	105.3
953	T	28.1	Very low	29.9	Very low	128 Å²	128	158.5 Å²	158.5	79%	0.785	82%	0.823	S	S	*	*				-179.1	157.8	73.8	42	0	0	0	0	109.7
954	S	27	Very low	30.1	Very low	109 Å²	109	160.9 Å²	160.9	76%	0.762	83%	0.83	S	S	*	*			cis	-160.5	-121.2	-11.5	52.8	0	0	0	0	111.5
955	P	41.9	Very low	30.2	Very low	98 Å²	98	162.5 Å²	162.5	64%	0.636	83%	0.829	S	S	*	*			trans	-104.8	-174.1	-166	47.8	-36.8	0	0	0	114.1	T957	P955-T957 HydrophobicContact CB-CG2 4.4Å
956	P	35.3	Very low	30.4	Very low	130 Å²	130	160.6 Å²	160.6	84%	0.844	83%	0.827	S	S	*	*				-127.4	-173.2	76.5	38.9	-27.5	0	0	0	114.4
957	T	31.6	Very low	30.7	Very low	126 Å²	126	158.4 Å²	158.4	77%	0.773	82%	0.819	S	S	*	*			trans	-114.2	-152.1	-157.9	50.7	0	0	0	0	113.9	P955	P955-T957 HydrophobicContact CB-CG2 4.4Å
958	P	45.2	Very low	31.1	Very low	109 Å²	109	153.4 Å²	153.4	71%	0.708	81%	0.813	S	S	*	*				-125.2	174.7	-105.4	40.3	-23.7	0	0	0	114.8
959	R	28.4	Very low	31.5	Very low	231 Å²	231	151.7 Å²	151.7	87%	0.872	81%	0.809	S	S	*	*			trans	178.6	152.6	132.9	-106.6	166.3	176.6	-163.1	-1.4	118.6
960	L	26.4	Very low	31.9	Very low	149 Å²	149	152.8 Å²	152.8	78%	0.78	81%	0.807	S	S	*	*			trans	87.4	162.2	146.2	-103.9	122.8	0	0	0	121.5
961	Y	29.8	Very low	32.4	Very low	213 Å²	213	155.8 Å²	155.8	84%	0.835	82%	0.815	S	S	*	*			trans	-126.2	-179.2	-156.3	-117.4	-98.7	0	0	0	109.2
962	I	36.3	Very low	33	Very low	148 Å²	148	151.4 Å²	151.4	76%	0.759	81%	0.807	S	S	*	*			trans	79.6	132.3	174.8	-48.8	170.7	0	0	0	111.1
963	Q	40.8	Very low	33.7	Very low	257 Å²	257	154.4 Å²	154.4	100%	1.201	81%	0.814	S	S	*	*			cis	-123.5	0	15.8	-157.4	162.8	5	0	0	113.6

Retrieved 963 of 963 residues in 218.4 ms (Link to these results)

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