A0A3Q0KVH0_SCHMA Loading...

Gynecophoral canal protein

AlphaFold DB (A0A5K4F062), UniProt , Accession A0A3Q0KVH0, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 760 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	31.6	Very low	40.6	Very low	237 Å²	237	142.3 Å²	142.3	100%	1.167	74%	0.735	S	S	*	*				0	111.9	0	-85.4	166.5	150.5	0	0	108.5
2	T	35.7	Very low	40.9	Very low	130 Å²	130	138.8 Å²	138.8	80%	0.798	72%	0.718	S	S	*	*			trans	39.3	96.4	154.2	54.3	0	0	0	0	119.4
3	L	35	Very low	40.8	Very low	171 Å²	171	139.3 Å²	139.3	90%	0.895	71%	0.711	S	S	*	*			trans	-148.7	21.3	152.7	-105.6	163.3	0	0	0	113.6
4	S	39.4	Very low	41.1	Very low	97 Å²	97	137.2 Å²	137.2	68%	0.678	70%	0.701	S	S	*	*	S	Bend	trans	-108.3	8.1	179.1	88	0	0	0	0	115.9
5	N	40.1	Very low	41	Very low	114 Å²	114	138.2 Å²	138.2	61%	0.61	69%	0.694	S	S	*	*	S	Bend	trans	-96.3	-2.8	-176	-83.7	-3.4	0	0	0	115.7
6	S	45.4	Very low	40.7	Very low	92 Å²	92	137.6 Å²	137.6	64%	0.643	69%	0.69	S	S	*	*	H	α-helix	trans	-78.8	-22.3	179.6	-56.1	0	0	0	0	113.8
7	F	43.8	Very low	40.7	Very low	171 Å²	171	135.9 Å²	135.9	75%	0.75	68%	0.683	S	S	*	*	H	α-helix	trans	-81.2	-27.8	178.9	-85.2	-80.5	0	0	0	113.7
8	L	45.3	Very low	40.7	Very low	115 Å²	115	132.9 Å²	132.9	60%	0.602	68%	0.676	S	S	*	*	H	α-helix	trans	-73.3	-33.6	176.3	-113.5	92.6	0	0	0	112.5	Y11 L12	L8-Y11 PolarHBondContact O-N 3.15Å; L8-L12 PolarHBondContact O-N 3.21Å; L8-L12 VanDerWaalsContact O-N 3.12Å
9	F	42.5	Very low	40.7	Very low	152 Å²	152	133.4 Å²	133.4	67%	0.667	68%	0.675	S	S	*	*	H	α-helix	trans	-70.1	-33.6	179.7	-97.7	-85.3	0	0	0	113	F13	F9-F13 PolarHBondContact O-N 3.25Å; F9-F13 VanDerWaalsContact O-N 3.12Å
10	L	44.9	Very low	40.5	Very low	116 Å²	116	131 Å²	131	61%	0.607	66%	0.664	S	S	*	*	H	α-helix	trans	-70.1	-36.6	176.5	-140.9	83.8	0	0	0	111.7	F13 I14	L10-F13 PolarHBondContact O-N 3.08Å; L10-I14 WeakPolarHBondContact O-CG1 3.47Å; L10-I14 PolarHBondContact O-N 2.66Å; L10-I14 VanDerWaalsContact O-N 3.15Å
11	Y	43.5	Very low	41	Very low	170 Å²	170	128.6 Å²	128.6	67%	0.667	66%	0.659	S	S	*	*	H	α-helix	trans	-68.2	-39.3	176.2	-106.7	-88.6	0	0	0	112.5	L8 I14 Y15	L8-Y11 PolarHBondContact O-N 3.15Å; Y11-I14 PolarHBondContact O-N 3.08Å; Y11-Y15 WeakPolarHBondContact O-CB 3.17Å; Y11-Y15 PolarHBondContact O-N 3.17Å
12	L	43.8	Very low	41.3	Very low	101 Å²	101	119.5 Å²	119.5	53%	0.529	62%	0.619	S	S	.	*	H	α-helix	trans	-67	-34.2	175.6	-92.5	151.4	0	0	0	112.7	L8 Y15 M16	L8-L12 PolarHBondContact O-N 3.21Å; L8-L12 VanDerWaalsContact O-N 3.12Å; L12-Y15 PolarHBondContact O-N 3.22Å; L12-M16 WeakPolarHBondContact O-CB 3.3Å; L12-M16 VanDerWaalsContact O-CG 3.27Å; L12-M16 WeakPolarHBondContact O-CG 3.3Å; L12-M16 PolarHBondContact O-N 2.78Å
13	F	39.8	Very low	41.5	Very low	145 Å²	145	116.9 Å²	116.9	64%	0.636	60%	0.599	S	S	*	*	H	α-helix	trans	-71.7	-38.5	176.8	-129.9	-94.5	0	0	0	112.3	F9 L10 Y15 M16 I17	F9-F13 PolarHBondContact O-N 3.25Å; F9-F13 VanDerWaalsContact O-N 3.12Å; L10-F13 PolarHBondContact O-N 3.08Å; F13-Y15 VanDerWaalsContact C-N 3.34Å; F13-M16 PolarHBondContact O-N 2.95Å; F13-I17 HydrophobicContact CD1-CD1 4.37Å; F13-I17 WeakPolarHBondContact O-CG1 3.4Å; F13-I17 PolarHBondContact O-N 3.16Å
14	I	45.3	Very low	41.8	Very low	110 Å²	110	116.8 Å²	116.8	56%	0.564	59%	0.588	S	S	*	*	H	α-helix	trans	-68.1	-35.4	175	-64.1	167.9	0	0	0	110.8	L10 Y11 S18	L10-I14 WeakPolarHBondContact O-CG1 3.47Å; L10-I14 PolarHBondContact O-N 2.66Å; L10-I14 VanDerWaalsContact O-N 3.15Å; Y11-I14 PolarHBondContact O-N 3.08Å; I14-S18 PolarHBondContact O-N 3.35Å
15	Y	39.1	Very low	41.9	Very low	152 Å²	152	116 Å²	116	60%	0.596	58%	0.579	S	S	*	*	H	α-helix	trans	-74.4	-26	174.9	-117.4	-89.4	0	0	0	114.2	Y11 L12 F13 S18	Y11-Y15 WeakPolarHBondContact O-CB 3.17Å; Y11-Y15 PolarHBondContact O-N 3.17Å; L12-Y15 PolarHBondContact O-N 3.22Å; F13-Y15 VanDerWaalsContact C-N 3.34Å; Y15-S18 PolarHBondContact O-OG 3.18Å
16	M	35.8	Very low	42.1	Very low	128 Å²	128	118.7 Å²	118.7	63%	0.631	59%	0.593	S	S	*	*	H	α-helix	trans	-74	-33.7	173.8	-80	-83.6	-84.5	0	0	111.6	L12 F13 S18 H19 L20	L12-M16 WeakPolarHBondContact O-CB 3.3Å; L12-M16 VanDerWaalsContact O-CG 3.27Å; L12-M16 WeakPolarHBondContact O-CG 3.3Å; L12-M16 PolarHBondContact O-N 2.78Å; F13-M16 PolarHBondContact O-N 2.95Å; M16-S18 VanDerWaalsContact C-N 3.31Å; M16-S18 PolarHBondContact O-N 3.36Å; M16-H19 PolarHBondContact O-N 3.13Å; M16-L20 PolarHBondContact O-N 3.25Å
17	I	41.9	Very low	42.1	Very low	110 Å²	110	117.6 Å²	117.6	56%	0.564	60%	0.597	S	S	*	*	H	α-helix	trans	-68.5	-30.9	176	-64.2	165.7	0	0	0	111.2	F13 H19	F13-I17 HydrophobicContact CD1-CD1 4.37Å; F13-I17 WeakPolarHBondContact O-CG1 3.4Å; F13-I17 PolarHBondContact O-N 3.16Å; I17-H19 VanDerWaalsContact C-N 3.27Å; I17-H19 PolarHBondContact O-N 3.35Å
18	S	40.3	Very low	41.5	Very low	81 Å²	81	116.8 Å²	116.8	57%	0.566	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-74.8	-12	176.7	61	0	0	0	0	114.6	I14 Y15 M16	I14-S18 PolarHBondContact O-N 3.35Å; Y15-S18 PolarHBondContact O-OG 3.18Å; M16-S18 VanDerWaalsContact C-N 3.31Å; M16-S18 PolarHBondContact O-N 3.36Å
19	H	39.5	Very low	41.3	Very low	142 Å²	142	114.3 Å²	114.3	66%	0.657	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.5	-2.3	178.4	-80.8	-60.9	0	0	0	115	M16 I17 S21	M16-H19 PolarHBondContact O-N 3.13Å; I17-H19 VanDerWaalsContact C-N 3.27Å; I17-H19 PolarHBondContact O-N 3.35Å; H19-S21 VanDerWaalsContact C-N 3.31Å; H19-S21 PolarHBondContact O-N 3.47Å
20	L	38.1	Very low	41.1	Very low	86 Å²	86	110.9 Å²	110.9	45%	0.45	58%	0.575	S	S	.	*			trans	-77.5	83.4	167.4	-84.8	146.1	0	0	0	109.3	M16 S22 I23	M16-L20 PolarHBondContact O-N 3.25Å; L20-S22 PolarHBondContact O-N 2.82Å; L20-S22 VanDerWaalsContact O-N 3.1Å; L20-I23 HydrophobicContact CB-CG1 4.41Å; L20-I23 HydrophobicContact CD2-CG1 4.35Å
21	S	50.2	Low	40.9	Very low	81 Å²	81	113.5 Å²	113.5	57%	0.566	58%	0.582	S	S	*	*	S	Bend	trans	-65.7	-5.3	172.8	54.2	0	0	0	0	113.4	H19 K31 F32	H19-S21 VanDerWaalsContact C-N 3.31Å; H19-S21 PolarHBondContact O-N 3.47Å; S21-K31 WeakPolarHBondContact O-CA 3.26Å; S21-F32 PolarHBondContact O-N 3.36Å
22	S	38.5	Very low	40.7	Very low	46 Å²	46	111.1 Å²	111.1	32%	0.322	58%	0.575	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-156.8	141.6	170.5	47	0	0	0	0	112.2	L20 I30	L20-S22 PolarHBondContact O-N 2.82Å; L20-S22 VanDerWaalsContact O-N 3.1Å; S22-I30 VanDerWaalsContact CA-O 3.25Å; S22-I30 WeakPolarHBondContact CA-O 3.25Å
23	I	39.1	Very low	40.5	Very low	75 Å²	75	109.2 Å²	109.2	39%	0.385	58%	0.581	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.2	136	164.4	-60.2	175.9	0	0	0	107.2	L20 V25 I30 F32	L20-I23 HydrophobicContact CB-CG1 4.41Å; L20-I23 HydrophobicContact CD2-CG1 4.35Å; I23-V25 HydrophobicContact CG2-CG2 4.14Å; I23-I30 PolarHBondContact N-O 2.92Å; I23-I30 PolarHBondContact O-N 3.14Å; I23-F32 HydrophobicContact CB-CE2 4.48Å; I23-F32 HydrophobicContact CD1-CE2 4.09Å; I23-F32 HydrophobicContact CG1-CE2 4.21Å
24	Y	41.1	Very low	40.5	Very low	169 Å²	169	111.6 Å²	111.6	66%	0.663	59%	0.59	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85	117	171.9	-81.9	-90.8	0	0	0	109.2
25	V	41.8	Very low	40.5	Very low	81 Å²	81	114.6 Å²	114.6	49%	0.491	61%	0.606	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-122.4	121.5	167.6	-176.2	0	0	0	0	107.1	I23 G27 E28 I30	I23-V25 HydrophobicContact CG2-CG2 4.14Å; V25-G27 VanDerWaalsContact C-N 3.28Å; V25-G27 PolarHBondContact O-N 3.15Å; V25-G27 VanDerWaalsContact O-N 3.15Å; V25-E28 PolarHBondContact N-O 3.15Å; V25-E28 PolarHBondContact O-N 3.07Å; V25-I30 HydrophobicContact CB-CD1 4.38Å; V25-I30 HydrophobicContact CG2-CD1 4.24Å
26	N	44.5	Very low	41	Very low	169 Å²	169	111.5 Å²	111.5	90%	0.904	61%	0.607	S	S	*	*	T	Hydrogen-bonded Turn	trans	46.7	42.7	179.3	-71.3	-10.7	0	0	0	115.5	E28	N26-E28 VanDerWaalsContact C-N 3.34Å; N26-E28 PolarHBondContact O-N 3.05Å
27	G	45.6	Very low	41.8	Very low	70 Å²	70	111.8 Å²	111.8	72%	0.722	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	85.8	-6.1	172.1	0	0	0	0	0	115.8	V25	V25-G27 VanDerWaalsContact C-N 3.28Å; V25-G27 PolarHBondContact O-N 3.15Å; V25-G27 VanDerWaalsContact O-N 3.15Å
28	E	32.1	Very low	42.9	Very low	153 Å²	153	115.6 Å²	115.6	72%	0.715	62%	0.623	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-102.8	134	172.2	-71.8	-174.1	166.5	0	0	111.3	V25 N26 I30	V25-E28 PolarHBondContact N-O 3.15Å; V25-E28 PolarHBondContact O-N 3.07Å; N26-E28 VanDerWaalsContact C-N 3.34Å; N26-E28 PolarHBondContact O-N 3.05Å; E28-I30 PolarHBondContact O-N 3.07Å
29	S	39.9	Very low	44.9	Very low	63 Å²	63	115.3 Å²	115.3	44%	0.441	62%	0.618	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.9	107.3	174.7	65.6	0	0	0	0	109.8	K31	S29-K31 PolarHBondContact O-N 3.3Å
30	I	38.9	Very low	47.3	Very low	80 Å²	80	113 Å²	113	41%	0.41	61%	0.61	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-81.5	99.8	171	-57.9	174.8	0	0	0	107	S22 I23 V25 E28 F32	S22-I30 VanDerWaalsContact CA-O 3.25Å; S22-I30 WeakPolarHBondContact CA-O 3.25Å; I23-I30 PolarHBondContact N-O 2.92Å; I23-I30 PolarHBondContact O-N 3.14Å; V25-I30 HydrophobicContact CB-CD1 4.38Å; V25-I30 HydrophobicContact CG2-CD1 4.24Å; E28-I30 PolarHBondContact O-N 3.07Å; I30-F32 HydrophobicContact CG2-CE1 4.35Å; I30-F32 HydrophobicContact CG2-CE2 4.16Å; I30-F32 HydrophobicContact CG2-CZ 4.04Å; I30-F32 PolarHBondContact O-N 3.22Å
31	K	39.4	Very low	49.9	Very low	172 Å²	172	116 Å²	116	75%	0.748	62%	0.617	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-75.7	108.8	171.8	-77.2	-176.7	179.7	174.4	0	109.3	S21 S29 G33	S21-K31 WeakPolarHBondContact O-CA 3.26Å; S29-K31 PolarHBondContact O-N 3.3Å; K31-G33 PolarHBondContact O-N 3.2Å; K31-G33 VanDerWaalsContact O-N 3.09Å
32	F	41	Very low	51.9	Low	119 Å²	119	112.4 Å²	112.4	52%	0.522	59%	0.592	S	S	.	*			trans	-73	102.5	164.3	-65.8	-78.4	0	0	0	107.1	S21 I23 I30	S21-F32 PolarHBondContact O-N 3.36Å; I23-F32 HydrophobicContact CB-CE2 4.48Å; I23-F32 HydrophobicContact CD1-CE2 4.09Å; I23-F32 HydrophobicContact CG1-CE2 4.21Å; I30-F32 HydrophobicContact CG2-CE1 4.35Å; I30-F32 HydrophobicContact CG2-CE2 4.16Å; I30-F32 HydrophobicContact CG2-CZ 4.04Å; I30-F32 PolarHBondContact O-N 3.22Å
33	G	38.2	Very low	54.5	Low	62 Å²	62	112.9 Å²	112.9	64%	0.639	59%	0.591	S	S	*	*			trans	-51.7	142.6	169.4	0	0	0	0	0	109.3	K31 I35	K31-G33 PolarHBondContact O-N 3.2Å; K31-G33 VanDerWaalsContact O-N 3.09Å; G33-I35 PolarHBondContact O-N 2.91Å; G33-I35 VanDerWaalsContact O-N 3.1Å
34	K	40.1	Very low	56.9	Low	194 Å²	194	110.7 Å²	110.7	84%	0.843	58%	0.582	S	S	*	*			trans	-46.1	125.4	175.2	-73.2	-179.6	173	178.7	0	108.5	S36	K34-S36 PolarHBondContact O-N 3.24Å
35	I	44.6	Very low	59.1	Low	173 Å²	173	109.4 Å²	109.4	89%	0.887	59%	0.586	S	S	*	*			trans	-69.5	64.1	165.7	-51.4	169.5	0	0	0	106.7	G33	G33-I35 PolarHBondContact O-N 2.91Å; G33-I35 VanDerWaalsContact O-N 3.1Å
36	S	50	Low	61.3	Low	88 Å²	88	113.1 Å²	113.1	62%	0.615	60%	0.598	S	S	*	*			trans	-99.6	-18.2	-170.8	-177.9	0	0	0	0	112.4	K34	K34-S36 PolarHBondContact O-N 3.24Å
37	D	53.6	Low	63.3	Low	134 Å²	134	107 Å²	107	72%	0.717	57%	0.571	S	S	*	*	S	Bend	trans	-122.2	122.1	171.1	-68.3	-36.8	0	0	0	107.8	V39	D37-V39 PolarHBondContact O-N 2.89Å
38	K	64.4	Low	65.3	Low	189 Å²	189	105 Å²	105	82%	0.822	55%	0.55	S	S	*	*			trans	-56.7	112.2	168.2	-75.6	-178.4	177.7	179.7	0	107.2	N40	K38-N40 PolarHBondContact O-N 3.37Å; K38-N40 VanDerWaalsContact O-N 3.14Å
39	V	82.5	Confident	67.9	Low	75 Å²	75	104.8 Å²	104.8	46%	0.455	54%	0.544	S	S	.	.			trans	-62.7	114.6	171.3	178	0	0	0	0	107.1	D37 Y41 F70	D37-V39 PolarHBondContact O-N 2.89Å; V39-Y41 HydrophobicContact CG1-CE2 4.07Å; V39-F70 HydrophobicContact CG1-CB 3.63Å; V39-F70 HydrophobicContact CG1-CD2 3.74Å; V39-F70 HydrophobicContact CG1-CG 3.93Å
40	N	89.8	Confident	70.3	Confident	94 Å²	94	104 Å²	104	50%	0.503	53%	0.534	S	S	.	.	P	Polyproline II helix	trans	-96.5	126.4	174.7	-64.8	-36.3	0	0	0	108.4	K38 F70 T71 F81	K38-N40 PolarHBondContact O-N 3.37Å; K38-N40 VanDerWaalsContact O-N 3.14Å; N40-F70 CarbonylContact O-C 3.55Å; N40-F70 VanDerWaalsContact O-CA 3.28Å; N40-F70 WeakPolarHBondContact O-CA 3.34Å; N40-T71 HydrophobicContact CB-CG2 3.79Å; N40-T71 PolarHBondContact N-OG1 3.31Å; N40-T71 VanDerWaalsContact N-OG1 3.08Å; N40-T71 PolarHBondContact O-N 3.36Å; N40-F81 WeakPolarHBondContact O-CZ 3.39Å
41	Y	92.7	Very high	72.8	Confident	149 Å²	149	101.7 Å²	101.7	58%	0.584	52%	0.521	S	S	*	.	B	Isolated β-bridge	trans	-85	147.2	172.9	-67.4	-91.2	0	0	0	109.9	V39 T68 P69 F70	V39-Y41 HydrophobicContact CG1-CE2 4.07Å; Y41-T68 HydrophobicContact CD1-CG2 4.22Å; Y41-P69 WeakPolarHBondContact CA-O 3.37Å; Y41-F70 HydrophobicContact CD1-CB 3.74Å; Y41-F70 HydrophobicContact CE1-CB 3.87Å; Y41-F70 HydrophobicContact CE1-CD1 4.3Å; Y41-F70 HydrophobicContact CE1-CG 4.38Å; Y41-F70 HydrophobicContact CG-CB 4.27Å
42	A	92.8	Very high	75.4	Confident	6 Å²	6	95.5 Å²	95.5	5%	0.05	50%	0.498	C	S	.	.	P	Polyproline II helix	trans	-61.6	145.7	169.7	0	0	0	0	0	110	P44 A53 T68 P69 F81 Y83	A42-P44 WeakPolarHBondContact O-CD 3.46Å; A42-A53 HydrophobicContact CB-CB 3.5Å; A42-T68 WeakPolarHBondContact O-CG2 3.42Å; A42-P69 HydrophobicContact CB-CB 4.15Å; A42-P69 WeakPolarHBondContact CB-O 3.03Å; A42-P69 PolarHBondContact N-O 3.25Å; A42-F81 HydrophobicContact CB-CB 4.32Å; A42-F81 HydrophobicContact CB-CD1 3.83Å; A42-F81 HydrophobicContact CB-CD2 3.88Å; A42-F81 HydrophobicContact CB-CE1 4.04Å; A42-F81 HydrophobicContact CB-CE2 4.08Å; A42-F81 HydrophobicContact CB-CG 3.75Å; A42-F81 HydrophobicContact CB-CZ 4.15Å; A42-Y83 HydrophobicContact CB-CE1 4.27Å
43	N	92.3	Very high	77.9	Confident	55 Å²	55	90.4 Å²	90.4	29%	0.294	48%	0.479	S	S	.	.			trans	-121.2	84.4	-179.9	-170	-14.8	0	0	0	110	D45 Q46 Y83	N43-D45 VanDerWaalsContact C-N 3.26Å; N43-D45 PolarHBondContact O-N 3.09Å; N43-D45 PolarHBondContact OD1-N 3.25Å; N43-Q46 HydrophobicContact CB-CB 4.38Å; N43-Q46 HydrophobicContact CB-CG 4.28Å; N43-Q46 VanDerWaalsContact ND2-CG 3.33Å; N43-Q46 WeakPolarHBondContact ND2-CG 3.46Å; N43-Q46 PolarHBondContact ND2-NE2 2.79Å; N43-Q46 PolarHBondContact O-N 2.85Å; N43-Q46 PolarHBondContact OD1-N 2.91Å; N43-Y83 PolarHBondContact N-OH 3.04Å; N43-Y83 WeakPolarHBondContact O-CE1 3.5Å
44	P	90.3	Very high	80.6	Confident	30 Å²	30	87.7 Å²	87.7	20%	0.195	45%	0.449	C	S	.	.	H	α-helix	trans	-63.6	-31.4	-178.9	23.3	-31.4	0	0	0	113.1	A42 Q46 A47 G48 H51 A53 Y83	A42-P44 WeakPolarHBondContact O-CD 3.46Å; P44-Q46 PolarHBondContact O-N 2.03Å; P44-A47 WeakPolarHBondContact O-CB 3.4Å; P44-A47 PolarHBondContact O-N 3.28Å; P44-G48 PolarHBondContact O-N 2.81Å; P44-H51 VanDerWaalsContact CB-O 3.3Å; P44-H51 WeakPolarHBondContact CB-O 3.33Å; P44-A53 HydrophobicContact CB-CB 4.33Å; P44-A53 HydrophobicContact CG-CB 4.46Å; P44-Y83 HydrophobicContact CB-CD1 4.28Å; P44-Y83 HydrophobicContact CB-CE1 4.36Å
45	D	87	Confident	83.1	Confident	141 Å²	141	78.5 Å²	78.5	75%	0.754	41%	0.409	S	S	*	.	H	α-helix	trans	-63.1	-27.5	179.7	-61.6	-26.7	0	0	0	112.2	N43	N43-D45 VanDerWaalsContact C-N 3.26Å; N43-D45 PolarHBondContact O-N 3.09Å; N43-D45 PolarHBondContact OD1-N 3.25Å
46	Q	87.7	Confident	85.5	Confident	160 Å²	160	75.8 Å²	75.8	75%	0.748	39%	0.388	S	S	*	.	H	α-helix	trans	-73.3	-26.7	172.6	-78.3	178.5	-8.9	0	0	113.4	N43 P44	N43-Q46 HydrophobicContact CB-CB 4.38Å; N43-Q46 HydrophobicContact CB-CG 4.28Å; N43-Q46 VanDerWaalsContact ND2-CG 3.33Å; N43-Q46 WeakPolarHBondContact ND2-CG 3.46Å; N43-Q46 PolarHBondContact ND2-NE2 2.79Å; N43-Q46 PolarHBondContact O-N 2.85Å; N43-Q46 PolarHBondContact OD1-N 2.91Å; P44-Q46 PolarHBondContact O-N 2.03Å
47	A	87.1	Confident	87.4	Confident	41 Å²	41	71.7 Å²	71.7	34%	0.339	36%	0.359	S	S	.	.	H	α-helix	trans	-76.6	-31.1	-180	0	0	0	0	0	111.8	P44 H51 Y83	P44-A47 WeakPolarHBondContact O-CB 3.4Å; P44-A47 PolarHBondContact O-N 3.28Å; A47-H51 HydrophobicContact CB-CB 3.98Å; A47-Y83 VanDerWaalsContact CB-CB 3.47Å; A47-Y83 HydrophobicContact CB-CD1 3.75Å; A47-Y83 HydrophobicContact CB-CD2 4.03Å; A47-Y83 HydrophobicContact CB-CE1 4.47Å; A47-Y83 HydrophobicContact CB-CG 3.48Å; A47-Y83 VanDerWaalsContact CB-CG 3.48Å
48	G	86.9	Confident	89.1	Confident	27 Å²	27	67.5 Å²	67.5	28%	0.278	34%	0.339	S	S	.	.			trans	146	-179.7	171	0	0	0	0	0	113.3	P44 H50 H51	P44-G48 PolarHBondContact O-N 2.81Å; G48-H50 PolarHBondContact O-N 3.42Å; G48-H51 VanDerWaalsContact C-ND1 3.31Å; G48-H51 PolarHBondContact O-N 3.33Å; G48-H51 PolarHBondContact O-ND1 2.83Å
49	Y	86.2	Confident	90.1	Very high	149 Å²	149	60.8 Å²	60.8	58%	0.584	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	134.8	178.1	-169.8	-119	0	0	0	111.4	H51 F102	Y49-H51 PolarHBondContact O-N 3.43Å; Y49-H51 VanDerWaalsContact O-N 3.14Å; Y49-H51 PolarHBondContact O-ND1 2.99Å; Y49-F102 HydrophobicContact CD1-CE1 4.46Å
50	H	90.8	Very high	90.2	Very high	47 Å²	47	58.5 Å²	58.5	22%	0.218	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.4	29.7	-177.3	-55	158.6	0	0	0	115.8	G48 C86 Y89 C107	G48-H50 PolarHBondContact O-N 3.42Å; H50-C86 PolarHBondContact O-N 3.09Å; H50-C86 PolarHBondContact O-SG 3.2Å; H50-C86 VanDerWaalsContact O-SG 3.38Å; H50-Y89 HydrophobicContact CB-CD1 4.47Å; H50-Y89 HydrophobicContact CB-CD2 4.18Å; H50-Y89 HydrophobicContact CB-CG 4.11Å; H50-Y89 AromaticContact CE1-CD1 3.78Å; H50-Y89 AromaticContact CE1-CE1 3.16Å; H50-Y89 WeakPolarHBondContact CE1-CE1 3.08Å; H50-Y89 AromaticContact CE1-CZ 3.37Å; H50-Y89 AromaticContact ND1-CD1 3.27Å; H50-Y89 VanDerWaalsContact ND1-CD1 3.27Å; H50-Y89 WeakPolarHBondContact ND1-CD1 3.27Å; H50-Y89 AromaticContact ND1-CE1 3.18Å; H50-Y89 WeakPolarHBondContact ND1-CE1 3.29Å; H50-Y89 AromaticContact ND1-CG 3.76Å; H50-Y89 AromaticContact ND1-CZ 3.58Å; H50-Y89 AromaticContact NE2-CZ 3.85Å; H50-C107 HydrophobicContact CB-CB 4.25Å; H50-C107 WeakPolarHBondContact CB-O 3.4Å; H50-C107 PolarHBondContact ND1-O 2.67Å
51	H	91.8	Very high	90	Very high	31 Å²	31	55 Å²	55	14%	0.144	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	144.5	169	-73.6	63.7	0	0	0	110.4	P44 A47 G48 Y49 K84 C86 C107	P44-H51 VanDerWaalsContact CB-O 3.3Å; P44-H51 WeakPolarHBondContact CB-O 3.33Å; A47-H51 HydrophobicContact CB-CB 3.98Å; G48-H51 VanDerWaalsContact C-ND1 3.31Å; G48-H51 PolarHBondContact O-N 3.33Å; G48-H51 PolarHBondContact O-ND1 2.83Å; Y49-H51 PolarHBondContact O-N 3.43Å; Y49-H51 VanDerWaalsContact O-N 3.14Å; Y49-H51 PolarHBondContact O-ND1 2.99Å; H51-K84 CarbonylContact C-O 3.47Å; H51-K84 VanDerWaalsContact CA-O 3.31Å; H51-K84 WeakPolarHBondContact CA-O 3.22Å; H51-C86 PolarHBondContact O-SG 3.3Å; H51-C86 VanDerWaalsContact O-SG 3.36Å; H51-C107 PolarHBondContact CE1-SG 3.01Å
52	C	92.9	Very high	90	Very high	41 Å²	41	48 Å²	48	28%	0.277	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	149.4	172.1	-85.2	0	0	0	0	108.8	F54 Y83 K84 C86	C52-F54 HydrophobicContact CB-CE2 3.69Å; C52-F54 HydrophobicContact CB-CZ 4.04Å; C52-F54 WeakPolarHBondContact O-CD2 3.27Å; C52-F54 WeakPolarHBondContact O-CE2 3.11Å; C52-Y83 WeakPolarHBondContact O-CA 3.26Å; C52-K84 PolarHBondContact N-O 3.2Å; C52-K84 PolarHBondContact O-N 2.58Å; C52-K84 VanDerWaalsContact O-N 3.09Å; C52-C86 VanDerWaalsContact CA-SG 3.57Å; C52-C86 HydrophobicContact CB-CB 4.02Å; C52-C86 WeakPolarHBondContact CB-SG 3.3Å; C52-C86 PolarHBondContact N-SG 2.73Å; C52-C86 WeakPolarHBondContact SG-CA 3.17Å; C52-C86 WeakPolarHBondContact SG-CB 3.48Å; C52-C86 CovalentContact SG-SG 2.04Å; C52-C86 PolarHBondContact SG-SG 2.86Å
53	A	93.7	Very high	90	Very high	13 Å²	13	47.8 Å²	47.8	11%	0.107	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	137.7	179	0	0	0	0	0	110.6	A42 P44 P69 Y83	A42-A53 HydrophobicContact CB-CB 3.5Å; P44-A53 HydrophobicContact CB-CB 4.33Å; P44-A53 HydrophobicContact CG-CB 4.46Å; A53-P69 HydrophobicContact CB-CG 3.99Å; A53-P69 WeakPolarHBondContact O-CG 3.26Å; A53-Y83 HydrophobicContact CB-CD1 4.04Å; A53-Y83 HydrophobicContact CB-CE1 3.84Å
54	F	94.6	Very high	90	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.018	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	156.9	178.6	-58.3	-99.7	0	0	0	108.6	C52 I63 I64 F81 D82 K84 V215	C52-F54 HydrophobicContact CB-CE2 3.69Å; C52-F54 HydrophobicContact CB-CZ 4.04Å; C52-F54 WeakPolarHBondContact O-CD2 3.27Å; C52-F54 WeakPolarHBondContact O-CE2 3.11Å; F54-I63 WeakPolarHBondContact CA-O 3.17Å; F54-I63 WeakPolarHBondContact CB-O 3.17Å; F54-I64 HydrophobicContact CD1-CB 3.98Å; F54-I64 HydrophobicContact CD1-CG1 4.31Å; F54-I64 HydrophobicContact CE1-CB 3.95Å; F54-I64 HydrophobicContact CE1-CD1 4.08Å; F54-I64 HydrophobicContact CE1-CG1 4.04Å; F54-F81 WeakPolarHBondContact O-CA 3.41Å; F54-D82 HydrophobicContact CB-CB 4.33Å; F54-D82 PolarHBondContact N-O 2.82Å; F54-D82 PolarHBondContact O-N 2.77Å; F54-K84 HydrophobicContact CD2-CB 4.17Å; F54-K84 HydrophobicContact CD2-CD 4.45Å; F54-K84 HydrophobicContact CD2-CG 4.22Å; F54-K84 HydrophobicContact CE2-CB 3.73Å; F54-K84 HydrophobicContact CE2-CD 4.46Å; F54-K84 HydrophobicContact CE2-CG 4.25Å; F54-V215 WeakPolarHBondContact CE1-O 3.29Å
55	W	94.5	Very high	89.8	Confident	1 Å²	1	45.2 Å²	45.2	0%	0.004	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	130	162.8	-75.9	-59.7	0	0	0	109.5	S62 I63 A65 P69 F70 M72 L79 F81 H204 T206	W55-S62 CarbonylContact O-C 2.97Å; W55-S62 WeakPolarHBondContact O-CA 3.08Å; W55-I63 HydrophobicContact CB-CD1 4.25Å; W55-I63 HydrophobicContact CB-CG1 3.76Å; W55-I63 HydrophobicContact CE3-CD1 4.15Å; W55-I63 HydrophobicContact CE3-CG1 4.28Å; W55-I63 PolarHBondContact N-O 2.78Å; W55-I63 VanDerWaalsContact N-O 3.09Å; W55-I63 PolarHBondContact O-N 2.85Å; W55-A65 HydrophobicContact CE3-CB 4.06Å; W55-A65 HydrophobicContact CH2-CB 4.05Å; W55-A65 HydrophobicContact CZ3-CB 3.51Å; W55-P69 HydrophobicContact CD2-CB 4.08Å; W55-P69 HydrophobicContact CG-CB 4.36Å; W55-P69 HydrophobicContact CZ2-CB 4.06Å; W55-F70 HydrophobicContact CH2-CE1 4.4Å; W55-F70 HydrophobicContact CZ2-CD1 4.18Å; W55-F70 HydrophobicContact CZ2-CE1 4.24Å; W55-F70 PolarHBondContact NE1-O 3.47Å; W55-M72 HydrophobicContact CD2-SD 4.16Å; W55-M72 VanDerWaalsContact CE2-SD 3.55Å; W55-M72 HydrophobicContact CE3-SD 4.46Å; W55-M72 HydrophobicContact CH2-SD 3.68Å; W55-M72 HydrophobicContact CZ2-CG 4.08Å; W55-M72 HydrophobicContact CZ2-SD 3.29Å; W55-M72 WeakPolarHBondContact CZ2-SD 3.41Å; W55-M72 HydrophobicContact CZ3-SD 4.24Å; W55-L79 HydrophobicContact CB-CB 4.46Å; W55-L79 HydrophobicContact CB-CD1 3.95Å; W55-L79 HydrophobicContact CD2-CD1 4.4Å; W55-L79 HydrophobicContact CG-CB 4.35Å; W55-L79 HydrophobicContact CG-CD1 3.86Å; W55-F81 AromaticContact NE1-CE1 3.93Å; W55-H204 HydrophobicContact CH2-CB 4.13Å; W55-H204 AromaticContact CH2-CD2 4Å; W55-H204 VanDerWaalsContact CH2-O 3.3Å; W55-H204 WeakPolarHBondContact CH2-O 3.44Å; W55-H204 AromaticContact CZ3-CD2 3.84Å; W55-T206 HydrophobicContact CE3-CG2 4.12Å; W55-T206 HydrophobicContact CZ3-CG2 3.81Å
56	R	93.6	Very high	89.8	Confident	116 Å²	116	40.1 Å²	40.1	44%	0.438	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	115.4	169	-163.1	176.1	-179.4	170.3	0.5	109.2	E80 D82	R56-E80 HydrophobicContact CB-CB 4.17Å; R56-E80 PolarHBondContact N-O 3.27Å; R56-D82 HydrophobicContact CB-CB 4.12Å
57	L	91.1	Very high	89.6	Confident	2 Å²	2	35.9 Å²	35.9	1%	0.01	20%	0.204	C	C	.	.			trans	-73.5	155.9	172.7	-63.5	-174.9	0	0	0	110.8	D59 G60 H61 I63 L79	L57-D59 VanDerWaalsContact CB-OD1 3.26Å; L57-D59 WeakPolarHBondContact CB-OD1 3.23Å; L57-D59 PolarHBondContact O-N 3.4Å; L57-G60 PolarHBondContact O-N 3.24Å; L57-H61 WeakPolarHBondContact CB-O 3.35Å; L57-H61 PolarHBondContact N-O 3.39Å; L57-I63 HydrophobicContact CD1-CG2 3.74Å; L57-I63 HydrophobicContact CD2-CD1 3.91Å; L57-I63 HydrophobicContact CD2-CG1 4.31Å; L57-I63 HydrophobicContact CG-CD1 4.47Å; L57-I63 HydrophobicContact CG-CG1 4.43Å; L57-I63 HydrophobicContact CG-CG2 4.16Å; L57-L79 HydrophobicContact CD2-CD1 4.43Å; L57-L79 HydrophobicContact CD2-CD2 4Å
58	P	87.9	Confident	89.7	Confident	47 Å²	47	37.6 Å²	37.6	31%	0.305	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-25.7	-179.8	-24.6	35.1	0	0	0	114.6	G60 K77 T339	P58-G60 PolarHBondContact O-N 2.79Å; P58-K77 HydrophobicContact CG-CB 3.84Å; P58-K77 HydrophobicContact CG-CG 4.04Å; P58-T339 HydrophobicContact CB-CG2 3.83Å; P58-T339 HydrophobicContact CG-CG2 4.13Å
59	D	85.9	Confident	90	Very high	48 Å²	48	36.6 Å²	36.6	26%	0.257	20%	0.199	S	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	0.3	175	73.3	-13.2	0	0	0	113.4	L57 H61 R230 G343	L57-D59 VanDerWaalsContact CB-OD1 3.26Å; L57-D59 WeakPolarHBondContact CB-OD1 3.23Å; L57-D59 PolarHBondContact O-N 3.4Å; D59-H61 VanDerWaalsContact C-N 3.33Å; D59-H61 VanDerWaalsContact CG-CD2 3.44Å; D59-H61 WeakPolarHBondContact OD1-CB 3.08Å; D59-H61 IonicContact OD1-CD2 3.96Å; D59-H61 IonicContact OD1-CG 3.13Å; D59-H61 PolarHBondContact OD1-N 2.89Å; D59-H61 IonicContact OD2-CD2 3.79Å; D59-H61 PolarHBondContact OD2-CD2 2.77Å; D59-H61 IonicContact OD2-CG 3.22Å; D59-H61 IonicContact OD2-NE2 3Å; D59-R230 IonicContact OD1-NH2 2.71Å; D59-R230 IonicContact OD2-CZ 3.78Å; D59-R230 IonicContact OD2-NE 3.79Å; D59-R230 IonicContact OD2-NH2 3.97Å; D59-R230 PolarHBondContact OD2-NH2 3.43Å; D59-G343 PolarHBondContact N-O 2.94Å
60	G	85.1	Confident	90.3	Very high	27 Å²	27	32.2 Å²	32.2	28%	0.278	18%	0.183	S	C	.	.	S	Bend	trans	85.3	-2.6	179.2	0	0	0	0	0	114.9	L57 P58	L57-G60 PolarHBondContact O-N 3.24Å; P58-G60 PolarHBondContact O-N 2.79Å
61	H	85.6	Confident	90.3	Very high	20 Å²	20	31.5 Å²	31.5	9%	0.093	18%	0.182	C	C	.	.			trans	-74.2	158.8	168.4	-71.5	-106.6	0	0	0	110.6	L57 D59 R157	L57-H61 WeakPolarHBondContact CB-O 3.35Å; L57-H61 PolarHBondContact N-O 3.39Å; D59-H61 VanDerWaalsContact C-N 3.33Å; D59-H61 VanDerWaalsContact CG-CD2 3.44Å; D59-H61 WeakPolarHBondContact OD1-CB 3.08Å; D59-H61 IonicContact OD1-CD2 3.96Å; D59-H61 IonicContact OD1-CG 3.13Å; D59-H61 PolarHBondContact OD1-N 2.89Å; D59-H61 IonicContact OD2-CD2 3.79Å; D59-H61 PolarHBondContact OD2-CD2 2.77Å; D59-H61 IonicContact OD2-CG 3.22Å; D59-H61 IonicContact OD2-NE2 3Å; H61-R157 WeakPolarHBondContact CE1-CB 3.22Å
62	S	91.4	Very high	90.3	Very high	1 Å²	1	31.1 Å²	31.1	1%	0.007	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	146.7	173.8	-28.7	0	0	0	0	109.2	W55 D82 K84 V215	W55-S62 CarbonylContact O-C 2.97Å; W55-S62 WeakPolarHBondContact O-CA 3.08Å; S62-D82 PolarHBondContact OG-OD2 2.82Å; S62-K84 VanDerWaalsContact OG-CE 3.23Å; S62-K84 WeakPolarHBondContact OG-CE 3.42Å; S62-K84 PolarHBondContact OG-NZ 3.35Å; S62-V215 WeakPolarHBondContact O-CG1 3.26Å
63	I	92.8	Very high	90.3	Very high	2 Å²	2	34.8 Å²	34.8	1%	0.01	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	141.8	177.1	57.7	173.8	0	0	0	109.6	F54 W55 L57 T206 E213	F54-I63 WeakPolarHBondContact CA-O 3.17Å; F54-I63 WeakPolarHBondContact CB-O 3.17Å; W55-I63 HydrophobicContact CB-CD1 4.25Å; W55-I63 HydrophobicContact CB-CG1 3.76Å; W55-I63 HydrophobicContact CE3-CD1 4.15Å; W55-I63 HydrophobicContact CE3-CG1 4.28Å; W55-I63 PolarHBondContact N-O 2.78Å; W55-I63 VanDerWaalsContact N-O 3.09Å; W55-I63 PolarHBondContact O-N 2.85Å; L57-I63 HydrophobicContact CD1-CG2 3.74Å; L57-I63 HydrophobicContact CD2-CD1 3.91Å; L57-I63 HydrophobicContact CD2-CG1 4.31Å; L57-I63 HydrophobicContact CG-CD1 4.47Å; L57-I63 HydrophobicContact CG-CG1 4.43Å; L57-I63 HydrophobicContact CG-CG2 4.16Å; I63-T206 HydrophobicContact CD1-CG2 3.81Å; I63-E213 HydrophobicContact CG2-CB 4.49Å
64	I	93.2	Very high	90.4	Very high	20 Å²	20	34.3 Å²	34.3	10%	0.103	19%	0.189	C	C	.	.			trans	-85.4	146.2	177	-166.6	165.1	0	0	0	110.1	F54 L179 L214 A217	F54-I64 HydrophobicContact CD1-CB 3.98Å; F54-I64 HydrophobicContact CD1-CG1 4.31Å; F54-I64 HydrophobicContact CE1-CB 3.95Å; F54-I64 HydrophobicContact CE1-CD1 4.08Å; F54-I64 HydrophobicContact CE1-CG1 4.04Å; I64-L179 HydrophobicContact CD1-CD2 4.27Å; I64-L179 HydrophobicContact CG1-CD2 4.47Å; I64-L214 HydrophobicContact CG2-CB 3.72Å; I64-L214 PolarHBondContact N-O 2.89Å; I64-A217 HydrophobicContact CD1-CB 3.94Å; I64-A217 HydrophobicContact CG2-CB 4.41Å
65	A	87.1	Confident	90.4	Very high	12 Å²	12	34.2 Å²	34.2	10%	0.099	19%	0.189	C	C	.	.	B	Isolated β-bridge	trans	-117	142.1	168.5	0	0	0	0	0	109.2	W55 C67 P69	W55-A65 HydrophobicContact CE3-CB 4.06Å; W55-A65 HydrophobicContact CH2-CB 4.05Å; W55-A65 HydrophobicContact CZ3-CB 3.51Å; A65-C67 VanDerWaalsContact CB-O 3.25Å; A65-C67 WeakPolarHBondContact CB-O 3.23Å; A65-C67 PolarHBondContact O-N 2.82Å; A65-P69 HydrophobicContact CB-CG 4.26Å
66	S	85.5	Confident	90.4	Very high	34 Å²	34	36.1 Å²	36.1	24%	0.238	21%	0.209	C	C	.	.	S	Bend	trans	-73.4	-5.5	172.3	58	0	0	0	0	113.9	R201 G205	S66-R201 VanDerWaalsContact CB-CZ 3.48Å; S66-R201 PolarHBondContact OG-NE 2.91Å; S66-R201 VanDerWaalsContact OG-NE 3.08Å; S66-R201 PolarHBondContact OG-NH2 2.81Å; S66-G205 WeakPolarHBondContact CB-O 3.18Å; S66-G205 PolarHBondContact N-O 3.09Å; S66-G205 WeakPolarHBondContact OG-CA 3.41Å; S66-G205 PolarHBondContact OG-O 3.01Å
67	C	85.1	Confident	90.5	Very high	71 Å²	71	35.6 Å²	35.6	48%	0.48	21%	0.21	S	C	.	.	S	Bend	trans	-125.9	163.3	175.8	-60.2	0	0	0	0	108.2	A65 P69	A65-C67 VanDerWaalsContact CB-O 3.25Å; A65-C67 WeakPolarHBondContact CB-O 3.23Å; A65-C67 PolarHBondContact O-N 2.82Å; C67-P69 VanDerWaalsContact O-CD 3.27Å; C67-P69 WeakPolarHBondContact O-CD 3.2Å; C67-P69 VanDerWaalsContact O-N 3.15Å
68	T	88.6	Confident	90.5	Very high	77 Å²	77	42.4 Å²	42.4	47%	0.472	24%	0.24	S	C	.	.			trans	-57.9	119.9	174.5	-51.8	0	0	0	0	110.2	Y41 A42	Y41-T68 HydrophobicContact CD1-CG2 4.22Å; A42-T68 WeakPolarHBondContact O-CG2 3.42Å
69	P	92.5	Very high	90.8	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.032	23%	0.227	C	C	.	.			trans	-55.5	144.2	176.8	-26	34.6	0	0	0	111.1	Y41 A42 A53 W55 A65 C67 F81	Y41-P69 WeakPolarHBondContact CA-O 3.37Å; A42-P69 HydrophobicContact CB-CB 4.15Å; A42-P69 WeakPolarHBondContact CB-O 3.03Å; A42-P69 PolarHBondContact N-O 3.25Å; A53-P69 HydrophobicContact CB-CG 3.99Å; A53-P69 WeakPolarHBondContact O-CG 3.26Å; W55-P69 HydrophobicContact CD2-CB 4.08Å; W55-P69 HydrophobicContact CG-CB 4.36Å; W55-P69 HydrophobicContact CZ2-CB 4.06Å; A65-P69 HydrophobicContact CB-CG 4.26Å; C67-P69 VanDerWaalsContact O-CD 3.27Å; C67-P69 WeakPolarHBondContact O-CD 3.2Å; C67-P69 VanDerWaalsContact O-N 3.15Å; P69-F81 HydrophobicContact CB-CD1 4.19Å; P69-F81 HydrophobicContact CB-CE1 4.11Å
70	F	93.2	Very high	91.1	Very high	57 Å²	57	44.1 Å²	44.1	25%	0.25	24%	0.242	C	C	.	.	B	Isolated β-bridge	trans	-133.2	163.9	177.4	61.1	-90.4	0	0	0	110.8	V39 N40 Y41 W55 M72 H204	V39-F70 HydrophobicContact CG1-CB 3.63Å; V39-F70 HydrophobicContact CG1-CD2 3.74Å; V39-F70 HydrophobicContact CG1-CG 3.93Å; N40-F70 CarbonylContact O-C 3.55Å; N40-F70 VanDerWaalsContact O-CA 3.28Å; N40-F70 WeakPolarHBondContact O-CA 3.34Å; Y41-F70 HydrophobicContact CD1-CB 3.74Å; Y41-F70 HydrophobicContact CE1-CB 3.87Å; Y41-F70 HydrophobicContact CE1-CD1 4.3Å; Y41-F70 HydrophobicContact CE1-CG 4.38Å; Y41-F70 HydrophobicContact CG-CB 4.27Å; W55-F70 HydrophobicContact CH2-CE1 4.4Å; W55-F70 HydrophobicContact CZ2-CD1 4.18Å; W55-F70 HydrophobicContact CZ2-CE1 4.24Å; W55-F70 PolarHBondContact NE1-O 3.47Å; F70-M72 HydrophobicContact CD2-CB 4.41Å; F70-M72 HydrophobicContact CE2-CB 4.11Å; F70-M72 PolarHBondContact O-N 3.44Å; F70-M72 VanDerWaalsContact O-N 3.09Å; F70-H204 HydrophobicContact CE1-CB 4.28Å; F70-H204 HydrophobicContact CZ-CB 4.1Å
71	T	91.4	Very high	91.6	Very high	32 Å²	32	45.3 Å²	45.3	20%	0.196	24%	0.24	C	C	.	.	S	Bend	trans	-62.9	115.4	-179	47.9	0	0	0	0	110.3	N40 F81	N40-T71 HydrophobicContact CB-CG2 3.79Å; N40-T71 PolarHBondContact N-OG1 3.31Å; N40-T71 VanDerWaalsContact N-OG1 3.08Å; N40-T71 PolarHBondContact O-N 3.36Å; T71-F81 HydrophobicContact CG2-CE2 4.22Å; T71-F81 HydrophobicContact CG2-CZ 3.88Å
72	M	91.8	Very high	91.9	Very high	24 Å²	24	46.1 Å²	46.1	12%	0.118	25%	0.245	C	C	.	.			trans	-142.1	169.8	177.8	66.8	179.5	-74	0	0	111.1	W55 F70 L79 H204 I319	W55-M72 HydrophobicContact CD2-SD 4.16Å; W55-M72 VanDerWaalsContact CE2-SD 3.55Å; W55-M72 HydrophobicContact CE3-SD 4.46Å; W55-M72 HydrophobicContact CH2-SD 3.68Å; W55-M72 HydrophobicContact CZ2-CG 4.08Å; W55-M72 HydrophobicContact CZ2-SD 3.29Å; W55-M72 WeakPolarHBondContact CZ2-SD 3.41Å; W55-M72 HydrophobicContact CZ3-SD 4.24Å; F70-M72 HydrophobicContact CD2-CB 4.41Å; F70-M72 HydrophobicContact CE2-CB 4.11Å; F70-M72 PolarHBondContact O-N 3.44Å; F70-M72 VanDerWaalsContact O-N 3.09Å; M72-L79 HydrophobicContact CG-CD1 3.95Å; M72-L79 HydrophobicContact CG-CG 4.49Å; M72-L79 PolarHBondContact O-N 3.28Å; M72-L79 HydrophobicContact SD-CD1 4.33Å; M72-H204 HydrophobicContact SD-CB 4.46Å; M72-I319 HydrophobicContact CE-CD1 3.2Å
73	Q	92.9	Very high	92	Very high	118 Å²	118	49.5 Å²	49.5	55%	0.551	26%	0.258	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.9	145.5	172.7	-63.9	-176	6.6	0	0	110.3	K77	Q73-K77 CarbonylContact C-O 3.12Å; Q73-K77 VanDerWaalsContact CA-O 3.25Å; Q73-K77 WeakPolarHBondContact CA-O 3.29Å
74	R	94.5	Very high	92	Very high	2 Å²	2	51.7 Å²	51.7	1%	0.008	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	125.8	171.2	172.9	162.9	174	159.5	-4.9	108.5	G76 K77 L79 E213 G316 I319 E345	R74-G76 PolarHBondContact O-N 3.1Å; R74-G76 VanDerWaalsContact O-N 3.15Å; R74-K77 PolarHBondContact N-O 3.4Å; R74-K77 PolarHBondContact O-N 3.26Å; R74-L79 HydrophobicContact CB-CD1 3.9Å; R74-L79 HydrophobicContact CB-CD2 3.91Å; R74-L79 HydrophobicContact CB-CG 3.98Å; R74-E213 IonicContact CZ-OE1 3.68Å; R74-E213 IonicContact CZ-OE2 3.59Å; R74-E213 IonicContact NH1-OE1 3.83Å; R74-E213 PolarHBondContact NH1-OE1 3.32Å; R74-E213 IonicContact NH1-OE2 2.99Å; R74-E213 PolarHBondContact NH1-OE2 2.6Å; R74-E213 IonicContact NH2-OE1 2.63Å; R74-E213 IonicContact NH2-OE2 3.04Å; R74-E213 PolarHBondContact NH2-OE2 3.36Å; R74-G316 PolarHBondContact NH1-O 3.26Å; R74-I319 CarbonylContact C-O 3.57Å; R74-I319 WeakPolarHBondContact CA-O 3.41Å; R74-I319 HydrophobicContact CB-CB 4.27Å; R74-I319 HydrophobicContact CG-CB 3.86Å; R74-I319 HydrophobicContact CG-CG2 3.82Å; R74-E345 WeakPolarHBondContact CD-OE1 3.43Å; R74-E345 WeakPolarHBondContact CG-OE1 3.08Å; R74-E345 IonicContact CZ-OE1 3.87Å; R74-E345 IonicContact CZ-OE2 2.65Å; R74-E345 IonicContact NE-OE1 3.36Å; R74-E345 PolarHBondContact NE-OE1 2.89Å; R74-E345 IonicContact NE-OE2 2.77Å; R74-E345 PolarHBondContact NE-OE2 2.92Å; R74-E345 IonicContact NH2-OE1 2.76Å; R74-E345 PolarHBondContact NH2-OE1 3.08Å; R74-E345 IonicContact NH2-OE2 3.48Å; R74-E345 PolarHBondContact NH2-OE2 2.83Å
75	C	95.7	Very high	91.9	Very high	2 Å²	2	51.5 Å²	51.5	1%	0.014	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.8	41.6	179.3	-55.4	0	0	0	0	113.3	K77 I319 C337 E338 T339 E345	C75-K77 VanDerWaalsContact C-N 3.28Å; C75-K77 PolarHBondContact O-N 2.9Å; C75-I319 PolarHBondContact N-O 2.9Å; C75-C337 CarbonylContact C-O 3.4Å; C75-C337 WeakPolarHBondContact CA-O 3.33Å; C75-C337 HydrophobicContact CB-CB 3.79Å; C75-C337 WeakPolarHBondContact CB-SG 3.36Å; C75-C337 WeakPolarHBondContact SG-CB 3.39Å; C75-C337 CovalentContact SG-SG 2.02Å; C75-C337 PolarHBondContact SG-SG 3.3Å; C75-E338 CarbonylContact O-C 3.59Å; C75-T339 WeakPolarHBondContact CB-OG1 2.98Å; C75-T339 PolarHBondContact O-N 3.4Å; C75-T339 VanDerWaalsContact O-N 3.14Å; C75-T339 PolarHBondContact O-OG1 2.83Å; C75-E345 HydrophobicContact CB-CG 4.21Å
76	G	94	Very high	92.1	Very high	42 Å²	42	52.2 Å²	52.2	43%	0.433	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.1	1.4	-179.4	0	0	0	0	0	115.7	R74	R74-G76 PolarHBondContact O-N 3.1Å; R74-G76 VanDerWaalsContact O-N 3.15Å
77	K	94.3	Very high	92.2	Very high	104 Å²	104	51.9 Å²	51.9	45%	0.452	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	135.5	176.3	-62.8	-63.6	-177.2	179.8	0	110.6	P58 Q73 R74 C75 L79 T339	P58-K77 HydrophobicContact CG-CB 3.84Å; P58-K77 HydrophobicContact CG-CG 4.04Å; Q73-K77 CarbonylContact C-O 3.12Å; Q73-K77 VanDerWaalsContact CA-O 3.25Å; Q73-K77 WeakPolarHBondContact CA-O 3.29Å; R74-K77 PolarHBondContact N-O 3.4Å; R74-K77 PolarHBondContact O-N 3.26Å; C75-K77 VanDerWaalsContact C-N 3.28Å; C75-K77 PolarHBondContact O-N 2.9Å; K77-L79 PolarHBondContact O-N 2.97Å; K77-T339 HydrophobicContact CG-CG2 3.96Å; K77-T339 VanDerWaalsContact CG-OG1 3.32Å; K77-T339 WeakPolarHBondContact CG-OG1 3.34Å
78	K	92.7	Very high	92.4	Very high	146 Å²	146	49.3 Å²	49.3	64%	0.635	26%	0.256	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.3	126	169.8	-174.7	176.7	-179.5	178.1	0	108.3
79	L	93.4	Very high	92.5	Very high	6 Å²	6	48.8 Å²	48.8	3%	0.031	25%	0.246	C	C	.	.	P	Polyproline II helix	trans	-75.5	139.8	177.4	-61.9	-176.7	0	0	0	110.2	W55 L57 M72 R74 K77	W55-L79 HydrophobicContact CB-CB 4.46Å; W55-L79 HydrophobicContact CB-CD1 3.95Å; W55-L79 HydrophobicContact CD2-CD1 4.4Å; W55-L79 HydrophobicContact CG-CB 4.35Å; W55-L79 HydrophobicContact CG-CD1 3.86Å; L57-L79 HydrophobicContact CD2-CD1 4.43Å; L57-L79 HydrophobicContact CD2-CD2 4Å; M72-L79 HydrophobicContact CG-CD1 3.95Å; M72-L79 HydrophobicContact CG-CG 4.49Å; M72-L79 PolarHBondContact O-N 3.28Å; M72-L79 HydrophobicContact SD-CD1 4.33Å; R74-L79 HydrophobicContact CB-CD1 3.9Å; R74-L79 HydrophobicContact CB-CD2 3.91Å; R74-L79 HydrophobicContact CB-CG 3.98Å; K77-L79 PolarHBondContact O-N 2.97Å
80	E	92.9	Very high	92.3	Very high	124 Å²	124	52.1 Å²	52.1	58%	0.579	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91	161.7	171	-64.5	-178.7	172.7	0	0	110.1	R56	R56-E80 HydrophobicContact CB-CB 4.17Å; R56-E80 PolarHBondContact N-O 3.27Å
81	F	94.2	Very high	92.1	Very high	52 Å²	52	54.2 Å²	54.2	23%	0.228	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	134.6	170.4	-55.4	-44.8	0	0	0	109.6	N40 A42 F54 W55 P69 T71 Y83	N40-F81 WeakPolarHBondContact O-CZ 3.39Å; A42-F81 HydrophobicContact CB-CB 4.32Å; A42-F81 HydrophobicContact CB-CD1 3.83Å; A42-F81 HydrophobicContact CB-CD2 3.88Å; A42-F81 HydrophobicContact CB-CE1 4.04Å; A42-F81 HydrophobicContact CB-CE2 4.08Å; A42-F81 HydrophobicContact CB-CG 3.75Å; A42-F81 HydrophobicContact CB-CZ 4.15Å; F54-F81 WeakPolarHBondContact O-CA 3.41Å; W55-F81 AromaticContact NE1-CE1 3.93Å; P69-F81 HydrophobicContact CB-CD1 4.19Å; P69-F81 HydrophobicContact CB-CE1 4.11Å; T71-F81 HydrophobicContact CG2-CE2 4.22Å; T71-F81 HydrophobicContact CG2-CZ 3.88Å; F81-Y83 HydrophobicContact CB-CE2 4.07Å
82	D	93.4	Very high	91.8	Very high	38 Å²	38	52.9 Å²	52.9	20%	0.203	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	138.2	169.9	-166	7.9	0	0	0	108.7	F54 R56 S62 K84	F54-D82 HydrophobicContact CB-CB 4.33Å; F54-D82 PolarHBondContact N-O 2.82Å; F54-D82 PolarHBondContact O-N 2.77Å; R56-D82 HydrophobicContact CB-CB 4.12Å; S62-D82 PolarHBondContact OG-OD2 2.82Å; D82-K84 WeakPolarHBondContact OD2-CE 3.46Å; D82-K84 IonicContact OD2-NZ 2.73Å
83	Y	93.2	Very high	91.1	Very high	72 Å²	72	59 Å²	59	28%	0.282	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	115.4	-178.3	-61.2	-78.3	0	0	0	109.2	A42 N43 P44 A47 C52 A53 F81	A42-Y83 HydrophobicContact CB-CE1 4.27Å; N43-Y83 PolarHBondContact N-OH 3.04Å; N43-Y83 WeakPolarHBondContact O-CE1 3.5Å; P44-Y83 HydrophobicContact CB-CD1 4.28Å; P44-Y83 HydrophobicContact CB-CE1 4.36Å; A47-Y83 VanDerWaalsContact CB-CB 3.47Å; A47-Y83 HydrophobicContact CB-CD1 3.75Å; A47-Y83 HydrophobicContact CB-CD2 4.03Å; A47-Y83 HydrophobicContact CB-CE1 4.47Å; A47-Y83 HydrophobicContact CB-CG 3.48Å; A47-Y83 VanDerWaalsContact CB-CG 3.48Å; C52-Y83 WeakPolarHBondContact O-CA 3.26Å; A53-Y83 HydrophobicContact CB-CD1 4.04Å; A53-Y83 HydrophobicContact CB-CE1 3.84Å; F81-Y83 HydrophobicContact CB-CE2 4.07Å
84	K	91.6	Very high	90	Very high	48 Å²	48	61.7 Å²	61.7	21%	0.209	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	169.1	-178.8	-55	-177.1	-171.2	170.9	0	110.2	H51 C52 F54 S62 D82 C86	H51-K84 CarbonylContact C-O 3.47Å; H51-K84 VanDerWaalsContact CA-O 3.31Å; H51-K84 WeakPolarHBondContact CA-O 3.22Å; C52-K84 PolarHBondContact N-O 3.2Å; C52-K84 PolarHBondContact O-N 2.58Å; C52-K84 VanDerWaalsContact O-N 3.09Å; F54-K84 HydrophobicContact CD2-CB 4.17Å; F54-K84 HydrophobicContact CD2-CD 4.45Å; F54-K84 HydrophobicContact CD2-CG 4.22Å; F54-K84 HydrophobicContact CE2-CB 3.73Å; F54-K84 HydrophobicContact CE2-CD 4.46Å; F54-K84 HydrophobicContact CE2-CG 4.25Å; S62-K84 VanDerWaalsContact OG-CE 3.23Å; S62-K84 WeakPolarHBondContact OG-CE 3.42Å; S62-K84 PolarHBondContact OG-NZ 3.35Å; D82-K84 WeakPolarHBondContact OD2-CE 3.46Å; D82-K84 IonicContact OD2-NZ 2.73Å; K84-C86 PolarHBondContact O-N 2.98Å
85	C	92.2	Very high	88.4	Confident	16 Å²	16	66.6 Å²	66.6	11%	0.108	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58	135.4	171	-53.7	0	0	0	0	109.8	Y89 K91 C107	C85-Y89 WeakPolarHBondContact CB-O 3.02Å; C85-K91 VanDerWaalsContact SG-CG 3.53Å; C85-C107 WeakPolarHBondContact CA-SG 3.42Å; C85-C107 HydrophobicContact CB-CB 3.58Å; C85-C107 WeakPolarHBondContact CB-SG 3.37Å; C85-C107 PolarHBondContact N-SG 3.08Å; C85-C107 VanDerWaalsContact N-SG 3.39Å; C85-C107 VanDerWaalsContact SG-CA 3.53Å; C85-C107 WeakPolarHBondContact SG-CB 3.3Å; C85-C107 CovalentContact SG-SG 2.03Å; C85-C107 PolarHBondContact SG-SG 3.37Å
86	C	91.2	Very high	86.6	Confident	26 Å²	26	69.2 Å²	69.2	18%	0.176	35%	0.347	C	S	.	.	P	Polyproline II helix	trans	-61	152.9	170.3	-66.4	0	0	0	0	110.4	H50 H51 C52 K84 G88 Y89	H50-C86 PolarHBondContact O-N 3.09Å; H50-C86 PolarHBondContact O-SG 3.2Å; H50-C86 VanDerWaalsContact O-SG 3.38Å; H51-C86 PolarHBondContact O-SG 3.3Å; H51-C86 VanDerWaalsContact O-SG 3.36Å; C52-C86 VanDerWaalsContact CA-SG 3.57Å; C52-C86 HydrophobicContact CB-CB 4.02Å; C52-C86 WeakPolarHBondContact CB-SG 3.3Å; C52-C86 PolarHBondContact N-SG 2.73Å; C52-C86 WeakPolarHBondContact SG-CA 3.17Å; C52-C86 WeakPolarHBondContact SG-CB 3.48Å; C52-C86 CovalentContact SG-SG 2.04Å; C52-C86 PolarHBondContact SG-SG 2.86Å; K84-C86 PolarHBondContact O-N 2.98Å; C86-G88 PolarHBondContact O-N 3.36Å; C86-Y89 HydrophobicContact CB-CD2 4.42Å; C86-Y89 PolarHBondContact O-N 3.23Å
87	A	88.4	Confident	85	Confident	27 Å²	27	77.2 Å²	77.2	22%	0.223	37%	0.365	C	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	136.3	174.8	0	0	0	0	0	111.7	Y89 A217 M219	A87-Y89 VanDerWaalsContact C-N 3.35Å; A87-A217 WeakPolarHBondContact CB-O 3.34Å; A87-M219 HydrophobicContact CB-CB 4.33Å
88	G	88.7	Confident	83.3	Confident	17 Å²	17	77.6 Å²	77.6	18%	0.175	38%	0.376	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.3	-1.2	-173	0	0	0	0	0	114.9	C86 L111	C86-G88 PolarHBondContact O-N 3.36Å; G88-L111 PolarHBondContact O-N 2.73Å
89	Y	90.8	Very high	81.8	Confident	67 Å²	67	72.7 Å²	72.7	26%	0.263	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	149	174.1	-62.9	-84.7	0	0	0	111.8	H50 C85 C86 A87 L109 Q110	H50-Y89 HydrophobicContact CB-CD1 4.47Å; H50-Y89 HydrophobicContact CB-CD2 4.18Å; H50-Y89 HydrophobicContact CB-CG 4.11Å; H50-Y89 AromaticContact CE1-CD1 3.78Å; H50-Y89 AromaticContact CE1-CE1 3.16Å; H50-Y89 WeakPolarHBondContact CE1-CE1 3.08Å; H50-Y89 AromaticContact CE1-CZ 3.37Å; H50-Y89 AromaticContact ND1-CD1 3.27Å; H50-Y89 VanDerWaalsContact ND1-CD1 3.27Å; H50-Y89 WeakPolarHBondContact ND1-CD1 3.27Å; H50-Y89 AromaticContact ND1-CE1 3.18Å; H50-Y89 WeakPolarHBondContact ND1-CE1 3.29Å; H50-Y89 AromaticContact ND1-CG 3.76Å; H50-Y89 AromaticContact ND1-CZ 3.58Å; H50-Y89 AromaticContact NE2-CZ 3.85Å; C85-Y89 WeakPolarHBondContact CB-O 3.02Å; C86-Y89 HydrophobicContact CB-CD2 4.42Å; C86-Y89 PolarHBondContact O-N 3.23Å; A87-Y89 VanDerWaalsContact C-N 3.35Å; Y89-L109 CarbonylContact C-O 3.5Å; Y89-L109 VanDerWaalsContact CA-O 3.31Å; Y89-L109 WeakPolarHBondContact CA-O 3.46Å; Y89-Q110 HydrophobicContact CD1-CB 4.18Å; Y89-Q110 HydrophobicContact CD1-CG 4.49Å; Y89-Q110 HydrophobicContact CE1-CB 3.96Å; Y89-Q110 HydrophobicContact CE1-CG 4.03Å
90	D	88.6	Confident	80.4	Confident	74 Å²	74	80.7 Å²	80.7	40%	0.396	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	167.9	177.1	-157.7	-2.5	0	0	0	111.2	C107 A108 L109 L111	D90-C107 CarbonylContact O-C 3.51Å; D90-C107 WeakPolarHBondContact O-CA 3.36Å; D90-A108 PolarHBondContact O-N 3.08Å; D90-L109 HydrophobicContact CB-CB 4.41Å; D90-L109 HydrophobicContact CB-CD2 4.36Å; D90-L109 PolarHBondContact N-O 3.38Å; D90-L109 WeakPolarHBondContact O-CB 3.35Å; D90-L109 PolarHBondContact O-N 3.3Å; D90-L109 VanDerWaalsContact O-N 3.09Å; D90-L111 HydrophobicContact CB-CD2 4.12Å; D90-L111 HydrophobicContact CB-CG 4.48Å
91	K	88.9	Confident	79.5	Confident	102 Å²	102	82.2 Å²	82.2	44%	0.443	40%	0.402	S	S	.	.			trans	-75.3	137.9	179.7	-64.7	-173.9	-179.6	-179.7	0	111	C85 E93 E106	C85-K91 VanDerWaalsContact SG-CG 3.53Å; K91-E93 PolarHBondContact O-N 2.78Å; K91-E93 VanDerWaalsContact O-N 3.13Å; K91-E106 WeakPolarHBondContact CA-O 3.11Å
92	I	83.7	Confident	78.3	Confident	3 Å²	3	83.2 Å²	83.2	2%	0.015	41%	0.406	C	S	.	.			trans	-73.1	106.6	170.1	-61.8	168.7	0	0	0	109.3	F99 F102 K104 G105 E106 A108 L109	I92-F99 HydrophobicContact CD1-CB 4.23Å; I92-F99 HydrophobicContact CD1-CD1 3.51Å; I92-F99 HydrophobicContact CD1-CE1 4.03Å; I92-F99 HydrophobicContact CD1-CG 3.96Å; I92-F99 HydrophobicContact CG1-CD1 4.28Å; I92-F99 HydrophobicContact CG1-CE1 4.41Å; I92-F102 HydrophobicContact CD1-CB 3.47Å; I92-F102 VanDerWaalsContact CD1-CB 3.47Å; I92-F102 HydrophobicContact CD1-CD2 4.41Å; I92-F102 HydrophobicContact CD1-CG 3.93Å; I92-K104 WeakPolarHBondContact O-CA 3.42Å; I92-G105 PolarHBondContact O-N 2.96Å; I92-E106 PolarHBondContact N-O 2.88Å; I92-A108 HydrophobicContact CD1-CB 3.72Å; I92-A108 HydrophobicContact CG1-CB 4.42Å; I92-L109 HydrophobicContact CG1-CB 4.27Å
93	E	78.2	Confident	77.5	Confident	153 Å²	153	88.6 Å²	88.6	72%	0.715	43%	0.428	S	S	*	.			trans	-82.7	-36.3	175.7	-64.2	-163.8	153.9	0	0	113.3	K91 K104	K91-E93 PolarHBondContact O-N 2.78Å; K91-E93 VanDerWaalsContact O-N 3.13Å; E93-K104 WeakPolarHBondContact O-CE 3.47Å
94	K	70.6	Confident	76.8	Confident	175 Å²	175	92.5 Å²	92.5	76%	0.761	45%	0.446	S	S	*	.	S	Bend	trans	-124.3	119.7	-177.5	-66.9	179.3	-176.3	172.2	0	110	S96	K94-S96 PolarHBondContact O-N 3.4Å
95	L	59.6	Low	76.3	Confident	105 Å²	105	91.9 Å²	91.9	55%	0.55	45%	0.453	S	S	.	.			trans	-72.8	93.8	173.7	-71.7	154.3	0	0	0	109.1	F102 K104	L95-F102 WeakPolarHBondContact CD2-O 2.98Å; L95-K104 HydrophobicContact CD1-CB 4.27Å
96	S	58.8	Low	76	Confident	57 Å²	57	94 Å²	94	40%	0.399	46%	0.462	S	S	.	.			trans	-81.4	163.4	162.7	59.2	0	0	0	0	110.4	K94 T98 F99	K94-S96 PolarHBondContact O-N 3.4Å; S96-T98 PolarHBondContact O-N 3.1Å; S96-T98 PolarHBondContact OG-OG1 3.44Å; S96-F99 PolarHBondContact O-N 3.08Å; S96-F99 WeakPolarHBondContact OG-CD2 3.46Å; S96-F99 WeakPolarHBondContact OG-CE2 3.49Å
97	Y	59.7	Low	76	Confident	210 Å²	210	92.8 Å²	92.8	82%	0.824	45%	0.454	S	S	*	.	G	3₁₀ helix	trans	-53.3	-22.4	-179.5	-57	-81.4	0	0	0	114.4	F99	Y97-F99 VanDerWaalsContact C-N 3.27Å; Y97-F99 PolarHBondContact O-N 2.04Å
98	T	59.4	Low	75.9	Confident	112 Å²	112	92.3 Å²	92.3	69%	0.687	45%	0.449	S	S	*	.	G	3₁₀ helix	trans	-72.5	-11	176.6	47.3	0	0	0	0	114.4	S96	S96-T98 PolarHBondContact O-N 3.1Å; S96-T98 PolarHBondContact OG-OG1 3.44Å
99	F	61.1	Low	75.8	Confident	42 Å²	42	94.7 Å²	94.7	18%	0.184	46%	0.458	C	S	.	.	G	3₁₀ helix	trans	-119.7	30.2	-175.6	-61	-75.2	0	0	0	113.4	I92 S96 Y97 D101 F102 L109	I92-F99 HydrophobicContact CD1-CB 4.23Å; I92-F99 HydrophobicContact CD1-CD1 3.51Å; I92-F99 HydrophobicContact CD1-CE1 4.03Å; I92-F99 HydrophobicContact CD1-CG 3.96Å; I92-F99 HydrophobicContact CG1-CD1 4.28Å; I92-F99 HydrophobicContact CG1-CE1 4.41Å; S96-F99 PolarHBondContact O-N 3.08Å; S96-F99 WeakPolarHBondContact OG-CD2 3.46Å; S96-F99 WeakPolarHBondContact OG-CE2 3.49Å; Y97-F99 VanDerWaalsContact C-N 3.27Å; Y97-F99 PolarHBondContact O-N 2.04Å; F99-D101 PolarHBondContact O-N 2.95Å; F99-D101 VanDerWaalsContact O-N 3.09Å; F99-F102 HydrophobicContact CB-CB 4.38Å; F99-F102 HydrophobicContact CB-CD2 4.41Å; F99-F102 AromaticContact CD1-CD2 4Å; F99-F102 HydrophobicContact CD1-CD2 4Å; F99-F102 PolarHBondContact O-N 3.4Å; F99-L109 HydrophobicContact CZ-CD1 4.06Å
100	K	63.2	Low	75.7	Confident	174 Å²	174	97.4 Å²	97.4	76%	0.757	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.5	-177	-82.8	-176.5	178.4	-178.7	0	114.5
101	D	73.6	Confident	75.7	Confident	157 Å²	157	95.3 Å²	95.3	84%	0.84	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.4	-178.7	-59.6	-34.7	0	0	0	113.5	F99	F99-D101 PolarHBondContact O-N 2.95Å; F99-D101 VanDerWaalsContact O-N 3.09Å
102	F	70.4	Confident	75.7	Confident	72 Å²	72	92.7 Å²	92.7	32%	0.316	46%	0.456	S	S	.	.	S	Bend	trans	-106.7	148.7	-177.5	-64	-79.3	0	0	0	111.7	Y49 I92 L95 F99 E106 A108	Y49-F102 HydrophobicContact CD1-CE1 4.46Å; I92-F102 HydrophobicContact CD1-CB 3.47Å; I92-F102 VanDerWaalsContact CD1-CB 3.47Å; I92-F102 HydrophobicContact CD1-CD2 4.41Å; I92-F102 HydrophobicContact CD1-CG 3.93Å; L95-F102 WeakPolarHBondContact CD2-O 2.98Å; F99-F102 HydrophobicContact CB-CB 4.38Å; F99-F102 HydrophobicContact CB-CD2 4.41Å; F99-F102 AromaticContact CD1-CD2 4Å; F99-F102 HydrophobicContact CD1-CD2 4Å; F99-F102 PolarHBondContact O-N 3.4Å; F102-E106 WeakPolarHBondContact CA-OE2 3.2Å; F102-A108 HydrophobicContact CD1-CB 3.3Å; F102-A108 HydrophobicContact CD2-CB 4.41Å; F102-A108 HydrophobicContact CE1-CB 3.38Å; F102-A108 HydrophobicContact CE2-CB 4.46Å; F102-A108 HydrophobicContact CG-CB 3.85Å; F102-A108 HydrophobicContact CZ-CB 3.99Å
103	K	75.4	Confident	75.8	Confident	151 Å²	151	94.4 Å²	94.4	66%	0.657	47%	0.467	S	S	*	.			trans	-93.5	149.9	175.2	-61	174.2	-175	166.9	0	110.7	G105 E106	K103-G105 PolarHBondContact O-N 2.91Å; K103-E106 HydrophobicContact CB-CG 4.07Å; K103-E106 WeakPolarHBondContact CB-OE1 3.43Å; K103-E106 PolarHBondContact N-OE2 2.89Å; K103-E106 WeakPolarHBondContact O-CB 3.14Å; K103-E106 PolarHBondContact O-N 3.26Å; K103-E106 VanDerWaalsContact O-N 3.14Å
104	K	79.3	Confident	76.3	Confident	154 Å²	154	95.8 Å²	95.8	67%	0.67	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54	129.1	169.5	-176.5	-179.4	178.9	179.3	0	109.4	I92 E93 L95	I92-K104 WeakPolarHBondContact O-CA 3.42Å; E93-K104 WeakPolarHBondContact O-CE 3.47Å; L95-K104 HydrophobicContact CD1-CB 4.27Å
105	G	80.8	Confident	77.1	Confident	35 Å²	35	89.5 Å²	89.5	36%	0.361	44%	0.441	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.3	-6.8	-179.5	0	0	0	0	0	115.9	I92 K103	I92-G105 PolarHBondContact O-N 2.96Å; K103-G105 PolarHBondContact O-N 2.91Å
106	E	86	Confident	78.5	Confident	61 Å²	61	86.7 Å²	86.7	29%	0.285	43%	0.425	S	S	.	.			trans	-75	144.9	173.4	-71.1	177.4	175.5	0	0	111.8	K91 I92 F102 K103 A108	K91-E106 WeakPolarHBondContact CA-O 3.11Å; I92-E106 PolarHBondContact N-O 2.88Å; F102-E106 WeakPolarHBondContact CA-OE2 3.2Å; K103-E106 HydrophobicContact CB-CG 4.07Å; K103-E106 WeakPolarHBondContact CB-OE1 3.43Å; K103-E106 PolarHBondContact N-OE2 2.89Å; K103-E106 WeakPolarHBondContact O-CB 3.14Å; K103-E106 PolarHBondContact O-N 3.26Å; K103-E106 VanDerWaalsContact O-N 3.14Å; E106-A108 PolarHBondContact O-N 3.06Å
107	C	90.1	Very high	80.1	Confident	1 Å²	1	84.1 Å²	84.1	1%	0.007	41%	0.407	C	S	.	.	S	Bend	trans	-78.5	55.1	-179.1	-64.8	0	0	0	0	112.7	H50 H51 C85 D90	H50-C107 HydrophobicContact CB-CB 4.25Å; H50-C107 WeakPolarHBondContact CB-O 3.4Å; H50-C107 PolarHBondContact ND1-O 2.67Å; H51-C107 PolarHBondContact CE1-SG 3.01Å; C85-C107 WeakPolarHBondContact CA-SG 3.42Å; C85-C107 HydrophobicContact CB-CB 3.58Å; C85-C107 WeakPolarHBondContact CB-SG 3.37Å; C85-C107 PolarHBondContact N-SG 3.08Å; C85-C107 VanDerWaalsContact N-SG 3.39Å; C85-C107 VanDerWaalsContact SG-CA 3.53Å; C85-C107 WeakPolarHBondContact SG-CB 3.3Å; C85-C107 CovalentContact SG-SG 2.03Å; C85-C107 PolarHBondContact SG-SG 3.37Å; D90-C107 CarbonylContact O-C 3.51Å; D90-C107 WeakPolarHBondContact O-CA 3.36Å
108	A	87.3	Confident	81.5	Confident	16 Å²	16	75.1 Å²	75.1	13%	0.132	37%	0.373	C	S	.	.			trans	-111	-7.6	-174.9	0	0	0	0	0	113.9	D90 I92 F102 E106 Q110	D90-A108 PolarHBondContact O-N 3.08Å; I92-A108 HydrophobicContact CD1-CB 3.72Å; I92-A108 HydrophobicContact CG1-CB 4.42Å; F102-A108 HydrophobicContact CD1-CB 3.3Å; F102-A108 HydrophobicContact CD2-CB 4.41Å; F102-A108 HydrophobicContact CE1-CB 3.38Å; F102-A108 HydrophobicContact CE2-CB 4.46Å; F102-A108 HydrophobicContact CG-CB 3.85Å; F102-A108 HydrophobicContact CZ-CB 3.99Å; E106-A108 PolarHBondContact O-N 3.06Å; A108-Q110 PolarHBondContact O-N 3.24Å
109	L	87.1	Confident	83	Confident	67 Å²	67	74.6 Å²	74.6	35%	0.351	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	104.5	173.9	-178.9	63.4	0	0	0	108.9	Y89 D90 I92 F99 L111	Y89-L109 CarbonylContact C-O 3.5Å; Y89-L109 VanDerWaalsContact CA-O 3.31Å; Y89-L109 WeakPolarHBondContact CA-O 3.46Å; D90-L109 HydrophobicContact CB-CB 4.41Å; D90-L109 HydrophobicContact CB-CD2 4.36Å; D90-L109 PolarHBondContact N-O 3.38Å; D90-L109 WeakPolarHBondContact O-CB 3.35Å; D90-L109 PolarHBondContact O-N 3.3Å; D90-L109 VanDerWaalsContact O-N 3.09Å; I92-L109 HydrophobicContact CG1-CB 4.27Å; F99-L109 HydrophobicContact CZ-CD1 4.06Å; L109-L111 PolarHBondContact O-N 2.85Å
110	Q	87.5	Confident	84.4	Confident	124 Å²	124	72.8 Å²	72.8	58%	0.579	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-74	124.4	175.1	-172.7	177.5	2.3	0	0	110.3	Y89 A108	Y89-Q110 HydrophobicContact CD1-CB 4.18Å; Y89-Q110 HydrophobicContact CD1-CG 4.49Å; Y89-Q110 HydrophobicContact CE1-CB 3.96Å; Y89-Q110 HydrophobicContact CE1-CG 4.03Å; A108-Q110 PolarHBondContact O-N 3.24Å
111	L	89.1	Confident	85.8	Confident	31 Å²	31	64.5 Å²	64.5	16%	0.162	32%	0.319	C	S	.	.	P	Polyproline II helix	trans	-73.9	130.9	169.8	-58	178.8	0	0	0	108.6	G88 D90 L109 P113 L120 M219	G88-L111 PolarHBondContact O-N 2.73Å; D90-L111 HydrophobicContact CB-CD2 4.12Å; D90-L111 HydrophobicContact CB-CG 4.48Å; L109-L111 PolarHBondContact O-N 2.85Å; L111-P113 WeakPolarHBondContact O-CD 3.49Å; L111-L120 HydrophobicContact CB-CD2 4.23Å; L111-M219 HydrophobicContact CD1-SD 4.09Å
112	S	87.9	Confident	86.7	Confident	47 Å²	47	58.6 Å²	58.6	33%	0.329	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-70.8	120.5	-174.5	177.4	0	0	0	0	110.7	Y114 E115	S112-Y114 PolarHBondContact O-N 3.28Å; S112-Y114 VanDerWaalsContact O-N 3.08Å; S112-Y114 PolarHBondContact OG-N 2.93Å; S112-E115 WeakPolarHBondContact O-CB 3.43Å; S112-E115 PolarHBondContact O-N 3.41Å; S112-E115 VanDerWaalsContact O-N 3.08Å
113	P	87.7	Confident	87.7	Confident	38 Å²	38	60.7 Å²	60.7	25%	0.247	31%	0.309	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-5.7	173.9	31.1	-36.1	0	0	0	112.2	L111 E220 C221 N222	L111-P113 WeakPolarHBondContact O-CD 3.49Å; P113-E220 HydrophobicContact CB-CB 4.01Å; P113-C221 CarbonylContact O-C 3.51Å; P113-C221 WeakPolarHBondContact O-CA 3.14Å; P113-N222 WeakPolarHBondContact O-CA 3.36Å; P113-N222 PolarHBondContact O-N 2.93Å
114	Y	87.5	Confident	88.3	Confident	183 Å²	183	55.6 Å²	55.6	72%	0.718	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.6	-3.6	175.3	-54.8	-73.2	0	0	0	113.1	S112 N222	S112-Y114 PolarHBondContact O-N 3.28Å; S112-Y114 VanDerWaalsContact O-N 3.08Å; S112-Y114 PolarHBondContact OG-N 2.93Å; Y114-N222 WeakPolarHBondContact O-CB 3.43Å
115	E	88.5	Confident	88.7	Confident	43 Å²	43	53.5 Å²	53.5	20%	0.201	29%	0.292	C	S	.	.	S	Bend	trans	-76.1	149.9	176	-164.7	165	158	0	0	110.5	S112 C117 E119 L120 N123 N222	S112-E115 WeakPolarHBondContact O-CB 3.43Å; S112-E115 PolarHBondContact O-N 3.41Å; S112-E115 VanDerWaalsContact O-N 3.08Å; E115-C117 PolarHBondContact O-N 3.47Å; E115-E119 HydrophobicContact CG-CB 4.01Å; E115-E119 HydrophobicContact CG-CG 4.09Å; E115-E119 WeakPolarHBondContact CG-OE2 3.32Å; E115-E119 VanDerWaalsContact OE1-CG 3.23Å; E115-E119 WeakPolarHBondContact OE1-CG 3.26Å; E115-L120 HydrophobicContact CB-CD1 4.06Å; E115-L120 HydrophobicContact CB-CD2 4.03Å; E115-L120 HydrophobicContact CB-CG 3.83Å; E115-L120 HydrophobicContact CG-CD2 4.14Å; E115-L120 HydrophobicContact CG-CG 3.95Å; E115-N123 PolarHBondContact OE1-ND2 2.86Å; E115-N123 VanDerWaalsContact OE1-ND2 3.1Å; E115-N222 WeakPolarHBondContact O-CB 3.42Å; E115-N222 PolarHBondContact O-N 3.19Å
116	M	88.7	Confident	89	Confident	46 Å²	46	53.4 Å²	53.4	23%	0.227	28%	0.284	C	S	.	.			trans	-65.6	136.7	179	-70.2	-175	64.6	0	0	109.3	M118 E119 L120 K143	M116-M118 PolarHBondContact O-N 2.94Å; M116-M118 VanDerWaalsContact O-N 3.09Å; M116-E119 HydrophobicContact CB-CB 4.22Å; M116-E119 WeakPolarHBondContact O-CA 3.26Å; M116-E119 WeakPolarHBondContact O-CB 3.4Å; M116-E119 PolarHBondContact O-N 2.83Å; M116-L120 PolarHBondContact O-N 3.04Å; M116-K143 HydrophobicContact SD-CG 4.07Å
117	C	91.5	Very high	89.3	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.02	27%	0.27	C	S	.	.	H	α-helix	trans	-53.6	-37.7	179.6	-49.8	0	0	0	0	112.1	E115 E119 I121 I151 C221 I226	E115-C117 PolarHBondContact O-N 3.47Å; C117-E119 VanDerWaalsContact C-N 3.34Å; C117-E119 PolarHBondContact O-N 3.46Å; C117-I121 WeakPolarHBondContact O-CB 3.39Å; C117-I121 WeakPolarHBondContact O-CD1 3.25Å; C117-I121 WeakPolarHBondContact O-CG1 3.37Å; C117-I121 PolarHBondContact O-N 3.22Å; C117-I151 HydrophobicContact CB-CD1 3.58Å; C117-C221 HydrophobicContact CB-CB 3.77Å; C117-C221 WeakPolarHBondContact CB-SG 3.31Å; C117-C221 WeakPolarHBondContact SG-CB 3.44Å; C117-C221 CovalentContact SG-SG 2.02Å; C117-C221 PolarHBondContact SG-SG 3.04Å; C117-I226 HydrophobicContact CB-CD1 4.05Å; C117-I226 HydrophobicContact CB-CG1 4.46Å
118	M	89.8	Confident	89.4	Confident	21 Å²	21	52.2 Å²	52.2	10%	0.103	28%	0.282	C	S	.	.	H	α-helix	trans	-59.6	-40.2	174.8	-71.3	-69.5	-66.5	0	0	114	M116 G122 S131 M134 K135 F140	M116-M118 PolarHBondContact O-N 2.94Å; M116-M118 VanDerWaalsContact O-N 3.09Å; M118-G122 PolarHBondContact O-N 3.34Å; M118-S131 WeakPolarHBondContact CE-O 3.41Å; M118-S131 PolarHBondContact O-OG 3.22Å; M118-M134 HydrophobicContact CE-CB 3.84Å; M118-M134 HydrophobicContact CG-CE 4.42Å; M118-M134 HydrophobicContact SD-CB 3.22Å; M118-M134 WeakPolarHBondContact SD-CB 3.2Å; M118-M134 HydrophobicContact SD-CE 3.57Å; M118-M134 VanDerWaalsContact SD-CE 3.57Å; M118-M134 HydrophobicContact SD-CG 4.06Å; M118-M134 HydrophobicContact SD-SD 3.65Å; M118-M134 VanDerWaalsContact SD-SD 3.65Å; M118-K135 HydrophobicContact CE-CG 3.71Å; M118-F140 HydrophobicContact CG-CB 3.87Å; M118-F140 HydrophobicContact CG-CD1 4.11Å; M118-F140 HydrophobicContact CG-CG 4.2Å; M118-F140 HydrophobicContact SD-CB 4.21Å; M118-F140 HydrophobicContact SD-CG 4.36Å
119	E	90.1	Very high	89.5	Confident	101 Å²	101	53.5 Å²	53.5	47%	0.472	29%	0.289	S	S	.	.	H	α-helix	trans	-73.9	-45.6	-178.2	-167	179.1	-176.3	0	0	109.7	E115 M116 C117 I121 G122 N123	E115-E119 HydrophobicContact CG-CB 4.01Å; E115-E119 HydrophobicContact CG-CG 4.09Å; E115-E119 WeakPolarHBondContact CG-OE2 3.32Å; E115-E119 VanDerWaalsContact OE1-CG 3.23Å; E115-E119 WeakPolarHBondContact OE1-CG 3.26Å; M116-E119 HydrophobicContact CB-CB 4.22Å; M116-E119 WeakPolarHBondContact O-CA 3.26Å; M116-E119 WeakPolarHBondContact O-CB 3.4Å; M116-E119 PolarHBondContact O-N 2.83Å; C117-E119 VanDerWaalsContact C-N 3.34Å; C117-E119 PolarHBondContact O-N 3.46Å; E119-I121 PolarHBondContact O-N 3.25Å; E119-G122 CarbonylContact O-C 3.58Å; E119-G122 PolarHBondContact O-N 3.01Å; E119-G122 VanDerWaalsContact O-N 3.11Å; E119-N123 WeakPolarHBondContact O-CB 3.5Å; E119-N123 PolarHBondContact O-N 2.89Å; E119-N123 PolarHBondContact O-ND2 3.44Å
120	L	91.6	Very high	89.7	Confident	4 Å²	4	50.3 Å²	50.3	2%	0.021	27%	0.272	C	S	.	.	H	α-helix	trans	-58.1	-46.6	173.3	-72.4	171.4	0	0	0	112.5	L111 E115 M116 G122 N123 Q124 C221 I226	L111-L120 HydrophobicContact CB-CD2 4.23Å; E115-L120 HydrophobicContact CB-CD1 4.06Å; E115-L120 HydrophobicContact CB-CD2 4.03Å; E115-L120 HydrophobicContact CB-CG 3.83Å; E115-L120 HydrophobicContact CG-CD2 4.14Å; E115-L120 HydrophobicContact CG-CG 3.95Å; M116-L120 PolarHBondContact O-N 3.04Å; L120-G122 VanDerWaalsContact C-N 3.34Å; L120-G122 PolarHBondContact O-N 2.56Å; L120-N123 PolarHBondContact O-N 2.92Å; L120-Q124 WeakPolarHBondContact O-CG 3.26Å; L120-Q124 PolarHBondContact O-N 2.86Å; L120-C221 HydrophobicContact CD1-CB 3.55Å; L120-I226 HydrophobicContact CB-CD1 4.39Å
121	I	92.7	Very high	89.9	Confident	0 Å²	0	45 Å²	45	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-60.9	-46.2	174.7	-67.2	165.9	0	0	0	109.8	C117 E119 N123 Q124 I127 S128 F130 M134 I151 I226	C117-I121 WeakPolarHBondContact O-CB 3.39Å; C117-I121 WeakPolarHBondContact O-CD1 3.25Å; C117-I121 WeakPolarHBondContact O-CG1 3.37Å; C117-I121 PolarHBondContact O-N 3.22Å; E119-I121 PolarHBondContact O-N 3.25Å; I121-N123 VanDerWaalsContact C-N 3.26Å; I121-N123 PolarHBondContact O-N 3.48Å; I121-Q124 PolarHBondContact O-N 2.98Å; I121-Q124 VanDerWaalsContact O-N 3.14Å; I121-I127 HydrophobicContact CB-CD1 4.3Å; I121-I127 HydrophobicContact CG1-CD1 4.03Å; I121-I127 HydrophobicContact CG2-CB 4.36Å; I121-I127 HydrophobicContact CG2-CD1 4.13Å; I121-I127 HydrophobicContact CG2-CG1 4.04Å; I121-I127 VanDerWaalsContact CG2-O 3.28Å; I121-I127 WeakPolarHBondContact CG2-O 3.49Å; I121-S128 WeakPolarHBondContact O-CA 3.26Å; I121-S128 PolarHBondContact O-N 3.06Å; I121-F130 HydrophobicContact CD1-CD1 4.24Å; I121-F130 HydrophobicContact CG2-CB 4.24Å; I121-F130 HydrophobicContact CG2-CD1 4.36Å; I121-M134 HydrophobicContact CD1-CE 4.25Å; I121-M134 HydrophobicContact CD1-SD 3.66Å; I121-I151 HydrophobicContact CD1-CD1 4.35Å; I121-I151 HydrophobicContact CD1-CG2 4.03Å; I121-I226 HydrophobicContact CD1-CD1 4.06Å; I121-I226 HydrophobicContact CD1-CG1 4.23Å; I121-I226 HydrophobicContact CG1-CD1 3.75Å; I121-I226 HydrophobicContact CG1-CG1 4.33Å; I121-I226 HydrophobicContact CG1-CG2 4.34Å
122	G	91.9	Very high	89.8	Confident	32 Å²	32	48.3 Å²	48.3	33%	0.33	27%	0.267	S	S	.	.	H	α-helix	trans	-62.1	-30.9	-179.5	0	0	0	0	0	114	M118 E119 L120 Q124 S128	M118-G122 PolarHBondContact O-N 3.34Å; E119-G122 CarbonylContact O-C 3.58Å; E119-G122 PolarHBondContact O-N 3.01Å; E119-G122 VanDerWaalsContact O-N 3.11Å; L120-G122 VanDerWaalsContact C-N 3.34Å; L120-G122 PolarHBondContact O-N 2.56Å; G122-Q124 VanDerWaalsContact C-N 3.35Å; G122-S128 WeakPolarHBondContact O-CB 3.44Å
123	N	90.3	Very high	89.8	Confident	117 Å²	117	49.9 Å²	49.9	63%	0.626	27%	0.268	S	S	*	.	H	α-helix	trans	-80.1	-15.3	178.4	-69.7	-22.6	0	0	0	113	E115 E119 L120 I121	E115-N123 PolarHBondContact OE1-ND2 2.86Å; E115-N123 VanDerWaalsContact OE1-ND2 3.1Å; E119-N123 WeakPolarHBondContact O-CB 3.5Å; E119-N123 PolarHBondContact O-N 2.89Å; E119-N123 PolarHBondContact O-ND2 3.44Å; L120-N123 PolarHBondContact O-N 2.92Å; I121-N123 VanDerWaalsContact C-N 3.26Å; I121-N123 PolarHBondContact O-N 3.48Å
124	Q	88.8	Confident	89.8	Confident	44 Å²	44	48 Å²	48	21%	0.206	26%	0.256	C	S	.	.			trans	-95.7	114.8	179	-72.7	-172.1	3.8	0	0	112.2	L120 I121 G122 D126 I127 S128 M219	L120-Q124 WeakPolarHBondContact O-CG 3.26Å; L120-Q124 PolarHBondContact O-N 2.86Å; I121-Q124 PolarHBondContact O-N 2.98Å; I121-Q124 VanDerWaalsContact O-N 3.14Å; G122-Q124 VanDerWaalsContact C-N 3.35Å; Q124-D126 PolarHBondContact O-N 3.34Å; Q124-D126 VanDerWaalsContact O-N 3.1Å; Q124-I127 HydrophobicContact CB-CD1 4.21Å; Q124-I127 HydrophobicContact CB-CG1 3.66Å; Q124-I127 PolarHBondContact O-N 3.27Å; Q124-I127 VanDerWaalsContact O-N 3.12Å; Q124-S128 WeakPolarHBondContact O-CA 3.38Å; Q124-S128 WeakPolarHBondContact O-CB 3.4Å; Q124-S128 PolarHBondContact O-N 3.44Å; Q124-M219 PolarHBondContact NE2-SD 3.08Å
125	S	87.2	Confident	89.8	Confident	109 Å²	109	45.3 Å²	45.3	76%	0.762	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-30.2	-175.4	57.3	0	0	0	0	115.1
126	D	87.7	Confident	89.6	Confident	33 Å²	33	47.2 Å²	47.2	18%	0.176	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78	-20.8	-177.4	-153.4	-15.1	0	0	0	113.3	Q124 S155 T156 R157	Q124-D126 PolarHBondContact O-N 3.34Å; Q124-D126 VanDerWaalsContact O-N 3.1Å; D126-S155 CarbonylContact O-C 3.53Å; D126-S155 WeakPolarHBondContact O-CA 3.27Å; D126-S155 WeakPolarHBondContact OD1-CB 3.32Å; D126-S155 PolarHBondContact OD1-OG 3.24Å; D126-T156 PolarHBondContact O-N 3.39Å; D126-T156 PolarHBondContact O-OG1 2.89Å; D126-R157 WeakPolarHBondContact OD1-CG 3.38Å; D126-R157 IonicContact OD1-NE 2.67Å; D126-R157 IonicContact OD2-CZ 2.85Å; D126-R157 IonicContact OD2-NE 3.55Å; D126-R157 PolarHBondContact OD2-NE 3Å; D126-R157 IonicContact OD2-NH2 2.7Å; D126-R157 PolarHBondContact OD2-NH2 2.91Å
127	I	91.7	Very high	89.6	Confident	1 Å²	1	46 Å²	46	1%	0.005	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-131.2	-2.2	-176	59.9	171.3	0	0	0	113.6	I121 Q124 P129 F130 A153 M219 I226 T228	I121-I127 HydrophobicContact CB-CD1 4.3Å; I121-I127 HydrophobicContact CG1-CD1 4.03Å; I121-I127 HydrophobicContact CG2-CB 4.36Å; I121-I127 HydrophobicContact CG2-CD1 4.13Å; I121-I127 HydrophobicContact CG2-CG1 4.04Å; I121-I127 VanDerWaalsContact CG2-O 3.28Å; I121-I127 WeakPolarHBondContact CG2-O 3.49Å; Q124-I127 HydrophobicContact CB-CD1 4.21Å; Q124-I127 HydrophobicContact CB-CG1 3.66Å; Q124-I127 PolarHBondContact O-N 3.27Å; Q124-I127 VanDerWaalsContact O-N 3.12Å; I127-P129 VanDerWaalsContact C-N 3.33Å; I127-F130 VanDerWaalsContact O-CB 3.24Å; I127-F130 WeakPolarHBondContact O-CB 3.29Å; I127-F130 PolarHBondContact O-N 3.23Å; I127-A153 HydrophobicContact CB-CB 4.22Å; I127-A153 HydrophobicContact CD1-CB 3.96Å; I127-A153 HydrophobicContact CG2-CB 4.18Å; I127-M219 HydrophobicContact CD1-CE 4.16Å; I127-I226 HydrophobicContact CD1-CG2 4.36Å; I127-T228 HydrophobicContact CG2-CG2 3.74Å
128	S	92.2	Very high	89.3	Confident	36 Å²	36	51.2 Å²	51.2	25%	0.252	29%	0.288	S	S	.	.	H	α-helix	trans	-54.2	-36.1	-174.8	65	0	0	0	0	115.5	I121 G122 Q124 F130 S131	I121-S128 WeakPolarHBondContact O-CA 3.26Å; I121-S128 PolarHBondContact O-N 3.06Å; G122-S128 WeakPolarHBondContact O-CB 3.44Å; Q124-S128 WeakPolarHBondContact O-CA 3.38Å; Q124-S128 WeakPolarHBondContact O-CB 3.4Å; Q124-S128 PolarHBondContact O-N 3.44Å; S128-F130 PolarHBondContact O-N 3.01Å; S128-S131 VanDerWaalsContact O-CB 3.27Å; S128-S131 WeakPolarHBondContact O-CB 3.45Å; S128-S131 PolarHBondContact O-N 2.97Å
129	P	89.8	Confident	89	Confident	44 Å²	44	52.9 Å²	52.9	29%	0.286	30%	0.295	S	S	.	.	H	α-helix	trans	-62.2	-20.5	177.7	-27.3	41.5	0	0	0	113.4	I127 S131 D132 T156 Y162	I127-P129 VanDerWaalsContact C-N 3.33Å; P129-S131 VanDerWaalsContact C-N 3.34Å; P129-D132 PolarHBondContact O-N 3.19Å; P129-T156 HydrophobicContact CB-CG2 4.12Å; P129-T156 HydrophobicContact CG-CG2 3.68Å; P129-Y162 HydrophobicContact CB-CE1 3.74Å; P129-Y162 PolarHBondContact O-OH 3.42Å
130	F	91.3	Very high	88.6	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-72.5	-30.5	177.8	-174.1	-109.2	0	0	0	112.1	I121 I127 S128 D132 K133 M134 I151 A153 P154 Y162 F165 H171	I121-F130 HydrophobicContact CD1-CD1 4.24Å; I121-F130 HydrophobicContact CG2-CB 4.24Å; I121-F130 HydrophobicContact CG2-CD1 4.36Å; I127-F130 VanDerWaalsContact O-CB 3.24Å; I127-F130 WeakPolarHBondContact O-CB 3.29Å; I127-F130 PolarHBondContact O-N 3.23Å; S128-F130 PolarHBondContact O-N 3.01Å; F130-D132 VanDerWaalsContact C-N 3.29Å; F130-D132 PolarHBondContact O-N 3.41Å; F130-K133 WeakPolarHBondContact O-CB 3.47Å; F130-K133 PolarHBondContact O-N 2.84Å; F130-K133 VanDerWaalsContact O-N 3.1Å; F130-M134 HydrophobicContact CD1-CG 3.96Å; F130-M134 HydrophobicContact CD1-SD 3.48Å; F130-M134 WeakPolarHBondContact CD1-SD 3.47Å; F130-M134 HydrophobicContact CE1-CG 3.6Å; F130-M134 HydrophobicContact CE1-SD 3.26Å; F130-M134 WeakPolarHBondContact CE1-SD 3.4Å; F130-M134 HydrophobicContact CZ-CG 3.95Å; F130-M134 HydrophobicContact CZ-SD 4.18Å; F130-M134 WeakPolarHBondContact O-CG 3.36Å; F130-M134 PolarHBondContact O-N 2.75Å; F130-M134 VanDerWaalsContact O-N 3.12Å; F130-I151 HydrophobicContact CD1-CG2 4.39Å; F130-I151 HydrophobicContact CE1-CG2 3.54Å; F130-I151 HydrophobicContact CZ-CG2 4.35Å; F130-A153 HydrophobicContact CD1-CB 4.01Å; F130-A153 HydrophobicContact CE1-CB 4.39Å; F130-P154 VanDerWaalsContact CD2-CD 3.4Å; F130-P154 HydrophobicContact CD2-CG 3.81Å; F130-P154 HydrophobicContact CE2-CG 4.25Å; F130-P154 HydrophobicContact CG-CG 4.38Å; F130-Y162 WeakPolarHBondContact CA-OH 3.4Å; F130-Y162 PolarHBondContact N-OH 2.93Å; F130-F165 AromaticContact CD2-CE1 3.6Å; F130-F165 HydrophobicContact CD2-CE1 3.6Å; F130-F165 AromaticContact CD2-CZ 3.82Å; F130-F165 HydrophobicContact CD2-CZ 3.82Å; F130-F165 AromaticContact CE2-CE1 3.84Å; F130-F165 HydrophobicContact CE2-CE1 3.84Å; F130-F165 AromaticContact CE2-CZ 3.55Å; F130-F165 HydrophobicContact CE2-CZ 3.55Å; F130-H171 HydrophobicContact CE2-CB 3.96Å; F130-H171 HydrophobicContact CZ-CB 3.61Å
131	S	91.1	Very high	87.9	Confident	13 Å²	13	55.2 Å²	55.2	9%	0.091	30%	0.304	C	S	.	.	H	α-helix	trans	-55.8	-45.2	174.2	-174	0	0	0	0	110.9	M118 S128 P129 K133 M134 K135	M118-S131 WeakPolarHBondContact CE-O 3.41Å; M118-S131 PolarHBondContact O-OG 3.22Å; S128-S131 VanDerWaalsContact O-CB 3.27Å; S128-S131 WeakPolarHBondContact O-CB 3.45Å; S128-S131 PolarHBondContact O-N 2.97Å; P129-S131 VanDerWaalsContact C-N 3.34Å; S131-K133 VanDerWaalsContact C-N 3.29Å; S131-K133 PolarHBondContact O-N 3.19Å; S131-M134 PolarHBondContact O-N 2.94Å; S131-K135 PolarHBondContact O-N 3.25Å
132	D	88.2	Confident	87.1	Confident	99 Å²	99	58.6 Å²	58.6	53%	0.529	33%	0.325	S	S	.	.	H	α-helix	trans	-62	-36.3	178.3	-74.5	-34.1	0	0	0	113.3	P129 F130 M134 K135	P129-D132 PolarHBondContact O-N 3.19Å; F130-D132 VanDerWaalsContact C-N 3.29Å; F130-D132 PolarHBondContact O-N 3.41Å; D132-M134 VanDerWaalsContact C-N 3.32Å; D132-M134 PolarHBondContact O-N 3.47Å; D132-K135 WeakPolarHBondContact O-CB 3.38Å; D132-K135 PolarHBondContact O-N 3.34Å; D132-K135 WeakPolarHBondContact OD1-CE 3.41Å; D132-K135 IonicContact OD1-NZ 2.75Å; D132-K135 PolarHBondContact OD1-NZ 3.36Å
133	K	86.6	Confident	86	Confident	80 Å²	80	64.9 Å²	64.9	35%	0.348	34%	0.343	S	S	.	.	H	α-helix	trans	-70.5	-30.7	-179.8	-61.7	-76.6	-179.8	160.4	0	112.1	F130 S131 S136 F165 S168	F130-K133 WeakPolarHBondContact O-CB 3.47Å; F130-K133 PolarHBondContact O-N 2.84Å; F130-K133 VanDerWaalsContact O-N 3.1Å; S131-K133 VanDerWaalsContact C-N 3.29Å; S131-K133 PolarHBondContact O-N 3.19Å; K133-S136 PolarHBondContact O-OG 3.11Å; K133-F165 HydrophobicContact CB-CE1 3.85Å; K133-F165 HydrophobicContact CD-CD1 4.29Å; K133-F165 HydrophobicContact CD-CE1 4.27Å; K133-F165 HydrophobicContact CG-CD1 4.04Å; K133-F165 HydrophobicContact CG-CE1 3.73Å; K133-F165 PolarHBondContact NZ-O 2.8Å; K133-S168 PolarHBondContact O-OG 3.38Å
134	M	89.3	Confident	85.2	Confident	0 Å²	0	65 Å²	65	0%	0	35%	0.348	C	S	.	.	H	α-helix	trans	-74.9	-20.4	177.8	-70.2	173.2	71.3	0	0	113.5	M118 I121 F130 S131 D132 S136 L137 F140 I151 I172	M118-M134 HydrophobicContact CE-CB 3.84Å; M118-M134 HydrophobicContact CG-CE 4.42Å; M118-M134 HydrophobicContact SD-CB 3.22Å; M118-M134 WeakPolarHBondContact SD-CB 3.2Å; M118-M134 HydrophobicContact SD-CE 3.57Å; M118-M134 VanDerWaalsContact SD-CE 3.57Å; M118-M134 HydrophobicContact SD-CG 4.06Å; M118-M134 HydrophobicContact SD-SD 3.65Å; M118-M134 VanDerWaalsContact SD-SD 3.65Å; I121-M134 HydrophobicContact CD1-CE 4.25Å; I121-M134 HydrophobicContact CD1-SD 3.66Å; F130-M134 HydrophobicContact CD1-CG 3.96Å; F130-M134 HydrophobicContact CD1-SD 3.48Å; F130-M134 WeakPolarHBondContact CD1-SD 3.47Å; F130-M134 HydrophobicContact CE1-CG 3.6Å; F130-M134 HydrophobicContact CE1-SD 3.26Å; F130-M134 WeakPolarHBondContact CE1-SD 3.4Å; F130-M134 HydrophobicContact CZ-CG 3.95Å; F130-M134 HydrophobicContact CZ-SD 4.18Å; F130-M134 WeakPolarHBondContact O-CG 3.36Å; F130-M134 PolarHBondContact O-N 2.75Å; F130-M134 VanDerWaalsContact O-N 3.12Å; S131-M134 PolarHBondContact O-N 2.94Å; D132-M134 VanDerWaalsContact C-N 3.32Å; D132-M134 PolarHBondContact O-N 3.47Å; M134-S136 PolarHBondContact O-N 3.12Å; M134-L137 WeakPolarHBondContact O-CB 3.34Å; M134-L137 PolarHBondContact O-N 2.89Å; M134-F140 HydrophobicContact CE-CD1 3.87Å; M134-F140 HydrophobicContact CE-CD2 3.92Å; M134-F140 HydrophobicContact CE-CE1 3.63Å; M134-F140 HydrophobicContact CE-CE2 3.71Å; M134-F140 HydrophobicContact CE-CG 4.01Å; M134-F140 HydrophobicContact CE-CZ 3.55Å; M134-I151 HydrophobicContact CE-CD1 3.74Å; M134-I151 HydrophobicContact CE-CG1 4.25Å; M134-I151 HydrophobicContact CE-CG2 4.35Å; M134-I151 HydrophobicContact SD-CG2 4.37Å; M134-I172 HydrophobicContact CE-CD1 3.88Å; M134-I172 HydrophobicContact CG-CD1 4.13Å
135	K	86.8	Confident	84.5	Confident	125 Å²	125	64.2 Å²	64.2	54%	0.543	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-25.9	-180	-70.4	176.3	176.8	164.5	0	113.8	M118 S131 D132 L137	M118-K135 HydrophobicContact CE-CG 3.71Å; S131-K135 PolarHBondContact O-N 3.25Å; D132-K135 WeakPolarHBondContact O-CB 3.38Å; D132-K135 PolarHBondContact O-N 3.34Å; D132-K135 WeakPolarHBondContact OD1-CE 3.41Å; D132-K135 IonicContact OD1-NZ 2.75Å; D132-K135 PolarHBondContact OD1-NZ 3.36Å; K135-L137 PolarHBondContact O-N 2.79Å
136	S	84.7	Confident	84.2	Confident	83 Å²	83	64.6 Å²	64.6	58%	0.58	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-20.2	177.6	62.4	0	0	0	0	113.6	K133 M134	K133-S136 PolarHBondContact O-OG 3.11Å; M134-S136 PolarHBondContact O-N 3.12Å
137	L	87.4	Confident	84.1	Confident	22 Å²	22	67 Å²	67	12%	0.115	35%	0.349	C	S	.	.			trans	-89.2	127.1	-174.4	-58.4	177.1	0	0	0	111.2	M134 K135 Q139 F140 A169 I172 L191	M134-L137 WeakPolarHBondContact O-CB 3.34Å; M134-L137 PolarHBondContact O-N 2.89Å; K135-L137 PolarHBondContact O-N 2.79Å; L137-Q139 PolarHBondContact O-N 3.01Å; L137-F140 HydrophobicContact CB-CD2 4.08Å; L137-F140 HydrophobicContact CD1-CD2 4.42Å; L137-F140 HydrophobicContact CD1-CE2 4.34Å; L137-F140 PolarHBondContact O-N 3.26Å; L137-A169 HydrophobicContact CD2-CB 4Å; L137-I172 HydrophobicContact CD1-CD1 3.41Å; L137-I172 VanDerWaalsContact CD1-CD1 3.41Å; L137-L191 HydrophobicContact CD1-CD1 4.41Å
138	N	85.3	Confident	84.2	Confident	111 Å²	111	69.3 Å²	69.3	59%	0.594	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-62.9	-27.3	-177.3	-70.9	-23.9	0	0	0	113.2	F140 K141	N138-F140 PolarHBondContact O-N 2.86Å; N138-K141 PolarHBondContact O-N 2.71Å; N138-K141 VanDerWaalsContact O-N 3.17Å; N138-K141 WeakPolarHBondContact OD1-CE 3.42Å; N138-K141 PolarHBondContact OD1-NZ 2.74Å
139	Q	84	Confident	84.3	Confident	56 Å²	56	67.7 Å²	67.7	26%	0.262	35%	0.352	S	S	.	.	G	3₁₀ helix	trans	-61	-23.9	-178.6	-63.9	79.3	-1.5	0	0	112.9	L137 Y149 L191	L137-Q139 PolarHBondContact O-N 3.01Å; Q139-Y149 HydrophobicContact CB-CE2 4.08Å; Q139-Y149 HydrophobicContact CG-CE1 4.25Å; Q139-Y149 HydrophobicContact CG-CE2 4.44Å; Q139-Y149 VanDerWaalsContact CG-OH 3.22Å; Q139-Y149 WeakPolarHBondContact CG-OH 3.31Å; Q139-L191 HydrophobicContact CB-CD1 4.41Å; Q139-L191 HydrophobicContact CG-CD1 3.9Å; Q139-L191 HydrophobicContact CG-CD2 4.33Å
140	F	81.9	Confident	84.6	Confident	19 Å²	19	65.6 Å²	65.6	8%	0.083	34%	0.339	C	S	.	.	G	3₁₀ helix	trans	-109.3	8.3	-178.5	-60.7	-80	0	0	0	113.5	M118 M134 L137 N138 Y149 I151 I172	M118-F140 HydrophobicContact CG-CB 3.87Å; M118-F140 HydrophobicContact CG-CD1 4.11Å; M118-F140 HydrophobicContact CG-CG 4.2Å; M118-F140 HydrophobicContact SD-CB 4.21Å; M118-F140 HydrophobicContact SD-CG 4.36Å; M134-F140 HydrophobicContact CE-CD1 3.87Å; M134-F140 HydrophobicContact CE-CD2 3.92Å; M134-F140 HydrophobicContact CE-CE1 3.63Å; M134-F140 HydrophobicContact CE-CE2 3.71Å; M134-F140 HydrophobicContact CE-CG 4.01Å; M134-F140 HydrophobicContact CE-CZ 3.55Å; L137-F140 HydrophobicContact CB-CD2 4.08Å; L137-F140 HydrophobicContact CD1-CD2 4.42Å; L137-F140 HydrophobicContact CD1-CE2 4.34Å; L137-F140 PolarHBondContact O-N 3.26Å; N138-F140 PolarHBondContact O-N 2.86Å; F140-Y149 HydrophobicContact CZ-CD2 4.37Å; F140-Y149 HydrophobicContact CZ-CG 4.29Å; F140-I151 HydrophobicContact CE1-CD1 3.91Å; F140-I151 HydrophobicContact CZ-CD1 4.06Å; F140-I151 HydrophobicContact CZ-CG1 4.26Å; F140-I172 HydrophobicContact CD2-CD1 4.36Å; F140-I172 HydrophobicContact CE2-CD1 3.41Å; F140-I172 VanDerWaalsContact CE2-CD1 3.41Å; F140-I172 HydrophobicContact CE2-CG2 4.07Å; F140-I172 HydrophobicContact CZ-CD1 3.87Å; F140-I172 HydrophobicContact CZ-CG2 3.91Å
141	K	77.4	Confident	84.9	Confident	135 Å²	135	65.6 Å²	65.6	59%	0.587	34%	0.339	S	S	*	.	S	Bend	trans	-81.7	-19	176	-68.2	-177.6	-178.6	168.3	0	113.3	N138	N138-K141 PolarHBondContact O-N 2.71Å; N138-K141 VanDerWaalsContact O-N 3.17Å; N138-K141 WeakPolarHBondContact OD1-CE 3.42Å; N138-K141 PolarHBondContact OD1-NZ 2.74Å
142	T	75	Confident	85.1	Confident	72 Å²	72	65 Å²	65	44%	0.442	33%	0.334	S	S	.	.	S	Bend	trans	-108	142.4	-178.3	54.8	0	0	0	0	111	T144	T142-T144 PolarHBondContact O-N 3.48Å; T142-T144 PolarHBondContact OG1-O 3.24Å
143	K	70.4	Confident	85.4	Confident	163 Å²	163	60.2 Å²	60.2	71%	0.709	31%	0.309	S	S	*	.	S	Bend	trans	-64.5	-22	175.2	-71.4	-168.9	175.3	-171.6	0	113.6	M116 N222	M116-K143 HydrophobicContact SD-CG 4.07Å; K143-N222 PolarHBondContact O-ND2 3.38Å
144	T	73	Confident	85.8	Confident	119 Å²	119	56.4 Å²	56.4	73%	0.73	29%	0.293	S	S	*	.	S	Bend	trans	-121.9	90.8	178.6	52.3	0	0	0	0	109.5	T142	T142-T144 PolarHBondContact O-N 3.48Å; T142-T144 PolarHBondContact OG1-O 3.24Å
145	P	72.9	Confident	85.8	Confident	28 Å²	28	56.4 Å²	56.4	18%	0.182	29%	0.293	C	S	.	.			trans	-64.4	157.4	177.2	-28.5	42.8	0	0	0	112.3	K147 Y149 S223	P145-K147 VanDerWaalsContact C-N 3.26Å; P145-K147 PolarHBondContact O-N 3.24Å; P145-Y149 HydrophobicContact CB-CD2 4.38Å; P145-Y149 HydrophobicContact CB-CE2 3.92Å; P145-S223 WeakPolarHBondContact CD-OG 3.39Å; P145-S223 VanDerWaalsContact CG-CB 3.43Å; P145-S223 VanDerWaalsContact CG-OG 3.23Å; P145-S223 WeakPolarHBondContact CG-OG 3.3Å
146	D	81.7	Confident	85.8	Confident	117 Å²	117	52 Å²	52	63%	0.626	28%	0.276	S	S	*	.	S	Bend	trans	-64.7	-29.7	-178.2	60.8	-50	0	0	0	113.2	Y149	D146-Y149 PolarHBondContact OD1-OH 2.98Å; D146-Y149 PolarHBondContact OD2-OH 3.12Å
147	K	86.2	Confident	85.4	Confident	85 Å²	85	54 Å²	54	37%	0.37	27%	0.271	S	S	.	.	S	Bend	trans	-152.3	160.4	-178.5	60.7	-160.1	169.8	-176	0	109.3	P145 Y149 P174	P145-K147 VanDerWaalsContact C-N 3.26Å; P145-K147 PolarHBondContact O-N 3.24Å; K147-Y149 HydrophobicContact CD-CE1 4.35Å; K147-Y149 WeakPolarHBondContact CE-OH 3.36Å; K147-Y149 HydrophobicContact CG-CE1 3.93Å; K147-Y149 HydrophobicContact CG-CE2 3.9Å; K147-Y149 WeakPolarHBondContact CG-OH 3.32Å; K147-Y149 WeakPolarHBondContact O-CD2 3.37Å; K147-Y149 WeakPolarHBondContact O-CE2 3.3Å; K147-P174 HydrophobicContact CD-CB 3.93Å
148	P	92.2	Very high	84.6	Confident	49 Å²	49	54.9 Å²	54.9	32%	0.318	28%	0.276	S	S	.	.			trans	-70.1	156.2	170.8	30.2	-35.1	0	0	0	111.1	G175 R176 S223	P148-G175 PolarHBondContact O-N 2.61Å; P148-R176 HydrophobicContact CB-CG 3.46Å; P148-R176 VanDerWaalsContact CB-CG 3.46Å; P148-R176 HydrophobicContact CG-CG 3.88Å; P148-S223 CarbonylContact C-O 3.55Å; P148-S223 WeakPolarHBondContact CA-O 3.33Å
149	Y	94.9	Very high	83.5	Confident	1 Å²	1	53 Å²	53	0%	0.004	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	140.7	179.2	-65.5	-81.6	0	0	0	112.1	Q139 F140 P145 D146 K147 I172 V173 P174 G175 L191 S223 G224 I225	Q139-Y149 HydrophobicContact CB-CE2 4.08Å; Q139-Y149 HydrophobicContact CG-CE1 4.25Å; Q139-Y149 HydrophobicContact CG-CE2 4.44Å; Q139-Y149 VanDerWaalsContact CG-OH 3.22Å; Q139-Y149 WeakPolarHBondContact CG-OH 3.31Å; F140-Y149 HydrophobicContact CZ-CD2 4.37Å; F140-Y149 HydrophobicContact CZ-CG 4.29Å; P145-Y149 HydrophobicContact CB-CD2 4.38Å; P145-Y149 HydrophobicContact CB-CE2 3.92Å; D146-Y149 PolarHBondContact OD1-OH 2.98Å; D146-Y149 PolarHBondContact OD2-OH 3.12Å; K147-Y149 HydrophobicContact CD-CE1 4.35Å; K147-Y149 WeakPolarHBondContact CE-OH 3.36Å; K147-Y149 HydrophobicContact CG-CE1 3.93Å; K147-Y149 HydrophobicContact CG-CE2 3.9Å; K147-Y149 WeakPolarHBondContact CG-OH 3.32Å; K147-Y149 WeakPolarHBondContact O-CD2 3.37Å; K147-Y149 WeakPolarHBondContact O-CE2 3.3Å; Y149-I172 HydrophobicContact CD1-CG2 3.77Å; Y149-I172 HydrophobicContact CG-CG2 4.15Å; Y149-V173 CarbonylContact C-O 3.55Å; Y149-V173 WeakPolarHBondContact CA-O 3.26Å; Y149-P174 HydrophobicContact CE1-CB 4.39Å; Y149-P174 HydrophobicContact CE1-CG 4.29Å; Y149-G175 CarbonylContact C-O 3.54Å; Y149-G175 WeakPolarHBondContact CA-O 3.33Å; Y149-L191 HydrophobicContact CE1-CD1 4.27Å; Y149-L191 HydrophobicContact CE1-CD2 3.95Å; Y149-L191 HydrophobicContact CE1-CG 4.41Å; Y149-S223 PolarHBondContact N-O 2.93Å; Y149-G224 CarbonylContact O-C 3.54Å; Y149-G224 WeakPolarHBondContact O-CA 3.42Å; Y149-I225 PolarHBondContact O-N 2.77Å
150	T	97	Very high	82.9	Confident	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.7	126.6	163.7	-72.4	0	0	0	0	108.4	F152 I172 V173 G175 F177 I225 H227	T150-F152 HydrophobicContact CG2-CE1 4.32Å; T150-F152 HydrophobicContact CG2-CE2 3.93Å; T150-F152 HydrophobicContact CG2-CZ 3.82Å; T150-I172 WeakPolarHBondContact O-CA 3.45Å; T150-V173 PolarHBondContact N-O 3.49Å; T150-V173 PolarHBondContact O-N 2.89Å; T150-G175 PolarHBondContact N-O 3.46Å; T150-G175 PolarHBondContact OG1-O 2.79Å; T150-F177 HydrophobicContact CG2-CB 4.47Å; T150-F177 PolarHBondContact OG1-N 3.15Å; T150-I225 CarbonylContact C-O 3.4Å; T150-I225 WeakPolarHBondContact CA-O 3.46Å; T150-H227 VanDerWaalsContact CG2-CD2 3.48Å; T150-H227 WeakPolarHBondContact CG2-CD2 3.42Å
151	I	96.3	Very high	82.3	Confident	0 Å²	0	60.1 Å²	60.1	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	119.1	-175.7	-60.6	160.5	0	0	0	108.2	C117 I121 F130 M134 F140 A153 I172 I225 I226 H227	C117-I151 HydrophobicContact CB-CD1 3.58Å; I121-I151 HydrophobicContact CD1-CD1 4.35Å; I121-I151 HydrophobicContact CD1-CG2 4.03Å; F130-I151 HydrophobicContact CD1-CG2 4.39Å; F130-I151 HydrophobicContact CE1-CG2 3.54Å; F130-I151 HydrophobicContact CZ-CG2 4.35Å; M134-I151 HydrophobicContact CE-CD1 3.74Å; M134-I151 HydrophobicContact CE-CG1 4.25Å; M134-I151 HydrophobicContact CE-CG2 4.35Å; M134-I151 HydrophobicContact SD-CG2 4.37Å; F140-I151 HydrophobicContact CE1-CD1 3.91Å; F140-I151 HydrophobicContact CZ-CD1 4.06Å; F140-I151 HydrophobicContact CZ-CG1 4.26Å; I151-A153 HydrophobicContact CG2-CB 4.43Å; I151-A153 PolarHBondContact O-N 3.02Å; I151-I172 HydrophobicContact CG1-CG1 4.4Å; I151-I172 HydrophobicContact CG1-CG2 4.41Å; I151-I172 HydrophobicContact CG2-CG1 4.47Å; I151-I225 PolarHBondContact N-O 3.16Å; I151-I226 HydrophobicContact CB-CG1 4.24Å; I151-I226 HydrophobicContact CD1-CG1 4.08Å; I151-I226 CarbonylContact O-C 3.39Å; I151-I226 WeakPolarHBondContact O-CA 3.35Å; I151-H227 PolarHBondContact O-N 3.18Å
152	F	96.3	Very high	82.1	Confident	0 Å²	0	54.9 Å²	54.9	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	89.7	170.7	-63.7	-74.6	0	0	0	108.9	T150 P154 H171 V173 L182 L188 L197 V209 H227 I229	T150-F152 HydrophobicContact CG2-CE1 4.32Å; T150-F152 HydrophobicContact CG2-CE2 3.93Å; T150-F152 HydrophobicContact CG2-CZ 3.82Å; F152-P154 WeakPolarHBondContact O-CD 3.28Å; F152-H171 PolarHBondContact N-O 3.37Å; F152-H171 WeakPolarHBondContact O-CB 3.39Å; F152-H171 PolarHBondContact O-CD2 2.89Å; F152-H171 VanDerWaalsContact O-CD2 3.24Å; F152-V173 HydrophobicContact CD2-CG2 4.43Å; F152-V173 HydrophobicContact CE2-CG2 3.97Å; F152-L182 HydrophobicContact CE1-CD1 4.24Å; F152-L182 HydrophobicContact CZ-CD2 4.36Å; F152-L188 HydrophobicContact CE2-CD1 3.92Å; F152-L188 HydrophobicContact CZ-CD1 3.88Å; F152-L197 HydrophobicContact CD2-CD1 3.77Å; F152-L197 HydrophobicContact CE2-CD1 3.9Å; F152-V209 HydrophobicContact CD1-CG2 4.14Å; F152-V209 HydrophobicContact CE1-CB 4.46Å; F152-V209 HydrophobicContact CE1-CG2 3.61Å; F152-V209 HydrophobicContact CE2-CG1 4.35Å; F152-V209 HydrophobicContact CZ-CG1 4.38Å; F152-V209 HydrophobicContact CZ-CG2 3.88Å; F152-H227 CarbonylContact C-O 3.5Å; F152-H227 VanDerWaalsContact CA-O 3.32Å; F152-H227 WeakPolarHBondContact CA-O 3.24Å; F152-H227 HydrophobicContact CD1-CB 3.79Å; F152-H227 HydrophobicContact CE1-CB 4.02Å; F152-H227 AromaticContact CE1-CD2 3.61Å; F152-I229 HydrophobicContact CB-CD1 4.08Å; F152-I229 HydrophobicContact CB-CG1 4.48Å; F152-I229 HydrophobicContact CB-CG2 4.01Å; F152-I229 HydrophobicContact CD1-CG2 3.9Å; F152-I229 HydrophobicContact CG-CG2 4.4Å
153	A	94.6	Very high	82	Confident	0 Å²	0	59.6 Å²	59.6	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	119.2	-176.7	0	0	0	0	0	110.7	I127 F130 I151 I226 H227 T228 I229	I127-A153 HydrophobicContact CB-CB 4.22Å; I127-A153 HydrophobicContact CD1-CB 3.96Å; I127-A153 HydrophobicContact CG2-CB 4.18Å; F130-A153 HydrophobicContact CD1-CB 4.01Å; F130-A153 HydrophobicContact CE1-CB 4.39Å; I151-A153 HydrophobicContact CG2-CB 4.43Å; I151-A153 PolarHBondContact O-N 3.02Å; A153-I226 HydrophobicContact CB-CG2 3.92Å; A153-H227 PolarHBondContact N-O 3.38Å; A153-T228 CarbonylContact O-C 3.45Å; A153-T228 VanDerWaalsContact O-CA 3.29Å; A153-T228 WeakPolarHBondContact O-CA 3.35Å; A153-I229 PolarHBondContact O-N 3.09Å
154	P	93.5	Very high	82	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.8	132.4	-179.4	29.2	-31.2	0	0	0	112.8	F130 F152 Y162 I229 P232	F130-P154 VanDerWaalsContact CD2-CD 3.4Å; F130-P154 HydrophobicContact CD2-CG 3.81Å; F130-P154 HydrophobicContact CE2-CG 4.25Å; F130-P154 HydrophobicContact CG-CG 4.38Å; F152-P154 WeakPolarHBondContact O-CD 3.28Å; P154-Y162 HydrophobicContact CG-CE2 4.02Å; P154-I229 WeakPolarHBondContact CA-O 3.42Å; P154-I229 HydrophobicContact CB-CD1 4.38Å; P154-I229 HydrophobicContact CB-CG1 4.07Å; P154-P232 HydrophobicContact CB-CB 4.18Å; P154-P232 HydrophobicContact CB-CG 3.82Å; P154-P232 HydrophobicContact CG-CB 4.35Å; P154-P232 HydrophobicContact CG-CG 4.11Å
155	S	90.6	Very high	82	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.249	C	C	.	.	P	Polyproline II helix	trans	-63.5	141	172.4	168.5	0	0	0	0	111.7	D126 R157 I229	D126-S155 CarbonylContact O-C 3.53Å; D126-S155 WeakPolarHBondContact O-CA 3.27Å; D126-S155 WeakPolarHBondContact OD1-CB 3.32Å; D126-S155 PolarHBondContact OD1-OG 3.24Å; S155-R157 PolarHBondContact OG-N 3.33Å; S155-I229 PolarHBondContact N-O 3.02Å
156	T	86.3	Confident	82	Confident	32 Å²	32	52.1 Å²	52.1	20%	0.196	26%	0.264	C	S	.	.	S	Bend	trans	-94.8	3.7	179.5	64.5	0	0	0	0	113.7	D126 P129 N158 A159 Y162	D126-T156 PolarHBondContact O-N 3.39Å; D126-T156 PolarHBondContact O-OG1 2.89Å; P129-T156 HydrophobicContact CB-CG2 4.12Å; P129-T156 HydrophobicContact CG-CG2 3.68Å; T156-N158 PolarHBondContact O-N 3.37Å; T156-N158 VanDerWaalsContact O-N 3.13Å; T156-A159 PolarHBondContact O-N 2.7Å; T156-Y162 HydrophobicContact CG2-CD2 3.66Å; T156-Y162 HydrophobicContact CG2-CE2 3.58Å; T156-Y162 HydrophobicContact CG2-CG 4.24Å
157	R	77	Confident	82.1	Confident	126 Å²	126	48.7 Å²	48.7	48%	0.475	25%	0.246	S	C	.	.	S	Bend	trans	-57.3	-25.2	176	-77.9	175.6	-159.2	-134.2	-2.1	113.4	H61 D126 S155	H61-R157 WeakPolarHBondContact CE1-CB 3.22Å; D126-R157 WeakPolarHBondContact OD1-CG 3.38Å; D126-R157 IonicContact OD1-NE 2.67Å; D126-R157 IonicContact OD2-CZ 2.85Å; D126-R157 IonicContact OD2-NE 3.55Å; D126-R157 PolarHBondContact OD2-NE 3Å; D126-R157 IonicContact OD2-NH2 2.7Å; D126-R157 PolarHBondContact OD2-NH2 2.91Å; S155-R157 PolarHBondContact OG-N 3.33Å
158	N	69.3	Low	82.2	Confident	40 Å²	40	44.8 Å²	44.8	21%	0.214	23%	0.229	C	C	.	.	S	Bend	trans	-107.7	79.9	169.3	-167.7	-18.5	0	0	0	110.5	T156 E160 K161 Y162 Y231	T156-N158 PolarHBondContact O-N 3.37Å; T156-N158 VanDerWaalsContact O-N 3.13Å; N158-E160 PolarHBondContact O-N 3.46Å; N158-E160 VanDerWaalsContact O-N 3.17Å; N158-K161 PolarHBondContact O-N 3.27Å; N158-Y162 PolarHBondContact O-N 2.86Å; N158-Y231 HydrophobicContact CB-CD1 3.65Å; N158-Y231 HydrophobicContact CB-CE1 3.41Å; N158-Y231 VanDerWaalsContact CB-CE1 3.41Å; N158-Y231 WeakPolarHBondContact ND2-CE1 3.46Å
159	A	64.1	Low	82.2	Confident	71 Å²	71	43 Å²	43	59%	0.587	22%	0.218	S	C	*	.	H	α-helix	trans	-57.2	-30.5	-174.6	0	0	0	0	0	113.6	T156 Y162 K163	T156-A159 PolarHBondContact O-N 2.7Å; A159-Y162 PolarHBondContact O-N 3.43Å; A159-K163 PolarHBondContact O-N 2.9Å
160	E	69.5	Low	82.1	Confident	158 Å²	158	43 Å²	43	74%	0.738	22%	0.218	S	C	*	.	H	α-helix	trans	-60.7	-47.8	178.4	-65.6	-178.1	172.6	0	0	111.4	N158 Y162 K163	N158-E160 PolarHBondContact O-N 3.46Å; N158-E160 VanDerWaalsContact O-N 3.17Å; E160-Y162 PolarHBondContact O-N 2.69Å; E160-K163 WeakPolarHBondContact O-CB 3.3Å; E160-K163 PolarHBondContact O-N 2.98Å
161	K	69.7	Low	82	Confident	66 Å²	66	43 Å²	43	29%	0.287	22%	0.218	S	C	.	.	H	α-helix	trans	-68.2	-22.5	178.2	-68.9	-170.2	176.7	-172.3	0	113	N158 Y231	N158-K161 PolarHBondContact O-N 3.27Å; K161-Y231 HydrophobicContact CD-CD1 3.79Å; K161-Y231 HydrophobicContact CD-CD2 4.03Å; K161-Y231 HydrophobicContact CD-CE1 4.41Å; K161-Y231 HydrophobicContact CD-CG 3.6Å
162	Y	74.1	Confident	81.9	Confident	26 Å²	26	43 Å²	43	10%	0.102	22%	0.218	C	C	.	.	H	α-helix	trans	-79.6	-25.8	179	-153.5	-84.2	0	0	0	112.9	P129 F130 P154 T156 N158 A159 E160 D164 F165 P232	P129-Y162 HydrophobicContact CB-CE1 3.74Å; P129-Y162 PolarHBondContact O-OH 3.42Å; F130-Y162 WeakPolarHBondContact CA-OH 3.4Å; F130-Y162 PolarHBondContact N-OH 2.93Å; P154-Y162 HydrophobicContact CG-CE2 4.02Å; T156-Y162 HydrophobicContact CG2-CD2 3.66Å; T156-Y162 HydrophobicContact CG2-CE2 3.58Å; T156-Y162 HydrophobicContact CG2-CG 4.24Å; N158-Y162 PolarHBondContact O-N 2.86Å; A159-Y162 PolarHBondContact O-N 3.43Å; E160-Y162 PolarHBondContact O-N 2.69Å; Y162-D164 VanDerWaalsContact C-N 3.29Å; Y162-D164 PolarHBondContact O-N 2.86Å; Y162-F165 HydrophobicContact CE1-CD1 4.18Å; Y162-F165 HydrophobicContact CE2-CD1 4.39Å; Y162-F165 AromaticContact CZ-CD1 3.92Å; Y162-F165 WeakPolarHBondContact O-CB 3.25Å; Y162-F165 PolarHBondContact O-N 3.42Å; Y162-F165 VanDerWaalsContact O-N 3.12Å; Y162-P232 HydrophobicContact CD2-CG 4.01Å
163	K	72.5	Confident	81.9	Confident	171 Å²	171	43.1 Å²	43.1	74%	0.743	22%	0.219	S	C	*	.	H	α-helix	trans	-59	-38.5	-173.5	-169.9	179.6	178.1	-176.3	0	113.1	A159 E160	A159-K163 PolarHBondContact O-N 2.9Å; E160-K163 WeakPolarHBondContact O-CB 3.3Å; E160-K163 PolarHBondContact O-N 2.98Å
164	D	69.7	Low	81.9	Confident	72 Å²	72	45 Å²	45	39%	0.385	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.8	2.5	-177.9	-67.4	-49.8	0	0	0	114	Y162 T166 N235	Y162-D164 VanDerWaalsContact C-N 3.29Å; Y162-D164 PolarHBondContact O-N 2.86Å; D164-T166 PolarHBondContact O-N 2.71Å; D164-N235 WeakPolarHBondContact CB-O 3.47Å
165	F	74.7	Confident	82	Confident	1 Å²	1	46 Å²	46	0%	0.004	24%	0.242	C	C	.	.			trans	-69.3	120.2	-179.9	177.1	-114.6	0	0	0	112.5	F130 K133 Y162 N167 H171 P232 T234	F130-F165 AromaticContact CD2-CE1 3.6Å; F130-F165 HydrophobicContact CD2-CE1 3.6Å; F130-F165 AromaticContact CD2-CZ 3.82Å; F130-F165 HydrophobicContact CD2-CZ 3.82Å; F130-F165 AromaticContact CE2-CE1 3.84Å; F130-F165 HydrophobicContact CE2-CE1 3.84Å; F130-F165 AromaticContact CE2-CZ 3.55Å; F130-F165 HydrophobicContact CE2-CZ 3.55Å; K133-F165 HydrophobicContact CB-CE1 3.85Å; K133-F165 HydrophobicContact CD-CD1 4.29Å; K133-F165 HydrophobicContact CD-CE1 4.27Å; K133-F165 HydrophobicContact CG-CD1 4.04Å; K133-F165 HydrophobicContact CG-CE1 3.73Å; K133-F165 PolarHBondContact NZ-O 2.8Å; Y162-F165 HydrophobicContact CE1-CD1 4.18Å; Y162-F165 HydrophobicContact CE2-CD1 4.39Å; Y162-F165 AromaticContact CZ-CD1 3.92Å; Y162-F165 WeakPolarHBondContact O-CB 3.25Å; Y162-F165 PolarHBondContact O-N 3.42Å; Y162-F165 VanDerWaalsContact O-N 3.12Å; F165-N167 VanDerWaalsContact CE2-O 3.31Å; F165-N167 WeakPolarHBondContact CE2-O 3.39Å; F165-H171 AromaticContact CE2-CE1 3.33Å; F165-H171 WeakPolarHBondContact CE2-CE1 3.44Å; F165-H171 AromaticContact CE2-ND1 3.69Å; F165-H171 AromaticContact CE2-NE2 3.91Å; F165-P232 HydrophobicContact CB-CB 4.28Å; F165-P232 HydrophobicContact CB-CG 4.16Å; F165-P232 HydrophobicContact CD2-CB 3.71Å; F165-P232 HydrophobicContact CD2-CG 4.34Å; F165-P232 HydrophobicContact CE2-CB 4.43Å; F165-P232 HydrophobicContact CG-CB 4.12Å; F165-P232 HydrophobicContact CG-CG 4.25Å; F165-T234 HydrophobicContact CD2-CG2 4.06Å; F165-T234 HydrophobicContact CE2-CG2 4.28Å
166	T	71.2	Confident	82.1	Confident	80 Å²	80	50.3 Å²	50.3	49%	0.491	26%	0.258	S	S	.	.			trans	-127.1	-33.2	-174.6	49.5	0	0	0	0	114.3	D164	D164-T166 PolarHBondContact O-N 2.71Å
167	N	83.5	Confident	82.7	Confident	45 Å²	45	51.3 Å²	51.3	24%	0.241	26%	0.259	C	S	.	.			trans	-106.1	95.4	-169.5	-171.9	9.9	0	0	0	112.9	F165 A169 H171 D192	F165-N167 VanDerWaalsContact CE2-O 3.31Å; F165-N167 WeakPolarHBondContact CE2-O 3.39Å; N167-A169 VanDerWaalsContact C-N 3.33Å; N167-A169 WeakPolarHBondContact OD1-CB 3.14Å; N167-A169 PolarHBondContact OD1-N 2.87Å; N167-A169 VanDerWaalsContact OD1-N 3.15Å; N167-H171 PolarHBondContact O-ND1 2.63Å; N167-D192 PolarHBondContact ND2-OD2 2.97Å
168	S	89.3	Confident	83.5	Confident	3 Å²	3	48.1 Å²	48.1	2%	0.021	25%	0.248	C	C	.	.	S	Bend	trans	-71	-24.4	173.6	50.8	0	0	0	0	113.7	K133 E170 H171 I172	K133-S168 PolarHBondContact O-OG 3.38Å; S168-E170 VanDerWaalsContact C-N 3.34Å; S168-E170 PolarHBondContact O-N 3.34Å; S168-H171 PolarHBondContact O-N 3.23Å; S168-H171 VanDerWaalsContact O-N 3.15Å; S168-I172 WeakPolarHBondContact O-CG1 3.25Å
169	A	92.3	Very high	84.8	Confident	12 Å²	12	46.9 Å²	46.9	10%	0.099	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-65.7	-33.8	-176.5	0	0	0	0	0	113.1	L137 N167 H171 I172 L191 D192	L137-A169 HydrophobicContact CD2-CB 4Å; N167-A169 VanDerWaalsContact C-N 3.33Å; N167-A169 WeakPolarHBondContact OD1-CB 3.14Å; N167-A169 PolarHBondContact OD1-N 2.87Å; N167-A169 VanDerWaalsContact OD1-N 3.15Å; A169-H171 PolarHBondContact O-N 3.12Å; A169-I172 PolarHBondContact O-N 3.46Å; A169-L191 HydrophobicContact CB-CB 3.95Å; A169-L191 WeakPolarHBondContact O-CB 3.48Å; A169-L191 PolarHBondContact O-N 3.19Å; A169-D192 HydrophobicContact CB-CB 4.14Å; A169-D192 PolarHBondContact O-N 3.24Å
170	E	92.1	Very high	86.2	Confident	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-64.7	-24.1	176.4	179.5	175	-155.8	0	0	112.8	S168 I172 T190 D192 R195 L197 L233 R241	S168-E170 VanDerWaalsContact C-N 3.34Å; S168-E170 PolarHBondContact O-N 3.34Å; E170-I172 VanDerWaalsContact C-N 3.29Å; E170-I172 PolarHBondContact O-N 2.81Å; E170-T190 WeakPolarHBondContact O-CG2 3.3Å; E170-D192 HydrophobicContact CB-CB 4.3Å; E170-R195 HydrophobicContact CG-CB 4.02Å; E170-R195 HydrophobicContact CG-CG 4.26Å; E170-R195 IonicContact OE1-CZ 2.78Å; E170-R195 IonicContact OE1-NE 2.98Å; E170-R195 PolarHBondContact OE1-NE 2.74Å; E170-R195 IonicContact OE1-NH2 2.7Å; E170-R195 PolarHBondContact OE1-NH2 2.69Å; E170-L197 HydrophobicContact CG-CD2 4.07Å; E170-L233 HydrophobicContact CG-CD1 4.44Å; E170-R241 VanDerWaalsContact CD-NH2 3.3Å; E170-R241 IonicContact OE1-CZ 3.13Å; E170-R241 IonicContact OE1-NH1 3.54Å; E170-R241 PolarHBondContact OE1-NH1 3.42Å; E170-R241 IonicContact OE1-NH2 3.16Å; E170-R241 PolarHBondContact OE1-NH2 3.04Å; E170-R241 VanDerWaalsContact OE1-NH2 3.11Å; E170-R241 IonicContact OE2-CZ 3.83Å; E170-R241 IonicContact OE2-NH1 3.97Å; E170-R241 IonicContact OE2-NH2 2.85Å; E170-R241 PolarHBondContact OE2-NH2 2.76Å
171	H	94.5	Very high	87.5	Confident	0 Å²	0	45.6 Å²	45.6	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-88.2	1.4	-176.5	-69.2	65.6	0	0	0	112.8	F130 F152 F165 N167 S168 A169 L233	F130-H171 HydrophobicContact CE2-CB 3.96Å; F130-H171 HydrophobicContact CZ-CB 3.61Å; F152-H171 PolarHBondContact N-O 3.37Å; F152-H171 WeakPolarHBondContact O-CB 3.39Å; F152-H171 PolarHBondContact O-CD2 2.89Å; F152-H171 VanDerWaalsContact O-CD2 3.24Å; F165-H171 AromaticContact CE2-CE1 3.33Å; F165-H171 WeakPolarHBondContact CE2-CE1 3.44Å; F165-H171 AromaticContact CE2-ND1 3.69Å; F165-H171 AromaticContact CE2-NE2 3.91Å; N167-H171 PolarHBondContact O-ND1 2.63Å; S168-H171 PolarHBondContact O-N 3.23Å; S168-H171 VanDerWaalsContact O-N 3.15Å; A169-H171 PolarHBondContact O-N 3.12Å; H171-L233 PolarHBondContact CE1-N 2.93Å; H171-L233 PolarHBondContact NE2-N 2.8Å
172	I	95	Very high	88.8	Confident	0 Å²	0	42.5 Å²	42.5	0%	0	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	125	-170.1	-55.9	177.7	0	0	0	109.2	M134 L137 F140 Y149 T150 I151 S168 A169 E170 T190 L191	M134-I172 HydrophobicContact CE-CD1 3.88Å; M134-I172 HydrophobicContact CG-CD1 4.13Å; L137-I172 HydrophobicContact CD1-CD1 3.41Å; L137-I172 VanDerWaalsContact CD1-CD1 3.41Å; F140-I172 HydrophobicContact CD2-CD1 4.36Å; F140-I172 HydrophobicContact CE2-CD1 3.41Å; F140-I172 VanDerWaalsContact CE2-CD1 3.41Å; F140-I172 HydrophobicContact CE2-CG2 4.07Å; F140-I172 HydrophobicContact CZ-CD1 3.87Å; F140-I172 HydrophobicContact CZ-CG2 3.91Å; Y149-I172 HydrophobicContact CD1-CG2 3.77Å; Y149-I172 HydrophobicContact CG-CG2 4.15Å; T150-I172 WeakPolarHBondContact O-CA 3.45Å; I151-I172 HydrophobicContact CG1-CG1 4.4Å; I151-I172 HydrophobicContact CG1-CG2 4.41Å; I151-I172 HydrophobicContact CG2-CG1 4.47Å; S168-I172 WeakPolarHBondContact O-CG1 3.25Å; A169-I172 PolarHBondContact O-N 3.46Å; E170-I172 VanDerWaalsContact C-N 3.29Å; E170-I172 PolarHBondContact O-N 2.81Å; I172-T190 CarbonylContact O-C 3.6Å; I172-T190 VanDerWaalsContact O-CA 3.25Å; I172-T190 WeakPolarHBondContact O-CA 3.39Å; I172-L191 HydrophobicContact CB-CD1 3.88Å; I172-L191 HydrophobicContact CB-CG 4.16Å; I172-L191 HydrophobicContact CD1-CD1 4.49Å; I172-L191 HydrophobicContact CG2-CD1 3.58Å; I172-L191 HydrophobicContact CG2-CG 4.02Å; I172-L191 PolarHBondContact O-N 3.04Å
173	V	96	Very high	89.8	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.012	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	128.5	-174.1	172.7	0	0	0	0	108.8	Y149 T150 F152 G175 F177 L188 N189 T190 L197	Y149-V173 CarbonylContact C-O 3.55Å; Y149-V173 WeakPolarHBondContact CA-O 3.26Å; T150-V173 PolarHBondContact N-O 3.49Å; T150-V173 PolarHBondContact O-N 2.89Å; F152-V173 HydrophobicContact CD2-CG2 4.43Å; F152-V173 HydrophobicContact CE2-CG2 3.97Å; V173-G175 PolarHBondContact O-N 3.01Å; V173-F177 HydrophobicContact CG1-CD2 4.06Å; V173-F177 HydrophobicContact CG1-CE2 3.69Å; V173-L188 HydrophobicContact CG1-CB 3.87Å; V173-L188 HydrophobicContact CG1-CD1 4.48Å; V173-L188 HydrophobicContact CG1-CD2 4.15Å; V173-L188 HydrophobicContact CG1-CG 4.39Å; V173-L188 HydrophobicContact CG2-CB 3.84Å; V173-L188 HydrophobicContact CG2-CD1 4.31Å; V173-N189 WeakPolarHBondContact CG1-O 3.27Å; V173-T190 HydrophobicContact CG2-CG2 4.26Å; V173-L197 HydrophobicContact CG2-CD1 4.06Å
174	P	94.9	Very high	90.8	Very high	40 Å²	40	43.4 Å²	43.4	26%	0.26	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	130	170.7	-22.3	35.5	0	0	0	112	K147 Y149 N189 L191	K147-P174 HydrophobicContact CD-CB 3.93Å; Y149-P174 HydrophobicContact CE1-CB 4.39Å; Y149-P174 HydrophobicContact CE1-CG 4.29Å; P174-N189 WeakPolarHBondContact CD-O 3.32Å; P174-L191 HydrophobicContact CG-CD2 4.17Å
175	G	95	Very high	92	Very high	21 Å²	21	41.8 Å²	41.8	22%	0.216	22%	0.22	C	C	.	.	S	Bend	trans	118.8	169	-178.1	0	0	0	0	0	113	P148 Y149 T150 V173	P148-G175 PolarHBondContact O-N 2.61Å; Y149-G175 CarbonylContact C-O 3.54Å; Y149-G175 WeakPolarHBondContact CA-O 3.33Å; T150-G175 PolarHBondContact N-O 3.46Å; T150-G175 PolarHBondContact OG1-O 2.79Å; V173-G175 PolarHBondContact O-N 3.01Å
176	R	94.3	Very high	93	Very high	91 Å²	91	44.1 Å²	44.1	34%	0.343	23%	0.233	S	C	.	.			trans	-104	113.6	167.2	-69.4	-168.3	177.4	-111.7	-3.4	108.4	P148 N222 G224 I225	P148-R176 HydrophobicContact CB-CG 3.46Å; P148-R176 VanDerWaalsContact CB-CG 3.46Å; P148-R176 HydrophobicContact CG-CG 3.88Å; R176-N222 PolarHBondContact NH2-O 3.02Å; R176-G224 PolarHBondContact NH1-O 3.23Å; R176-I225 HydrophobicContact CB-CD1 3.76Å; R176-I225 HydrophobicContact CB-CG1 4.47Å; R176-I225 HydrophobicContact CG-CD1 4.22Å; R176-I225 HydrophobicContact CG-CG1 4.44Å
177	F	97	Very high	94.1	Very high	52 Å²	52	44.8 Å²	44.8	23%	0.228	23%	0.23	C	C	.	.			trans	-118.3	112	172.2	-61.2	-83.6	0	0	0	108.9	T150 V173 D181 L182 L186 L188 H227	T150-F177 HydrophobicContact CG2-CB 4.47Å; T150-F177 PolarHBondContact OG1-N 3.15Å; V173-F177 HydrophobicContact CG1-CD2 4.06Å; V173-F177 HydrophobicContact CG1-CE2 3.69Å; F177-D181 HydrophobicContact CB-CB 4.5Å; F177-D181 HydrophobicContact CD1-CB 4.38Å; F177-L182 HydrophobicContact CB-CD2 4.02Å; F177-L186 HydrophobicContact CD1-CD2 4.3Å; F177-L188 HydrophobicContact CD1-CD2 4.14Å; F177-L188 HydrophobicContact CD2-CD2 4.09Å; F177-L188 HydrophobicContact CE1-CD2 3.91Å; F177-L188 HydrophobicContact CE2-CD2 3.86Å; F177-L188 HydrophobicContact CG-CD2 4.22Å; F177-L188 HydrophobicContact CZ-CD2 3.76Å; F177-H227 PolarHBondContact O-NE2 3.11Å
178	Y	95.7	Very high	94.7	Very high	60 Å²	60	42.8 Å²	42.8	24%	0.235	22%	0.22	C	C	.	.			trans	-80.2	165.3	171.2	-67.9	-91.9	0	0	0	110.4	K180 D181 L182 D218 E220 I225	Y178-K180 PolarHBondContact O-N 3.35Å; Y178-K180 VanDerWaalsContact O-N 3.11Å; Y178-D181 WeakPolarHBondContact CB-OD2 3.47Å; Y178-D181 PolarHBondContact N-OD2 2.89Å; Y178-D181 WeakPolarHBondContact O-CA 3.26Å; Y178-D181 WeakPolarHBondContact O-CB 3.5Å; Y178-D181 PolarHBondContact O-N 2.9Å; Y178-L182 PolarHBondContact O-N 3.4Å; Y178-D218 WeakPolarHBondContact CA-OD1 3.36Å; Y178-D218 WeakPolarHBondContact CB-OD1 3.48Å; Y178-D218 HydrophobicContact CD1-CB 4.28Å; Y178-D218 WeakPolarHBondContact CD1-OD1 3.38Å; Y178-E220 HydrophobicContact CE1-CG 4.4Å; Y178-E220 VanDerWaalsContact CE1-OE1 3.27Å; Y178-E220 WeakPolarHBondContact CE1-OE1 3.47Å; Y178-E220 PolarHBondContact OH-OE1 2.83Å; Y178-I225 HydrophobicContact CD1-CD1 3.79Å; Y178-I225 HydrophobicContact CD2-CD1 3.67Å; Y178-I225 HydrophobicContact CE1-CD1 3.66Å; Y178-I225 HydrophobicContact CE1-CG1 4.42Å; Y178-I225 HydrophobicContact CE2-CD1 3.53Å; Y178-I225 HydrophobicContact CG-CD1 3.8Å
179	L	95.3	Very high	94.9	Very high	14 Å²	14	47.4 Å²	47.4	7%	0.073	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	-53.1	-35.9	177.4	-177.1	61.4	0	0	0	112.2	I64 D181 L182 V207 L214 A217 D218	I64-L179 HydrophobicContact CD1-CD2 4.27Å; I64-L179 HydrophobicContact CG1-CD2 4.47Å; L179-D181 VanDerWaalsContact C-N 3.27Å; L179-D181 PolarHBondContact O-N 2.97Å; L179-L182 PolarHBondContact O-N 2.87Å; L179-V207 HydrophobicContact CD1-CB 4.07Å; L179-V207 HydrophobicContact CD1-CG2 3.71Å; L179-L214 HydrophobicContact CD1-CD2 3.93Å; L179-A217 HydrophobicContact CB-CB 4.01Å; L179-A217 HydrophobicContact CD1-CB 4.09Å; L179-A217 HydrophobicContact CD2-CB 4.01Å; L179-A217 HydrophobicContact CG-CB 4.26Å; L179-D218 VanDerWaalsContact CB-OD2 3.3Å; L179-D218 WeakPolarHBondContact CB-OD2 3.36Å; L179-D218 PolarHBondContact N-OD1 3.16Å; L179-D218 PolarHBondContact N-OD2 2.84Å
180	K	94	Very high	95	Very high	143 Å²	143	47.4 Å²	47.4	62%	0.622	24%	0.243	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-26.9	175.4	69.5	-177.2	-179.2	-174.6	0	113.8	Y178	Y178-K180 PolarHBondContact O-N 3.35Å; Y178-K180 VanDerWaalsContact O-N 3.11Å
181	D	96.2	Very high	95.1	Very high	59 Å²	59	49 Å²	49	32%	0.316	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-22.6	-179.2	-53.8	-41.6	0	0	0	111.3	F177 Y178 L179 K183 L186	F177-D181 HydrophobicContact CB-CB 4.5Å; F177-D181 HydrophobicContact CD1-CB 4.38Å; Y178-D181 WeakPolarHBondContact CB-OD2 3.47Å; Y178-D181 PolarHBondContact N-OD2 2.89Å; Y178-D181 WeakPolarHBondContact O-CA 3.26Å; Y178-D181 WeakPolarHBondContact O-CB 3.5Å; Y178-D181 PolarHBondContact O-N 2.9Å; L179-D181 VanDerWaalsContact C-N 3.27Å; L179-D181 PolarHBondContact O-N 2.97Å; D181-K183 VanDerWaalsContact C-N 3.29Å; D181-K183 PolarHBondContact O-N 2.96Å; D181-L186 WeakPolarHBondContact O-CD2 3.28Å
182	L	96.6	Very high	94.9	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.257	C	S	.	.			trans	-73.6	77.4	176.7	-60.1	-177.3	0	0	0	111.3	F152 F177 Y178 L179 L186 L188 V199 V207 L214	F152-L182 HydrophobicContact CE1-CD1 4.24Å; F152-L182 HydrophobicContact CZ-CD2 4.36Å; F177-L182 HydrophobicContact CB-CD2 4.02Å; Y178-L182 PolarHBondContact O-N 3.4Å; L179-L182 PolarHBondContact O-N 2.87Å; L182-L186 HydrophobicContact CD2-CD2 4.31Å; L182-L188 HydrophobicContact CD2-CD1 4.16Å; L182-V199 HydrophobicContact CB-CG1 3.85Å; L182-V199 HydrophobicContact CD2-CG2 4.12Å; L182-V207 HydrophobicContact CB-CG1 3.9Å; L182-V207 HydrophobicContact CD1-CG1 4.17Å; L182-L214 HydrophobicContact CD1-CD2 3.91Å
183	K	95	Very high	94.5	Very high	139 Å²	139	56.3 Å²	56.3	60%	0.604	30%	0.297	S	S	*	.			trans	-91.8	150	177.2	-62.1	178.6	-177.5	177.6	0	111.3	D181 G185 L186 V199	D181-K183 VanDerWaalsContact C-N 3.29Å; D181-K183 PolarHBondContact O-N 2.96Å; K183-G185 PolarHBondContact O-N 2.71Å; K183-L186 VanDerWaalsContact O-CB 3.22Å; K183-L186 WeakPolarHBondContact O-CB 3.38Å; K183-L186 PolarHBondContact O-N 2.74Å; K183-L186 VanDerWaalsContact O-N 3.12Å; K183-V199 WeakPolarHBondContact O-CG1 3.44Å
184	T	94.6	Very high	94	Very high	78 Å²	78	64.2 Å²	64.2	48%	0.479	33%	0.331	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.6	133.1	172.8	-54.2	0	0	0	0	111	V199 T200 R201	T184-V199 WeakPolarHBondContact CA-O 3.12Å; T184-T200 HydrophobicContact CG2-CG2 4.39Å; T184-R201 WeakPolarHBondContact OG1-CA 3.5Å; T184-R201 WeakPolarHBondContact OG1-CB 3.08Å; T184-R201 PolarHBondContact OG1-N 2.94Å; T184-R201 PolarHBondContact OG1-O 3.12Å
185	G	94.2	Very high	93.6	Very high	37 Å²	37	62.9 Å²	62.9	38%	0.381	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	92.8	-12.1	-179.8	0	0	0	0	0	114.4	K183 Q187 Y198 V199	K183-G185 PolarHBondContact O-N 2.71Å; G185-Q187 PolarHBondContact O-N 3.04Å; G185-Y198 WeakPolarHBondContact CA-OH 3.48Å; G185-V199 PolarHBondContact N-O 3.19Å
186	L	95.7	Very high	93.5	Very high	50 Å²	50	66.3 Å²	66.3	26%	0.262	33%	0.33	S	S	.	.			trans	-64.8	127.6	178.9	179.1	63.1	0	0	0	110.4	F177 D181 L182 K183 L188 V199	F177-L186 HydrophobicContact CD1-CD2 4.3Å; D181-L186 WeakPolarHBondContact O-CD2 3.28Å; L182-L186 HydrophobicContact CD2-CD2 4.31Å; K183-L186 VanDerWaalsContact O-CB 3.22Å; K183-L186 WeakPolarHBondContact O-CB 3.38Å; K183-L186 PolarHBondContact O-N 2.74Å; K183-L186 VanDerWaalsContact O-N 3.12Å; L186-L188 HydrophobicContact CD1-CD2 4.25Å; L186-L188 HydrophobicContact CD2-CD2 3.73Å; L186-L188 HydrophobicContact CD2-CG 4.33Å; L186-L188 HydrophobicContact CG-CD2 3.79Å; L186-L188 HydrophobicContact CG-CG 4.19Å; L186-V199 HydrophobicContact CB-CB 4.04Å; L186-V199 HydrophobicContact CB-CG2 4.04Å; L186-V199 HydrophobicContact CD2-CG2 4.28Å; L186-V199 HydrophobicContact CG-CG2 4.3Å; L186-V199 PolarHBondContact O-N 3.39Å
187	Q	94.2	Very high	93.5	Very high	95 Å²	95	62 Å²	62	44%	0.444	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	125.5	173.1	-66.3	-173.5	-1.2	0	0	110.1	G185 L197 Y198	G185-Q187 PolarHBondContact O-N 3.04Å; Q187-L197 CarbonylContact C-O 3.41Å; Q187-L197 WeakPolarHBondContact CA-O 3.27Å; Q187-Y198 HydrophobicContact CG-CD2 4.23Å
188	L	95.8	Very high	93.4	Very high	3 Å²	3	61.3 Å²	61.3	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.7	-177	-61.7	177	0	0	0	110.3	F152 V173 F177 L182 L186 K196 L197 V199	F152-L188 HydrophobicContact CE2-CD1 3.92Å; F152-L188 HydrophobicContact CZ-CD1 3.88Å; V173-L188 HydrophobicContact CG1-CB 3.87Å; V173-L188 HydrophobicContact CG1-CD1 4.48Å; V173-L188 HydrophobicContact CG1-CD2 4.15Å; V173-L188 HydrophobicContact CG1-CG 4.39Å; V173-L188 HydrophobicContact CG2-CB 3.84Å; V173-L188 HydrophobicContact CG2-CD1 4.31Å; F177-L188 HydrophobicContact CD1-CD2 4.14Å; F177-L188 HydrophobicContact CD2-CD2 4.09Å; F177-L188 HydrophobicContact CE1-CD2 3.91Å; F177-L188 HydrophobicContact CE2-CD2 3.86Å; F177-L188 HydrophobicContact CG-CD2 4.22Å; F177-L188 HydrophobicContact CZ-CD2 3.76Å; L182-L188 HydrophobicContact CD2-CD1 4.16Å; L186-L188 HydrophobicContact CD1-CD2 4.25Å; L186-L188 HydrophobicContact CD2-CD2 3.73Å; L186-L188 HydrophobicContact CD2-CG 4.33Å; L186-L188 HydrophobicContact CG-CD2 3.79Å; L186-L188 HydrophobicContact CG-CG 4.19Å; L188-K196 CarbonylContact O-C 3.58Å; L188-K196 VanDerWaalsContact O-CA 3.23Å; L188-K196 WeakPolarHBondContact O-CA 3.47Å; L188-L197 HydrophobicContact CB-CB 4.29Å; L188-L197 PolarHBondContact N-O 2.76Å; L188-L197 PolarHBondContact O-N 3.37Å; L188-V199 HydrophobicContact CD1-CG2 3.93Å; L188-V199 HydrophobicContact CG-CG2 4.3Å
189	N	95	Very high	93.5	Very high	99 Å²	99	58.4 Å²	58.4	53%	0.529	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75	127.7	173	-63.8	-43.4	0	0	0	109.4	V173 P174 K196	V173-N189 WeakPolarHBondContact CG1-O 3.27Å; P174-N189 WeakPolarHBondContact CD-O 3.32Å; N189-K196 WeakPolarHBondContact OD1-CD 3.37Å; N189-K196 WeakPolarHBondContact OD1-CE 3.45Å
190	T	94.2	Very high	93.5	Very high	13 Å²	13	58.1 Å²	58.1	8%	0.08	30%	0.298	C	S	.	.			trans	-93.4	173.8	179.7	75.7	0	0	0	0	111.4	E170 I172 V173 D192 R195 L197	E170-T190 WeakPolarHBondContact O-CG2 3.3Å; I172-T190 CarbonylContact O-C 3.6Å; I172-T190 VanDerWaalsContact O-CA 3.25Å; I172-T190 WeakPolarHBondContact O-CA 3.39Å; V173-T190 HydrophobicContact CG2-CG2 4.26Å; T190-D192 PolarHBondContact O-N 3.22Å; T190-D192 WeakPolarHBondContact OG1-CA 3.25Å; T190-D192 WeakPolarHBondContact OG1-CB 3.42Å; T190-D192 PolarHBondContact OG1-N 2.76Å; T190-D192 PolarHBondContact OG1-O 3.33Å; T190-R195 WeakPolarHBondContact CG2-O 3.37Å; T190-R195 PolarHBondContact N-O 3.17Å; T190-R195 PolarHBondContact OG1-O 3.28Å; T190-L197 HydrophobicContact CG2-CD1 3.9Å; T190-L197 HydrophobicContact CG2-CD2 3.87Å; T190-L197 HydrophobicContact CG2-CG 3.46Å; T190-L197 VanDerWaalsContact CG2-CG 3.46Å
191	L	93.1	Very high	93.5	Very high	32 Å²	32	54.5 Å²	54.5	17%	0.168	28%	0.28	C	S	.	.	S	Bend	trans	-69.2	-16.3	167.7	-70	-176.6	0	0	0	112.6	L137 Q139 Y149 A169 I172 P174 P193	L137-L191 HydrophobicContact CD1-CD1 4.41Å; Q139-L191 HydrophobicContact CB-CD1 4.41Å; Q139-L191 HydrophobicContact CG-CD1 3.9Å; Q139-L191 HydrophobicContact CG-CD2 4.33Å; Y149-L191 HydrophobicContact CE1-CD1 4.27Å; Y149-L191 HydrophobicContact CE1-CD2 3.95Å; Y149-L191 HydrophobicContact CE1-CG 4.41Å; A169-L191 HydrophobicContact CB-CB 3.95Å; A169-L191 WeakPolarHBondContact O-CB 3.48Å; A169-L191 PolarHBondContact O-N 3.19Å; I172-L191 HydrophobicContact CB-CD1 3.88Å; I172-L191 HydrophobicContact CB-CG 4.16Å; I172-L191 HydrophobicContact CD1-CD1 4.49Å; I172-L191 HydrophobicContact CG2-CD1 3.58Å; I172-L191 HydrophobicContact CG2-CG 4.02Å; I172-L191 PolarHBondContact O-N 3.04Å; P174-L191 HydrophobicContact CG-CD2 4.17Å; L191-P193 WeakPolarHBondContact O-CD 3.32Å
192	D	90.4	Very high	93.3	Very high	26 Å²	26	54.1 Å²	54.1	14%	0.139	28%	0.276	C	S	.	.	S	Bend	trans	-83.5	109.7	164.9	-175.8	-13.4	0	0	0	109.6	N167 A169 E170 T190 K194 R195	N167-D192 PolarHBondContact ND2-OD2 2.97Å; A169-D192 HydrophobicContact CB-CB 4.14Å; A169-D192 PolarHBondContact O-N 3.24Å; E170-D192 HydrophobicContact CB-CB 4.3Å; T190-D192 PolarHBondContact O-N 3.22Å; T190-D192 WeakPolarHBondContact OG1-CA 3.25Å; T190-D192 WeakPolarHBondContact OG1-CB 3.42Å; T190-D192 PolarHBondContact OG1-N 2.76Å; T190-D192 PolarHBondContact OG1-O 3.33Å; D192-K194 PolarHBondContact O-N 2.94Å; D192-K194 WeakPolarHBondContact OD1-CB 3.46Å; D192-K194 PolarHBondContact OD1-N 2.82Å; D192-R195 HydrophobicContact CB-CB 4.23Å; D192-R195 HydrophobicContact CB-CG 4.37Å; D192-R195 PolarHBondContact O-N 3.38Å; D192-R195 VanDerWaalsContact O-O 3.11Å
193	P	87.6	Confident	93	Very high	128 Å²	128	63.4 Å²	63.4	83%	0.831	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.8	-176.5	27.9	-35.9	0	0	0	113.5	L191 R195	L191-P193 WeakPolarHBondContact O-CD 3.32Å; P193-R195 VanDerWaalsContact C-N 3.32Å
194	K	84.2	Confident	92.7	Very high	169 Å²	169	58 Å²	58	74%	0.735	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-9.8	177.5	-59	-179.4	-179.2	-179.3	0	112.8	D192	D192-K194 PolarHBondContact O-N 2.94Å; D192-K194 WeakPolarHBondContact OD1-CB 3.46Å; D192-K194 PolarHBondContact OD1-N 2.82Å
195	R	88	Confident	92.5	Very high	12 Å²	12	54.4 Å²	54.4	5%	0.045	28%	0.275	C	S	.	.			trans	-128.8	130.7	-168.7	-60.6	-63.4	-65.4	134.6	12.5	111.7	E170 T190 D192 P193 D210 R241 T367	E170-R195 HydrophobicContact CG-CB 4.02Å; E170-R195 HydrophobicContact CG-CG 4.26Å; E170-R195 IonicContact OE1-CZ 2.78Å; E170-R195 IonicContact OE1-NE 2.98Å; E170-R195 PolarHBondContact OE1-NE 2.74Å; E170-R195 IonicContact OE1-NH2 2.7Å; E170-R195 PolarHBondContact OE1-NH2 2.69Å; T190-R195 WeakPolarHBondContact CG2-O 3.37Å; T190-R195 PolarHBondContact N-O 3.17Å; T190-R195 PolarHBondContact OG1-O 3.28Å; D192-R195 HydrophobicContact CB-CB 4.23Å; D192-R195 HydrophobicContact CB-CG 4.37Å; D192-R195 PolarHBondContact O-N 3.38Å; D192-R195 VanDerWaalsContact O-O 3.11Å; P193-R195 VanDerWaalsContact C-N 3.32Å; R195-D210 IonicContact NH2-OD2 2.72Å; R195-D210 PolarHBondContact NH2-OD2 3.23Å; R195-R241 PolarHBondContact NH1-O 2.97Å; R195-T367 PolarHBondContact NH1-OG1 3.26Å
196	K	91.5	Very high	92.5	Very high	93 Å²	93	52.8 Å²	52.8	40%	0.404	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.9	167.2	-61.8	-173.8	-177	-175.6	0	107.6	L188 N189	L188-K196 CarbonylContact O-C 3.58Å; L188-K196 VanDerWaalsContact O-CA 3.23Å; L188-K196 WeakPolarHBondContact O-CA 3.47Å; N189-K196 WeakPolarHBondContact OD1-CD 3.37Å; N189-K196 WeakPolarHBondContact OD1-CE 3.45Å
197	L	94.4	Very high	92.5	Very high	1 Å²	1	50.5 Å²	50.5	1%	0.005	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	144.9	176.5	-48.7	177.9	0	0	0	110	F152 E170 V173 Q187 L188 T190 V209 L233	F152-L197 HydrophobicContact CD2-CD1 3.77Å; F152-L197 HydrophobicContact CE2-CD1 3.9Å; E170-L197 HydrophobicContact CG-CD2 4.07Å; V173-L197 HydrophobicContact CG2-CD1 4.06Å; Q187-L197 CarbonylContact C-O 3.41Å; Q187-L197 WeakPolarHBondContact CA-O 3.27Å; L188-L197 HydrophobicContact CB-CB 4.29Å; L188-L197 PolarHBondContact N-O 2.76Å; L188-L197 PolarHBondContact O-N 3.37Å; T190-L197 HydrophobicContact CG2-CD1 3.9Å; T190-L197 HydrophobicContact CG2-CD2 3.87Å; T190-L197 HydrophobicContact CG2-CG 3.46Å; T190-L197 VanDerWaalsContact CG2-CG 3.46Å; L197-V209 HydrophobicContact CB-CG1 3.52Å; L197-V209 HydrophobicContact CD1-CG1 3.58Å; L197-V209 HydrophobicContact CG-CG1 4.04Å; L197-L233 HydrophobicContact CD1-CD1 3.8Å; L197-L233 HydrophobicContact CD2-CD1 3.74Å; L197-L233 HydrophobicContact CG-CD1 4.42Å
198	Y	95.6	Very high	92.6	Very high	36 Å²	36	46 Å²	46	14%	0.141	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	128.7	175	-176	-100.3	0	0	0	110.6	G185 Q187 T200 V209 D210 R277	G185-Y198 WeakPolarHBondContact CA-OH 3.48Å; Q187-Y198 HydrophobicContact CG-CD2 4.23Å; Y198-T200 VanDerWaalsContact CE1-OG1 3.27Å; Y198-T200 WeakPolarHBondContact CE1-OG1 3.4Å; Y198-V209 WeakPolarHBondContact O-CA 3.14Å; Y198-D210 PolarHBondContact N-OD1 2.84Å; Y198-D210 PolarHBondContact O-N 2.97Å; Y198-R277 VanDerWaalsContact CE2-CD 3.41Å; Y198-R277 VanDerWaalsContact CG-CZ 3.42Å
199	V	97.3	Very high	92.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	131.7	178.4	-177.9	0	0	0	0	110.1	L182 K183 T184 G185 L186 L188 V207 S208 V209	L182-V199 HydrophobicContact CB-CG1 3.85Å; L182-V199 HydrophobicContact CD2-CG2 4.12Å; K183-V199 WeakPolarHBondContact O-CG1 3.44Å; T184-V199 WeakPolarHBondContact CA-O 3.12Å; G185-V199 PolarHBondContact N-O 3.19Å; L186-V199 HydrophobicContact CB-CB 4.04Å; L186-V199 HydrophobicContact CB-CG2 4.04Å; L186-V199 HydrophobicContact CD2-CG2 4.28Å; L186-V199 HydrophobicContact CG-CG2 4.3Å; L186-V199 PolarHBondContact O-N 3.39Å; L188-V199 HydrophobicContact CD1-CG2 3.93Å; L188-V199 HydrophobicContact CG-CG2 4.3Å; V199-V207 HydrophobicContact CG1-CG1 3.96Å; V199-S208 WeakPolarHBondContact CA-O 3.17Å; V199-V209 HydrophobicContact CG2-CG2 4.34Å
200	T	95.6	Very high	92.6	Very high	8 Å²	8	41.3 Å²	41.3	5%	0.049	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.3	128.9	170.4	-51.9	0	0	0	0	109.1	T184 Y198 V207 S208 H317	T184-T200 HydrophobicContact CG2-CG2 4.39Å; Y198-T200 VanDerWaalsContact CE1-OG1 3.27Å; Y198-T200 WeakPolarHBondContact CE1-OG1 3.4Å; T200-V207 WeakPolarHBondContact O-CA 3.38Å; T200-S208 PolarHBondContact N-O 3.12Å; T200-S208 PolarHBondContact O-N 3.28Å; T200-H317 WeakPolarHBondContact CG2-CE1 3.27Å
201	R	94.8	Very high	92.6	Very high	67 Å²	67	40.9 Å²	40.9	25%	0.253	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	123.3	175.3	177.5	171.7	-177.3	167.5	-5.2	109.8	S66 T184 T206 V207	S66-R201 VanDerWaalsContact CB-CZ 3.48Å; S66-R201 PolarHBondContact OG-NE 2.91Å; S66-R201 VanDerWaalsContact OG-NE 3.08Å; S66-R201 PolarHBondContact OG-NH2 2.81Å; T184-R201 WeakPolarHBondContact OG1-CA 3.5Å; T184-R201 WeakPolarHBondContact OG1-CB 3.08Å; T184-R201 PolarHBondContact OG1-N 2.94Å; T184-R201 PolarHBondContact OG1-O 3.12Å; R201-T206 WeakPolarHBondContact CA-O 3.46Å; R201-V207 HydrophobicContact CB-CG2 4.18Å; R201-V207 HydrophobicContact CG-CG2 3.93Å
202	E	91.9	Very high	92.6	Very high	50 Å²	50	40.3 Å²	40.3	23%	0.234	19%	0.194	C	C	.	.			trans	-84.8	161.7	-178.9	-68.1	-57.7	135.8	0	0	112.1	H204 G205 T206 H317	E202-H204 WeakPolarHBondContact CB-CE1 3.41Å; E202-H204 PolarHBondContact O-N 3.42Å; E202-G205 WeakPolarHBondContact O-CA 3.31Å; E202-G205 PolarHBondContact O-N 3.31Å; E202-T206 WeakPolarHBondContact CB-OG1 3.32Å; E202-T206 PolarHBondContact N-O 2.76Å; E202-H317 HydrophobicContact CG-CB 4.09Å; E202-H317 IonicContact OE1-CE1 2.67Å; E202-H317 PolarHBondContact OE1-CE1 3.3Å; E202-H317 IonicContact OE1-CG 3.31Å; E202-H317 IonicContact OE1-ND1 3.18Å; E202-H317 PolarHBondContact OE1-ND1 2.84Å
203	H	89.7	Confident	92.9	Very high	196 Å²	196	39.4 Å²	39.4	91%	0.907	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60	-31.7	179.7	-68	-64.5	0	0	0	113.5	G205	H203-G205 PolarHBondContact O-N 3.48Å
204	H	88.7	Confident	93.2	Very high	26 Å²	26	33.3 Å²	33.3	12%	0.12	15%	0.15	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-2.8	175.9	57.9	-83.9	0	0	0	112.7	W55 F70 M72 E202 T206	W55-H204 HydrophobicContact CH2-CB 4.13Å; W55-H204 AromaticContact CH2-CD2 4Å; W55-H204 VanDerWaalsContact CH2-O 3.3Å; W55-H204 WeakPolarHBondContact CH2-O 3.44Å; W55-H204 AromaticContact CZ3-CD2 3.84Å; F70-H204 HydrophobicContact CE1-CB 4.28Å; F70-H204 HydrophobicContact CZ-CB 4.1Å; M72-H204 HydrophobicContact SD-CB 4.46Å; E202-H204 WeakPolarHBondContact CB-CE1 3.41Å; E202-H204 PolarHBondContact O-N 3.42Å; H204-T206 PolarHBondContact CD2-OG1 3.11Å; H204-T206 WeakPolarHBondContact NE2-CG2 3.46Å; H204-T206 PolarHBondContact NE2-OG1 3.29Å
205	G	91.1	Very high	93.7	Very high	2 Å²	2	25.8 Å²	25.8	2%	0.021	12%	0.118	C	C	.	.	S	Bend	trans	97.2	-0.1	167.6	0	0	0	0	0	115.6	S66 E202 H203	S66-G205 WeakPolarHBondContact CB-O 3.18Å; S66-G205 PolarHBondContact N-O 3.09Å; S66-G205 WeakPolarHBondContact OG-CA 3.41Å; S66-G205 PolarHBondContact OG-O 3.01Å; E202-G205 WeakPolarHBondContact O-CA 3.31Å; E202-G205 PolarHBondContact O-N 3.31Å; H203-G205 PolarHBondContact O-N 3.48Å
206	T	94	Very high	93.9	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.012	12%	0.124	C	C	.	.	B	Isolated β-bridge	trans	-63.7	147	167.6	51.5	0	0	0	0	110	W55 I63 R201 E202 H204	W55-T206 HydrophobicContact CE3-CG2 4.12Å; W55-T206 HydrophobicContact CZ3-CG2 3.81Å; I63-T206 HydrophobicContact CD1-CG2 3.81Å; R201-T206 WeakPolarHBondContact CA-O 3.46Å; E202-T206 WeakPolarHBondContact CB-OG1 3.32Å; E202-T206 PolarHBondContact N-O 2.76Å; H204-T206 PolarHBondContact CD2-OG1 3.11Å; H204-T206 WeakPolarHBondContact NE2-CG2 3.46Å; H204-T206 PolarHBondContact NE2-OG1 3.29Å
207	V	96.2	Very high	94	Very high	2 Å²	2	22.5 Å²	22.5	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	134.7	179.5	-178.8	0	0	0	0	107.9	L179 L182 V199 T200 R201 L214	L179-V207 HydrophobicContact CD1-CB 4.07Å; L179-V207 HydrophobicContact CD1-CG2 3.71Å; L182-V207 HydrophobicContact CB-CG1 3.9Å; L182-V207 HydrophobicContact CD1-CG1 4.17Å; V199-V207 HydrophobicContact CG1-CG1 3.96Å; T200-V207 WeakPolarHBondContact O-CA 3.38Å; R201-V207 HydrophobicContact CB-CG2 4.18Å; R201-V207 HydrophobicContact CG-CG2 3.93Å; V207-L214 HydrophobicContact CB-CD1 4.47Å; V207-L214 HydrophobicContact CG1-CD1 4.23Å; V207-L214 WeakPolarHBondContact O-CD1 3.37Å; V207-L214 PolarHBondContact O-N 2.9Å
208	S	95.8	Very high	94	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	153.9	172.6	63.6	0	0	0	0	111.6	V199 T200 V212 H317	V199-S208 WeakPolarHBondContact CA-O 3.17Å; T200-S208 PolarHBondContact N-O 3.12Å; T200-S208 PolarHBondContact O-N 3.28Å; S208-V212 CarbonylContact C-O 3.57Å; S208-V212 WeakPolarHBondContact CA-O 3.31Å; S208-V212 WeakPolarHBondContact CB-O 3.38Å; S208-H317 WeakPolarHBondContact CB-NE2 3.46Å; S208-H317 PolarHBondContact OG-CE1 3.21Å; S208-H317 PolarHBondContact OG-NE2 3.24Å
209	V	96	Very high	94	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	119.7	176.6	-178.9	0	0	0	0	107.5	F152 L197 Y198 V199 C211 V212 L214 L233	F152-V209 HydrophobicContact CD1-CG2 4.14Å; F152-V209 HydrophobicContact CE1-CB 4.46Å; F152-V209 HydrophobicContact CE1-CG2 3.61Å; F152-V209 HydrophobicContact CE2-CG1 4.35Å; F152-V209 HydrophobicContact CZ-CG1 4.38Å; F152-V209 HydrophobicContact CZ-CG2 3.88Å; L197-V209 HydrophobicContact CB-CG1 3.52Å; L197-V209 HydrophobicContact CD1-CG1 3.58Å; L197-V209 HydrophobicContact CG-CG1 4.04Å; Y198-V209 WeakPolarHBondContact O-CA 3.14Å; V199-V209 HydrophobicContact CG2-CG2 4.34Å; V209-C211 PolarHBondContact O-N 3.26Å; V209-V212 PolarHBondContact N-O 3.4Å; V209-V212 PolarHBondContact O-N 2.85Å; V209-L214 HydrophobicContact CG2-CD1 3.91Å; V209-L233 HydrophobicContact CG1-CD2 4.49Å; V209-L233 VanDerWaalsContact O-CD2 3.31Å; V209-L233 WeakPolarHBondContact O-CD2 3.05Å
210	D	93.8	Very high	93.8	Very high	4 Å²	4	26.9 Å²	26.9	2%	0.021	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	46.6	47.9	-170.8	-86.8	13.6	0	0	0	112.1	R195 Y198 V212 L233 A365	R195-D210 IonicContact NH2-OD2 2.72Å; R195-D210 PolarHBondContact NH2-OD2 3.23Å; Y198-D210 PolarHBondContact N-OD1 2.84Å; Y198-D210 PolarHBondContact O-N 2.97Å; D210-V212 PolarHBondContact O-N 2.77Å; D210-L233 HydrophobicContact CB-CD2 4.25Å; D210-A365 HydrophobicContact CB-CB 3.92Å
211	C	94.8	Very high	93.6	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.034	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	66.1	7.7	-177.9	-63.5	0	0	0	0	116.5	V209 Q312 C314 D363	V209-C211 PolarHBondContact O-N 3.26Å; C211-Q312 PolarHBondContact SG-NE2 3.34Å; C211-C314 WeakPolarHBondContact CA-SG 3.49Å; C211-C314 HydrophobicContact CB-CB 3.48Å; C211-C314 VanDerWaalsContact CB-CB 3.48Å; C211-C314 WeakPolarHBondContact CB-SG 3.49Å; C211-C314 WeakPolarHBondContact SG-CB 3.4Å; C211-C314 CovalentContact SG-SG 2.04Å; C211-C314 PolarHBondContact SG-SG 2.84Å; C211-D363 HydrophobicContact CB-CB 3.76Å
212	V	94.2	Very high	93.3	Very high	19 Å²	19	26.5 Å²	26.5	12%	0.115	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	118.4	172.4	-172.4	0	0	0	0	110.4	S208 V209 D210 I229 R230 Y231 L233	S208-V212 CarbonylContact C-O 3.57Å; S208-V212 WeakPolarHBondContact CA-O 3.31Å; S208-V212 WeakPolarHBondContact CB-O 3.38Å; V209-V212 PolarHBondContact N-O 3.4Å; V209-V212 PolarHBondContact O-N 2.85Å; D210-V212 PolarHBondContact O-N 2.77Å; V212-I229 HydrophobicContact CG1-CB 3.93Å; V212-I229 HydrophobicContact CG1-CD1 4.29Å; V212-I229 HydrophobicContact CG1-CG1 4.38Å; V212-R230 HydrophobicContact CG1-CB 4.19Å; V212-Y231 WeakPolarHBondContact CG1-O 3.46Å; V212-L233 HydrophobicContact CB-CD2 4.1Å; V212-L233 HydrophobicContact CG2-CD2 3.92Å
213	E	94.9	Very high	92.9	Very high	7 Å²	7	24.7 Å²	24.7	3%	0.033	13%	0.125	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67	143.7	179.8	-60.9	176.4	96	0	0	112.5	I63 R74 R230	I63-E213 HydrophobicContact CG2-CB 4.49Å; R74-E213 IonicContact CZ-OE1 3.68Å; R74-E213 IonicContact CZ-OE2 3.59Å; R74-E213 IonicContact NH1-OE1 3.83Å; R74-E213 PolarHBondContact NH1-OE1 3.32Å; R74-E213 IonicContact NH1-OE2 2.99Å; R74-E213 PolarHBondContact NH1-OE2 2.6Å; R74-E213 IonicContact NH2-OE1 2.63Å; R74-E213 IonicContact NH2-OE2 3.04Å; R74-E213 PolarHBondContact NH2-OE2 3.36Å; E213-R230 PolarHBondContact O-N 3.32Å; E213-R230 IonicContact OE2-NH1 2.79Å
214	L	95.5	Very high	93	Very high	1 Å²	1	15.3 Å²	15.3	1%	0.005	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	136	170.2	-83.9	66.7	0	0	0	110.2	I64 L179 L182 V207 V209 A217 H227 T228 I229	I64-L214 HydrophobicContact CG2-CB 3.72Å; I64-L214 PolarHBondContact N-O 2.89Å; L179-L214 HydrophobicContact CD1-CD2 3.93Å; L182-L214 HydrophobicContact CD1-CD2 3.91Å; V207-L214 HydrophobicContact CB-CD1 4.47Å; V207-L214 HydrophobicContact CG1-CD1 4.23Å; V207-L214 WeakPolarHBondContact O-CD1 3.37Å; V207-L214 PolarHBondContact O-N 2.9Å; V209-L214 HydrophobicContact CG2-CD1 3.91Å; L214-A217 HydrophobicContact CD2-CB 4.13Å; L214-H227 HydrophobicContact CD2-CB 4.03Å; L214-H227 HydrophobicContact CG-CB 4.41Å; L214-T228 WeakPolarHBondContact CA-O 3.15Å; L214-I229 HydrophobicContact CD1-CG2 4.08Å; L214-I229 HydrophobicContact CG-CG2 4.26Å
215	V	93	Very high	93.3	Very high	10 Å²	10	14.1 Å²	14.1	6%	0.061	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	-35.8	176.5	169.6	0	0	0	0	110.7	F54 S62 T228 R230	F54-V215 WeakPolarHBondContact CE1-O 3.29Å; S62-V215 WeakPolarHBondContact O-CG1 3.26Å; V215-T228 HydrophobicContact CB-CG2 4.16Å; V215-T228 HydrophobicContact CG1-CG2 4.38Å; V215-T228 PolarHBondContact N-O 3.22Å; V215-R230 HydrophobicContact CG2-CB 3.82Å; V215-R230 HydrophobicContact CG2-CG 4.08Å
216	D	92.4	Very high	93.6	Very high	32 Å²	32	14 Å²	14	17%	0.171	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.7	156.4	176.3	-166.6	23.3	0	0	0	109.2	T228	D216-T228 PolarHBondContact N-O 3.01Å; D216-T228 PolarHBondContact O-N 3.22Å
217	A	94.8	Very high	93.7	Very high	5 Å²	5	14 Å²	14	4%	0.041	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	158.7	-172.1	0	0	0	0	0	112.9	I64 A87 L179 L214 H227	I64-A217 HydrophobicContact CD1-CB 3.94Å; I64-A217 HydrophobicContact CG2-CB 4.41Å; A87-A217 WeakPolarHBondContact CB-O 3.34Å; L179-A217 HydrophobicContact CB-CB 4.01Å; L179-A217 HydrophobicContact CD1-CB 4.09Å; L179-A217 HydrophobicContact CD2-CB 4.01Å; L179-A217 HydrophobicContact CG-CB 4.26Å; L214-A217 HydrophobicContact CD2-CB 4.13Å; A217-H227 VanDerWaalsContact CA-ND1 3.3Å; A217-H227 WeakPolarHBondContact CA-ND1 3.26Å; A217-H227 WeakPolarHBondContact CB-ND1 3.36Å
218	D	94.4	Very high	93.6	Very high	51 Å²	51	14.2 Å²	14.2	27%	0.273	8%	0.076	S	C	.	.	E	Extended strand (participates in β ladder)	trans	68.5	27.1	172.9	-61.7	-30.1	0	0	0	115.4	Y178 L179 E220 H227	Y178-D218 WeakPolarHBondContact CA-OD1 3.36Å; Y178-D218 WeakPolarHBondContact CB-OD1 3.48Å; Y178-D218 HydrophobicContact CD1-CB 4.28Å; Y178-D218 WeakPolarHBondContact CD1-OD1 3.38Å; L179-D218 VanDerWaalsContact CB-OD2 3.3Å; L179-D218 WeakPolarHBondContact CB-OD2 3.36Å; L179-D218 PolarHBondContact N-OD1 3.16Å; L179-D218 PolarHBondContact N-OD2 2.84Å; D218-E220 PolarHBondContact O-N 3.39Å; D218-H227 PolarHBondContact N-CE1 3.36Å; D218-H227 PolarHBondContact N-ND1 3.45Å; D218-H227 VanDerWaalsContact N-ND1 3.12Å; D218-H227 IonicContact OD1-CE1 2.96Å; D218-H227 PolarHBondContact OD1-CE1 2.75Å; D218-H227 VanDerWaalsContact OD1-CE1 3.31Å
219	M	94.3	Very high	93.5	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.01	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	109.2	171.5	175.6	167.7	57.7	0	0	110.5	A87 L111 Q124 I127 I225 I226	A87-M219 HydrophobicContact CB-CB 4.33Å; L111-M219 HydrophobicContact CD1-SD 4.09Å; Q124-M219 PolarHBondContact NE2-SD 3.08Å; I127-M219 HydrophobicContact CD1-CE 4.16Å; M219-I225 CarbonylContact O-C 3.44Å; M219-I225 WeakPolarHBondContact O-CA 3.49Å; M219-I226 HydrophobicContact CB-CB 4.18Å; M219-I226 HydrophobicContact CE-CB 3.61Å; M219-I226 HydrophobicContact CE-CD1 3.69Å; M219-I226 HydrophobicContact CE-CG1 4.26Å; M219-I226 HydrophobicContact CE-CG2 3.48Å; M219-I226 VanDerWaalsContact CE-CG2 3.48Å; M219-I226 HydrophobicContact CG-CB 4.48Å; M219-I226 PolarHBondContact N-O 3.08Å; M219-I226 VanDerWaalsContact N-O 3.09Å; M219-I226 PolarHBondContact O-N 3.06Å
220	E	94.1	Very high	93.3	Very high	76 Å²	76	15.3 Å²	15.3	36%	0.355	8%	0.081	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	142.8	179.6	-63.8	-163.4	166.4	0	0	113	P113 Y178 D218	P113-E220 HydrophobicContact CB-CB 4.01Å; Y178-E220 HydrophobicContact CE1-CG 4.4Å; Y178-E220 VanDerWaalsContact CE1-OE1 3.27Å; Y178-E220 WeakPolarHBondContact CE1-OE1 3.47Å; Y178-E220 PolarHBondContact OH-OE1 2.83Å; D218-E220 PolarHBondContact O-N 3.39Å
221	C	91.8	Very high	93	Very high	1 Å²	1	16.5 Å²	16.5	1%	0.007	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	167.4	172.6	57.2	0	0	0	0	109.9	P113 C117 L120 S223 G224 I226	P113-C221 CarbonylContact O-C 3.51Å; P113-C221 WeakPolarHBondContact O-CA 3.14Å; C117-C221 HydrophobicContact CB-CB 3.77Å; C117-C221 WeakPolarHBondContact CB-SG 3.31Å; C117-C221 WeakPolarHBondContact SG-CB 3.44Å; C117-C221 CovalentContact SG-SG 2.02Å; C117-C221 PolarHBondContact SG-SG 3.04Å; L120-C221 HydrophobicContact CD1-CB 3.55Å; C221-S223 PolarHBondContact O-N 2.83Å; C221-G224 PolarHBondContact N-O 3.11Å; C221-G224 PolarHBondContact O-N 2.67Å; C221-G224 VanDerWaalsContact O-N 3.08Å; C221-G224 PolarHBondContact SG-O 2.84Å; C221-G224 VanDerWaalsContact SG-O 3.35Å; C221-I226 HydrophobicContact CB-CD1 4.22Å
222	N	87.2	Confident	92.8	Very high	65 Å²	65	16.6 Å²	16.6	35%	0.348	9%	0.086	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.2	-36.6	-171	-174.1	27.3	0	0	0	112	P113 Y114 E115 K143 R176	P113-N222 WeakPolarHBondContact O-CA 3.36Å; P113-N222 PolarHBondContact O-N 2.93Å; Y114-N222 WeakPolarHBondContact O-CB 3.43Å; E115-N222 WeakPolarHBondContact O-CB 3.42Å; E115-N222 PolarHBondContact O-N 3.19Å; K143-N222 PolarHBondContact O-ND2 3.38Å; R176-N222 PolarHBondContact NH2-O 3.02Å
223	S	84.3	Confident	92.6	Very high	12 Å²	12	16.3 Å²	16.3	8%	0.084	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-117.3	15.5	-170.5	-45	0	0	0	0	113.8	P145 P148 Y149 C221	P145-S223 WeakPolarHBondContact CD-OG 3.39Å; P145-S223 VanDerWaalsContact CG-CB 3.43Å; P145-S223 VanDerWaalsContact CG-OG 3.23Å; P145-S223 WeakPolarHBondContact CG-OG 3.3Å; P148-S223 CarbonylContact C-O 3.55Å; P148-S223 WeakPolarHBondContact CA-O 3.33Å; Y149-S223 PolarHBondContact N-O 2.93Å; C221-S223 PolarHBondContact O-N 2.83Å
224	G	92.3	Very high	91.6	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.085	C	C	.	.	E	Extended strand (participates in β ladder)	trans	171	-165.2	-172.2	0	0	0	0	0	117.2	Y149 R176 C221	Y149-G224 CarbonylContact O-C 3.54Å; Y149-G224 WeakPolarHBondContact O-CA 3.42Å; R176-G224 PolarHBondContact NH1-O 3.23Å; C221-G224 PolarHBondContact N-O 3.11Å; C221-G224 PolarHBondContact O-N 2.67Å; C221-G224 VanDerWaalsContact O-N 3.08Å; C221-G224 PolarHBondContact SG-O 2.84Å; C221-G224 VanDerWaalsContact SG-O 3.35Å
225	I	95.3	Very high	90.1	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	136.7	174.9	-59.8	171.9	0	0	0	107.2	Y149 T150 I151 R176 Y178 M219	Y149-I225 PolarHBondContact O-N 2.77Å; T150-I225 CarbonylContact C-O 3.4Å; T150-I225 WeakPolarHBondContact CA-O 3.46Å; I151-I225 PolarHBondContact N-O 3.16Å; R176-I225 HydrophobicContact CB-CD1 3.76Å; R176-I225 HydrophobicContact CB-CG1 4.47Å; R176-I225 HydrophobicContact CG-CD1 4.22Å; R176-I225 HydrophobicContact CG-CG1 4.44Å; Y178-I225 HydrophobicContact CD1-CD1 3.79Å; Y178-I225 HydrophobicContact CD2-CD1 3.67Å; Y178-I225 HydrophobicContact CE1-CD1 3.66Å; Y178-I225 HydrophobicContact CE1-CG1 4.42Å; Y178-I225 HydrophobicContact CE2-CD1 3.53Å; Y178-I225 HydrophobicContact CG-CD1 3.8Å; M219-I225 CarbonylContact O-C 3.44Å; M219-I225 WeakPolarHBondContact O-CA 3.49Å
226	I	95.9	Very high	88.8	Confident	1 Å²	1	22.1 Å²	22.1	1%	0.005	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	126	177.1	-59	155.6	0	0	0	107.9	C117 L120 I121 I127 I151 A153 M219 C221	C117-I226 HydrophobicContact CB-CD1 4.05Å; C117-I226 HydrophobicContact CB-CG1 4.46Å; L120-I226 HydrophobicContact CB-CD1 4.39Å; I121-I226 HydrophobicContact CD1-CD1 4.06Å; I121-I226 HydrophobicContact CD1-CG1 4.23Å; I121-I226 HydrophobicContact CG1-CD1 3.75Å; I121-I226 HydrophobicContact CG1-CG1 4.33Å; I121-I226 HydrophobicContact CG1-CG2 4.34Å; I127-I226 HydrophobicContact CD1-CG2 4.36Å; I151-I226 HydrophobicContact CB-CG1 4.24Å; I151-I226 HydrophobicContact CD1-CG1 4.08Å; I151-I226 CarbonylContact O-C 3.39Å; I151-I226 WeakPolarHBondContact O-CA 3.35Å; A153-I226 HydrophobicContact CB-CG2 3.92Å; M219-I226 HydrophobicContact CB-CB 4.18Å; M219-I226 HydrophobicContact CE-CB 3.61Å; M219-I226 HydrophobicContact CE-CD1 3.69Å; M219-I226 HydrophobicContact CE-CG1 4.26Å; M219-I226 HydrophobicContact CE-CG2 3.48Å; M219-I226 VanDerWaalsContact CE-CG2 3.48Å; M219-I226 HydrophobicContact CG-CB 4.48Å; M219-I226 PolarHBondContact N-O 3.08Å; M219-I226 VanDerWaalsContact N-O 3.09Å; M219-I226 PolarHBondContact O-N 3.06Å; C221-I226 HydrophobicContact CB-CD1 4.22Å
227	H	96.6	Very high	87.7	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	129.7	167.1	-62.4	-57.4	0	0	0	107.9	T150 I151 F152 A153 F177 L214 A217 D218	T150-H227 VanDerWaalsContact CG2-CD2 3.48Å; T150-H227 WeakPolarHBondContact CG2-CD2 3.42Å; I151-H227 PolarHBondContact O-N 3.18Å; F152-H227 CarbonylContact C-O 3.5Å; F152-H227 VanDerWaalsContact CA-O 3.32Å; F152-H227 WeakPolarHBondContact CA-O 3.24Å; F152-H227 HydrophobicContact CD1-CB 3.79Å; F152-H227 HydrophobicContact CE1-CB 4.02Å; F152-H227 AromaticContact CE1-CD2 3.61Å; A153-H227 PolarHBondContact N-O 3.38Å; F177-H227 PolarHBondContact O-NE2 3.11Å; L214-H227 HydrophobicContact CD2-CB 4.03Å; L214-H227 HydrophobicContact CG-CB 4.41Å; A217-H227 VanDerWaalsContact CA-ND1 3.3Å; A217-H227 WeakPolarHBondContact CA-ND1 3.26Å; A217-H227 WeakPolarHBondContact CB-ND1 3.36Å; D218-H227 PolarHBondContact N-CE1 3.36Å; D218-H227 PolarHBondContact N-ND1 3.45Å; D218-H227 VanDerWaalsContact N-ND1 3.12Å; D218-H227 IonicContact OD1-CE1 2.96Å; D218-H227 PolarHBondContact OD1-CE1 2.75Å; D218-H227 VanDerWaalsContact OD1-CE1 3.31Å
228	T	94.6	Very high	87	Confident	7 Å²	7	34.8 Å²	34.8	4%	0.043	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124.9	174.9	-58.3	0	0	0	0	108.8	I127 A153 L214 V215 D216	I127-T228 HydrophobicContact CG2-CG2 3.74Å; A153-T228 CarbonylContact O-C 3.45Å; A153-T228 VanDerWaalsContact O-CA 3.29Å; A153-T228 WeakPolarHBondContact O-CA 3.35Å; L214-T228 WeakPolarHBondContact CA-O 3.15Å; V215-T228 HydrophobicContact CB-CG2 4.16Å; V215-T228 HydrophobicContact CG1-CG2 4.38Å; V215-T228 PolarHBondContact N-O 3.22Å; D216-T228 PolarHBondContact N-O 3.01Å; D216-T228 PolarHBondContact O-N 3.22Å
229	I	94.3	Very high	86.8	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	153.1	176.6	62.5	170.9	0	0	0	110.5	F152 A153 P154 S155 V212 L214 Y231 L233	F152-I229 HydrophobicContact CB-CD1 4.08Å; F152-I229 HydrophobicContact CB-CG1 4.48Å; F152-I229 HydrophobicContact CB-CG2 4.01Å; F152-I229 HydrophobicContact CD1-CG2 3.9Å; F152-I229 HydrophobicContact CG-CG2 4.4Å; A153-I229 PolarHBondContact O-N 3.09Å; P154-I229 WeakPolarHBondContact CA-O 3.42Å; P154-I229 HydrophobicContact CB-CD1 4.38Å; P154-I229 HydrophobicContact CB-CG1 4.07Å; S155-I229 PolarHBondContact N-O 3.02Å; V212-I229 HydrophobicContact CG1-CB 3.93Å; V212-I229 HydrophobicContact CG1-CD1 4.29Å; V212-I229 HydrophobicContact CG1-CG1 4.38Å; L214-I229 HydrophobicContact CD1-CG2 4.08Å; L214-I229 HydrophobicContact CG-CG2 4.26Å; I229-Y231 VanDerWaalsContact C-N 3.32Å; I229-Y231 WeakPolarHBondContact CD1-O 3.09Å; I229-Y231 WeakPolarHBondContact CG1-O 3.31Å; I229-Y231 PolarHBondContact O-N 3.14Å; I229-L233 HydrophobicContact CD1-CD1 4.42Å; I229-L233 HydrophobicContact CD1-CD2 3.75Å; I229-L233 HydrophobicContact CD1-CG 3.7Å
230	R	91	Very high	86.7	Confident	23 Å²	23	37.1 Å²	37.1	9%	0.087	18%	0.183	C	C	.	.	S	Bend	trans	-61.8	-38.4	-170.8	-159.2	175.6	172.2	-153.7	-3.2	113.4	D59 V212 E213 V215	D59-R230 IonicContact OD1-NH2 2.71Å; D59-R230 IonicContact OD2-CZ 3.78Å; D59-R230 IonicContact OD2-NE 3.79Å; D59-R230 IonicContact OD2-NH2 3.97Å; D59-R230 PolarHBondContact OD2-NH2 3.43Å; V212-R230 HydrophobicContact CG1-CB 4.19Å; E213-R230 PolarHBondContact O-N 3.32Å; E213-R230 IonicContact OE2-NH1 2.79Å; V215-R230 HydrophobicContact CG2-CB 3.82Å; V215-R230 HydrophobicContact CG2-CG 4.08Å
231	Y	87.8	Confident	86.6	Confident	30 Å²	30	35.1 Å²	35.1	12%	0.118	17%	0.172	C	C	.	.	S	Bend	trans	-145.2	164.5	-177.9	-49.4	-56.4	0	0	0	110.8	N158 K161 V212 I229	N158-Y231 HydrophobicContact CB-CD1 3.65Å; N158-Y231 HydrophobicContact CB-CE1 3.41Å; N158-Y231 VanDerWaalsContact CB-CE1 3.41Å; N158-Y231 WeakPolarHBondContact ND2-CE1 3.46Å; K161-Y231 HydrophobicContact CD-CD1 3.79Å; K161-Y231 HydrophobicContact CD-CD2 4.03Å; K161-Y231 HydrophobicContact CD-CE1 4.41Å; K161-Y231 HydrophobicContact CD-CG 3.6Å; V212-Y231 WeakPolarHBondContact CG1-O 3.46Å; I229-Y231 VanDerWaalsContact C-N 3.32Å; I229-Y231 WeakPolarHBondContact CD1-O 3.09Å; I229-Y231 WeakPolarHBondContact CG1-O 3.31Å; I229-Y231 PolarHBondContact O-N 3.14Å
232	P	90.2	Very high	86.6	Confident	7 Å²	7	36.8 Å²	36.8	5%	0.045	18%	0.184	C	C	.	.			trans	-58.5	140.4	170.1	-23.3	34	0	0	0	112.5	P154 Y162 F165 T234	P154-P232 HydrophobicContact CB-CB 4.18Å; P154-P232 HydrophobicContact CB-CG 3.82Å; P154-P232 HydrophobicContact CG-CB 4.35Å; P154-P232 HydrophobicContact CG-CG 4.11Å; Y162-P232 HydrophobicContact CD2-CG 4.01Å; F165-P232 HydrophobicContact CB-CB 4.28Å; F165-P232 HydrophobicContact CB-CG 4.16Å; F165-P232 HydrophobicContact CD2-CB 3.71Å; F165-P232 HydrophobicContact CD2-CG 4.34Å; F165-P232 HydrophobicContact CE2-CB 4.43Å; F165-P232 HydrophobicContact CG-CB 4.12Å; F165-P232 HydrophobicContact CG-CG 4.25Å; P232-T234 PolarHBondContact O-N 3.03Å; P232-T234 VanDerWaalsContact O-N 3.12Å
233	L	89.8	Confident	87	Confident	13 Å²	13	33.8 Å²	33.8	7%	0.068	17%	0.168	C	C	.	.	S	Bend	trans	-63.7	-13.9	175.6	-58.9	170.3	0	0	0	113	E170 H171 L197 V209 D210 V212 I229 R241	E170-L233 HydrophobicContact CG-CD1 4.44Å; H171-L233 PolarHBondContact CE1-N 2.93Å; H171-L233 PolarHBondContact NE2-N 2.8Å; L197-L233 HydrophobicContact CD1-CD1 3.8Å; L197-L233 HydrophobicContact CD2-CD1 3.74Å; L197-L233 HydrophobicContact CG-CD1 4.42Å; V209-L233 HydrophobicContact CG1-CD2 4.49Å; V209-L233 VanDerWaalsContact O-CD2 3.31Å; V209-L233 WeakPolarHBondContact O-CD2 3.05Å; D210-L233 HydrophobicContact CB-CD2 4.25Å; V212-L233 HydrophobicContact CB-CD2 4.1Å; V212-L233 HydrophobicContact CG2-CD2 3.92Å; I229-L233 HydrophobicContact CD1-CD1 4.42Å; I229-L233 HydrophobicContact CD1-CD2 3.75Å; I229-L233 HydrophobicContact CD1-CG 3.7Å; L233-R241 PolarHBondContact O-NH1 3.13Å
234	T	73.1	Confident	87.5	Confident	12 Å²	12	33.2 Å²	33.2	7%	0.074	16%	0.164	C	C	.	.			trans	-134.2	119.8	175	-176.4	0	0	0	0	109.8	F165 P232	F165-T234 HydrophobicContact CD2-CG2 4.06Å; F165-T234 HydrophobicContact CE2-CG2 4.28Å; P232-T234 PolarHBondContact O-N 3.03Å; P232-T234 VanDerWaalsContact O-N 3.12Å
235	N	65.3	Low	87.8	Confident	65 Å²	65	33.7 Å²	33.7	35%	0.348	17%	0.166	S	C	.	.			trans	-116.7	-10.3	173.7	63.2	-19	0	0	0	113.1	D164	D164-N235 WeakPolarHBondContact CB-O 3.47Å
236	I	66	Low	87.8	Confident	63 Å²	63	35.4 Å²	35.4	32%	0.323	18%	0.175	S	C	.	.	S	Bend	trans	-119.3	128.9	-174.7	-57.1	154	0	0	0	110.4	L239 L364	I236-L239 HydrophobicContact CB-CD1 3.94Å; I236-L239 HydrophobicContact CB-CG 4.4Å; I236-L239 HydrophobicContact CD1-CD1 4.07Å; I236-L239 HydrophobicContact CG2-CD1 3.54Å; I236-L239 HydrophobicContact CG2-CG 3.73Å; I236-L364 HydrophobicContact CD1-CD2 3.31Å
237	R	69.1	Low	87.8	Confident	144 Å²	144	35.4 Å²	35.4	54%	0.543	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.3	148.7	176.5	-66.6	-175.2	179.4	-175.3	2.1	111	L239	R237-L239 PolarHBondContact O-N 3.19Å
238	N	80.6	Confident	87.9	Confident	159 Å²	159	35.5 Å²	35.5	85%	0.85	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.8	19.3	168.8	-51.6	-28.7	0	0	0	117
239	L	88.8	Confident	88	Confident	28 Å²	28	38.7 Å²	38.7	15%	0.147	19%	0.19	C	C	.	.			trans	-94.5	133.5	170.1	-59.9	-174.1	0	0	0	111.4	I236 R237 R241 L247 S250 N251	I236-L239 HydrophobicContact CB-CD1 3.94Å; I236-L239 HydrophobicContact CB-CG 4.4Å; I236-L239 HydrophobicContact CD1-CD1 4.07Å; I236-L239 HydrophobicContact CG2-CD1 3.54Å; I236-L239 HydrophobicContact CG2-CG 3.73Å; R237-L239 PolarHBondContact O-N 3.19Å; L239-R241 PolarHBondContact O-N 3.5Å; L239-L247 HydrophobicContact CB-CD1 4.06Å; L239-L247 HydrophobicContact CD1-CD1 3.86Å; L239-S250 WeakPolarHBondContact CD2-O 3.46Å; L239-N251 HydrophobicContact CD1-CB 4.33Å; L239-N251 VanDerWaalsContact CD2-CA 3.48Å; L239-N251 HydrophobicContact CD2-CB 3.62Å
240	D	91.9	Very high	88	Confident	73 Å²	73	40.6 Å²	40.6	39%	0.39	20%	0.204	S	C	.	.			trans	-83.6	98.5	173.2	-176.2	-1.5	0	0	0	110.4	S242 N246 L247 S250	D240-S242 VanDerWaalsContact C-N 3.3Å; D240-S242 VanDerWaalsContact CG-OG 3.25Å; D240-S242 PolarHBondContact O-N 3.04Å; D240-S242 WeakPolarHBondContact OD1-CB 3.31Å; D240-S242 PolarHBondContact OD1-N 3.34Å; D240-S242 PolarHBondContact OD1-OG 3.25Å; D240-S242 PolarHBondContact OD2-OG 3.45Å; D240-N246 HydrophobicContact CB-CB 4.02Å; D240-N246 CarbonylContact O-C 3.54Å; D240-N246 WeakPolarHBondContact OD2-CB 3.1Å; D240-L247 WeakPolarHBondContact O-CA 3.37Å; D240-L247 PolarHBondContact O-N 3.39Å; D240-S250 PolarHBondContact N-OG 2.93Å
241	R	92	Very high	88.2	Confident	34 Å²	34	40.1 Å²	40.1	13%	0.128	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.4	13.7	-179.2	-66.1	179.4	-66.9	148	7	114	E170 R195 L233 L239 S243 L247 A365 T367	E170-R241 VanDerWaalsContact CD-NH2 3.3Å; E170-R241 IonicContact OE1-CZ 3.13Å; E170-R241 IonicContact OE1-NH1 3.54Å; E170-R241 PolarHBondContact OE1-NH1 3.42Å; E170-R241 IonicContact OE1-NH2 3.16Å; E170-R241 PolarHBondContact OE1-NH2 3.04Å; E170-R241 VanDerWaalsContact OE1-NH2 3.11Å; E170-R241 IonicContact OE2-CZ 3.83Å; E170-R241 IonicContact OE2-NH1 3.97Å; E170-R241 IonicContact OE2-NH2 2.85Å; E170-R241 PolarHBondContact OE2-NH2 2.76Å; R195-R241 PolarHBondContact NH1-O 2.97Å; L233-R241 PolarHBondContact O-NH1 3.13Å; L239-R241 PolarHBondContact O-N 3.5Å; R241-S243 PolarHBondContact O-N 3.29Å; R241-L247 HydrophobicContact CG-CD1 4.04Å; R241-A365 VanDerWaalsContact CD-O 3.31Å; R241-A365 WeakPolarHBondContact CD-O 3.37Å; R241-T367 PolarHBondContact O-N 3.21Å; R241-T367 PolarHBondContact O-OG1 3.31Å
242	S	92	Very high	88.6	Confident	37 Å²	37	43.3 Å²	43.3	26%	0.259	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-23.2	-177.9	56.5	0	0	0	0	113.5	D240 N246 I272 T367	D240-S242 VanDerWaalsContact C-N 3.3Å; D240-S242 VanDerWaalsContact CG-OG 3.25Å; D240-S242 PolarHBondContact O-N 3.04Å; D240-S242 WeakPolarHBondContact OD1-CB 3.31Å; D240-S242 PolarHBondContact OD1-N 3.34Å; D240-S242 PolarHBondContact OD1-OG 3.25Å; D240-S242 PolarHBondContact OD2-OG 3.45Å; S242-N246 PolarHBondContact OG-ND2 3.1Å; S242-I272 VanDerWaalsContact O-CG2 3.3Å; S242-I272 WeakPolarHBondContact O-CG2 3.1Å; S242-T367 WeakPolarHBondContact O-CB 3.24Å; S242-T367 PolarHBondContact O-OG1 3.26Å
243	S	95.3	Very high	88.8	Confident	2 Å²	2	47.5 Å²	47.5	1%	0.014	25%	0.246	C	C	.	.	S	Bend	trans	-153.8	163.3	169.2	67.7	0	0	0	0	109.8	R241 L245 N246 L247 F269 N368	R241-S243 PolarHBondContact O-N 3.29Å; S243-L245 PolarHBondContact O-N 2.9Å; S243-N246 PolarHBondContact O-N 2.88Å; S243-N246 VanDerWaalsContact OG-CG 3.23Å; S243-N246 PolarHBondContact OG-N 2.69Å; S243-N246 VanDerWaalsContact OG-N 3.17Å; S243-N246 PolarHBondContact OG-ND2 2.79Å; S243-L247 WeakPolarHBondContact O-CB 3.35Å; S243-L247 PolarHBondContact O-N 2.99Å; S243-F269 WeakPolarHBondContact CB-O 3.45Å; S243-N368 WeakPolarHBondContact CA-OD1 3.3Å
244	I	96.5	Very high	89.1	Confident	0 Å²	0	46.9 Å²	46.9	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60.2	-36.4	175.4	-164.8	65.5	0	0	0	110.6	L247 L248 F269 V280 A366 N368 A371	I244-L247 HydrophobicContact CD1-CD2 4.2Å; I244-L247 PolarHBondContact O-N 3.39Å; I244-L248 HydrophobicContact CG1-CD1 4.48Å; I244-L248 WeakPolarHBondContact O-CG 3.29Å; I244-L248 PolarHBondContact O-N 2.77Å; I244-L248 VanDerWaalsContact O-N 3.08Å; I244-F269 HydrophobicContact CG2-CB 3.39Å; I244-F269 HydrophobicContact CG2-CD1 3.85Å; I244-F269 HydrophobicContact CG2-CD2 3.94Å; I244-F269 HydrophobicContact CG2-CG 3.47Å; I244-F269 VanDerWaalsContact CG2-CG 3.47Å; I244-V280 HydrophobicContact CD1-CG2 4.3Å; I244-V280 HydrophobicContact CG1-CG2 3.74Å; I244-A366 HydrophobicContact CB-CB 4.41Å; I244-A366 HydrophobicContact CD1-CB 4.28Å; I244-N368 PolarHBondContact N-OD1 3.25Å; I244-A371 HydrophobicContact CD1-CB 3.93Å
245	L	97.8	Very high	90.2	Very high	9 Å²	9	49.8 Å²	49.8	5%	0.047	26%	0.256	C	S	.	.	H	α-helix	trans	-61.1	-53.5	175.1	-178.8	63.7	0	0	0	111.5	S243 L247 L248 E249 L261 K266 F269 K270	S243-L245 PolarHBondContact O-N 2.9Å; L245-L247 PolarHBondContact O-N 3.02Å; L245-L248 PolarHBondContact O-N 3.18Å; L245-E249 HydrophobicContact CD1-CG 4.1Å; L245-E249 HydrophobicContact CG-CG 4.31Å; L245-E249 WeakPolarHBondContact O-CG 3.47Å; L245-E249 PolarHBondContact O-N 2.7Å; L245-L261 HydrophobicContact CD1-CD1 4.45Å; L245-K266 HydrophobicContact CD1-CB 4.41Å; L245-K266 HydrophobicContact CD1-CG 4.08Å; L245-K266 HydrophobicContact CD2-CB 4.19Å; L245-F269 HydrophobicContact CB-CB 3.81Å; L245-K270 HydrophobicContact CD2-CB 3.92Å; L245-K270 HydrophobicContact CD2-CD 4.4Å; L245-K270 HydrophobicContact CD2-CG 4.47Å
246	N	96.2	Very high	91.6	Very high	36 Å²	36	46.7 Å²	46.7	19%	0.193	24%	0.239	C	C	.	.	H	α-helix	trans	-62.9	-33.1	-177.4	-64.4	-12.8	0	0	0	111.5	D240 S242 S243 E249 S250	D240-N246 HydrophobicContact CB-CB 4.02Å; D240-N246 CarbonylContact O-C 3.54Å; D240-N246 WeakPolarHBondContact OD2-CB 3.1Å; S242-N246 PolarHBondContact OG-ND2 3.1Å; S243-N246 PolarHBondContact O-N 2.88Å; S243-N246 VanDerWaalsContact OG-CG 3.23Å; S243-N246 PolarHBondContact OG-N 2.69Å; S243-N246 VanDerWaalsContact OG-N 3.17Å; S243-N246 PolarHBondContact OG-ND2 2.79Å; N246-E249 PolarHBondContact O-N 3.16Å; N246-S250 VanDerWaalsContact O-CB 3.23Å; N246-S250 WeakPolarHBondContact O-CB 2.91Å; N246-S250 PolarHBondContact O-N 3.46Å; N246-S250 PolarHBondContact O-OG 3.05Å
247	L	95.7	Very high	93.1	Very high	2 Å²	2	43.7 Å²	43.7	1%	0.01	22%	0.224	C	C	.	.	H	α-helix	trans	-63.3	-45.7	175.1	171.8	59	0	0	0	110.6	L239 D240 R241 S243 I244 L245 S250 N251 L364 A366 A371	L239-L247 HydrophobicContact CB-CD1 4.06Å; L239-L247 HydrophobicContact CD1-CD1 3.86Å; D240-L247 WeakPolarHBondContact O-CA 3.37Å; D240-L247 PolarHBondContact O-N 3.39Å; R241-L247 HydrophobicContact CG-CD1 4.04Å; S243-L247 WeakPolarHBondContact O-CB 3.35Å; S243-L247 PolarHBondContact O-N 2.99Å; I244-L247 HydrophobicContact CD1-CD2 4.2Å; I244-L247 PolarHBondContact O-N 3.39Å; L245-L247 PolarHBondContact O-N 3.02Å; L247-S250 PolarHBondContact O-OG 3.1Å; L247-N251 VanDerWaalsContact O-CB 3.26Å; L247-N251 WeakPolarHBondContact O-CB 3.28Å; L247-N251 PolarHBondContact O-N 3.3Å; L247-L364 HydrophobicContact CD2-CB 3.94Å; L247-L364 VanDerWaalsContact CD2-O 3.23Å; L247-L364 WeakPolarHBondContact CD2-O 3.46Å; L247-A366 HydrophobicContact CB-CB 4.28Å; L247-A366 HydrophobicContact CD2-CB 3.89Å; L247-A371 HydrophobicContact CD2-CB 4.37Å
248	L	97.2	Very high	94.4	Very high	1 Å²	1	36.8 Å²	36.8	1%	0.005	20%	0.198	C	C	.	.	H	α-helix	trans	-69.4	-36.9	179.1	-60.8	174.9	0	0	0	112.3	I244 L245 T254 Q255 F257 A258 L261 V280 V282 A371	I244-L248 HydrophobicContact CG1-CD1 4.48Å; I244-L248 WeakPolarHBondContact O-CG 3.29Å; I244-L248 PolarHBondContact O-N 2.77Å; I244-L248 VanDerWaalsContact O-N 3.08Å; L245-L248 PolarHBondContact O-N 3.18Å; L248-T254 WeakPolarHBondContact CA-OG1 3.48Å; L248-T254 HydrophobicContact CD2-CG2 4.28Å; L248-T254 CarbonylContact O-C 3.56Å; L248-T254 PolarHBondContact O-OG1 2.83Å; L248-T254 VanDerWaalsContact O-OG1 3.09Å; L248-Q255 WeakPolarHBondContact O-CA 3.1Å; L248-Q255 PolarHBondContact O-N 2.84Å; L248-F257 HydrophobicContact CD1-CD1 4.45Å; L248-F257 HydrophobicContact CD1-CE1 4.49Å; L248-A258 HydrophobicContact CB-CB 3.74Å; L248-L261 HydrophobicContact CD1-CD1 4.43Å; L248-V280 HydrophobicContact CD1-CG1 4.32Å; L248-V282 HydrophobicContact CD2-CB 4.5Å; L248-V282 HydrophobicContact CD2-CG1 4.42Å; L248-V282 HydrophobicContact CD2-CG2 3.52Å; L248-A371 HydrophobicContact CD2-CB 3.98Å
249	E	96.8	Very high	95	Very high	74 Å²	74	34.5 Å²	34.5	35%	0.346	18%	0.18	S	C	.	.	H	α-helix	trans	-73.8	-34.9	-179.7	-71.2	-179.3	150.8	0	0	113.3	L245 N246 Q255 A258	L245-E249 HydrophobicContact CD1-CG 4.1Å; L245-E249 HydrophobicContact CG-CG 4.31Å; L245-E249 WeakPolarHBondContact O-CG 3.47Å; L245-E249 PolarHBondContact O-N 2.7Å; N246-E249 PolarHBondContact O-N 3.16Å; E249-Q255 PolarHBondContact O-NE2 3.11Å; E249-A258 HydrophobicContact CG-CB 3.88Å
250	S	95.3	Very high	95.2	Very high	40 Å²	40	35.3 Å²	35.3	28%	0.28	19%	0.185	S	C	.	.	H	α-helix	trans	-82.8	-16.1	179.8	61.6	0	0	0	0	113.7	L239 D240 N246 L247 P252	L239-S250 WeakPolarHBondContact CD2-O 3.46Å; D240-S250 PolarHBondContact N-OG 2.93Å; N246-S250 VanDerWaalsContact O-CB 3.23Å; N246-S250 WeakPolarHBondContact O-CB 2.91Å; N246-S250 PolarHBondContact O-N 3.46Å; N246-S250 PolarHBondContact O-OG 3.05Å; L247-S250 PolarHBondContact O-OG 3.1Å; S250-P252 WeakPolarHBondContact O-CD 3.29Å
251	N	95.3	Very high	95.4	Very high	13 Å²	13	32 Å²	32	7%	0.07	17%	0.167	C	C	.	.			trans	-89.9	116.9	177.5	-176.9	-7.8	0	0	0	111.1	L239 L247 E253 T254 Q255	L239-N251 HydrophobicContact CD1-CB 4.33Å; L239-N251 VanDerWaalsContact CD2-CA 3.48Å; L239-N251 HydrophobicContact CD2-CB 3.62Å; L247-N251 VanDerWaalsContact O-CB 3.26Å; L247-N251 WeakPolarHBondContact O-CB 3.28Å; L247-N251 PolarHBondContact O-N 3.3Å; N251-E253 PolarHBondContact O-N 3.18Å; N251-E253 VanDerWaalsContact O-N 3.1Å; N251-E253 PolarHBondContact OD1-N 2.81Å; N251-T254 WeakPolarHBondContact CB-OG1 2.92Å; N251-T254 PolarHBondContact O-N 2.8Å; N251-Q255 PolarHBondContact O-N 3.04Å
252	P	94.8	Very high	95.5	Very high	97 Å²	97	31.4 Å²	31.4	63%	0.63	17%	0.168	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-26.6	179	-25.5	35.1	0	0	0	114.7	S250 Q285	S250-P252 WeakPolarHBondContact O-CD 3.29Å; P252-Q285 PolarHBondContact O-OE1 3.31Å
253	E	94.6	Very high	95.6	Very high	95 Å²	95	35.3 Å²	35.3	44%	0.444	18%	0.182	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-15.1	179.9	-65.9	-169.6	-175.3	0	0	113.7	N251 N284 Q285 I373	N251-E253 PolarHBondContact O-N 3.18Å; N251-E253 VanDerWaalsContact O-N 3.1Å; N251-E253 PolarHBondContact OD1-N 2.81Å; E253-N284 CarbonylContact O-C 3.43Å; E253-N284 WeakPolarHBondContact O-CA 2.88Å; E253-Q285 WeakPolarHBondContact O-CA 3.4Å; E253-Q285 PolarHBondContact O-N 3.49Å; E253-I373 HydrophobicContact CB-CD1 4.06Å; E253-I373 VanDerWaalsContact OE2-CD1 3.29Å; E253-I373 WeakPolarHBondContact OE2-CD1 3.46Å
254	T	96.1	Very high	95.6	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.6	-1.4	-175.3	58.5	0	0	0	0	113.5	L248 N251 A256 F257 A258 V282 I373	L248-T254 WeakPolarHBondContact CA-OG1 3.48Å; L248-T254 HydrophobicContact CD2-CG2 4.28Å; L248-T254 CarbonylContact O-C 3.56Å; L248-T254 PolarHBondContact O-OG1 2.83Å; L248-T254 VanDerWaalsContact O-OG1 3.09Å; N251-T254 WeakPolarHBondContact CB-OG1 2.92Å; N251-T254 PolarHBondContact O-N 2.8Å; T254-A256 PolarHBondContact O-N 3.08Å; T254-F257 WeakPolarHBondContact O-CB 3.25Å; T254-F257 PolarHBondContact O-N 2.96Å; T254-A258 PolarHBondContact O-N 2.72Å; T254-V282 HydrophobicContact CG2-CB 3.88Å; T254-V282 HydrophobicContact CG2-CG1 3.51Å; T254-V282 HydrophobicContact CG2-CG2 4.42Å; T254-I373 HydrophobicContact CG2-CD1 4Å; T254-I373 HydrophobicContact CG2-CG1 4Å
255	Q	96	Very high	95.4	Very high	73 Å²	73	41.3 Å²	41.3	34%	0.341	22%	0.216	S	C	.	.	H	α-helix	trans	-61.9	-37	-175.5	-172.7	-178.1	83.4	0	0	113.4	L248 E249 N251 A258 K259	L248-Q255 WeakPolarHBondContact O-CA 3.1Å; L248-Q255 PolarHBondContact O-N 2.84Å; E249-Q255 PolarHBondContact O-NE2 3.11Å; N251-Q255 PolarHBondContact O-N 3.04Å; Q255-A258 PolarHBondContact O-N 3.11Å; Q255-K259 HydrophobicContact CG-CD 4.42Å; Q255-K259 WeakPolarHBondContact O-CG 3.28Å; Q255-K259 PolarHBondContact O-N 3.46Å; Q255-K259 VanDerWaalsContact O-N 3.09Å
256	A	95.6	Very high	95.4	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.1	-41.3	176.9	0	0	0	0	0	112.2	T254 A258 K259 D260 Q285 E289	T254-A256 PolarHBondContact O-N 3.08Å; A256-A258 VanDerWaalsContact C-N 3.34Å; A256-K259 PolarHBondContact O-N 3.25Å; A256-D260 PolarHBondContact O-N 2.87Å; A256-Q285 VanDerWaalsContact CB-CD 3.45Å; A256-Q285 VanDerWaalsContact CB-NE2 3.34Å; A256-E289 HydrophobicContact CB-CG 4.24Å
257	F	97.1	Very high	95.4	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	24%	0.238	C	C	.	.	H	α-helix	trans	-60.8	-46.1	174.2	177.6	-90.7	0	0	0	110.8	L248 T254 K259 D260 L261 V280 V282 W288 A304 H307	L248-F257 HydrophobicContact CD1-CD1 4.45Å; L248-F257 HydrophobicContact CD1-CE1 4.49Å; T254-F257 WeakPolarHBondContact O-CB 3.25Å; T254-F257 PolarHBondContact O-N 2.96Å; F257-K259 VanDerWaalsContact C-N 3.28Å; F257-K259 PolarHBondContact O-N 3.28Å; F257-D260 PolarHBondContact O-N 2.81Å; F257-L261 HydrophobicContact CD1-CD2 4.39Å; F257-L261 HydrophobicContact CD1-CG 4.45Å; F257-L261 HydrophobicContact CE1-CD1 4.4Å; F257-L261 HydrophobicContact CE1-CD2 3.71Å; F257-L261 HydrophobicContact CE1-CG 4.22Å; F257-L261 HydrophobicContact CZ-CD2 4Å; F257-L261 PolarHBondContact O-N 3.48Å; F257-V280 HydrophobicContact CE1-CG1 3.78Å; F257-V280 HydrophobicContact CZ-CG1 4.17Å; F257-V282 HydrophobicContact CB-CG1 3.7Å; F257-V282 HydrophobicContact CD1-CG1 3.65Å; F257-V282 HydrophobicContact CD1-CG2 4.47Å; F257-V282 HydrophobicContact CD2-CG1 4.27Å; F257-V282 HydrophobicContact CE1-CG1 4.33Å; F257-V282 HydrophobicContact CG-CG1 3.61Å; F257-W288 HydrophobicContact CB-CD2 4.29Å; F257-W288 HydrophobicContact CB-CG 4.25Å; F257-W288 AromaticContact CD2-CD2 3.88Å; F257-W288 HydrophobicContact CD2-CD2 3.88Å; F257-W288 AromaticContact CD2-CE2 3.96Å; F257-W288 AromaticContact CD2-CE3 3.77Å; F257-W288 HydrophobicContact CD2-CE3 3.77Å; F257-W288 AromaticContact CD2-CH2 3.85Å; F257-W288 HydrophobicContact CD2-CH2 3.85Å; F257-W288 AromaticContact CD2-CZ2 3.96Å; F257-W288 HydrophobicContact CD2-CZ2 3.96Å; F257-W288 AromaticContact CD2-CZ3 3.74Å; F257-W288 HydrophobicContact CD2-CZ3 3.74Å; F257-W288 HydrophobicContact CE2-CE3 4.44Å; F257-W288 AromaticContact CE2-CH2 3.99Å; F257-W288 HydrophobicContact CE2-CH2 3.99Å; F257-W288 HydrophobicContact CE2-CZ2 4.44Å; F257-W288 AromaticContact CE2-CZ3 3.99Å; F257-W288 HydrophobicContact CE2-CZ3 3.99Å; F257-A304 HydrophobicContact CE2-CB 4.01Å; F257-A304 HydrophobicContact CZ-CB 4.19Å; F257-H307 HydrophobicContact CE2-CB 3.97Å; F257-H307 HydrophobicContact CZ-CB 3.88Å
258	A	96.6	Very high	95.5	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-57.5	-39.7	179.2	0	0	0	0	0	113.1	L248 E249 T254 Q255 A256 D260 L261 K266	L248-A258 HydrophobicContact CB-CB 3.74Å; E249-A258 HydrophobicContact CG-CB 3.88Å; T254-A258 PolarHBondContact O-N 2.72Å; Q255-A258 PolarHBondContact O-N 3.11Å; A256-A258 VanDerWaalsContact C-N 3.34Å; A258-D260 VanDerWaalsContact C-N 3.32Å; A258-D260 PolarHBondContact O-N 2.8Å; A258-L261 WeakPolarHBondContact O-CB 3.34Å; A258-L261 PolarHBondContact O-N 2.8Å; A258-K266 WeakPolarHBondContact O-CE 3.44Å
259	K	93.7	Very high	95.5	Very high	111 Å²	111	48.8 Å²	48.8	48%	0.483	25%	0.254	S	S	.	.	H	α-helix	trans	-62.9	-37.9	-179.8	-77.2	170.1	179.8	165.3	0	112.6	Q255 A256 F257 K266	Q255-K259 HydrophobicContact CG-CD 4.42Å; Q255-K259 WeakPolarHBondContact O-CG 3.28Å; Q255-K259 PolarHBondContact O-N 3.46Å; Q255-K259 VanDerWaalsContact O-N 3.09Å; A256-K259 PolarHBondContact O-N 3.25Å; F257-K259 VanDerWaalsContact C-N 3.28Å; F257-K259 PolarHBondContact O-N 3.28Å; K259-K266 PolarHBondContact O-NZ 3.49Å; K259-K266 VanDerWaalsContact O-NZ 3.11Å
260	D	93.4	Very high	95.5	Very high	44 Å²	44	51.5 Å²	51.5	24%	0.235	27%	0.265	C	S	.	.	H	α-helix	trans	-88.6	-3.4	-175.1	-64	-20	0	0	0	113.8	A256 F257 A258 W288 R292	A256-D260 PolarHBondContact O-N 2.87Å; F257-D260 PolarHBondContact O-N 2.81Å; A258-D260 VanDerWaalsContact C-N 3.32Å; A258-D260 PolarHBondContact O-N 2.8Å; D260-W288 HydrophobicContact CB-CZ2 4.23Å; D260-W288 PolarHBondContact OD2-NE1 3.43Å; D260-R292 WeakPolarHBondContact OD2-CD 3.31Å; D260-R292 WeakPolarHBondContact OD2-CG 3.1Å
261	L	94.4	Very high	95.5	Very high	4 Å²	4	53 Å²	53	2%	0.021	27%	0.27	C	S	.	.	S	Bend	trans	-56.8	141.4	169.3	-70	174.8	0	0	0	110.5	L245 L248 F257 A258 F265 K266 F269 A304	L245-L261 HydrophobicContact CD1-CD1 4.45Å; L248-L261 HydrophobicContact CD1-CD1 4.43Å; F257-L261 HydrophobicContact CD1-CD2 4.39Å; F257-L261 HydrophobicContact CD1-CG 4.45Å; F257-L261 HydrophobicContact CE1-CD1 4.4Å; F257-L261 HydrophobicContact CE1-CD2 3.71Å; F257-L261 HydrophobicContact CE1-CG 4.22Å; F257-L261 HydrophobicContact CZ-CD2 4Å; F257-L261 PolarHBondContact O-N 3.48Å; A258-L261 WeakPolarHBondContact O-CB 3.34Å; A258-L261 PolarHBondContact O-N 2.8Å; L261-F265 HydrophobicContact CB-CB 4.3Å; L261-F265 HydrophobicContact CD2-CB 4.32Å; L261-F265 HydrophobicContact CD2-CD2 4.42Å; L261-K266 HydrophobicContact CB-CG 3.98Å; L261-K266 WeakPolarHBondContact O-CE 3.39Å; L261-K266 PolarHBondContact O-NZ 3.12Å; L261-F269 HydrophobicContact CD1-CD2 3.69Å; L261-F269 HydrophobicContact CD1-CE2 3.72Å; L261-F269 HydrophobicContact CD2-CE2 4.26Å; L261-A304 HydrophobicContact CD2-CB 4.22Å
262	S	94	Very high	95.4	Very high	21 Å²	21	56 Å²	56	15%	0.147	29%	0.285	C	S	.	.			trans	-62.5	154.2	172.7	74.8	0	0	0	0	111	V264 F265 K266	S262-V264 PolarHBondContact O-N 3.15Å; S262-F265 PolarHBondContact O-N 3.01Å; S262-F265 WeakPolarHBondContact OG-CD2 3.44Å; S262-F265 WeakPolarHBondContact OG-CG 2.89Å; S262-F265 PolarHBondContact OG-N 3.23Å; S262-K266 PolarHBondContact O-N 3.37Å
263	E	94.9	Very high	95.3	Very high	120 Å²	120	58.3 Å²	58.3	56%	0.561	29%	0.292	S	S	*	.	H	α-helix	trans	-59.6	-31	178.2	-67.5	-55.6	124.5	0	0	112.5	K266 N267	E263-K266 PolarHBondContact O-N 2.9Å; E263-K266 WeakPolarHBondContact OE1-CD 3.22Å; E263-K266 IonicContact OE1-NZ 3.49Å; E263-K266 PolarHBondContact OE1-NZ 2.59Å; E263-N267 WeakPolarHBondContact O-CB 3.26Å; E263-N267 VanDerWaalsContact O-CG 3.26Å; E263-N267 PolarHBondContact O-N 3.46Å; E263-N267 PolarHBondContact O-ND2 2.71Å; E263-N267 VanDerWaalsContact O-ND2 3.1Å
264	V	94.3	Very high	95.2	Very high	94 Å²	94	56.5 Å²	56.5	57%	0.57	29%	0.29	S	S	*	.	H	α-helix	trans	-62.9	-47.4	173	178.8	0	0	0	0	110.6	S262 N267 N268	S262-V264 PolarHBondContact O-N 3.15Å; V264-N267 PolarHBondContact O-N 3.5Å; V264-N268 WeakPolarHBondContact O-CB 3.43Å; V264-N268 VanDerWaalsContact O-CG 3.24Å; V264-N268 PolarHBondContact O-N 3.44Å; V264-N268 PolarHBondContact O-ND2 3.49Å
265	F	93.8	Very high	94.9	Very high	33 Å²	33	59.2 Å²	59.2	15%	0.145	32%	0.318	C	S	.	.	H	α-helix	trans	-65.6	-42.6	177.4	-68	-43.4	0	0	0	112.1	L261 S262 N267 N268 F269 A305 L328	L261-F265 HydrophobicContact CB-CB 4.3Å; L261-F265 HydrophobicContact CD2-CB 4.32Å; L261-F265 HydrophobicContact CD2-CD2 4.42Å; S262-F265 PolarHBondContact O-N 3.01Å; S262-F265 WeakPolarHBondContact OG-CD2 3.44Å; S262-F265 WeakPolarHBondContact OG-CG 2.89Å; S262-F265 PolarHBondContact OG-N 3.23Å; F265-N267 VanDerWaalsContact C-N 3.34Å; F265-N267 PolarHBondContact O-N 3.32Å; F265-N268 PolarHBondContact O-N 2.78Å; F265-F269 WeakPolarHBondContact O-CB 3.42Å; F265-F269 WeakPolarHBondContact O-CG 3.04Å; F265-F269 PolarHBondContact O-N 2.98Å; F265-A305 HydrophobicContact CE2-CB 3.81Å; F265-A305 HydrophobicContact CZ-CB 3.7Å; F265-L328 HydrophobicContact CD1-CD1 4.24Å; F265-L328 HydrophobicContact CE1-CD1 3.62Å; F265-L328 HydrophobicContact CZ-CD1 4.39Å
266	K	96.9	Very high	94.8	Very high	39 Å²	39	58.7 Å²	58.7	17%	0.17	32%	0.315	C	S	.	.	H	α-helix	trans	-57.7	-46.5	175.8	-68.9	178.1	-175.8	159.7	0	111.5	L245 A258 K259 L261 S262 E263 N268 F269 K270	L245-K266 HydrophobicContact CD1-CB 4.41Å; L245-K266 HydrophobicContact CD1-CG 4.08Å; L245-K266 HydrophobicContact CD2-CB 4.19Å; A258-K266 WeakPolarHBondContact O-CE 3.44Å; K259-K266 PolarHBondContact O-NZ 3.49Å; K259-K266 VanDerWaalsContact O-NZ 3.11Å; L261-K266 HydrophobicContact CB-CG 3.98Å; L261-K266 WeakPolarHBondContact O-CE 3.39Å; L261-K266 PolarHBondContact O-NZ 3.12Å; S262-K266 PolarHBondContact O-N 3.37Å; E263-K266 PolarHBondContact O-N 2.9Å; E263-K266 WeakPolarHBondContact OE1-CD 3.22Å; E263-K266 IonicContact OE1-NZ 3.49Å; E263-K266 PolarHBondContact OE1-NZ 2.59Å; K266-N268 PolarHBondContact O-N 2.8Å; K266-F269 PolarHBondContact O-N 3.16Å; K266-K270 VanDerWaalsContact O-CB 3.27Å; K266-K270 WeakPolarHBondContact O-CB 3.08Å; K266-K270 PolarHBondContact O-N 3.31Å
267	N	97.4	Very high	94.9	Very high	101 Å²	101	59.4 Å²	59.4	54%	0.54	32%	0.318	S	S	.	.	H	α-helix	trans	-62.7	-44.2	177.7	-74.1	-32.3	0	0	0	112.3	E263 V264 F265 K270 N271	E263-N267 WeakPolarHBondContact O-CB 3.26Å; E263-N267 VanDerWaalsContact O-CG 3.26Å; E263-N267 PolarHBondContact O-N 3.46Å; E263-N267 PolarHBondContact O-ND2 2.71Å; E263-N267 VanDerWaalsContact O-ND2 3.1Å; V264-N267 PolarHBondContact O-N 3.5Å; F265-N267 VanDerWaalsContact C-N 3.34Å; F265-N267 PolarHBondContact O-N 3.32Å; N267-K270 PolarHBondContact O-N 3.3Å; N267-N271 WeakPolarHBondContact O-CB 3.26Å; N267-N271 PolarHBondContact O-N 2.77Å; N267-N271 VanDerWaalsContact O-N 3.11Å
268	N	96.4	Very high	94.9	Very high	66 Å²	66	60.1 Å²	60.1	35%	0.353	32%	0.321	S	S	.	.	H	α-helix	trans	-63.6	-44.9	177.3	-72.4	-13.5	0	0	0	111.9	V264 F265 K266 K270 N271	V264-N268 WeakPolarHBondContact O-CB 3.43Å; V264-N268 VanDerWaalsContact O-CG 3.24Å; V264-N268 PolarHBondContact O-N 3.44Å; V264-N268 PolarHBondContact O-ND2 3.49Å; F265-N268 PolarHBondContact O-N 2.78Å; K266-N268 PolarHBondContact O-N 2.8Å; N268-K270 VanDerWaalsContact C-N 3.33Å; N268-K270 PolarHBondContact O-N 2.93Å; N268-N271 PolarHBondContact O-N 3.26Å
269	F	97.3	Very high	95	Very high	0 Å²	0	60.1 Å²	60.1	0%	0	32%	0.321	C	S	.	.	H	α-helix	trans	-69.4	-29.9	-179	-75.2	3.8	0	0	0	113	S243 I244 L245 L261 F265 K266 Y278 V280 V308 N368	S243-F269 WeakPolarHBondContact CB-O 3.45Å; I244-F269 HydrophobicContact CG2-CB 3.39Å; I244-F269 HydrophobicContact CG2-CD1 3.85Å; I244-F269 HydrophobicContact CG2-CD2 3.94Å; I244-F269 HydrophobicContact CG2-CG 3.47Å; I244-F269 VanDerWaalsContact CG2-CG 3.47Å; L245-F269 HydrophobicContact CB-CB 3.81Å; L261-F269 HydrophobicContact CD1-CD2 3.69Å; L261-F269 HydrophobicContact CD1-CE2 3.72Å; L261-F269 HydrophobicContact CD2-CE2 4.26Å; F265-F269 WeakPolarHBondContact O-CB 3.42Å; F265-F269 WeakPolarHBondContact O-CG 3.04Å; F265-F269 PolarHBondContact O-N 2.98Å; K266-F269 PolarHBondContact O-N 3.16Å; F269-Y278 HydrophobicContact CD1-CD1 4.4Å; F269-Y278 AromaticContact CD1-CD2 3.89Å; F269-Y278 HydrophobicContact CD1-CD2 3.89Å; F269-Y278 HydrophobicContact CD1-CE2 4.03Å; F269-Y278 HydrophobicContact CD1-CG 4.08Å; F269-Y278 AromaticContact CE1-CD1 3.8Å; F269-Y278 HydrophobicContact CE1-CD1 3.8Å; F269-Y278 HydrophobicContact CE1-CD2 4.05Å; F269-Y278 HydrophobicContact CE1-CE1 4.13Å; F269-Y278 HydrophobicContact CE1-CE2 4.37Å; F269-Y278 AromaticContact CE1-CG 3.75Å; F269-Y278 HydrophobicContact CE1-CG 3.75Å; F269-V280 HydrophobicContact CE2-CG2 4.04Å; F269-V280 HydrophobicContact CZ-CG2 3.89Å; F269-V308 HydrophobicContact CE1-CG1 3.84Å; F269-V308 HydrophobicContact CE2-CG2 4.36Å; F269-V308 HydrophobicContact CZ-CB 4.29Å; F269-V308 HydrophobicContact CZ-CG1 3.57Å; F269-V308 HydrophobicContact CZ-CG2 3.65Å; F269-N368 PolarHBondContact O-ND2 2.92Å
270	K	96.6	Very high	95.2	Very high	131 Å²	131	54.9 Å²	54.9	57%	0.57	30%	0.298	S	S	*	.	H	α-helix	trans	-76.2	-27.5	173.2	-169	172.8	-178.7	174	0	112.9	L245 K266 N267 N268 I272	L245-K270 HydrophobicContact CD2-CB 3.92Å; L245-K270 HydrophobicContact CD2-CD 4.4Å; L245-K270 HydrophobicContact CD2-CG 4.47Å; K266-K270 VanDerWaalsContact O-CB 3.27Å; K266-K270 WeakPolarHBondContact O-CB 3.08Å; K266-K270 PolarHBondContact O-N 3.31Å; N267-K270 PolarHBondContact O-N 3.3Å; N268-K270 VanDerWaalsContact C-N 3.33Å; N268-K270 PolarHBondContact O-N 2.93Å; K270-I272 PolarHBondContact O-N 2.87Å
271	N	95.9	Very high	95.4	Very high	72 Å²	72	52.8 Å²	52.8	39%	0.385	29%	0.287	S	S	.	.			trans	-80.2	85.1	-173.3	-173.4	6.1	0	0	0	113	N267 N268 N273 S274	N267-N271 WeakPolarHBondContact O-CB 3.26Å; N267-N271 PolarHBondContact O-N 2.77Å; N267-N271 VanDerWaalsContact O-N 3.11Å; N268-N271 PolarHBondContact O-N 3.26Å; N271-N273 PolarHBondContact O-N 3.04Å; N271-N273 PolarHBondContact OD1-N 3.16Å; N271-N273 VanDerWaalsContact OD1-N 3.13Å; N271-S274 PolarHBondContact O-N 3.23Å; N271-S274 PolarHBondContact O-OG 3.26Å; N271-S274 PolarHBondContact OD1-N 3.02Å
272	I	92.7	Very high	95.6	Very high	75 Å²	75	52.6 Å²	52.6	39%	0.385	29%	0.286	S	S	.	.	G	3₁₀ helix	trans	-65.4	-20.2	174.9	62.4	172.6	0	0	0	114.2	S242 K270 S274 T367 N368	S242-I272 VanDerWaalsContact O-CG2 3.3Å; S242-I272 WeakPolarHBondContact O-CG2 3.1Å; K270-I272 PolarHBondContact O-N 2.87Å; I272-S274 VanDerWaalsContact C-N 3.34Å; I272-T367 HydrophobicContact CB-CG2 4.42Å; I272-T367 HydrophobicContact CG2-CG2 4.27Å; I272-N368 HydrophobicContact CG2-CB 4.34Å
273	N	92.7	Very high	95.8	Very high	145 Å²	145	51.6 Å²	51.6	78%	0.775	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-86.7	-6.7	-176.1	-64.9	-34.9	0	0	0	112.9	N271 G275	N271-N273 PolarHBondContact O-N 3.04Å; N271-N273 PolarHBondContact OD1-N 3.16Å; N271-N273 VanDerWaalsContact OD1-N 3.13Å; N273-G275 PolarHBondContact O-N 3.31Å
274	S	92.8	Very high	95.8	Very high	58 Å²	58	47.7 Å²	47.7	41%	0.406	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-65.4	-21	177.7	61.8	0	0	0	0	113.4	N271 I272 Q276	N271-S274 PolarHBondContact O-N 3.23Å; N271-S274 PolarHBondContact O-OG 3.26Å; N271-S274 PolarHBondContact OD1-N 3.02Å; I272-S274 VanDerWaalsContact C-N 3.34Å; S274-Q276 PolarHBondContact O-N 3.28Å; S274-Q276 VanDerWaalsContact O-N 3.12Å; S274-Q276 PolarHBondContact OG-N 2.91Å
275	G	90.1	Very high	95.8	Very high	57 Å²	57	45.2 Å²	45.2	59%	0.588	24%	0.244	S	C	*	.			trans	72.3	-11.7	-168.6	0	0	0	0	0	113.7	N273	N273-G275 PolarHBondContact O-N 3.31Å
276	Q	95.2	Very high	96	Very high	62 Å²	62	50.9 Å²	50.9	29%	0.29	27%	0.268	S	S	.	.			trans	-72.3	136.8	177.6	-171.7	56.9	57.4	0	0	110.1	S274 Y278 L310	S274-Q276 PolarHBondContact O-N 3.28Å; S274-Q276 VanDerWaalsContact O-N 3.12Å; S274-Q276 PolarHBondContact OG-N 2.91Å; Q276-Y278 HydrophobicContact CB-CE2 4.26Å; Q276-Y278 HydrophobicContact CG-CE1 3.9Å; Q276-Y278 HydrophobicContact CG-CE2 3.89Å; Q276-Y278 VanDerWaalsContact CG-CZ 3.47Å; Q276-Y278 WeakPolarHBondContact CG-OH 3.27Å; Q276-L310 HydrophobicContact CG-CD2 4.41Å
277	R	96.5	Very high	95.9	Very high	14 Å²	14	50.1 Å²	50.1	5%	0.053	27%	0.267	C	S	.	.			trans	-112.9	152.5	173.1	-55	-171.3	76.5	77.5	0.7	111	Y198 N311 Q312 A366 T367 N368	Y198-R277 VanDerWaalsContact CE2-CD 3.41Å; Y198-R277 VanDerWaalsContact CG-CZ 3.42Å; R277-N311 WeakPolarHBondContact O-CA 3.47Å; R277-N311 PolarHBondContact O-N 3.1Å; R277-Q312 HydrophobicContact CB-CB 4.3Å; R277-A366 PolarHBondContact NH2-O 2.78Å; R277-T367 PolarHBondContact NH1-O 3.02Å; R277-T367 PolarHBondContact NH2-O 3.23Å; R277-N368 VanDerWaalsContact CA-O 3.25Å; R277-N368 WeakPolarHBondContact CA-O 3.06Å
278	Y	97.7	Very high	95.9	Very high	16 Å²	16	45.3 Å²	45.3	6%	0.063	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	151	-178.7	-58.7	-81	0	0	0	111.5	F269 Q276 V308 L309 L310 N311 N368 G369 V370	F269-Y278 HydrophobicContact CD1-CD1 4.4Å; F269-Y278 AromaticContact CD1-CD2 3.89Å; F269-Y278 HydrophobicContact CD1-CD2 3.89Å; F269-Y278 HydrophobicContact CD1-CE2 4.03Å; F269-Y278 HydrophobicContact CD1-CG 4.08Å; F269-Y278 AromaticContact CE1-CD1 3.8Å; F269-Y278 HydrophobicContact CE1-CD1 3.8Å; F269-Y278 HydrophobicContact CE1-CD2 4.05Å; F269-Y278 HydrophobicContact CE1-CE1 4.13Å; F269-Y278 HydrophobicContact CE1-CE2 4.37Å; F269-Y278 AromaticContact CE1-CG 3.75Å; F269-Y278 HydrophobicContact CE1-CG 3.75Å; Q276-Y278 HydrophobicContact CB-CE2 4.26Å; Q276-Y278 HydrophobicContact CG-CE1 3.9Å; Q276-Y278 HydrophobicContact CG-CE2 3.89Å; Q276-Y278 VanDerWaalsContact CG-CZ 3.47Å; Q276-Y278 WeakPolarHBondContact CG-OH 3.27Å; Y278-V308 HydrophobicContact CD1-CG1 4.05Å; Y278-L309 WeakPolarHBondContact CA-O 3.16Å; Y278-L310 HydrophobicContact CD1-CD2 4.41Å; Y278-L310 HydrophobicContact CE1-CD2 4.03Å; Y278-N311 CarbonylContact C-O 3.43Å; Y278-N368 PolarHBondContact N-O 2.74Å; Y278-N368 VanDerWaalsContact N-O 3.17Å; Y278-G369 CarbonylContact O-C 3.56Å; Y278-G369 WeakPolarHBondContact O-CA 3.44Å; Y278-V370 PolarHBondContact O-N 2.93Å
279	T	98.1	Very high	95.9	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	122.3	162.8	-59.1	0	0	0	0	107.1	I281 L309 N311 Q312 H313 V370	T279-I281 HydrophobicContact CG2-CD1 4.06Å; T279-L309 HydrophobicContact CG2-CD1 4.3Å; T279-L309 PolarHBondContact N-O 2.72Å; T279-L309 PolarHBondContact O-N 2.91Å; T279-N311 PolarHBondContact N-O 3.05Å; T279-N311 PolarHBondContact OG1-O 2.9Å; T279-Q312 WeakPolarHBondContact OG1-CA 3.36Å; T279-H313 HydrophobicContact CG2-CB 4.26Å; T279-H313 PolarHBondContact OG1-N 3.43Å; T279-V370 CarbonylContact C-O 3.4Å; T279-V370 WeakPolarHBondContact CA-O 3.43Å; T279-V370 HydrophobicContact CG2-CG1 3.98Å
280	V	98.2	Very high	95.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	116.3	178.7	-166.3	0	0	0	0	108.6	I244 L248 F257 F269 V282 H307 V308 V370 A371 H372	I244-V280 HydrophobicContact CD1-CG2 4.3Å; I244-V280 HydrophobicContact CG1-CG2 3.74Å; L248-V280 HydrophobicContact CD1-CG1 4.32Å; F257-V280 HydrophobicContact CE1-CG1 3.78Å; F257-V280 HydrophobicContact CZ-CG1 4.17Å; F269-V280 HydrophobicContact CE2-CG2 4.04Å; F269-V280 HydrophobicContact CZ-CG2 3.89Å; V280-V282 HydrophobicContact CB-CG2 3.96Å; V280-V282 HydrophobicContact CG1-CG2 3.45Å; V280-V282 VanDerWaalsContact CG1-CG2 3.45Å; V280-H307 WeakPolarHBondContact CA-O 2.99Å; V280-V308 HydrophobicContact CG1-CG2 4.4Å; V280-V370 PolarHBondContact N-O 3.22Å; V280-A371 CarbonylContact O-C 3.49Å; V280-A371 VanDerWaalsContact O-CA 3.25Å; V280-A371 WeakPolarHBondContact O-CA 3.08Å; V280-H372 PolarHBondContact O-N 2.79Å
281	I	98.1	Very high	95.7	Very high	0 Å²	0	45.1 Å²	45.1	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	107.6	171.7	-52.1	-55.2	0	0	0	106.2	T279 H307 L309 F335 I359 H372 I374 L378	T279-I281 HydrophobicContact CG2-CD1 4.06Å; I281-H307 PolarHBondContact N-O 3.16Å; I281-H307 WeakPolarHBondContact O-CB 3.32Å; I281-H307 PolarHBondContact O-CD2 3.17Å; I281-L309 HydrophobicContact CG1-CD1 3.82Å; I281-F335 HydrophobicContact CD1-CE1 3.82Å; I281-F335 HydrophobicContact CD1-CZ 3.97Å; I281-F335 HydrophobicContact CG1-CE1 4.33Å; I281-F335 HydrophobicContact CG1-CZ 4.03Å; I281-I359 HydrophobicContact CD1-CD1 4.5Å; I281-H372 CarbonylContact C-O 3.42Å; I281-H372 WeakPolarHBondContact CA-O 3.48Å; I281-H372 HydrophobicContact CD1-CB 3.84Å; I281-I374 HydrophobicContact CG2-CB 3.8Å; I281-I374 HydrophobicContact CG2-CD1 3.81Å; I281-I374 HydrophobicContact CG2-CG1 4.42Å; I281-I374 HydrophobicContact CG2-CG2 3.7Å; I281-L378 HydrophobicContact CB-CD1 4.35Å; I281-L378 HydrophobicContact CG2-CD1 4.08Å
282	V	97.8	Very high	95.7	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.8	-166.1	-168.5	0	0	0	0	110.1	L248 T254 F257 V280 A371 H372 I373 I374	L248-V282 HydrophobicContact CD2-CB 4.5Å; L248-V282 HydrophobicContact CD2-CG1 4.42Å; L248-V282 HydrophobicContact CD2-CG2 3.52Å; T254-V282 HydrophobicContact CG2-CB 3.88Å; T254-V282 HydrophobicContact CG2-CG1 3.51Å; T254-V282 HydrophobicContact CG2-CG2 4.42Å; F257-V282 HydrophobicContact CB-CG1 3.7Å; F257-V282 HydrophobicContact CD1-CG1 3.65Å; F257-V282 HydrophobicContact CD1-CG2 4.47Å; F257-V282 HydrophobicContact CD2-CG1 4.27Å; F257-V282 HydrophobicContact CE1-CG1 4.33Å; F257-V282 HydrophobicContact CG-CG1 3.61Å; V280-V282 HydrophobicContact CB-CG2 3.96Å; V280-V282 HydrophobicContact CG1-CG2 3.45Å; V280-V282 VanDerWaalsContact CG1-CG2 3.45Å; V282-A371 HydrophobicContact CG2-CB 4.22Å; V282-H372 PolarHBondContact N-O 2.95Å; V282-I373 CarbonylContact O-C 3.37Å; V282-I373 VanDerWaalsContact O-CA 3.26Å; V282-I373 WeakPolarHBondContact O-CA 3.19Å; V282-I374 PolarHBondContact O-N 3.33Å
283	P	97.8	Very high	95.7	Very high	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	141.8	170.9	-22.6	35.7	0	0	0	110.2	T287 W288 H307 I374 T377	P283-T287 HydrophobicContact CB-CG2 4.16Å; P283-W288 HydrophobicContact CB-CE3 4.25Å; P283-W288 HydrophobicContact CG-CE3 3.92Å; P283-W288 HydrophobicContact CG-CZ3 4.32Å; P283-H307 WeakPolarHBondContact CG-NE2 3.42Å; P283-I374 HydrophobicContact CB-CG2 4.43Å; P283-I374 HydrophobicContact CG-CG2 4.21Å; P283-T377 HydrophobicContact CG-CG2 4.35Å
284	N	95.4	Very high	95.8	Very high	38 Å²	38	49.9 Å²	49.9	20%	0.203	25%	0.251	C	S	.	.			trans	-60.5	157.7	175.5	71	66	0	0	0	111.7	E253 K286 T287 W288 I373 I374 E375	E253-N284 CarbonylContact O-C 3.43Å; E253-N284 WeakPolarHBondContact O-CA 2.88Å; N284-K286 VanDerWaalsContact C-N 3.29Å; N284-K286 PolarHBondContact O-N 3.22Å; N284-K286 PolarHBondContact OD1-N 2.8Å; N284-K286 VanDerWaalsContact OD1-N 3.17Å; N284-T287 PolarHBondContact ND2-OG1 2.68Å; N284-T287 VanDerWaalsContact ND2-OG1 3.08Å; N284-T287 PolarHBondContact O-N 3.1Å; N284-T287 VanDerWaalsContact O-N 3.11Å; N284-T287 PolarHBondContact OD1-N 2.7Å; N284-T287 PolarHBondContact OD1-OG1 2.82Å; N284-W288 PolarHBondContact O-N 3.25Å; N284-I373 HydrophobicContact CB-CG2 4.03Å; N284-I374 PolarHBondContact N-O 3.28Å; N284-E375 PolarHBondContact ND2-O 3.36Å
285	Q	95.5	Very high	95.8	Very high	42 Å²	42	48.6 Å²	48.6	20%	0.196	24%	0.238	C	C	.	.	H	α-helix	trans	-47.8	-50	-175.9	-179.8	75.4	10.8	0	0	112.1	P252 E253 A256 W288 E289	P252-Q285 PolarHBondContact O-OE1 3.31Å; E253-Q285 WeakPolarHBondContact O-CA 3.4Å; E253-Q285 PolarHBondContact O-N 3.49Å; A256-Q285 VanDerWaalsContact CB-CD 3.45Å; A256-Q285 VanDerWaalsContact CB-NE2 3.34Å; Q285-W288 PolarHBondContact O-N 3.07Å; Q285-E289 HydrophobicContact CG-CG 4.48Å; Q285-E289 PolarHBondContact NE2-OE1 3.1Å; Q285-E289 WeakPolarHBondContact O-CB 3.47Å; Q285-E289 WeakPolarHBondContact O-CG 3.4Å; Q285-E289 PolarHBondContact O-N 3.12Å
286	K	96.1	Very high	95.9	Very high	152 Å²	152	48.7 Å²	48.7	66%	0.661	23%	0.229	S	C	*	.	H	α-helix	trans	-63.6	-46.9	-176.9	179.9	-174.7	175	-172.6	0	111.5	N284 E289 L290	N284-K286 VanDerWaalsContact C-N 3.29Å; N284-K286 PolarHBondContact O-N 3.22Å; N284-K286 PolarHBondContact OD1-N 2.8Å; N284-K286 VanDerWaalsContact OD1-N 3.17Å; K286-E289 PolarHBondContact O-N 3.44Å; K286-L290 WeakPolarHBondContact O-CG 3.29Å; K286-L290 PolarHBondContact O-N 2.76Å
287	T	96.3	Very high	95.7	Very high	23 Å²	23	50.1 Å²	50.1	14%	0.141	25%	0.246	C	C	.	.	H	α-helix	trans	-59.8	-48.8	177.9	-62.7	0	0	0	0	110.4	P283 N284 E289 L290 L291 E375 D376 T377	P283-T287 HydrophobicContact CB-CG2 4.16Å; N284-T287 PolarHBondContact ND2-OG1 2.68Å; N284-T287 VanDerWaalsContact ND2-OG1 3.08Å; N284-T287 PolarHBondContact O-N 3.1Å; N284-T287 VanDerWaalsContact O-N 3.11Å; N284-T287 PolarHBondContact OD1-N 2.7Å; N284-T287 PolarHBondContact OD1-OG1 2.82Å; T287-E289 VanDerWaalsContact C-N 3.35Å; T287-E289 PolarHBondContact O-N 3.48Å; T287-L290 PolarHBondContact O-N 2.77Å; T287-L291 PolarHBondContact O-N 2.95Å; T287-L291 VanDerWaalsContact O-N 3.1Å; T287-E375 PolarHBondContact OG1-O 2.65Å; T287-D376 WeakPolarHBondContact CG2-OD1 3.42Å; T287-T377 WeakPolarHBondContact CG2-OG1 3.43Å
288	W	96.8	Very high	95.4	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-64.2	-39	179.8	-168	-100.8	0	0	0	112.2	F257 D260 P283 N284 Q285 L290 L291 R292 L300 I303 A304 T377	F257-W288 HydrophobicContact CB-CD2 4.29Å; F257-W288 HydrophobicContact CB-CG 4.25Å; F257-W288 AromaticContact CD2-CD2 3.88Å; F257-W288 HydrophobicContact CD2-CD2 3.88Å; F257-W288 AromaticContact CD2-CE2 3.96Å; F257-W288 AromaticContact CD2-CE3 3.77Å; F257-W288 HydrophobicContact CD2-CE3 3.77Å; F257-W288 AromaticContact CD2-CH2 3.85Å; F257-W288 HydrophobicContact CD2-CH2 3.85Å; F257-W288 AromaticContact CD2-CZ2 3.96Å; F257-W288 HydrophobicContact CD2-CZ2 3.96Å; F257-W288 AromaticContact CD2-CZ3 3.74Å; F257-W288 HydrophobicContact CD2-CZ3 3.74Å; F257-W288 HydrophobicContact CE2-CE3 4.44Å; F257-W288 AromaticContact CE2-CH2 3.99Å; F257-W288 HydrophobicContact CE2-CH2 3.99Å; F257-W288 HydrophobicContact CE2-CZ2 4.44Å; F257-W288 AromaticContact CE2-CZ3 3.99Å; F257-W288 HydrophobicContact CE2-CZ3 3.99Å; D260-W288 HydrophobicContact CB-CZ2 4.23Å; D260-W288 PolarHBondContact OD2-NE1 3.43Å; P283-W288 HydrophobicContact CB-CE3 4.25Å; P283-W288 HydrophobicContact CG-CE3 3.92Å; P283-W288 HydrophobicContact CG-CZ3 4.32Å; N284-W288 PolarHBondContact O-N 3.25Å; Q285-W288 PolarHBondContact O-N 3.07Å; W288-L290 PolarHBondContact O-N 3.44Å; W288-L291 HydrophobicContact CD2-CD2 4.2Å; W288-L291 HydrophobicContact CE3-CD2 3.49Å; W288-L291 VanDerWaalsContact CE3-CD2 3.49Å; W288-L291 HydrophobicContact CH2-CD2 3.96Å; W288-L291 HydrophobicContact CZ3-CD2 3.36Å; W288-L291 VanDerWaalsContact O-CB 3.27Å; W288-L291 WeakPolarHBondContact O-CB 3.45Å; W288-L291 PolarHBondContact O-N 3.12Å; W288-L291 VanDerWaalsContact O-N 3.15Å; W288-R292 WeakPolarHBondContact O-CG 3.21Å; W288-R292 PolarHBondContact O-N 3.47Å; W288-L300 HydrophobicContact CH2-CD2 4.35Å; W288-L300 HydrophobicContact CZ2-CD2 4.11Å; W288-I303 HydrophobicContact CH2-CB 4.38Å; W288-I303 HydrophobicContact CH2-CG2 4.04Å; W288-I303 HydrophobicContact CZ3-CG2 3.84Å; W288-A304 HydrophobicContact CH2-CB 4.05Å; W288-A304 HydrophobicContact CZ2-CB 4.42Å; W288-T377 HydrophobicContact CZ3-CG2 4.24Å
289	E	96.2	Very high	95.2	Very high	75 Å²	75	56.2 Å²	56.2	35%	0.35	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-39.5	177.9	-75.9	-175.3	164.1	0	0	113.8	A256 Q285 K286 T287 L291 R292	A256-E289 HydrophobicContact CB-CG 4.24Å; Q285-E289 HydrophobicContact CG-CG 4.48Å; Q285-E289 PolarHBondContact NE2-OE1 3.1Å; Q285-E289 WeakPolarHBondContact O-CB 3.47Å; Q285-E289 WeakPolarHBondContact O-CG 3.4Å; Q285-E289 PolarHBondContact O-N 3.12Å; K286-E289 PolarHBondContact O-N 3.44Å; T287-E289 VanDerWaalsContact C-N 3.35Å; T287-E289 PolarHBondContact O-N 3.48Å; E289-L291 VanDerWaalsContact C-N 3.33Å; E289-R292 PolarHBondContact O-N 3.02Å; E289-R292 IonicContact OE1-NH2 3.2Å
290	L	95.8	Very high	95	Very high	101 Å²	101	56.8 Å²	56.8	53%	0.529	28%	0.279	S	S	.	.	H	α-helix	trans	-66.3	-39.6	173.8	-69	172	0	0	0	111.1	K286 T287 W288 R292 Q293	K286-L290 WeakPolarHBondContact O-CG 3.29Å; K286-L290 PolarHBondContact O-N 2.76Å; T287-L290 PolarHBondContact O-N 2.77Å; W288-L290 PolarHBondContact O-N 3.44Å; L290-R292 VanDerWaalsContact C-N 3.32Å; L290-R292 PolarHBondContact O-N 3.11Å; L290-Q293 WeakPolarHBondContact O-CB 3.46Å; L290-Q293 PolarHBondContact O-N 2.88Å
291	L	94.4	Very high	94.8	Very high	17 Å²	17	61.2 Å²	61.2	9%	0.089	30%	0.299	C	S	.	.	H	α-helix	trans	-60.5	-40.5	177.6	-166.6	81.3	0	0	0	112.4	T287 W288 E289 Q293 K294 Y295 L300 I303 T377 I379	T287-L291 PolarHBondContact O-N 2.95Å; T287-L291 VanDerWaalsContact O-N 3.1Å; W288-L291 HydrophobicContact CD2-CD2 4.2Å; W288-L291 HydrophobicContact CE3-CD2 3.49Å; W288-L291 VanDerWaalsContact CE3-CD2 3.49Å; W288-L291 HydrophobicContact CH2-CD2 3.96Å; W288-L291 HydrophobicContact CZ3-CD2 3.36Å; W288-L291 VanDerWaalsContact O-CB 3.27Å; W288-L291 WeakPolarHBondContact O-CB 3.45Å; W288-L291 PolarHBondContact O-N 3.12Å; W288-L291 VanDerWaalsContact O-N 3.15Å; E289-L291 VanDerWaalsContact C-N 3.33Å; L291-Q293 PolarHBondContact O-N 3.19Å; L291-K294 PolarHBondContact O-N 3.3Å; L291-Y295 HydrophobicContact CD1-CD2 3.6Å; L291-Y295 HydrophobicContact CD1-CE2 3.37Å; L291-Y295 HydrophobicContact CG-CD2 3.76Å; L291-Y295 HydrophobicContact CG-CE2 4.08Å; L291-Y295 PolarHBondContact O-N 3.24Å; L291-Y295 VanDerWaalsContact O-N 3.14Å; L291-L300 HydrophobicContact CD2-CD2 3.89Å; L291-L300 HydrophobicContact CG-CD2 4.15Å; L291-I303 HydrophobicContact CD2-CD1 4.07Å; L291-I303 HydrophobicContact CD2-CG2 4.05Å; L291-I303 HydrophobicContact CG-CD1 4.48Å; L291-T377 HydrophobicContact CD1-CG2 4.09Å; L291-T377 HydrophobicContact CD2-CG2 3.59Å; L291-T377 HydrophobicContact CG-CG2 4.48Å; L291-I379 HydrophobicContact CD1-CD1 3.72Å
292	R	94.8	Very high	94.6	Very high	93 Å²	93	63.7 Å²	63.7	35%	0.351	31%	0.309	S	S	.	.	H	α-helix	trans	-59.9	-25.6	177.9	-68.1	-175.2	-49.3	173.1	-4.2	114	D260 W288 E289 L290 K294 L300	D260-R292 WeakPolarHBondContact OD2-CD 3.31Å; D260-R292 WeakPolarHBondContact OD2-CG 3.1Å; W288-R292 WeakPolarHBondContact O-CG 3.21Å; W288-R292 PolarHBondContact O-N 3.47Å; E289-R292 PolarHBondContact O-N 3.02Å; E289-R292 IonicContact OE1-NH2 3.2Å; L290-R292 VanDerWaalsContact C-N 3.32Å; L290-R292 PolarHBondContact O-N 3.11Å; R292-K294 VanDerWaalsContact C-N 3.33Å; R292-L300 HydrophobicContact CB-CD1 4.34Å; R292-L300 HydrophobicContact CG-CD1 4.06Å; R292-L300 HydrophobicContact CG-CD2 4.37Å
293	Q	94.4	Very high	94.5	Very high	162 Å²	162	63.7 Å²	63.7	76%	0.757	31%	0.309	S	S	*	.	H	α-helix	trans	-79.1	-22	177.6	-60.1	173.4	19.3	0	0	111.9	L290 L291	L290-Q293 WeakPolarHBondContact O-CB 3.46Å; L290-Q293 PolarHBondContact O-N 2.88Å; L291-Q293 PolarHBondContact O-N 3.19Å
294	K	93.4	Very high	94.4	Very high	138 Å²	138	63.7 Å²	63.7	60%	0.6	31%	0.309	S	S	*	.	H	α-helix	trans	-93.5	-38	-175.7	-174.5	178.9	176.3	-159.1	0	113	L291 R292	L291-K294 PolarHBondContact O-N 3.3Å; R292-K294 VanDerWaalsContact C-N 3.33Å
295	Y	93.5	Very high	94.4	Very high	31 Å²	31	62.3 Å²	62.3	12%	0.122	30%	0.303	C	S	.	.	S	Bend	trans	-112.2	149.1	-170.9	-64.1	-80.5	0	0	0	112.9	L291 Q299 I303 I379 V383	L291-Y295 HydrophobicContact CD1-CD2 3.6Å; L291-Y295 HydrophobicContact CD1-CE2 3.37Å; L291-Y295 HydrophobicContact CG-CD2 3.76Å; L291-Y295 HydrophobicContact CG-CE2 4.08Å; L291-Y295 PolarHBondContact O-N 3.24Å; L291-Y295 VanDerWaalsContact O-N 3.14Å; Y295-Q299 HydrophobicContact CD1-CB 4.29Å; Y295-I303 HydrophobicContact CD1-CD1 4.24Å; Y295-I303 HydrophobicContact CD2-CD1 3.86Å; Y295-I303 HydrophobicContact CE2-CD1 4.2Å; Y295-I303 HydrophobicContact CG-CD1 3.86Å; Y295-I379 HydrophobicContact CE2-CD1 4.11Å; Y295-V383 HydrophobicContact CD1-CG1 3.57Å; Y295-V383 HydrophobicContact CE1-CG1 3.48Å; Y295-V383 VanDerWaalsContact CE1-CG1 3.48Å
296	S	92.3	Very high	94.4	Very high	58 Å²	58	60.3 Å²	60.3	41%	0.406	29%	0.293	S	S	.	.			trans	-67.3	161.9	173.6	66	0	0	0	0	112	E298 Q299 L300	S296-E298 PolarHBondContact O-N 3.03Å; S296-Q299 PolarHBondContact O-N 3.18Å; S296-Q299 WeakPolarHBondContact OG-CG 3.25Å; S296-Q299 PolarHBondContact OG-N 3.14Å; S296-Q299 PolarHBondContact OG-OE1 3.15Å; S296-L300 WeakPolarHBondContact O-CG 3.09Å; S296-L300 PolarHBondContact O-N 3.28Å
297	S	91.5	Very high	94.5	Very high	93 Å²	93	53 Å²	53	65%	0.65	26%	0.262	S	S	*	.	H	α-helix	trans	-57.6	-35.6	177.9	-54.6	0	0	0	0	113.5	Q301	S297-Q301 WeakPolarHBondContact O-CG 3.11Å; S297-Q301 PolarHBondContact O-N 3.15Å; S297-Q301 VanDerWaalsContact O-N 3.13Å
298	E	90.4	Very high	94.5	Very high	125 Å²	125	52 Å²	52	58%	0.584	26%	0.255	S	S	*	.	H	α-helix	trans	-69.3	-44	177.8	-163.5	-165.2	138.6	0	0	111.6	S296 Q301 R302	S296-E298 PolarHBondContact O-N 3.03Å; E298-Q301 PolarHBondContact O-N 2.93Å; E298-R302 PolarHBondContact O-N 3.3Å; E298-R302 IonicContact OE1-CZ 3.57Å; E298-R302 IonicContact OE1-NH1 2.87Å; E298-R302 PolarHBondContact OE1-NH1 3.29Å; E298-R302 IonicContact OE1-NH2 3.45Å
299	Q	92.6	Very high	94.6	Very high	33 Å²	33	52 Å²	52	15%	0.154	26%	0.255	C	S	.	.	H	α-helix	trans	-63.7	-41.5	174.6	-72.6	167.5	-39.4	0	0	111.3	Y295 S296 Q301 R302 I303 V383	Y295-Q299 HydrophobicContact CD1-CB 4.29Å; S296-Q299 PolarHBondContact O-N 3.18Å; S296-Q299 WeakPolarHBondContact OG-CG 3.25Å; S296-Q299 PolarHBondContact OG-N 3.14Å; S296-Q299 PolarHBondContact OG-OE1 3.15Å; Q299-Q301 VanDerWaalsContact C-N 3.27Å; Q299-Q301 PolarHBondContact O-N 2.87Å; Q299-R302 PolarHBondContact O-N 3.22Å; Q299-R302 VanDerWaalsContact O-N 3.13Å; Q299-I303 VanDerWaalsContact O-CG1 3.28Å; Q299-I303 WeakPolarHBondContact O-CG1 3.48Å; Q299-I303 PolarHBondContact O-N 3.47Å; Q299-V383 HydrophobicContact CB-CG1 4.01Å; Q299-V383 HydrophobicContact CB-CG2 4.26Å; Q299-V383 HydrophobicContact CG-CG1 4.04Å; Q299-V383 HydrophobicContact CG-CG2 4.4Å
300	L	94.7	Very high	94.6	Very high	12 Å²	12	52.2 Å²	52.2	6%	0.063	26%	0.259	C	S	.	.	H	α-helix	trans	-59.2	-37.3	175.3	-72.9	169.6	0	0	0	112	W288 L291 R292 S296 I303 A304	W288-L300 HydrophobicContact CH2-CD2 4.35Å; W288-L300 HydrophobicContact CZ2-CD2 4.11Å; L291-L300 HydrophobicContact CD2-CD2 3.89Å; L291-L300 HydrophobicContact CG-CD2 4.15Å; R292-L300 HydrophobicContact CB-CD1 4.34Å; R292-L300 HydrophobicContact CG-CD1 4.06Å; R292-L300 HydrophobicContact CG-CD2 4.37Å; S296-L300 WeakPolarHBondContact O-CG 3.09Å; S296-L300 PolarHBondContact O-N 3.28Å; L300-I303 PolarHBondContact O-N 3.39Å; L300-A304 VanDerWaalsContact O-CB 3.27Å; L300-A304 WeakPolarHBondContact O-CB 3.27Å; L300-A304 PolarHBondContact O-N 3.1Å
301	Q	93.5	Very high	94.5	Very high	92 Å²	92	52 Å²	52	43%	0.43	26%	0.258	S	S	.	.	H	α-helix	trans	-66	-40.7	174.8	-72.5	177.3	16.8	0	0	112.4	S297 E298 Q299 A304 A305	S297-Q301 WeakPolarHBondContact O-CG 3.11Å; S297-Q301 PolarHBondContact O-N 3.15Å; S297-Q301 VanDerWaalsContact O-N 3.13Å; E298-Q301 PolarHBondContact O-N 2.93Å; Q299-Q301 VanDerWaalsContact C-N 3.27Å; Q299-Q301 PolarHBondContact O-N 2.87Å; Q301-A304 PolarHBondContact O-N 3.2Å; Q301-A305 WeakPolarHBondContact O-CB 3.48Å; Q301-A305 PolarHBondContact O-N 3.24Å
302	R	93.2	Very high	94.6	Very high	52 Å²	52	52 Å²	52	20%	0.196	26%	0.258	C	S	.	.	H	α-helix	trans	-63.5	-45.2	173.3	-70.8	-165.6	-74.7	-81.9	8.4	111.6	E298 Q299 A304 A305 N306 S382 V383 D522	E298-R302 PolarHBondContact O-N 3.3Å; E298-R302 IonicContact OE1-CZ 3.57Å; E298-R302 IonicContact OE1-NH1 2.87Å; E298-R302 PolarHBondContact OE1-NH1 3.29Å; E298-R302 IonicContact OE1-NH2 3.45Å; Q299-R302 PolarHBondContact O-N 3.22Å; Q299-R302 VanDerWaalsContact O-N 3.13Å; R302-A304 VanDerWaalsContact C-N 3.34Å; R302-A304 PolarHBondContact O-N 3.06Å; R302-A305 PolarHBondContact O-N 3.37Å; R302-N306 PolarHBondContact O-N 3.13Å; R302-N306 VanDerWaalsContact O-N 3.08Å; R302-S382 PolarHBondContact NE-O 3.32Å; R302-V383 HydrophobicContact CB-CG2 3.88Å; R302-D522 IonicContact CZ-OD1 2.81Å; R302-D522 IonicContact NH2-OD1 3.32Å; R302-D522 PolarHBondContact NH2-OD1 3.21Å
303	I	95.7	Very high	94.6	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-59.2	-48.2	175.7	-63.5	165.8	0	0	0	109.7	W288 L291 Y295 Q299 L300 A305 N306 H307 T377 I379 P380 V383	W288-I303 HydrophobicContact CH2-CB 4.38Å; W288-I303 HydrophobicContact CH2-CG2 4.04Å; W288-I303 HydrophobicContact CZ3-CG2 3.84Å; L291-I303 HydrophobicContact CD2-CD1 4.07Å; L291-I303 HydrophobicContact CD2-CG2 4.05Å; L291-I303 HydrophobicContact CG-CD1 4.48Å; Y295-I303 HydrophobicContact CD1-CD1 4.24Å; Y295-I303 HydrophobicContact CD2-CD1 3.86Å; Y295-I303 HydrophobicContact CE2-CD1 4.2Å; Y295-I303 HydrophobicContact CG-CD1 3.86Å; Q299-I303 VanDerWaalsContact O-CG1 3.28Å; Q299-I303 WeakPolarHBondContact O-CG1 3.48Å; Q299-I303 PolarHBondContact O-N 3.47Å; L300-I303 PolarHBondContact O-N 3.39Å; I303-A305 VanDerWaalsContact C-N 3.33Å; I303-A305 PolarHBondContact O-N 3.26Å; I303-N306 WeakPolarHBondContact O-CB 3.42Å; I303-N306 PolarHBondContact O-N 3.25Å; I303-N306 VanDerWaalsContact O-N 3.08Å; I303-H307 PolarHBondContact O-N 2.93Å; I303-H307 PolarHBondContact O-ND1 2.96Å; I303-T377 HydrophobicContact CG2-CG2 3.41Å; I303-T377 VanDerWaalsContact CG2-CG2 3.41Å; I303-I379 HydrophobicContact CD1-CD1 3.94Å; I303-I379 HydrophobicContact CG1-CD1 4.3Å; I303-I379 HydrophobicContact CG2-CD1 4.33Å; I303-P380 HydrophobicContact CG1-CG 4.41Å; I303-V383 HydrophobicContact CD1-CG1 4.24Å; I303-V383 HydrophobicContact CG1-CG1 4.4Å; I303-V383 HydrophobicContact CG1-CG2 4.07Å
304	A	95.9	Very high	94.6	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-61.1	-40.5	179.1	0	0	0	0	0	112	F257 L261 W288 L300 Q301 R302 N306 H307 V308	F257-A304 HydrophobicContact CE2-CB 4.01Å; F257-A304 HydrophobicContact CZ-CB 4.19Å; L261-A304 HydrophobicContact CD2-CB 4.22Å; W288-A304 HydrophobicContact CH2-CB 4.05Å; W288-A304 HydrophobicContact CZ2-CB 4.42Å; L300-A304 VanDerWaalsContact O-CB 3.27Å; L300-A304 WeakPolarHBondContact O-CB 3.27Å; L300-A304 PolarHBondContact O-N 3.1Å; Q301-A304 PolarHBondContact O-N 3.2Å; R302-A304 VanDerWaalsContact C-N 3.34Å; R302-A304 PolarHBondContact O-N 3.06Å; A304-N306 VanDerWaalsContact C-N 3.26Å; A304-N306 PolarHBondContact O-N 2.94Å; A304-H307 WeakPolarHBondContact O-CB 2.88Å; A304-H307 PolarHBondContact O-N 3.37Å; A304-H307 VanDerWaalsContact O-N 3.08Å; A304-V308 WeakPolarHBondContact O-CG2 3.2Å
305	A	95.1	Very high	94.7	Very high	9 Å²	9	35.5 Å²	35.5	7%	0.074	19%	0.188	C	C	.	.	H	α-helix	trans	-60.9	-34.9	174.5	0	0	0	0	0	112.7	F265 Q301 R302 I303 H307 V308 L329	F265-A305 HydrophobicContact CE2-CB 3.81Å; F265-A305 HydrophobicContact CZ-CB 3.7Å; Q301-A305 WeakPolarHBondContact O-CB 3.48Å; Q301-A305 PolarHBondContact O-N 3.24Å; R302-A305 PolarHBondContact O-N 3.37Å; I303-A305 VanDerWaalsContact C-N 3.33Å; I303-A305 PolarHBondContact O-N 3.26Å; A305-H307 PolarHBondContact O-N 2.83Å; A305-V308 PolarHBondContact O-N 3.37Å; A305-L329 HydrophobicContact CB-CB 4.49Å
306	N	96.2	Very high	94.7	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-67.8	-17.9	176.7	-162.5	41.7	0	0	0	113.5	R302 I303 A304 V308 S327 L329 E331 L378 P380	R302-N306 PolarHBondContact O-N 3.13Å; R302-N306 VanDerWaalsContact O-N 3.08Å; I303-N306 WeakPolarHBondContact O-CB 3.42Å; I303-N306 PolarHBondContact O-N 3.25Å; I303-N306 VanDerWaalsContact O-N 3.08Å; A304-N306 VanDerWaalsContact C-N 3.26Å; A304-N306 PolarHBondContact O-N 2.94Å; N306-V308 VanDerWaalsContact C-N 3.34Å; N306-S327 VanDerWaalsContact O-CB 3.27Å; N306-S327 WeakPolarHBondContact O-CB 3.46Å; N306-S327 WeakPolarHBondContact OD1-CB 3.36Å; N306-S327 PolarHBondContact OD1-OG 3.39Å; N306-L329 HydrophobicContact CB-CD2 4.25Å; N306-E331 WeakPolarHBondContact OD1-CB 3.46Å; N306-L378 PolarHBondContact ND2-O 3.38Å; N306-P380 HydrophobicContact CB-CB 3.93Å; N306-P380 HydrophobicContact CB-CG 3.99Å
307	H	97.5	Very high	94.7	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-90	2	178.6	-76.2	83	0	0	0	113.4	F257 V280 I281 P283 I303 A304 A305 T377 L378	F257-H307 HydrophobicContact CE2-CB 3.97Å; F257-H307 HydrophobicContact CZ-CB 3.88Å; V280-H307 WeakPolarHBondContact CA-O 2.99Å; I281-H307 PolarHBondContact N-O 3.16Å; I281-H307 WeakPolarHBondContact O-CB 3.32Å; I281-H307 PolarHBondContact O-CD2 3.17Å; P283-H307 WeakPolarHBondContact CG-NE2 3.42Å; I303-H307 PolarHBondContact O-N 2.93Å; I303-H307 PolarHBondContact O-ND1 2.96Å; A304-H307 WeakPolarHBondContact O-CB 2.88Å; A304-H307 PolarHBondContact O-N 3.37Å; A304-H307 VanDerWaalsContact O-N 3.08Å; A305-H307 PolarHBondContact O-N 2.83Å; H307-T377 VanDerWaalsContact CE1-CG2 3.41Å; H307-T377 WeakPolarHBondContact CE1-CG2 3.02Å; H307-L378 PolarHBondContact CE1-N 3.39Å; H307-L378 PolarHBondContact CE1-O 2.71Å; H307-L378 WeakPolarHBondContact NE2-CB 3.23Å; H307-L378 PolarHBondContact NE2-N 3.34Å
308	V	97.4	Very high	94.8	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	131.4	-177.5	-172.8	0	0	0	0	109.5	F269 Y278 V280 A304 A305 N306 S327 L328	F269-V308 HydrophobicContact CE1-CG1 3.84Å; F269-V308 HydrophobicContact CE2-CG2 4.36Å; F269-V308 HydrophobicContact CZ-CB 4.29Å; F269-V308 HydrophobicContact CZ-CG1 3.57Å; F269-V308 HydrophobicContact CZ-CG2 3.65Å; Y278-V308 HydrophobicContact CD1-CG1 4.05Å; V280-V308 HydrophobicContact CG1-CG2 4.4Å; A304-V308 WeakPolarHBondContact O-CG2 3.2Å; A305-V308 PolarHBondContact O-N 3.37Å; N306-V308 VanDerWaalsContact C-N 3.34Å; V308-S327 CarbonylContact O-C 3.56Å; V308-S327 VanDerWaalsContact O-CA 3.3Å; V308-S327 WeakPolarHBondContact O-CA 3.44Å; V308-L328 HydrophobicContact CB-CB 4.43Å; V308-L328 HydrophobicContact CB-CD1 3.7Å; V308-L328 HydrophobicContact CB-CG 3.97Å; V308-L328 HydrophobicContact CG1-CD1 3.32Å; V308-L328 HydrophobicContact CG1-CG 3.82Å; V308-L328 PolarHBondContact O-N 3.2Å
309	L	97.8	Very high	95	Very high	1 Å²	1	21.9 Å²	21.9	1%	0.005	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	149.9	172.6	-54	91.8	0	0	0	110	Y278 T279 I281 Y325 L333 F335	Y278-L309 WeakPolarHBondContact CA-O 3.16Å; T279-L309 HydrophobicContact CG2-CD1 4.3Å; T279-L309 PolarHBondContact N-O 2.72Å; T279-L309 PolarHBondContact O-N 2.91Å; I281-L309 HydrophobicContact CG1-CD1 3.82Å; L309-Y325 VanDerWaalsContact CD2-CB 3.45Å; L309-Y325 HydrophobicContact CD2-CG 4.32Å; L309-L333 HydrophobicContact CD1-CD1 4.26Å; L309-L333 HydrophobicContact CD2-CD1 4.31Å; L309-L333 HydrophobicContact CG-CD1 4.4Å; L309-F335 HydrophobicContact CD1-CZ 4.17Å; L309-F335 HydrophobicContact CD2-CE2 3.84Å; L309-F335 HydrophobicContact CD2-CZ 4.05Å
310	L	96.1	Very high	95.1	Very high	80 Å²	80	25.5 Å²	25.5	42%	0.419	13%	0.126	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.6	149.5	169.1	-68.5	173.7	0	0	0	110.1	Q276 Y278 H313 L328	Q276-L310 HydrophobicContact CG-CD2 4.41Å; Y278-L310 HydrophobicContact CD1-CD2 4.41Å; Y278-L310 HydrophobicContact CE1-CD2 4.03Å; L310-H313 PolarHBondContact O-NE2 2.72Å; L310-L328 HydrophobicContact CD1-CD2 4.2Å; L310-L328 HydrophobicContact CD2-CD2 3.66Å; L310-L328 HydrophobicContact CG-CD2 3.6Å
311	N	94.9	Very high	95.1	Very high	97 Å²	97	28.6 Å²	28.6	52%	0.519	15%	0.146	S	C	.	.	S	Bend	trans	68.8	170.5	-176.7	-49.2	-49.4	0	0	0	113.1	R277 Y278 T279	R277-N311 WeakPolarHBondContact O-CA 3.47Å; R277-N311 PolarHBondContact O-N 3.1Å; Y278-N311 CarbonylContact C-O 3.43Å; T279-N311 PolarHBondContact N-O 3.05Å; T279-N311 PolarHBondContact OG1-O 2.9Å
312	Q	94.9	Very high	95.2	Very high	17 Å²	17	28.2 Å²	28.2	8%	0.079	15%	0.146	C	C	.	.			trans	-99.9	118.1	-179	177.1	172	-44.7	0	0	109.9	C211 R277 T279 C314 V370	C211-Q312 PolarHBondContact SG-NE2 3.34Å; R277-Q312 HydrophobicContact CB-CB 4.3Å; T279-Q312 WeakPolarHBondContact OG1-CA 3.36Å; Q312-C314 PolarHBondContact NE2-SG 3.43Å; Q312-C314 VanDerWaalsContact NE2-SG 3.44Å; Q312-V370 HydrophobicContact CG-CB 4.14Å; Q312-V370 HydrophobicContact CG-CG1 3.79Å
313	H	95.6	Very high	95.3	Very high	33 Å²	33	26.9 Å²	26.9	15%	0.153	14%	0.142	C	C	.	.			trans	-115	104	176.7	-59.7	-72.8	0	0	0	108.5	T279 L310 Y325 H372	T279-H313 HydrophobicContact CG2-CB 4.26Å; T279-H313 PolarHBondContact OG1-N 3.43Å; L310-H313 PolarHBondContact O-NE2 2.72Å; H313-Y325 AromaticContact CE1-CD1 3.53Å; H313-Y325 AromaticContact CE1-CE1 3.25Å; H313-Y325 WeakPolarHBondContact CE1-CE1 3.12Å; H313-Y325 AromaticContact ND1-CD1 4Å; H313-Y325 AromaticContact ND1-CE1 3.44Å; H313-Y325 WeakPolarHBondContact ND1-CE1 3.27Å; H313-Y325 AromaticContact ND1-CZ 3.86Å; H313-Y325 AromaticContact NE2-CD1 3.8Å; H313-Y325 AromaticContact NE2-CE1 3.98Å; H313-H372 PolarHBondContact O-NE2 2.81Å
314	C	95.5	Very high	95.3	Very high	0 Å²	0	29.4 Å²	29.4	0%	0	16%	0.16	C	C	.	.			trans	-84.2	149.4	178.6	-57	0	0	0	0	110.5	C211 Q312 G316 H317 L318 D363	C211-C314 WeakPolarHBondContact CA-SG 3.49Å; C211-C314 HydrophobicContact CB-CB 3.48Å; C211-C314 VanDerWaalsContact CB-CB 3.48Å; C211-C314 WeakPolarHBondContact CB-SG 3.49Å; C211-C314 WeakPolarHBondContact SG-CB 3.4Å; C211-C314 CovalentContact SG-SG 2.04Å; C211-C314 PolarHBondContact SG-SG 2.84Å; Q312-C314 PolarHBondContact NE2-SG 3.43Å; Q312-C314 VanDerWaalsContact NE2-SG 3.44Å; C314-G316 VanDerWaalsContact C-N 3.32Å; C314-G316 PolarHBondContact O-N 2.89Å; C314-H317 PolarHBondContact O-N 2.95Å; C314-L318 PolarHBondContact O-N 2.88Å; C314-D363 WeakPolarHBondContact CA-OD1 3.4Å
315	S	94.7	Very high	95.3	Very high	12 Å²	12	32 Å²	32	8%	0.084	17%	0.17	C	C	.	.	G	3₁₀ helix	trans	-61.2	-40.9	-178.1	76.4	0	0	0	0	112.1	H317 L318 H347 T362 D363	S315-H317 PolarHBondContact O-N 3.47Å; S315-L318 PolarHBondContact O-N 3.23Å; S315-H347 PolarHBondContact O-NE2 3.44Å; S315-T362 PolarHBondContact OG-OG1 3.28Å; S315-D363 WeakPolarHBondContact CB-OD2 3.34Å; S315-D363 PolarHBondContact N-OD1 2.81Å; S315-D363 PolarHBondContact OG-OD2 3.28Å
316	G	92.5	Very high	95.3	Very high	3 Å²	3	38.3 Å²	38.3	3%	0.031	20%	0.198	C	C	.	.	G	3₁₀ helix	trans	-62	-9.3	176.3	0	0	0	0	0	115.3	R74 C314 I319	R74-G316 PolarHBondContact NH1-O 3.26Å; C314-G316 VanDerWaalsContact C-N 3.32Å; C314-G316 PolarHBondContact O-N 2.89Å; G316-I319 WeakPolarHBondContact O-CG2 3.47Å
317	H	93	Very high	95.3	Very high	12 Å²	12	38.7 Å²	38.7	6%	0.056	20%	0.2	C	C	.	.	G	3₁₀ helix	trans	-107.1	-13.7	178.2	-57.1	-171.1	0	0	0	112.3	T200 E202 S208 C314 S315 I319	T200-H317 WeakPolarHBondContact CG2-CE1 3.27Å; E202-H317 HydrophobicContact CG-CB 4.09Å; E202-H317 IonicContact OE1-CE1 2.67Å; E202-H317 PolarHBondContact OE1-CE1 3.3Å; E202-H317 IonicContact OE1-CG 3.31Å; E202-H317 IonicContact OE1-ND1 3.18Å; E202-H317 PolarHBondContact OE1-ND1 2.84Å; S208-H317 WeakPolarHBondContact CB-NE2 3.46Å; S208-H317 PolarHBondContact OG-CE1 3.21Å; S208-H317 PolarHBondContact OG-NE2 3.24Å; C314-H317 PolarHBondContact O-N 2.95Å; S315-H317 PolarHBondContact O-N 3.47Å; H317-I319 PolarHBondContact O-N 3.35Å
318	L	94.3	Very high	95.1	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.021	22%	0.215	C	C	.	.			trans	-85.1	61.6	173.7	-64.8	172	0	0	0	109.8	C314 S315 E323 Y325 F335 C337	C314-L318 PolarHBondContact O-N 2.88Å; S315-L318 PolarHBondContact O-N 3.23Å; L318-E323 VanDerWaalsContact C-OE1 3.31Å; L318-E323 WeakPolarHBondContact CA-OE1 3.02Å; L318-Y325 HydrophobicContact CD2-CD2 4.47Å; L318-Y325 HydrophobicContact CD2-CE2 3.47Å; L318-Y325 VanDerWaalsContact CD2-CE2 3.47Å; L318-F335 HydrophobicContact CD1-CD1 3.61Å; L318-F335 HydrophobicContact CD1-CE1 4.06Å; L318-F335 HydrophobicContact CD1-CG 4.4Å; L318-F335 HydrophobicContact CD2-CB 4.41Å; L318-F335 HydrophobicContact CD2-CD1 4.41Å; L318-F335 HydrophobicContact CD2-CG 4.44Å; L318-C337 VanDerWaalsContact O-CB 3.29Å; L318-C337 WeakPolarHBondContact O-CB 3.38Å
319	I	94.1	Very high	94.7	Very high	3 Å²	3	44.7 Å²	44.7	2%	0.015	23%	0.232	C	C	.	.			trans	-92.2	-15.6	-166.4	58.6	161.3	0	0	0	113.7	M72 R74 C75 G316 H317 E323	M72-I319 HydrophobicContact CE-CD1 3.2Å; R74-I319 CarbonylContact C-O 3.57Å; R74-I319 WeakPolarHBondContact CA-O 3.41Å; R74-I319 HydrophobicContact CB-CB 4.27Å; R74-I319 HydrophobicContact CG-CB 3.86Å; R74-I319 HydrophobicContact CG-CG2 3.82Å; C75-I319 PolarHBondContact N-O 2.9Å; G316-I319 WeakPolarHBondContact O-CG2 3.47Å; H317-I319 PolarHBondContact O-N 3.35Å; I319-E323 PolarHBondContact N-OE1 3.2Å; I319-E323 VanDerWaalsContact N-OE1 3.07Å
320	H	94.7	Very high	94.4	Very high	108 Å²	108	46.9 Å²	46.9	50%	0.5	26%	0.255	S	S	.	.	S	Bend	trans	-81.1	154.7	179.2	-58.3	-64.2	0	0	0	110.8	L322 E323 C337	H320-L322 PolarHBondContact O-N 3.12Å; H320-E323 HydrophobicContact CB-CG 3.66Å; H320-E323 WeakPolarHBondContact CB-OE1 3.34Å; H320-E323 IonicContact CD2-OE1 3.83Å; H320-E323 PolarHBondContact CD2-OE1 2.88Å; H320-E323 IonicContact CG-OE1 3.6Å; H320-E323 PolarHBondContact N-OE1 3.2Å; H320-C337 PolarHBondContact O-N 3.15Å
321	T	95.2	Very high	94.1	Very high	78 Å²	78	44 Å²	44	48%	0.479	24%	0.239	S	C	.	.	S	Bend	trans	-64	-24.4	178.8	49.7	0	0	0	0	112.7	L336	T321-L336 WeakPolarHBondContact O-CA 3.36Å
322	L	95.6	Very high	94	Very high	83 Å²	83	43.8 Å²	43.8	44%	0.435	23%	0.234	S	C	.	.	S	Bend	trans	-149.3	122.3	173.9	179.1	65	0	0	0	109.7	H320 E334 F335 L336	H320-L322 PolarHBondContact O-N 3.12Å; L322-E334 HydrophobicContact CD1-CB 3.76Å; L322-E334 HydrophobicContact CD1-CG 4.01Å; L322-F335 CarbonylContact C-O 3.52Å; L322-F335 WeakPolarHBondContact CA-O 3.45Å; L322-L336 HydrophobicContact CD1-CG 4.2Å
323	E	95.2	Very high	94.1	Very high	24 Å²	24	43 Å²	43	11%	0.112	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.3	157.9	170.4	-60.8	-177.1	-143.2	0	0	109.2	L318 I319 H320 Y325 E334 F335	L318-E323 VanDerWaalsContact C-OE1 3.31Å; L318-E323 WeakPolarHBondContact CA-OE1 3.02Å; I319-E323 PolarHBondContact N-OE1 3.2Å; I319-E323 VanDerWaalsContact N-OE1 3.07Å; H320-E323 HydrophobicContact CB-CG 3.66Å; H320-E323 WeakPolarHBondContact CB-OE1 3.34Å; H320-E323 IonicContact CD2-OE1 3.83Å; H320-E323 PolarHBondContact CD2-OE1 2.88Å; H320-E323 IonicContact CG-OE1 3.6Å; H320-E323 PolarHBondContact N-OE1 3.2Å; E323-Y325 HydrophobicContact CB-CD2 4.41Å; E323-Y325 HydrophobicContact CB-CE2 3.63Å; E323-Y325 PolarHBondContact OE2-OH 2.99Å; E323-E334 WeakPolarHBondContact O-CA 3.32Å; E323-F335 PolarHBondContact N-O 3.46Å; E323-F335 PolarHBondContact O-N 3.24Å
324	S	95.6	Very high	94.1	Very high	53 Å²	53	42.6 Å²	42.6	37%	0.371	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134	128	-176.4	-66.8	0	0	0	0	110.9	K332 L333	S324-K332 WeakPolarHBondContact OG-CE 3.29Å; S324-K332 PolarHBondContact OG-NZ 3.27Å; S324-L333 WeakPolarHBondContact CA-O 3.3Å
325	Y	96.3	Very high	94.2	Very high	55 Å²	55	42.8 Å²	42.8	22%	0.216	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	160.7	179.7	-61.4	-85.9	0	0	0	109.7	L309 H313 L318 E323 K332 L333 F335	L309-Y325 VanDerWaalsContact CD2-CB 3.45Å; L309-Y325 HydrophobicContact CD2-CG 4.32Å; H313-Y325 AromaticContact CE1-CD1 3.53Å; H313-Y325 AromaticContact CE1-CE1 3.25Å; H313-Y325 WeakPolarHBondContact CE1-CE1 3.12Å; H313-Y325 AromaticContact ND1-CD1 4Å; H313-Y325 AromaticContact ND1-CE1 3.44Å; H313-Y325 WeakPolarHBondContact ND1-CE1 3.27Å; H313-Y325 AromaticContact ND1-CZ 3.86Å; H313-Y325 AromaticContact NE2-CD1 3.8Å; H313-Y325 AromaticContact NE2-CE1 3.98Å; L318-Y325 HydrophobicContact CD2-CD2 4.47Å; L318-Y325 HydrophobicContact CD2-CE2 3.47Å; L318-Y325 VanDerWaalsContact CD2-CE2 3.47Å; E323-Y325 HydrophobicContact CB-CD2 4.41Å; E323-Y325 HydrophobicContact CB-CE2 3.63Å; E323-Y325 PolarHBondContact OE2-OH 2.99Å; Y325-K332 WeakPolarHBondContact O-CA 3.48Å; Y325-L333 PolarHBondContact N-O 3.48Å; Y325-L333 PolarHBondContact O-N 3.36Å; Y325-F335 AromaticContact CD2-CD2 3.54Å; Y325-F335 HydrophobicContact CD2-CD2 3.54Å; Y325-F335 AromaticContact CD2-CE2 3.92Å; Y325-F335 HydrophobicContact CD2-CE2 3.92Å; Y325-F335 HydrophobicContact CD2-CG 4.2Å; Y325-F335 HydrophobicContact CE2-CD2 4.26Å; Y325-F335 HydrophobicContact CE2-CG 4.5Å; Y325-F335 HydrophobicContact CG-CD2 4.46Å; Y325-F335 HydrophobicContact CG-CE2 4.47Å
326	Q	95.2	Very high	94.3	Very high	142 Å²	142	43.2 Å²	43.2	66%	0.664	23%	0.23	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-102.2	133.5	175.5	-72.4	177.9	-17.1	0	0	109.9	E331	Q326-E331 WeakPolarHBondContact CA-O 3.36Å
327	S	95.6	Very high	94.6	Very high	7 Å²	7	43.1 Å²	43.1	5%	0.049	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-71.9	169.5	167.8	71.6	0	0	0	0	110.7	N306 V308 L329 G330 E331	N306-S327 VanDerWaalsContact O-CB 3.27Å; N306-S327 WeakPolarHBondContact O-CB 3.46Å; N306-S327 WeakPolarHBondContact OD1-CB 3.36Å; N306-S327 PolarHBondContact OD1-OG 3.39Å; V308-S327 CarbonylContact O-C 3.56Å; V308-S327 VanDerWaalsContact O-CA 3.3Å; V308-S327 WeakPolarHBondContact O-CA 3.44Å; S327-L329 PolarHBondContact O-N 3.1Å; S327-L329 PolarHBondContact OG-N 3.05Å; S327-G330 WeakPolarHBondContact O-CA 3.45Å; S327-G330 PolarHBondContact O-N 3.13Å; S327-E331 PolarHBondContact N-O 3.4Å; S327-E331 PolarHBondContact OG-N 3.24Å; S327-E331 PolarHBondContact OG-O 3.17Å
328	L	92.4	Very high	94.7	Very high	61 Å²	61	46.2 Å²	46.2	32%	0.319	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.4	173	-76.4	-173.4	0	0	0	113.1	F265 V308 L310 G330	F265-L328 HydrophobicContact CD1-CD1 4.24Å; F265-L328 HydrophobicContact CE1-CD1 3.62Å; F265-L328 HydrophobicContact CZ-CD1 4.39Å; V308-L328 HydrophobicContact CB-CB 4.43Å; V308-L328 HydrophobicContact CB-CD1 3.7Å; V308-L328 HydrophobicContact CB-CG 3.97Å; V308-L328 HydrophobicContact CG1-CD1 3.32Å; V308-L328 HydrophobicContact CG1-CG 3.82Å; V308-L328 PolarHBondContact O-N 3.2Å; L310-L328 HydrophobicContact CD1-CD2 4.2Å; L310-L328 HydrophobicContact CD2-CD2 3.66Å; L310-L328 HydrophobicContact CG-CD2 3.6Å; L328-G330 PolarHBondContact O-N 3.42Å
329	L	90.5	Very high	94.7	Very high	65 Å²	65	47.1 Å²	47.1	34%	0.34	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-6.9	172.6	-163.9	63.1	0	0	0	112.4	A305 N306 S327 E331 P380 S382	A305-L329 HydrophobicContact CB-CB 4.49Å; N306-L329 HydrophobicContact CB-CD2 4.25Å; S327-L329 PolarHBondContact O-N 3.1Å; S327-L329 PolarHBondContact OG-N 3.05Å; L329-E331 VanDerWaalsContact C-N 3.26Å; L329-P380 HydrophobicContact CD2-CB 3.57Å; L329-P380 HydrophobicContact CD2-CG 3.88Å; L329-S382 WeakPolarHBondContact CD2-OG 3.3Å
330	G	89.8	Confident	94.7	Very high	47 Å²	47	49 Å²	49	49%	0.485	26%	0.259	S	S	.	.	S	Bend	trans	82.8	-1.8	-174.3	0	0	0	0	0	113.9	S327 L328	S327-G330 WeakPolarHBondContact O-CA 3.45Å; S327-G330 PolarHBondContact O-N 3.13Å; L328-G330 PolarHBondContact O-N 3.42Å
331	E	90.8	Very high	94.5	Very high	21 Å²	21	50.6 Å²	50.6	10%	0.098	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-74.5	139.5	178.4	-173.3	165.8	158.7	0	0	110.9	N306 Q326 S327 L329 L333 T351 P380 L381	N306-E331 WeakPolarHBondContact OD1-CB 3.46Å; Q326-E331 WeakPolarHBondContact CA-O 3.36Å; S327-E331 PolarHBondContact N-O 3.4Å; S327-E331 PolarHBondContact OG-N 3.24Å; S327-E331 PolarHBondContact OG-O 3.17Å; L329-E331 VanDerWaalsContact C-N 3.26Å; E331-L333 PolarHBondContact O-N 3.36Å; E331-T351 WeakPolarHBondContact OE1-CB 3.36Å; E331-P380 WeakPolarHBondContact OE2-CA 3.34Å; E331-P380 WeakPolarHBondContact OE2-CB 3.37Å; E331-L381 PolarHBondContact OE2-N 3.42Å
332	K	92.8	Very high	94.2	Very high	92 Å²	92	52.6 Å²	52.6	40%	0.4	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	121	177.7	-171.9	-174	179.2	-160.4	0	110.2	S324 Y325 I352	S324-K332 WeakPolarHBondContact OG-CE 3.29Å; S324-K332 PolarHBondContact OG-NZ 3.27Å; Y325-K332 WeakPolarHBondContact O-CA 3.48Å; K332-I352 HydrophobicContact CB-CG2 4.07Å; K332-I352 HydrophobicContact CD-CG2 4.13Å; K332-I352 HydrophobicContact CG-CG2 4.3Å
333	L	96.2	Very high	93.8	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	136.7	171.4	-59.4	-178.2	0	0	0	110.2	L309 S324 Y325 E331 F335 V349 T351 L378	L309-L333 HydrophobicContact CD1-CD1 4.26Å; L309-L333 HydrophobicContact CD2-CD1 4.31Å; L309-L333 HydrophobicContact CG-CD1 4.4Å; S324-L333 WeakPolarHBondContact CA-O 3.3Å; Y325-L333 PolarHBondContact N-O 3.48Å; Y325-L333 PolarHBondContact O-N 3.36Å; E331-L333 PolarHBondContact O-N 3.36Å; L333-F335 HydrophobicContact CB-CD2 4.48Å; L333-F335 HydrophobicContact CB-CE2 4.02Å; L333-V349 HydrophobicContact CB-CG1 4.34Å; L333-T351 HydrophobicContact CD2-CG2 3.93Å; L333-L378 HydrophobicContact CD1-CD1 4.06Å; L333-L378 HydrophobicContact CD2-CD1 4.27Å
334	E	96.5	Very high	93.6	Very high	24 Å²	24	54.3 Å²	54.3	11%	0.112	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	118.4	176.3	-70.1	-173.8	163.9	0	0	109.6	L322 E323 V349 R350	L322-E334 HydrophobicContact CD1-CB 3.76Å; L322-E334 HydrophobicContact CD1-CG 4.01Å; E323-E334 WeakPolarHBondContact O-CA 3.32Å; E334-V349 WeakPolarHBondContact O-CA 3.35Å; E334-R350 HydrophobicContact CB-CG 3.86Å; E334-R350 PolarHBondContact N-O 2.96Å; E334-R350 PolarHBondContact O-N 3.24Å; E334-R350 IonicContact OE2-CZ 3.56Å; E334-R350 IonicContact OE2-NE 2.71Å; E334-R350 PolarHBondContact OE2-NE 2.97Å; E334-R350 IonicContact OE2-NH2 3.92Å; E334-R350 PolarHBondContact OE2-NH2 3.33Å
335	F	97.8	Very high	93.5	Very high	5 Å²	5	53.6 Å²	53.6	2%	0.022	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	130.5	173.6	-73.8	-105.5	0	0	0	108.4	I281 L309 L318 L322 E323 Y325 L333 Y348 V349 I359	I281-F335 HydrophobicContact CD1-CE1 3.82Å; I281-F335 HydrophobicContact CD1-CZ 3.97Å; I281-F335 HydrophobicContact CG1-CE1 4.33Å; I281-F335 HydrophobicContact CG1-CZ 4.03Å; L309-F335 HydrophobicContact CD1-CZ 4.17Å; L309-F335 HydrophobicContact CD2-CE2 3.84Å; L309-F335 HydrophobicContact CD2-CZ 4.05Å; L318-F335 HydrophobicContact CD1-CD1 3.61Å; L318-F335 HydrophobicContact CD1-CE1 4.06Å; L318-F335 HydrophobicContact CD1-CG 4.4Å; L318-F335 HydrophobicContact CD2-CB 4.41Å; L318-F335 HydrophobicContact CD2-CD1 4.41Å; L318-F335 HydrophobicContact CD2-CG 4.44Å; L322-F335 CarbonylContact C-O 3.52Å; L322-F335 WeakPolarHBondContact CA-O 3.45Å; E323-F335 PolarHBondContact N-O 3.46Å; E323-F335 PolarHBondContact O-N 3.24Å; Y325-F335 AromaticContact CD2-CD2 3.54Å; Y325-F335 HydrophobicContact CD2-CD2 3.54Å; Y325-F335 AromaticContact CD2-CE2 3.92Å; Y325-F335 HydrophobicContact CD2-CE2 3.92Å; Y325-F335 HydrophobicContact CD2-CG 4.2Å; Y325-F335 HydrophobicContact CE2-CD2 4.26Å; Y325-F335 HydrophobicContact CE2-CG 4.5Å; Y325-F335 HydrophobicContact CG-CD2 4.46Å; Y325-F335 HydrophobicContact CG-CE2 4.47Å; L333-F335 HydrophobicContact CB-CD2 4.48Å; L333-F335 HydrophobicContact CB-CE2 4.02Å; F335-Y348 CarbonylContact C-O 3.59Å; F335-Y348 WeakPolarHBondContact CA-O 3.12Å; F335-V349 HydrophobicContact CD1-CG2 3.57Å; F335-V349 HydrophobicContact CD2-CG1 4.34Å; F335-V349 HydrophobicContact CE1-CG1 4.33Å; F335-V349 HydrophobicContact CE1-CG2 3.48Å; F335-V349 VanDerWaalsContact CE1-CG2 3.48Å; F335-V349 HydrophobicContact CE2-CG1 4.12Å; F335-V349 HydrophobicContact CG-CG2 4.25Å; F335-V349 HydrophobicContact CZ-CG1 4.13Å; F335-V349 HydrophobicContact CZ-CG2 4.07Å; F335-I359 HydrophobicContact CE1-CD1 4.46Å
336	L	97.2	Very high	93.5	Very high	20 Å²	20	54 Å²	54	11%	0.105	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	136.6	180	-51.5	92.6	0	0	0	109.4	T321 L322 H347 Y348 R350 K356	T321-L336 WeakPolarHBondContact O-CA 3.36Å; L322-L336 HydrophobicContact CD1-CG 4.2Å; L336-H347 CarbonylContact O-C 3.44Å; L336-H347 WeakPolarHBondContact O-CA 3.28Å; L336-Y348 PolarHBondContact N-O 3.39Å; L336-Y348 PolarHBondContact O-N 3.39Å; L336-R350 HydrophobicContact CD1-CG 4.18Å; L336-K356 HydrophobicContact CD1-CB 4.5Å
337	C	97.4	Very high	93.6	Very high	1 Å²	1	47.7 Å²	47.7	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	129.4	170.8	-161.3	0	0	0	0	111.9	C75 L318 H320 K346 H347	C75-C337 CarbonylContact C-O 3.4Å; C75-C337 WeakPolarHBondContact CA-O 3.33Å; C75-C337 HydrophobicContact CB-CB 3.79Å; C75-C337 WeakPolarHBondContact CB-SG 3.36Å; C75-C337 WeakPolarHBondContact SG-CB 3.39Å; C75-C337 CovalentContact SG-SG 2.02Å; C75-C337 PolarHBondContact SG-SG 3.3Å; L318-C337 VanDerWaalsContact O-CB 3.29Å; L318-C337 WeakPolarHBondContact O-CB 3.38Å; H320-C337 PolarHBondContact O-N 3.15Å; C337-K346 WeakPolarHBondContact CA-O 3.34Å; C337-H347 PolarHBondContact SG-NE2 3Å; C337-H347 VanDerWaalsContact SG-NE2 3.4Å
338	E	96.1	Very high	93.7	Very high	78 Å²	78	48.7 Å²	48.7	36%	0.364	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	152.4	178.9	-63.5	175	-160	0	0	109.4	C75 K346 Y348 K356	C75-E338 CarbonylContact O-C 3.59Å; E338-K346 PolarHBondContact N-O 3.47Å; E338-K346 PolarHBondContact O-N 3.15Å; E338-Y348 HydrophobicContact CB-CE2 4.33Å; E338-Y348 HydrophobicContact CG-CE2 4.44Å; E338-K356 IonicContact OE1-NZ 2.68Å; E338-K356 PolarHBondContact OE1-NZ 3.03Å; E338-K356 IonicContact OE2-NZ 3Å; E338-K356 PolarHBondContact OE2-NZ 3.46Å
339	T	94.9	Very high	94	Very high	23 Å²	23	45.8 Å²	45.8	14%	0.141	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.3	172.6	-52.8	0	0	0	0	109.2	P58 C75 K77 K344	P58-T339 HydrophobicContact CB-CG2 3.83Å; P58-T339 HydrophobicContact CG-CG2 4.13Å; C75-T339 WeakPolarHBondContact CB-OG1 2.98Å; C75-T339 PolarHBondContact O-N 3.4Å; C75-T339 VanDerWaalsContact O-N 3.14Å; C75-T339 PolarHBondContact O-OG1 2.83Å; K77-T339 HydrophobicContact CG-CG2 3.96Å; K77-T339 VanDerWaalsContact CG-OG1 3.32Å; K77-T339 WeakPolarHBondContact CG-OG1 3.34Å; T339-K344 WeakPolarHBondContact CA-O 3.38Å
340	D	93	Very high	94.2	Very high	41 Å²	41	45.6 Å²	45.6	22%	0.219	24%	0.238	C	C	.	.			trans	-71.8	179.3	178.4	81.5	2.6	0	0	0	112.9	N342 G343 K344 K346	D340-N342 PolarHBondContact O-N 3.01Å; D340-N342 VanDerWaalsContact OD1-CA 3.31Å; D340-N342 WeakPolarHBondContact OD1-CA 3.34Å; D340-N342 WeakPolarHBondContact OD1-CB 3.46Å; D340-N342 PolarHBondContact OD1-N 3.19Å; D340-G343 PolarHBondContact O-N 3.3Å; D340-G343 VanDerWaalsContact O-N 3.15Å; D340-G343 PolarHBondContact OD1-N 3.47Å; D340-K344 PolarHBondContact N-O 2.89Å; D340-K344 PolarHBondContact OD1-N 3.36Å; D340-K346 HydrophobicContact CB-CD 4.34Å
341	T	90.1	Very high	94.4	Very high	143 Å²	143	43.7 Å²	43.7	88%	0.877	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-19.4	-179.8	54	0	0	0	0	113.9
342	N	88.5	Confident	94.1	Very high	119 Å²	119	44.5 Å²	44.5	64%	0.636	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94.8	3.1	179.2	-56.8	-48.8	0	0	0	112.4	D340 K344	D340-N342 PolarHBondContact O-N 3.01Å; D340-N342 VanDerWaalsContact OD1-CA 3.31Å; D340-N342 WeakPolarHBondContact OD1-CA 3.34Å; D340-N342 WeakPolarHBondContact OD1-CB 3.46Å; D340-N342 PolarHBondContact OD1-N 3.19Å; N342-K344 VanDerWaalsContact C-N 3.32Å
343	G	88.4	Confident	93.6	Very high	12 Å²	12	40.6 Å²	40.6	12%	0.124	21%	0.205	C	C	.	.	S	Bend	trans	81.3	8.1	-176.2	0	0	0	0	0	114	D59 D340	D59-G343 PolarHBondContact N-O 2.94Å; D340-G343 PolarHBondContact O-N 3.3Å; D340-G343 VanDerWaalsContact O-N 3.15Å; D340-G343 PolarHBondContact OD1-N 3.47Å
344	K	90.8	Very high	93.1	Very high	132 Å²	132	41.4 Å²	41.4	57%	0.574	21%	0.213	S	C	*	.			trans	-83.4	137.9	177.5	-64.5	-175.5	176.2	-177.2	0	110.7	T339 D340 N342	T339-K344 WeakPolarHBondContact CA-O 3.38Å; D340-K344 PolarHBondContact N-O 2.89Å; D340-K344 PolarHBondContact OD1-N 3.36Å; N342-K344 VanDerWaalsContact C-N 3.32Å
345	E	94.1	Very high	92.7	Very high	37 Å²	37	46.4 Å²	46.4	17%	0.173	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.2	127.7	175.9	-64.3	170.8	170.3	0	0	109.7	R74 C75	R74-E345 WeakPolarHBondContact CD-OE1 3.43Å; R74-E345 WeakPolarHBondContact CG-OE1 3.08Å; R74-E345 IonicContact CZ-OE1 3.87Å; R74-E345 IonicContact CZ-OE2 2.65Å; R74-E345 IonicContact NE-OE1 3.36Å; R74-E345 PolarHBondContact NE-OE1 2.89Å; R74-E345 IonicContact NE-OE2 2.77Å; R74-E345 PolarHBondContact NE-OE2 2.92Å; R74-E345 IonicContact NH2-OE1 2.76Å; R74-E345 PolarHBondContact NH2-OE1 3.08Å; R74-E345 IonicContact NH2-OE2 3.48Å; R74-E345 PolarHBondContact NH2-OE2 2.83Å; C75-E345 HydrophobicContact CB-CG 4.21Å
346	K	95.9	Very high	92.6	Very high	63 Å²	63	50.2 Å²	50.2	27%	0.274	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	132	174.8	-71.1	-166.1	165.9	-128.5	0	109.4	C337 E338 D340 Y348 E358	C337-K346 WeakPolarHBondContact CA-O 3.34Å; E338-K346 PolarHBondContact N-O 3.47Å; E338-K346 PolarHBondContact O-N 3.15Å; D340-K346 HydrophobicContact CB-CD 4.34Å; K346-Y348 HydrophobicContact CB-CE2 3.74Å; K346-Y348 VanDerWaalsContact CD-OH 3.29Å; K346-Y348 WeakPolarHBondContact CD-OH 3.36Å; K346-E358 VanDerWaalsContact NZ-CD 3.31Å; K346-E358 IonicContact NZ-OE1 3.54Å; K346-E358 PolarHBondContact NZ-OE1 2.8Å; K346-E358 IonicContact NZ-OE2 3.82Å; K346-E358 PolarHBondContact NZ-OE2 2.86Å
347	H	97.7	Very high	92.5	Very high	11 Å²	11	50.4 Å²	50.4	5%	0.051	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	137	-178.9	-60.9	81.8	0	0	0	109.4	S315 L336 C337 I359	S315-H347 PolarHBondContact O-NE2 3.44Å; L336-H347 CarbonylContact O-C 3.44Å; L336-H347 WeakPolarHBondContact O-CA 3.28Å; C337-H347 PolarHBondContact SG-NE2 3Å; C337-H347 VanDerWaalsContact SG-NE2 3.4Å; H347-I359 HydrophobicContact CB-CB 4.32Å; H347-I359 HydrophobicContact CB-CD1 4.02Å; H347-I359 HydrophobicContact CB-CG1 4.47Å; H347-I359 PolarHBondContact O-N 2.93Å
348	Y	97.9	Very high	92.5	Very high	28 Å²	28	52.6 Å²	52.6	11%	0.11	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.8	177.6	-57.1	-92.4	0	0	0	109.9	F335 L336 E338 K346 K356 H357 E358	F335-Y348 CarbonylContact C-O 3.59Å; F335-Y348 WeakPolarHBondContact CA-O 3.12Å; L336-Y348 PolarHBondContact N-O 3.39Å; L336-Y348 PolarHBondContact O-N 3.39Å; E338-Y348 HydrophobicContact CB-CE2 4.33Å; E338-Y348 HydrophobicContact CG-CE2 4.44Å; K346-Y348 HydrophobicContact CB-CE2 3.74Å; K346-Y348 VanDerWaalsContact CD-OH 3.29Å; K346-Y348 WeakPolarHBondContact CD-OH 3.36Å; Y348-K356 HydrophobicContact CD1-CD 4.26Å; Y348-K356 HydrophobicContact CD1-CG 4.27Å; Y348-K356 HydrophobicContact CG-CD 4.23Å; Y348-H357 CarbonylContact C-O 3.54Å; Y348-H357 WeakPolarHBondContact CA-O 3.02Å; Y348-E358 HydrophobicContact CD1-CB 3.88Å; Y348-E358 HydrophobicContact CD1-CG 4.34Å; Y348-E358 HydrophobicContact CE1-CB 3.62Å; Y348-E358 HydrophobicContact CE1-CG 3.86Å; Y348-E358 PolarHBondContact OH-OE2 2.83Å; Y348-E358 VanDerWaalsContact OH-OE2 3.12Å
349	V	97.7	Very high	92.6	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	143.2	171.5	-167.5	0	0	0	0	109.1	L333 E334 F335 H357 I359 I374 L378	L333-V349 HydrophobicContact CB-CG1 4.34Å; E334-V349 WeakPolarHBondContact O-CA 3.35Å; F335-V349 HydrophobicContact CD1-CG2 3.57Å; F335-V349 HydrophobicContact CD2-CG1 4.34Å; F335-V349 HydrophobicContact CE1-CG1 4.33Å; F335-V349 HydrophobicContact CE1-CG2 3.48Å; F335-V349 VanDerWaalsContact CE1-CG2 3.48Å; F335-V349 HydrophobicContact CE2-CG1 4.12Å; F335-V349 HydrophobicContact CG-CG2 4.25Å; F335-V349 HydrophobicContact CZ-CG1 4.13Å; F335-V349 HydrophobicContact CZ-CG2 4.07Å; V349-H357 PolarHBondContact N-O 3.07Å; V349-H357 PolarHBondContact O-N 3.13Å; V349-I359 HydrophobicContact CG2-CD1 3.59Å; V349-I359 HydrophobicContact CG2-CG1 3.84Å; V349-I374 HydrophobicContact CB-CD1 3.93Å; V349-I374 HydrophobicContact CG2-CD1 4.33Å; V349-L378 HydrophobicContact CB-CD1 4.39Å; V349-L378 HydrophobicContact CB-CD2 4.2Å; V349-L378 HydrophobicContact CG1-CD1 3.73Å; V349-L378 HydrophobicContact CG1-CD2 3.98Å
350	R	95.1	Very high	92.6	Very high	60 Å²	60	52 Å²	52	23%	0.226	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.8	154.9	167.8	65.4	-178.4	-177.2	-158.6	-3.1	111.6	E334 L336 E355 K356	E334-R350 HydrophobicContact CB-CG 3.86Å; E334-R350 PolarHBondContact N-O 2.96Å; E334-R350 PolarHBondContact O-N 3.24Å; E334-R350 IonicContact OE2-CZ 3.56Å; E334-R350 IonicContact OE2-NE 2.71Å; E334-R350 PolarHBondContact OE2-NE 2.97Å; E334-R350 IonicContact OE2-NH2 3.92Å; E334-R350 PolarHBondContact OE2-NH2 3.33Å; L336-R350 HydrophobicContact CD1-CG 4.18Å; R350-E355 WeakPolarHBondContact CB-O 3.47Å; R350-K356 HydrophobicContact CB-CB 4.43Å
351	T	92.9	Very high	92.7	Very high	8 Å²	8	52.1 Å²	52.1	5%	0.049	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	160.8	157.5	67.5	0	0	0	0	109.3	E331 L333 F353 G354 L378 I379	E331-T351 WeakPolarHBondContact OE1-CB 3.36Å; L333-T351 HydrophobicContact CD2-CG2 3.93Å; T351-F353 PolarHBondContact O-N 3.21Å; T351-G354 PolarHBondContact O-N 3.4Å; T351-G354 WeakPolarHBondContact OG1-CA 3.3Å; T351-G354 PolarHBondContact OG1-N 2.86Å; T351-L378 HydrophobicContact CG2-CB 3.98Å; T351-L378 HydrophobicContact CG2-CD2 4.48Å; T351-I379 WeakPolarHBondContact CG2-O 3.38Å
352	I	85.7	Confident	92.9	Very high	37 Å²	37	47.5 Å²	47.5	19%	0.19	24%	0.239	C	C	.	.	S	Bend	trans	-55.9	-28.4	179.7	46.1	165.4	0	0	0	113.4	K332 L381 K398 F519	K332-I352 HydrophobicContact CB-CG2 4.07Å; K332-I352 HydrophobicContact CD-CG2 4.13Å; K332-I352 HydrophobicContact CG-CG2 4.3Å; I352-L381 HydrophobicContact CD1-CD1 4.19Å; I352-K398 PolarHBondContact O-NZ 3.28Å; I352-K398 VanDerWaalsContact O-NZ 3.13Å; I352-F519 HydrophobicContact CD1-CE1 4.04Å
353	F	82.6	Confident	93.1	Very high	11 Å²	11	43.7 Å²	43.7	5%	0.048	22%	0.218	C	C	.	.	S	Bend	trans	-103.2	-17.9	-179.3	-70.6	-69.9	0	0	0	114.3	T351 L381 Q394 Y395 K398 L399 F519	T351-F353 PolarHBondContact O-N 3.21Å; F353-L381 HydrophobicContact CB-CD2 4.17Å; F353-L381 HydrophobicContact CD2-CD1 3.36Å; F353-L381 HydrophobicContact CD2-CD2 3.15Å; F353-L381 HydrophobicContact CD2-CG 3.5Å; F353-L381 VanDerWaalsContact CD2-CG 3.5Å; F353-L381 HydrophobicContact CE2-CD1 3.23Å; F353-L381 HydrophobicContact CE2-CD2 3.69Å; F353-L381 HydrophobicContact CE2-CG 3.9Å; F353-L381 HydrophobicContact CG-CD2 3.77Å; F353-L381 HydrophobicContact CG-CG 4.5Å; F353-L381 HydrophobicContact CZ-CD1 4.44Å; F353-Q394 PolarHBondContact O-NE2 3.13Å; F353-Y395 HydrophobicContact CB-CD1 3.68Å; F353-Y395 HydrophobicContact CB-CE1 3.68Å; F353-Y395 AromaticContact CD1-CD1 3.96Å; F353-Y395 HydrophobicContact CD1-CD1 3.96Å; F353-Y395 HydrophobicContact CG-CD1 4.16Å; F353-Y395 WeakPolarHBondContact O-CE1 3.45Å; F353-K398 HydrophobicContact CD1-CB 3.53Å; F353-K398 HydrophobicContact CD1-CG 4.09Å; F353-K398 HydrophobicContact CE1-CB 3.45Å; F353-K398 VanDerWaalsContact CE1-CB 3.45Å; F353-K398 HydrophobicContact CE1-CG 4.46Å; F353-L399 HydrophobicContact CE1-CD2 3.78Å; F353-L399 HydrophobicContact CE1-CG 3.7Å; F353-L399 HydrophobicContact CZ-CD2 3.47Å; F353-L399 VanDerWaalsContact CZ-CD2 3.47Å; F353-L399 HydrophobicContact CZ-CG 3.94Å; F353-F519 AromaticContact CE2-CD1 3.76Å; F353-F519 HydrophobicContact CE2-CD1 3.76Å; F353-F519 AromaticContact CE2-CE1 3.72Å; F353-F519 HydrophobicContact CE2-CE1 3.72Å; F353-F519 HydrophobicContact CZ-CD1 4.06Å; F353-F519 AromaticContact CZ-CE1 3.78Å; F353-F519 HydrophobicContact CZ-CE1 3.78Å; F353-F519 HydrophobicContact CZ-CZ 4.22Å
354	G	84.6	Confident	93.4	Very high	17 Å²	17	43.7 Å²	43.7	18%	0.175	22%	0.215	C	C	.	.	S	Bend	trans	-82.8	172.3	-176.8	0	0	0	0	0	114.6	T351	T351-G354 PolarHBondContact O-N 3.4Å; T351-G354 WeakPolarHBondContact OG1-CA 3.3Å; T351-G354 PolarHBondContact OG1-N 2.86Å
355	E	89.4	Confident	93.5	Very high	129 Å²	129	37.7 Å²	37.7	60%	0.603	19%	0.191	S	C	*	.	P	Polyproline II helix	trans	-74.1	163.7	166.6	-61.8	-168.9	146.9	0	0	110.7	R350 H357	R350-E355 WeakPolarHBondContact CB-O 3.47Å; E355-H357 PolarHBondContact O-CD2 3.35Å
356	K	94.1	Very high	93.5	Very high	84 Å²	84	36 Å²	36	37%	0.365	18%	0.183	S	C	.	.	P	Polyproline II helix	trans	-82.6	132.4	173.4	75.4	177	-169.4	173.9	0	109.8	L336 E338 Y348 R350	L336-K356 HydrophobicContact CD1-CB 4.5Å; E338-K356 IonicContact OE1-NZ 2.68Å; E338-K356 PolarHBondContact OE1-NZ 3.03Å; E338-K356 IonicContact OE2-NZ 3Å; E338-K356 PolarHBondContact OE2-NZ 3.46Å; Y348-K356 HydrophobicContact CD1-CD 4.26Å; Y348-K356 HydrophobicContact CD1-CG 4.27Å; Y348-K356 HydrophobicContact CG-CD 4.23Å; R350-K356 HydrophobicContact CB-CB 4.43Å
357	H	96.7	Very high	93.4	Very high	24 Å²	24	34 Å²	34	11%	0.111	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135	179.3	-59.4	-63.3	0	0	0	110	Y348 V349 E355 I374 E375 D376	Y348-H357 CarbonylContact C-O 3.54Å; Y348-H357 WeakPolarHBondContact CA-O 3.02Å; V349-H357 PolarHBondContact N-O 3.07Å; V349-H357 PolarHBondContact O-N 3.13Å; E355-H357 PolarHBondContact O-CD2 3.35Å; H357-I374 HydrophobicContact CB-CD1 3.75Å; H357-I374 HydrophobicContact CB-CG1 3.86Å; H357-E375 WeakPolarHBondContact CA-OE1 3.23Å; H357-E375 HydrophobicContact CB-CG 4.04Å; H357-D376 HydrophobicContact CB-CB 4.33Å; H357-D376 IonicContact CE1-OD2 3.38Å; H357-D376 WeakPolarHBondContact ND1-CB 3.5Å
358	E	97.4	Very high	93.3	Very high	47 Å²	47	33.7 Å²	33.7	22%	0.22	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	132.7	-179.3	-167.8	163.6	148.8	0	0	111.4	K346 Y348 T360 I374 E375	K346-E358 VanDerWaalsContact NZ-CD 3.31Å; K346-E358 IonicContact NZ-OE1 3.54Å; K346-E358 PolarHBondContact NZ-OE1 2.8Å; K346-E358 IonicContact NZ-OE2 3.82Å; K346-E358 PolarHBondContact NZ-OE2 2.86Å; Y348-E358 HydrophobicContact CD1-CB 3.88Å; Y348-E358 HydrophobicContact CD1-CG 4.34Å; Y348-E358 HydrophobicContact CE1-CB 3.62Å; Y348-E358 HydrophobicContact CE1-CG 3.86Å; Y348-E358 PolarHBondContact OH-OE2 2.83Å; Y348-E358 VanDerWaalsContact OH-OE2 3.12Å; E358-T360 PolarHBondContact O-N 2.85Å; E358-I374 WeakPolarHBondContact O-CG1 3.37Å; E358-E375 HydrophobicContact CB-CG 4.47Å; E358-E375 PolarHBondContact N-OE1 3.44Å; E358-E375 PolarHBondContact O-N 2.98Å
359	I	97.5	Very high	93.2	Very high	10 Å²	10	32.3 Å²	32.3	5%	0.051	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	108.6	164	-62.5	176.5	0	0	0	107.4	I281 F335 H347 V349 T361 T362 H372 I373	I281-I359 HydrophobicContact CD1-CD1 4.5Å; F335-I359 HydrophobicContact CE1-CD1 4.46Å; H347-I359 HydrophobicContact CB-CB 4.32Å; H347-I359 HydrophobicContact CB-CD1 4.02Å; H347-I359 HydrophobicContact CB-CG1 4.47Å; H347-I359 PolarHBondContact O-N 2.93Å; V349-I359 HydrophobicContact CG2-CD1 3.59Å; V349-I359 HydrophobicContact CG2-CG1 3.84Å; I359-T361 WeakPolarHBondContact CG2-O 3.37Å; I359-T362 HydrophobicContact CB-CG2 4.41Å; I359-T362 HydrophobicContact CG2-CG2 3.59Å; I359-H372 HydrophobicContact CD1-CB 4.33Å; I359-H372 HydrophobicContact CG2-CB 3.77Å; I359-I373 CarbonylContact C-O 3.57Å; I359-I373 WeakPolarHBondContact CA-O 3.42Å; I359-I373 WeakPolarHBondContact CG2-O 3.2Å
360	T	95.5	Very high	93.1	Very high	78 Å²	78	32.3 Å²	32.3	48%	0.479	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.2	-33.3	-176.5	58.7	0	0	0	0	112.8	E358 I373 E375	E358-T360 PolarHBondContact O-N 2.85Å; T360-I373 PolarHBondContact N-O 3.15Å; T360-I373 PolarHBondContact OG1-O 3.36Å; T360-E375 HydrophobicContact CG2-CB 3.95Å
361	T	93.7	Very high	93.2	Very high	44 Å²	44	29.5 Å²	29.5	27%	0.27	16%	0.159	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	121.1	175.1	-58	0	0	0	0	109.9	I359 L364 H372 I373	I359-T361 WeakPolarHBondContact CG2-O 3.37Å; T361-L364 HydrophobicContact CG2-CD1 4.32Å; T361-L364 HydrophobicContact CG2-CD2 3.89Å; T361-L364 HydrophobicContact CG2-CG 4.06Å; T361-H372 CarbonylContact O-C 3.57Å; T361-H372 VanDerWaalsContact O-CA 3.29Å; T361-H372 WeakPolarHBondContact O-CA 3.27Å; T361-I373 PolarHBondContact N-O 3.49Å; T361-I373 PolarHBondContact O-N 3.26Å
362	T	93.8	Very high	93.5	Very high	47 Å²	47	29.1 Å²	29.1	29%	0.288	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	156.9	178	58.9	0	0	0	0	112.2	S315 I359 L364 H372	S315-T362 PolarHBondContact OG-OG1 3.28Å; I359-T362 HydrophobicContact CB-CG2 4.41Å; I359-T362 HydrophobicContact CG2-CG2 3.59Å; T362-L364 PolarHBondContact O-N 2.98Å; T362-H372 WeakPolarHBondContact CA-ND1 3.05Å
363	D	94.1	Very high	94	Very high	38 Å²	38	27.5 Å²	27.5	20%	0.203	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.1	41.8	162.4	-56.9	-44.9	0	0	0	115.7	C211 C314 S315 A365 H372	C211-D363 HydrophobicContact CB-CB 3.76Å; C314-D363 WeakPolarHBondContact CA-OD1 3.4Å; S315-D363 WeakPolarHBondContact CB-OD2 3.34Å; S315-D363 PolarHBondContact N-OD1 2.81Å; S315-D363 PolarHBondContact OG-OD2 3.28Å; D363-A365 VanDerWaalsContact C-N 3.3Å; D363-A365 PolarHBondContact O-N 3.01Å; D363-H372 PolarHBondContact N-CE1 3.13Å; D363-H372 PolarHBondContact N-ND1 2.75Å; D363-H372 IonicContact OD1-CE1 3.11Å; D363-H372 PolarHBondContact OD1-CE1 2.93Å; D363-H372 VanDerWaalsContact OD1-CE1 3.25Å
364	L	94	Very high	94.7	Very high	12 Å²	12	27 Å²	27	6%	0.063	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	86.6	167.2	-57.2	177.5	0	0	0	109.4	I236 L247 T361 T362 V370 A371 I373	I236-L364 HydrophobicContact CD1-CD2 3.31Å; L247-L364 HydrophobicContact CD2-CB 3.94Å; L247-L364 VanDerWaalsContact CD2-O 3.23Å; L247-L364 WeakPolarHBondContact CD2-O 3.46Å; T361-L364 HydrophobicContact CG2-CD1 4.32Å; T361-L364 HydrophobicContact CG2-CD2 3.89Å; T361-L364 HydrophobicContact CG2-CG 4.06Å; T362-L364 PolarHBondContact O-N 2.98Å; L364-V370 WeakPolarHBondContact O-CA 2.84Å; L364-A371 HydrophobicContact CB-CB 4.14Å; L364-A371 VanDerWaalsContact CB-O 3.27Å; L364-A371 WeakPolarHBondContact CB-O 3.39Å; L364-A371 PolarHBondContact N-O 2.85Å; L364-A371 PolarHBondContact O-N 3.28Å; L364-I373 HydrophobicContact CD1-CD1 3.91Å; L364-I373 HydrophobicContact CD1-CG1 3.92Å
365	A	93.8	Very high	95.2	Very high	7 Å²	7	30.1 Å²	30.1	6%	0.058	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	135.8	-176.1	0	0	0	0	0	112.9	D210 R241 D363	D210-A365 HydrophobicContact CB-CB 3.92Å; R241-A365 VanDerWaalsContact CD-O 3.31Å; R241-A365 WeakPolarHBondContact CD-O 3.37Å; D363-A365 VanDerWaalsContact C-N 3.3Å; D363-A365 PolarHBondContact O-N 3.01Å
366	A	93.8	Very high	95.5	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	168.7	170.1	0	0	0	0	0	110.5	I244 L247 R277 N368 G369	I244-A366 HydrophobicContact CB-CB 4.41Å; I244-A366 HydrophobicContact CD1-CB 4.28Å; L247-A366 HydrophobicContact CB-CB 4.28Å; L247-A366 HydrophobicContact CD2-CB 3.89Å; R277-A366 PolarHBondContact NH2-O 2.78Å; A366-N368 PolarHBondContact O-N 2.86Å; A366-N368 VanDerWaalsContact O-N 3.15Å; A366-G369 CarbonylContact C-O 3.45Å; A366-G369 PolarHBondContact N-O 3.19Å; A366-G369 PolarHBondContact O-N 3.26Å
367	T	93.2	Very high	95.5	Very high	23 Å²	23	23.7 Å²	23.7	14%	0.141	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.8	-34.3	-175.9	-61.2	0	0	0	0	114	R195 R241 S242 I272 R277	R195-T367 PolarHBondContact NH1-OG1 3.26Å; R241-T367 PolarHBondContact O-N 3.21Å; R241-T367 PolarHBondContact O-OG1 3.31Å; S242-T367 WeakPolarHBondContact O-CB 3.24Å; S242-T367 PolarHBondContact O-OG1 3.26Å; I272-T367 HydrophobicContact CB-CG2 4.42Å; I272-T367 HydrophobicContact CG2-CG2 4.27Å; R277-T367 PolarHBondContact NH1-O 3.02Å; R277-T367 PolarHBondContact NH2-O 3.23Å
368	N	95.2	Very high	95.5	Very high	3 Å²	3	22.6 Å²	22.6	2%	0.016	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	-118.6	25.7	-179	66.1	-26.8	0	0	0	113.6	S243 I244 F269 I272 R277 Y278 A366	S243-N368 WeakPolarHBondContact CA-OD1 3.3Å; I244-N368 PolarHBondContact N-OD1 3.25Å; F269-N368 PolarHBondContact O-ND2 2.92Å; I272-N368 HydrophobicContact CG2-CB 4.34Å; R277-N368 VanDerWaalsContact CA-O 3.25Å; R277-N368 WeakPolarHBondContact CA-O 3.06Å; Y278-N368 PolarHBondContact N-O 2.74Å; Y278-N368 VanDerWaalsContact N-O 3.17Å; A366-N368 PolarHBondContact O-N 2.86Å; A366-N368 VanDerWaalsContact O-N 3.15Å
369	G	96.2	Very high	95.3	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	164.3	-168	176.6	0	0	0	0	0	114.6	Y278 A366	Y278-G369 CarbonylContact O-C 3.56Å; Y278-G369 WeakPolarHBondContact O-CA 3.44Å; A366-G369 CarbonylContact C-O 3.45Å; A366-G369 PolarHBondContact N-O 3.19Å; A366-G369 PolarHBondContact O-N 3.26Å
370	V	96.6	Very high	95.1	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	143.1	177.3	66.7	0	0	0	0	109.9	Y278 T279 V280 Q312 L364	Y278-V370 PolarHBondContact O-N 2.93Å; T279-V370 CarbonylContact C-O 3.4Å; T279-V370 WeakPolarHBondContact CA-O 3.43Å; T279-V370 HydrophobicContact CG2-CG1 3.98Å; V280-V370 PolarHBondContact N-O 3.22Å; Q312-V370 HydrophobicContact CG-CB 4.14Å; Q312-V370 HydrophobicContact CG-CG1 3.79Å; L364-V370 WeakPolarHBondContact O-CA 2.84Å
371	A	97.5	Very high	94.9	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	143.9	168.5	0	0	0	0	0	110.9	I244 L247 L248 V280 V282 L364	I244-A371 HydrophobicContact CD1-CB 3.93Å; L247-A371 HydrophobicContact CD2-CB 4.37Å; L248-A371 HydrophobicContact CD2-CB 3.98Å; V280-A371 CarbonylContact O-C 3.49Å; V280-A371 VanDerWaalsContact O-CA 3.25Å; V280-A371 WeakPolarHBondContact O-CA 3.08Å; V282-A371 HydrophobicContact CG2-CB 4.22Å; L364-A371 HydrophobicContact CB-CB 4.14Å; L364-A371 VanDerWaalsContact CB-O 3.27Å; L364-A371 WeakPolarHBondContact CB-O 3.39Å; L364-A371 PolarHBondContact N-O 2.85Å; L364-A371 PolarHBondContact O-N 3.28Å
372	H	97.3	Very high	94.7	Very high	1 Å²	1	17.4 Å²	17.4	1%	0.005	10%	0.095	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	129.4	171.9	-59.9	-77.7	0	0	0	107.8	V280 I281 V282 H313 I359 T361 T362 D363	V280-H372 PolarHBondContact O-N 2.79Å; I281-H372 CarbonylContact C-O 3.42Å; I281-H372 WeakPolarHBondContact CA-O 3.48Å; I281-H372 HydrophobicContact CD1-CB 3.84Å; V282-H372 PolarHBondContact N-O 2.95Å; H313-H372 PolarHBondContact O-NE2 2.81Å; I359-H372 HydrophobicContact CD1-CB 4.33Å; I359-H372 HydrophobicContact CG2-CB 3.77Å; T361-H372 CarbonylContact O-C 3.57Å; T361-H372 VanDerWaalsContact O-CA 3.29Å; T361-H372 WeakPolarHBondContact O-CA 3.27Å; T362-H372 WeakPolarHBondContact CA-ND1 3.05Å; D363-H372 PolarHBondContact N-CE1 3.13Å; D363-H372 PolarHBondContact N-ND1 2.75Å; D363-H372 IonicContact OD1-CE1 3.11Å; D363-H372 PolarHBondContact OD1-CE1 2.93Å; D363-H372 VanDerWaalsContact OD1-CE1 3.25Å
373	I	97.5	Very high	94.6	Very high	2 Å²	2	15.3 Å²	15.3	1%	0.01	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	129.5	178	-53.5	-179.1	0	0	0	108.9	E253 T254 V282 N284 I359 T360 T361 L364	E253-I373 HydrophobicContact CB-CD1 4.06Å; E253-I373 VanDerWaalsContact OE2-CD1 3.29Å; E253-I373 WeakPolarHBondContact OE2-CD1 3.46Å; T254-I373 HydrophobicContact CG2-CD1 4Å; T254-I373 HydrophobicContact CG2-CG1 4Å; V282-I373 CarbonylContact O-C 3.37Å; V282-I373 VanDerWaalsContact O-CA 3.26Å; V282-I373 WeakPolarHBondContact O-CA 3.19Å; N284-I373 HydrophobicContact CB-CG2 4.03Å; I359-I373 CarbonylContact C-O 3.57Å; I359-I373 WeakPolarHBondContact CA-O 3.42Å; I359-I373 WeakPolarHBondContact CG2-O 3.2Å; T360-I373 PolarHBondContact N-O 3.15Å; T360-I373 PolarHBondContact OG1-O 3.36Å; T361-I373 PolarHBondContact N-O 3.49Å; T361-I373 PolarHBondContact O-N 3.26Å; L364-I373 HydrophobicContact CD1-CD1 3.91Å; L364-I373 HydrophobicContact CD1-CG1 3.92Å
374	I	97.7	Very high	94.5	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	149.2	179.7	-168.2	167.7	0	0	0	110.8	I281 V282 P283 N284 V349 H357 E358 D376 L378	I281-I374 HydrophobicContact CG2-CB 3.8Å; I281-I374 HydrophobicContact CG2-CD1 3.81Å; I281-I374 HydrophobicContact CG2-CG1 4.42Å; I281-I374 HydrophobicContact CG2-CG2 3.7Å; V282-I374 PolarHBondContact O-N 3.33Å; P283-I374 HydrophobicContact CB-CG2 4.43Å; P283-I374 HydrophobicContact CG-CG2 4.21Å; N284-I374 PolarHBondContact N-O 3.28Å; V349-I374 HydrophobicContact CB-CD1 3.93Å; V349-I374 HydrophobicContact CG2-CD1 4.33Å; H357-I374 HydrophobicContact CB-CD1 3.75Å; H357-I374 HydrophobicContact CB-CG1 3.86Å; E358-I374 WeakPolarHBondContact O-CG1 3.37Å; I374-D376 VanDerWaalsContact C-N 3.33Å; I374-D376 WeakPolarHBondContact CG2-O 3.44Å; I374-D376 PolarHBondContact O-N 3.1Å; I374-L378 HydrophobicContact CD1-CD2 4.07Å; I374-L378 HydrophobicContact CD1-CG 4.27Å
375	E	95	Very high	94.2	Very high	83 Å²	83	15 Å²	15	39%	0.388	8%	0.082	S	C	.	.	S	Bend	trans	-66.4	-33.9	-178.6	68.4	-176.5	166.3	0	0	113.3	N284 T287 H357 E358 T360	N284-E375 PolarHBondContact ND2-O 3.36Å; T287-E375 PolarHBondContact OG1-O 2.65Å; H357-E375 WeakPolarHBondContact CA-OE1 3.23Å; H357-E375 HydrophobicContact CB-CG 4.04Å; E358-E375 HydrophobicContact CB-CG 4.47Å; E358-E375 PolarHBondContact N-OE1 3.44Å; E358-E375 PolarHBondContact O-N 2.98Å; T360-E375 HydrophobicContact CG2-CB 3.95Å
376	D	95.1	Very high	94.1	Very high	73 Å²	73	15.1 Å²	15.1	39%	0.39	8%	0.081	S	C	.	.	S	Bend	trans	-138.3	173.8	-176.3	-147.2	-18.3	0	0	0	112.6	T287 H357 I374	T287-D376 WeakPolarHBondContact CG2-OD1 3.42Å; H357-D376 HydrophobicContact CB-CB 4.33Å; H357-D376 IonicContact CE1-OD2 3.38Å; H357-D376 WeakPolarHBondContact ND1-CB 3.5Å; I374-D376 VanDerWaalsContact C-N 3.33Å; I374-D376 WeakPolarHBondContact CG2-O 3.44Å; I374-D376 PolarHBondContact O-N 3.1Å
377	T	94.3	Very high	93.9	Very high	5 Å²	5	22 Å²	22	3%	0.031	11%	0.107	C	C	.	.			trans	-92.1	131.6	-172.3	-53.6	0	0	0	0	112.3	P283 T287 W288 L291 I303 H307 I379	P283-T377 HydrophobicContact CG-CG2 4.35Å; T287-T377 WeakPolarHBondContact CG2-OG1 3.43Å; W288-T377 HydrophobicContact CZ3-CG2 4.24Å; L291-T377 HydrophobicContact CD1-CG2 4.09Å; L291-T377 HydrophobicContact CD2-CG2 3.59Å; L291-T377 HydrophobicContact CG-CG2 4.48Å; I303-T377 HydrophobicContact CG2-CG2 3.41Å; I303-T377 VanDerWaalsContact CG2-CG2 3.41Å; H307-T377 VanDerWaalsContact CE1-CG2 3.41Å; H307-T377 WeakPolarHBondContact CE1-CG2 3.02Å; T377-I379 HydrophobicContact CG2-CD1 3.56Å; T377-I379 HydrophobicContact CG2-CG1 4.42Å; T377-I379 PolarHBondContact O-N 3.07Å
378	L	95.5	Very high	93.7	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.005	12%	0.115	C	C	.	.			trans	-77	84.5	170.2	-55.2	173.9	0	0	0	110.9	I281 N306 H307 L333 V349 T351 I374 P380	I281-L378 HydrophobicContact CB-CD1 4.35Å; I281-L378 HydrophobicContact CG2-CD1 4.08Å; N306-L378 PolarHBondContact ND2-O 3.38Å; H307-L378 PolarHBondContact CE1-N 3.39Å; H307-L378 PolarHBondContact CE1-O 2.71Å; H307-L378 WeakPolarHBondContact NE2-CB 3.23Å; H307-L378 PolarHBondContact NE2-N 3.34Å; L333-L378 HydrophobicContact CD1-CD1 4.06Å; L333-L378 HydrophobicContact CD2-CD1 4.27Å; V349-L378 HydrophobicContact CB-CD1 4.39Å; V349-L378 HydrophobicContact CB-CD2 4.2Å; V349-L378 HydrophobicContact CG1-CD1 3.73Å; V349-L378 HydrophobicContact CG1-CD2 3.98Å; T351-L378 HydrophobicContact CG2-CB 3.98Å; T351-L378 HydrophobicContact CG2-CD2 4.48Å; I374-L378 HydrophobicContact CD1-CD2 4.07Å; I374-L378 HydrophobicContact CD1-CG 4.27Å; L378-P380 VanDerWaalsContact O-CD 3.3Å; L378-P380 WeakPolarHBondContact O-CD 3.47Å
379	I	93.7	Very high	93.5	Very high	38 Å²	38	24.1 Å²	24.1	20%	0.195	12%	0.115	C	C	.	.			trans	-70.4	115.9	177.9	-53.8	-61.6	0	0	0	110	L291 Y295 I303 T351 T377 V383 I384	L291-I379 HydrophobicContact CD1-CD1 3.72Å; Y295-I379 HydrophobicContact CE2-CD1 4.11Å; I303-I379 HydrophobicContact CD1-CD1 3.94Å; I303-I379 HydrophobicContact CG1-CD1 4.3Å; I303-I379 HydrophobicContact CG2-CD1 4.33Å; T351-I379 WeakPolarHBondContact CG2-O 3.38Å; T377-I379 HydrophobicContact CG2-CD1 3.56Å; T377-I379 HydrophobicContact CG2-CG1 4.42Å; T377-I379 PolarHBondContact O-N 3.07Å; I379-V383 HydrophobicContact CG2-CB 4.49Å; I379-I384 HydrophobicContact CG2-CG1 4.4Å
380	P	93.5	Very high	93.3	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	12%	0.122	C	C	.	.			trans	-73.2	157	176.9	30.6	-32.7	0	0	0	111.8	I303 N306 L329 E331 L378 S382 V383	I303-P380 HydrophobicContact CG1-CG 4.41Å; N306-P380 HydrophobicContact CB-CB 3.93Å; N306-P380 HydrophobicContact CB-CG 3.99Å; L329-P380 HydrophobicContact CD2-CB 3.57Å; L329-P380 HydrophobicContact CD2-CG 3.88Å; E331-P380 WeakPolarHBondContact OE2-CA 3.34Å; E331-P380 WeakPolarHBondContact OE2-CB 3.37Å; L378-P380 VanDerWaalsContact O-CD 3.3Å; L378-P380 WeakPolarHBondContact O-CD 3.47Å; P380-S382 PolarHBondContact O-N 3.19Å; P380-V383 HydrophobicContact CG-CB 4.43Å; P380-V383 HydrophobicContact CG-CG2 3.97Å; P380-V383 PolarHBondContact O-N 3.25Å
381	L	90.9	Very high	92.9	Very high	14 Å²	14	31.8 Å²	31.8	7%	0.073	15%	0.152	C	C	.	.	G	3₁₀ helix	trans	-57.8	-34.7	176	-76.1	170.6	0	0	0	113.7	E331 I352 F353 V383 I384 F519 E520	E331-L381 PolarHBondContact OE2-N 3.42Å; I352-L381 HydrophobicContact CD1-CD1 4.19Å; F353-L381 HydrophobicContact CB-CD2 4.17Å; F353-L381 HydrophobicContact CD2-CD1 3.36Å; F353-L381 HydrophobicContact CD2-CD2 3.15Å; F353-L381 HydrophobicContact CD2-CG 3.5Å; F353-L381 VanDerWaalsContact CD2-CG 3.5Å; F353-L381 HydrophobicContact CE2-CD1 3.23Å; F353-L381 HydrophobicContact CE2-CD2 3.69Å; F353-L381 HydrophobicContact CE2-CG 3.9Å; F353-L381 HydrophobicContact CG-CD2 3.77Å; F353-L381 HydrophobicContact CG-CG 4.5Å; F353-L381 HydrophobicContact CZ-CD1 4.44Å; L381-V383 PolarHBondContact O-N 3.1Å; L381-I384 HydrophobicContact CD2-CD1 3.83Å; L381-I384 WeakPolarHBondContact O-CB 3.35Å; L381-I384 PolarHBondContact O-N 3.41Å; L381-F519 HydrophobicContact CD1-CB 4.26Å; L381-F519 HydrophobicContact CD1-CD1 3.6Å; L381-F519 HydrophobicContact CD1-CE1 4.46Å; L381-F519 HydrophobicContact CD1-CG 4.37Å; L381-E520 CarbonylContact C-O 3.57Å
382	S	90.2	Very high	92.4	Very high	19 Å²	19	34.5 Å²	34.5	13%	0.133	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-65.4	-2.1	-178.9	62	0	0	0	0	114.9	R302 L329 P380 E520 D522	R302-S382 PolarHBondContact NE-O 3.32Å; L329-S382 WeakPolarHBondContact CD2-OG 3.3Å; P380-S382 PolarHBondContact O-N 3.19Å; S382-E520 WeakPolarHBondContact CA-O 3.4Å; S382-E520 PolarHBondContact N-O 2.94Å; S382-D522 WeakPolarHBondContact O-CA 3.25Å
383	V	92	Very high	92	Very high	2 Å²	2	40.7 Å²	40.7	1%	0.012	19%	0.193	C	C	.	.	G	3₁₀ helix	trans	-113.8	-10.8	174.2	176.8	0	0	0	0	111.6	Y295 Q299 R302 I303 I379 P380 L381	Y295-V383 HydrophobicContact CD1-CG1 3.57Å; Y295-V383 HydrophobicContact CE1-CG1 3.48Å; Y295-V383 VanDerWaalsContact CE1-CG1 3.48Å; Q299-V383 HydrophobicContact CB-CG1 4.01Å; Q299-V383 HydrophobicContact CB-CG2 4.26Å; Q299-V383 HydrophobicContact CG-CG1 4.04Å; Q299-V383 HydrophobicContact CG-CG2 4.4Å; R302-V383 HydrophobicContact CB-CG2 3.88Å; I303-V383 HydrophobicContact CD1-CG1 4.24Å; I303-V383 HydrophobicContact CG1-CG1 4.4Å; I303-V383 HydrophobicContact CG1-CG2 4.07Å; I379-V383 HydrophobicContact CG2-CB 4.49Å; P380-V383 HydrophobicContact CG-CB 4.43Å; P380-V383 HydrophobicContact CG-CG2 3.97Å; P380-V383 PolarHBondContact O-N 3.25Å; L381-V383 PolarHBondContact O-N 3.1Å
384	I	91	Very high	91.5	Very high	7 Å²	7	43.6 Å²	43.6	4%	0.036	21%	0.206	C	C	.	.	S	Bend	trans	-78.3	133.3	174.6	-60.2	176.6	0	0	0	108.5	I379 L381 E388 L389 Y395 L521 D522	I379-I384 HydrophobicContact CG2-CG1 4.4Å; L381-I384 HydrophobicContact CD2-CD1 3.83Å; L381-I384 WeakPolarHBondContact O-CB 3.35Å; L381-I384 PolarHBondContact O-N 3.41Å; I384-E388 HydrophobicContact CG2-CB 3.95Å; I384-L389 HydrophobicContact CG2-CB 4.5Å; I384-Y395 HydrophobicContact CD1-CE1 4.31Å; I384-Y395 HydrophobicContact CD1-CE2 4.18Å; I384-Y395 HydrophobicContact CG2-CE2 4.24Å; I384-L521 HydrophobicContact CG2-CD2 4.34Å; I384-L521 VanDerWaalsContact O-CB 3.26Å; I384-L521 WeakPolarHBondContact O-CB 3.39Å; I384-L521 WeakPolarHBondContact O-CG 3.04Å; I384-D522 PolarHBondContact O-N 2.99Å
385	T	89.4	Confident	91.2	Very high	36 Å²	36	45.4 Å²	45.4	22%	0.221	21%	0.214	C	C	.	.			trans	-85	155.1	174.9	62.4	0	0	0	0	111.4	R387 E388 L389 D522	T385-R387 PolarHBondContact O-N 2.89Å; T385-E388 PolarHBondContact N-OE2 3.37Å; T385-E388 PolarHBondContact O-N 3.19Å; T385-E388 VanDerWaalsContact O-N 3.09Å; T385-E388 VanDerWaalsContact OG1-CG 3.29Å; T385-E388 WeakPolarHBondContact OG1-CG 3.21Å; T385-E388 PolarHBondContact OG1-N 3.37Å; T385-E388 PolarHBondContact OG1-OE2 3.27Å; T385-L389 PolarHBondContact O-N 3.35Å; T385-D522 HydrophobicContact CG2-CB 4.45Å
386	F	89.9	Confident	90.9	Very high	10 Å²	10	41.5 Å²	41.5	4%	0.044	20%	0.196	C	C	.	.	H	α-helix	trans	-55.5	-36.4	173.8	176.4	-115.5	0	0	0	112.3	L389 I390 L408 M415 I423 D523 V524	F386-L389 WeakPolarHBondContact O-CB 3.49Å; F386-L389 PolarHBondContact O-N 2.69Å; F386-I390 HydrophobicContact CD2-CG2 4.16Å; F386-I390 HydrophobicContact CE1-CD1 4.45Å; F386-I390 HydrophobicContact CE1-CG2 4.06Å; F386-I390 HydrophobicContact CE2-CG2 3.54Å; F386-I390 HydrophobicContact CZ-CG2 3.5Å; F386-I390 VanDerWaalsContact CZ-CG2 3.5Å; F386-I390 PolarHBondContact O-N 3.4Å; F386-L408 HydrophobicContact CE2-CD1 4.2Å; F386-L408 HydrophobicContact CZ-CB 4.36Å; F386-L408 HydrophobicContact CZ-CD1 3.94Å; F386-M415 HydrophobicContact CD1-CE 3.39Å; F386-M415 HydrophobicContact CD1-SD 3.67Å; F386-M415 HydrophobicContact CE1-CE 3.37Å; F386-M415 HydrophobicContact CE1-SD 4.18Å; F386-M415 HydrophobicContact CG-CE 4Å; F386-M415 HydrophobicContact CG-SD 4.29Å; F386-M415 HydrophobicContact CZ-CE 3.96Å; F386-I423 HydrophobicContact CD2-CD1 3.46Å; F386-I423 VanDerWaalsContact CD2-CD1 3.46Å; F386-I423 HydrophobicContact CE1-CD1 4.45Å; F386-I423 HydrophobicContact CE2-CD1 3.21Å; F386-I423 HydrophobicContact CG-CD1 4.2Å; F386-I423 HydrophobicContact CZ-CD1 3.77Å; F386-D523 PolarHBondContact N-OD1 3.47Å; F386-D523 PolarHBondContact N-OD2 3.45Å; F386-V524 HydrophobicContact CB-CG1 3.87Å; F386-V524 HydrophobicContact CB-CG2 3.79Å; F386-V524 HydrophobicContact CD2-CG2 4.06Å; F386-V524 HydrophobicContact CG-CG1 4.27Å; F386-V524 HydrophobicContact CG-CG2 4.22Å
387	R	89.4	Confident	90.8	Very high	146 Å²	146	43 Å²	43	55%	0.551	20%	0.2	S	C	*	.	H	α-helix	trans	-61.6	-45.1	176.1	-179.2	175.1	-64.3	-76.9	-2.5	112.5	T385 L389 I390 Q391	T385-R387 PolarHBondContact O-N 2.89Å; R387-L389 VanDerWaalsContact C-N 3.27Å; R387-L389 PolarHBondContact O-N 2.83Å; R387-I390 WeakPolarHBondContact O-CG1 3.32Å; R387-Q391 WeakPolarHBondContact O-CB 3.47Å; R387-Q391 VanDerWaalsContact O-CG 3.25Å; R387-Q391 WeakPolarHBondContact O-CG 3.41Å; R387-Q391 PolarHBondContact O-N 3.31Å
388	E	89.5	Confident	90.5	Very high	66 Å²	66	46.7 Å²	46.7	31%	0.308	22%	0.216	S	C	.	.	H	α-helix	trans	-65	-36.9	175.6	-72.8	167.6	148.2	0	0	110.9	I384 T385 Q391 N392	I384-E388 HydrophobicContact CG2-CB 3.95Å; T385-E388 PolarHBondContact N-OE2 3.37Å; T385-E388 PolarHBondContact O-N 3.19Å; T385-E388 VanDerWaalsContact O-N 3.09Å; T385-E388 VanDerWaalsContact OG1-CG 3.29Å; T385-E388 WeakPolarHBondContact OG1-CG 3.21Å; T385-E388 PolarHBondContact OG1-N 3.37Å; T385-E388 PolarHBondContact OG1-OE2 3.27Å; E388-Q391 PolarHBondContact O-N 3.29Å; E388-N392 WeakPolarHBondContact O-CB 3.35Å; E388-N392 PolarHBondContact O-N 3.48Å
389	L	90.8	Very high	90.3	Very high	4 Å²	4	47 Å²	47	2%	0.021	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-47.5	178.3	-175.3	142.8	0	0	0	112.9	I384 T385 F386 R387 Q391 L399 L405 L521 I526	I384-L389 HydrophobicContact CG2-CB 4.5Å; T385-L389 PolarHBondContact O-N 3.35Å; F386-L389 WeakPolarHBondContact O-CB 3.49Å; F386-L389 PolarHBondContact O-N 2.69Å; R387-L389 VanDerWaalsContact C-N 3.27Å; R387-L389 PolarHBondContact O-N 2.83Å; L389-Q391 VanDerWaalsContact C-N 3.28Å; L389-Q391 PolarHBondContact O-N 2.05Å; L389-L399 HydrophobicContact CD1-CD1 4.03Å; L389-L405 HydrophobicContact CD2-CD1 3.66Å; L389-L405 HydrophobicContact CD2-CD2 3.37Å; L389-L405 HydrophobicContact CD2-CG 4.16Å; L389-L521 HydrophobicContact CB-CD2 3.84Å; L389-L521 HydrophobicContact CD1-CD1 4.1Å; L389-L521 HydrophobicContact CD1-CD2 3.61Å; L389-L521 HydrophobicContact CD1-CG 4.45Å; L389-L521 HydrophobicContact CG-CD2 4.34Å; L389-I526 HydrophobicContact CD1-CD1 3.43Å; L389-I526 VanDerWaalsContact CD1-CD1 3.43Å; L389-I526 HydrophobicContact CD2-CD1 4.02Å; L389-I526 HydrophobicContact CG-CD1 4.36Å
390	I	91.8	Very high	90.3	Very high	26 Å²	26	51.8 Å²	51.8	13%	0.133	24%	0.237	C	C	.	.	H	α-helix	trans	-70.6	-23.9	179.3	62.6	175.9	0	0	0	112.9	F386 R387 L405 L408 A409	F386-I390 HydrophobicContact CD2-CG2 4.16Å; F386-I390 HydrophobicContact CE1-CD1 4.45Å; F386-I390 HydrophobicContact CE1-CG2 4.06Å; F386-I390 HydrophobicContact CE2-CG2 3.54Å; F386-I390 HydrophobicContact CZ-CG2 3.5Å; F386-I390 VanDerWaalsContact CZ-CG2 3.5Å; F386-I390 PolarHBondContact O-N 3.4Å; R387-I390 WeakPolarHBondContact O-CG1 3.32Å; I390-L405 HydrophobicContact CG2-CD2 4.24Å; I390-L408 HydrophobicContact CG2-CB 4.24Å; I390-A409 HydrophobicContact CB-CB 4.45Å; I390-A409 HydrophobicContact CD1-CB 4.47Å
391	Q	88.2	Confident	90.3	Very high	134 Å²	134	51.8 Å²	51.8	63%	0.626	24%	0.237	S	C	*	.	H	α-helix	trans	-87.2	-21.4	-178.7	-73.1	177.3	-16.7	0	0	113.1	R387 E388 L389	R387-Q391 WeakPolarHBondContact O-CB 3.47Å; R387-Q391 VanDerWaalsContact O-CG 3.25Å; R387-Q391 WeakPolarHBondContact O-CG 3.41Å; R387-Q391 PolarHBondContact O-N 3.31Å; E388-Q391 PolarHBondContact O-N 3.29Å; L389-Q391 VanDerWaalsContact C-N 3.28Å; L389-Q391 PolarHBondContact O-N 2.05Å
392	N	88.5	Confident	90.4	Very high	57 Å²	57	52.3 Å²	52.3	31%	0.305	24%	0.241	S	C	.	.			trans	-101.3	106.6	-177.8	-176.1	-12.8	0	0	0	111.8	E388 Q394 Y395	E388-N392 WeakPolarHBondContact O-CB 3.35Å; E388-N392 PolarHBondContact O-N 3.48Å; N392-Q394 PolarHBondContact O-N 3.25Å; N392-Q394 VanDerWaalsContact OD1-CB 3.3Å; N392-Q394 WeakPolarHBondContact OD1-CB 3.38Å; N392-Q394 PolarHBondContact OD1-N 3.25Å; N392-Y395 HydrophobicContact CB-CD2 3.46Å; N392-Y395 VanDerWaalsContact CB-CD2 3.46Å; N392-Y395 HydrophobicContact CB-CE2 3.66Å; N392-Y395 HydrophobicContact CB-CG 4.24Å; N392-Y395 VanDerWaalsContact ND2-CE2 3.3Å; N392-Y395 WeakPolarHBondContact ND2-CE2 3.29Å; N392-Y395 PolarHBondContact O-N 2.95Å; N392-Y395 VanDerWaalsContact O-N 3.12Å
393	K	87.7	Confident	90.6	Very high	132 Å²	132	55.3 Å²	55.3	57%	0.574	25%	0.253	S	S	*	.	H	α-helix	trans	-54.9	-35.3	179.8	-168.1	-172.5	178.9	-130.8	0	113.6	Y395 G396 E397 T402	K393-Y395 VanDerWaalsContact C-N 3.26Å; K393-Y395 PolarHBondContact O-N 3.23Å; K393-G396 PolarHBondContact O-N 3.49Å; K393-G396 VanDerWaalsContact O-N 3.13Å; K393-E397 WeakPolarHBondContact CE-OE1 3.44Å; K393-E397 IonicContact NZ-OE1 3.4Å; K393-E397 PolarHBondContact NZ-OE1 3.39Å; K393-E397 PolarHBondContact O-N 2.85Å; K393-T402 HydrophobicContact CG-CG2 4.42Å
394	Q	88.3	Confident	90.7	Very high	62 Å²	62	55.3 Å²	55.3	29%	0.29	25%	0.253	S	S	.	.	H	α-helix	trans	-62.3	-35.6	-178.6	-178.1	177	-16.1	0	0	111.8	F353 N392 E397 K398	F353-Q394 PolarHBondContact O-NE2 3.13Å; N392-Q394 PolarHBondContact O-N 3.25Å; N392-Q394 VanDerWaalsContact OD1-CB 3.3Å; N392-Q394 WeakPolarHBondContact OD1-CB 3.38Å; N392-Q394 PolarHBondContact OD1-N 3.25Å; Q394-E397 PolarHBondContact O-N 3.34Å; Q394-K398 VanDerWaalsContact O-CG 3.24Å; Q394-K398 WeakPolarHBondContact O-CG 3.4Å; Q394-K398 PolarHBondContact O-N 3.47Å
395	Y	89.7	Confident	90.9	Very high	38 Å²	38	55.2 Å²	55.2	15%	0.149	25%	0.252	C	S	.	.	H	α-helix	trans	-67.8	-40	176	-59	-33.9	0	0	0	111.6	F353 I384 N392 K393 E397 K398 L399	F353-Y395 HydrophobicContact CB-CD1 3.68Å; F353-Y395 HydrophobicContact CB-CE1 3.68Å; F353-Y395 AromaticContact CD1-CD1 3.96Å; F353-Y395 HydrophobicContact CD1-CD1 3.96Å; F353-Y395 HydrophobicContact CG-CD1 4.16Å; F353-Y395 WeakPolarHBondContact O-CE1 3.45Å; I384-Y395 HydrophobicContact CD1-CE1 4.31Å; I384-Y395 HydrophobicContact CD1-CE2 4.18Å; I384-Y395 HydrophobicContact CG2-CE2 4.24Å; N392-Y395 HydrophobicContact CB-CD2 3.46Å; N392-Y395 VanDerWaalsContact CB-CD2 3.46Å; N392-Y395 HydrophobicContact CB-CE2 3.66Å; N392-Y395 HydrophobicContact CB-CG 4.24Å; N392-Y395 VanDerWaalsContact ND2-CE2 3.3Å; N392-Y395 WeakPolarHBondContact ND2-CE2 3.29Å; N392-Y395 PolarHBondContact O-N 2.95Å; N392-Y395 VanDerWaalsContact O-N 3.12Å; K393-Y395 VanDerWaalsContact C-N 3.26Å; K393-Y395 PolarHBondContact O-N 3.23Å; Y395-E397 PolarHBondContact O-N 3.38Å; Y395-K398 PolarHBondContact O-N 3.16Å; Y395-L399 WeakPolarHBondContact O-CB 3.48Å; Y395-L399 WeakPolarHBondContact O-CG 3.26Å; Y395-L399 PolarHBondContact O-N 2.88Å
396	G	90.5	Very high	91.1	Very high	1 Å²	1	57.9 Å²	57.9	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-59.4	-43.9	172.9	0	0	0	0	0	113.2	K393 K398 L399 K400 A401 T402 L405	K393-G396 PolarHBondContact O-N 3.49Å; K393-G396 VanDerWaalsContact O-N 3.13Å; G396-K398 PolarHBondContact O-N 2.88Å; G396-L399 PolarHBondContact O-N 2.76Å; G396-K400 WeakPolarHBondContact O-CA 3.45Å; G396-K400 PolarHBondContact O-N 3.09Å; G396-A401 PolarHBondContact O-N 3.1Å; G396-T402 VanDerWaalsContact C-OG1 3.25Å; G396-T402 PolarHBondContact O-OG1 3Å; G396-L405 VanDerWaalsContact CA-CD1 3.48Å
397	E	91.4	Very high	91.2	Very high	104 Å²	104	57.9 Å²	57.9	49%	0.486	27%	0.265	S	S	.	.	H	α-helix	trans	-63.8	-40.8	177.4	-69.7	175.6	-178	0	0	111.7	K393 Q394 Y395 K400 T402	K393-E397 WeakPolarHBondContact CE-OE1 3.44Å; K393-E397 IonicContact NZ-OE1 3.4Å; K393-E397 PolarHBondContact NZ-OE1 3.39Å; K393-E397 PolarHBondContact O-N 2.85Å; Q394-E397 PolarHBondContact O-N 3.34Å; Y395-E397 PolarHBondContact O-N 3.38Å; E397-K400 PolarHBondContact O-N 3.1Å; E397-T402 PolarHBondContact N-OG1 3.37Å
398	K	88.6	Confident	91.5	Very high	84 Å²	84	51 Å²	51	37%	0.365	24%	0.239	S	C	.	.	H	α-helix	trans	-68.1	-40.7	177.6	-71.6	-76.4	-172.8	152	0	113	I352 F353 Q394 Y395 G396 K400	I352-K398 PolarHBondContact O-NZ 3.28Å; I352-K398 VanDerWaalsContact O-NZ 3.13Å; F353-K398 HydrophobicContact CD1-CB 3.53Å; F353-K398 HydrophobicContact CD1-CG 4.09Å; F353-K398 HydrophobicContact CE1-CB 3.45Å; F353-K398 VanDerWaalsContact CE1-CB 3.45Å; F353-K398 HydrophobicContact CE1-CG 4.46Å; Q394-K398 VanDerWaalsContact O-CG 3.24Å; Q394-K398 WeakPolarHBondContact O-CG 3.4Å; Q394-K398 PolarHBondContact O-N 3.47Å; Y395-K398 PolarHBondContact O-N 3.16Å; G396-K398 PolarHBondContact O-N 2.88Å; K398-K400 PolarHBondContact O-N 2.71Å
399	L	90.7	Very high	91.6	Very high	7 Å²	7	50 Å²	50	4%	0.037	24%	0.243	C	C	.	.	H	α-helix	trans	-75.4	-12.2	174.3	-69	173.3	0	0	0	112.9	F353 L389 Y395 G396 A401 L425 Q427 F519 V528	F353-L399 HydrophobicContact CE1-CD2 3.78Å; F353-L399 HydrophobicContact CE1-CG 3.7Å; F353-L399 HydrophobicContact CZ-CD2 3.47Å; F353-L399 VanDerWaalsContact CZ-CD2 3.47Å; F353-L399 HydrophobicContact CZ-CG 3.94Å; L389-L399 HydrophobicContact CD1-CD1 4.03Å; Y395-L399 WeakPolarHBondContact O-CB 3.48Å; Y395-L399 WeakPolarHBondContact O-CG 3.26Å; Y395-L399 PolarHBondContact O-N 2.88Å; G396-L399 PolarHBondContact O-N 2.76Å; L399-A401 HydrophobicContact CB-CB 4.11Å; L399-A401 PolarHBondContact O-N 2.92Å; L399-L425 HydrophobicContact CD1-CD2 3.88Å; L399-Q427 PolarHBondContact O-NE2 2.87Å; L399-F519 HydrophobicContact CD2-CD2 3.74Å; L399-F519 HydrophobicContact CD2-CE1 4.44Å; L399-F519 HydrophobicContact CD2-CE2 3.47Å; L399-F519 VanDerWaalsContact CD2-CE2 3.47Å; L399-F519 HydrophobicContact CD2-CG 4.34Å; L399-F519 HydrophobicContact CD2-CZ 3.85Å; L399-V528 HydrophobicContact CD2-CG2 4.05Å
400	K	93.6	Very high	91.7	Very high	139 Å²	139	54 Å²	54	60%	0.604	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.7	41.6	-169.5	-53.3	176.5	-178.7	175.3	0	111.6	G396 E397 K398 Q427 D428	G396-K400 WeakPolarHBondContact O-CA 3.45Å; G396-K400 PolarHBondContact O-N 3.09Å; E397-K400 PolarHBondContact O-N 3.1Å; K398-K400 PolarHBondContact O-N 2.71Å; K400-Q427 CarbonylContact O-C 3.1Å; K400-Q427 WeakPolarHBondContact O-CA 3.39Å; K400-Q427 VanDerWaalsContact O-CB 3.26Å; K400-Q427 WeakPolarHBondContact O-CB 3.01Å; K400-D428 VanDerWaalsContact C-OD2 3.32Å; K400-D428 PolarHBondContact O-N 3.2Å
401	A	94.3	Very high	91.8	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	26%	0.258	C	S	.	.			trans	-134	28.8	-174.7	0	0	0	0	0	111.4	G396 L399 E403 F404 L405 L425 P426 D428	G396-A401 PolarHBondContact O-N 3.1Å; L399-A401 HydrophobicContact CB-CB 4.11Å; L399-A401 PolarHBondContact O-N 2.92Å; A401-E403 VanDerWaalsContact C-N 3.29Å; A401-E403 PolarHBondContact O-N 3.19Å; A401-F404 PolarHBondContact O-N 3.26Å; A401-L405 VanDerWaalsContact O-CG 3.29Å; A401-L405 WeakPolarHBondContact O-CG 3.1Å; A401-L405 PolarHBondContact O-N 2.84Å; A401-L425 HydrophobicContact CB-CD1 4.13Å; A401-L425 HydrophobicContact CB-CD2 3.7Å; A401-L425 HydrophobicContact CB-CG 3.73Å; A401-P426 WeakPolarHBondContact CB-O 3.27Å; A401-D428 WeakPolarHBondContact CA-OD1 3.42Å
402	T	94	Very high	91.8	Very high	24 Å²	24	51.5 Å²	51.5	15%	0.147	25%	0.253	C	S	.	.	H	α-helix	trans	-58.7	-42.4	-174.1	-49.3	0	0	0	0	111.6	K393 G396 E397 N406 D428	K393-T402 HydrophobicContact CG-CG2 4.42Å; G396-T402 VanDerWaalsContact C-OG1 3.25Å; G396-T402 PolarHBondContact O-OG1 3Å; E397-T402 PolarHBondContact N-OG1 3.37Å; T402-N406 WeakPolarHBondContact O-CB 3.39Å; T402-N406 PolarHBondContact O-N 3Å; T402-N406 PolarHBondContact O-ND2 3.32Å; T402-D428 PolarHBondContact N-OD1 3.34Å; T402-D428 PolarHBondContact N-OD2 3.42Å
403	E	92.5	Very high	91.7	Very high	83 Å²	83	49.6 Å²	49.6	39%	0.388	24%	0.243	S	C	.	.	H	α-helix	trans	-65.2	-45.6	-177.1	-172.5	176.8	169.8	0	0	111.5	A401 N406 L407 D428 M431	A401-E403 VanDerWaalsContact C-N 3.29Å; A401-E403 PolarHBondContact O-N 3.19Å; E403-N406 PolarHBondContact O-N 3.19Å; E403-L407 PolarHBondContact O-N 2.93Å; E403-D428 WeakPolarHBondContact CB-OD1 3.46Å; E403-D428 PolarHBondContact N-OD1 2.73Å; E403-M431 HydrophobicContact CG-CE 4.44Å; E403-M431 HydrophobicContact CG-CG 4.49Å; E403-M431 WeakPolarHBondContact OE2-CG 3.42Å
404	F	94.7	Very high	91.5	Very high	2 Å²	2	50.9 Å²	50.9	1%	0.009	25%	0.248	C	C	.	.	H	α-helix	trans	-74.5	-33.8	-178.5	-159	-88.7	0	0	0	112.6	A401 N406 L407 L408 L425 P426 M431 A458 H461 I532	A401-F404 PolarHBondContact O-N 3.26Å; F404-N406 VanDerWaalsContact C-N 3.34Å; F404-L407 HydrophobicContact CD2-CD2 3.99Å; F404-L407 HydrophobicContact CE2-CD2 3.9Å; F404-L407 HydrophobicContact CZ-CD2 4.46Å; F404-L407 WeakPolarHBondContact O-CB 3.06Å; F404-L407 PolarHBondContact O-N 2.95Å; F404-L408 HydrophobicContact CD1-CD1 3.75Å; F404-L408 HydrophobicContact CD1-CG 3.9Å; F404-L408 HydrophobicContact CE1-CD1 3.88Å; F404-L408 HydrophobicContact CE1-CD2 4Å; F404-L408 HydrophobicContact CE1-CG 3.89Å; F404-L408 WeakPolarHBondContact O-CG 3.47Å; F404-L408 PolarHBondContact O-N 3.37Å; F404-L425 HydrophobicContact CB-CD1 4.26Å; F404-L425 HydrophobicContact CD1-CD1 3.64Å; F404-L425 HydrophobicContact CE1-CD1 4.44Å; F404-L425 HydrophobicContact CG-CD1 4.34Å; F404-P426 VanDerWaalsContact CD1-CD 3.48Å; F404-P426 HydrophobicContact CD1-CG 4.35Å; F404-P426 HydrophobicContact CD2-CB 4.05Å; F404-P426 HydrophobicContact CD2-CG 3.71Å; F404-P426 HydrophobicContact CE1-CG 4.26Å; F404-P426 HydrophobicContact CE2-CB 4.43Å; F404-P426 HydrophobicContact CE2-CG 3.63Å; F404-P426 HydrophobicContact CG-CB 4.31Å; F404-P426 HydrophobicContact CG-CG 4.05Å; F404-P426 HydrophobicContact CZ-CG 3.9Å; F404-M431 HydrophobicContact CD2-CE 3.97Å; F404-A458 HydrophobicContact CZ-CB 4.49Å; F404-H461 HydrophobicContact CE1-CB 4.14Å; F404-H461 HydrophobicContact CZ-CB 3.85Å; F404-H461 AromaticContact CZ-CG 3.62Å; F404-H461 AromaticContact CZ-ND1 3.56Å; F404-I532 HydrophobicContact CD2-CD1 4.16Å; F404-I532 HydrophobicContact CE2-CD1 3.82Å; F404-I532 HydrophobicContact CE2-CG1 4.42Å
405	L	94.5	Very high	91.3	Very high	5 Å²	5	50.2 Å²	50.2	3%	0.026	25%	0.246	C	C	.	.	H	α-helix	trans	-64.3	-39.8	172.2	-67.7	-176.7	0	0	0	112	L389 I390 G396 A401 L407 L408 A409 L425	L389-L405 HydrophobicContact CD2-CD1 3.66Å; L389-L405 HydrophobicContact CD2-CD2 3.37Å; L389-L405 HydrophobicContact CD2-CG 4.16Å; I390-L405 HydrophobicContact CG2-CD2 4.24Å; G396-L405 VanDerWaalsContact CA-CD1 3.48Å; A401-L405 VanDerWaalsContact O-CG 3.29Å; A401-L405 WeakPolarHBondContact O-CG 3.1Å; A401-L405 PolarHBondContact O-N 2.84Å; L405-L407 VanDerWaalsContact C-N 3.3Å; L405-L407 PolarHBondContact O-N 3.09Å; L405-L408 HydrophobicContact CD2-CD1 4.14Å; L405-L408 PolarHBondContact O-N 3.03Å; L405-A409 PolarHBondContact O-N 3.4Å; L405-L425 HydrophobicContact CD2-CD1 3.63Å; L405-L425 HydrophobicContact CD2-CD2 3.91Å; L405-L425 HydrophobicContact CD2-CG 4.45Å; L405-L425 HydrophobicContact CG-CD1 4.24Å; L405-L425 HydrophobicContact CG-CD2 4.41Å
406	N	93.6	Very high	90.9	Very high	91 Å²	91	53.7 Å²	53.7	49%	0.487	26%	0.263	S	S	.	.	H	α-helix	trans	-61.9	-39.7	173.3	-72.2	-22.3	0	0	0	111.6	T402 E403 F404 A409 E410	T402-N406 WeakPolarHBondContact O-CB 3.39Å; T402-N406 PolarHBondContact O-N 3Å; T402-N406 PolarHBondContact O-ND2 3.32Å; E403-N406 PolarHBondContact O-N 3.19Å; F404-N406 VanDerWaalsContact C-N 3.34Å; N406-A409 PolarHBondContact O-N 3.37Å; N406-E410 PolarHBondContact O-N 3.37Å
407	L	94	Very high	90.3	Very high	10 Å²	10	62.3 Å²	62.3	5%	0.052	31%	0.308	C	S	.	.	H	α-helix	trans	-61.2	-45.6	173.8	172.7	67.1	0	0	0	111.8	E403 F404 L405 A409 E410 C411 F447 R454 A458	E403-L407 PolarHBondContact O-N 2.93Å; F404-L407 HydrophobicContact CD2-CD2 3.99Å; F404-L407 HydrophobicContact CE2-CD2 3.9Å; F404-L407 HydrophobicContact CZ-CD2 4.46Å; F404-L407 WeakPolarHBondContact O-CB 3.06Å; F404-L407 PolarHBondContact O-N 2.95Å; L405-L407 VanDerWaalsContact C-N 3.3Å; L405-L407 PolarHBondContact O-N 3.09Å; L407-A409 VanDerWaalsContact C-N 3.26Å; L407-A409 PolarHBondContact O-N 3.21Å; L407-E410 PolarHBondContact O-N 2.96Å; L407-C411 WeakPolarHBondContact O-CB 3.26Å; L407-C411 PolarHBondContact O-N 2.88Å; L407-C411 PolarHBondContact O-SG 3.44Å; L407-F447 HydrophobicContact CD1-CZ 4.5Å; L407-F447 HydrophobicContact CD2-CE2 3.9Å; L407-F447 HydrophobicContact CD2-CZ 3.7Å; L407-R454 HydrophobicContact CD1-CB 3.75Å; L407-A458 HydrophobicContact CD2-CB 3.75Å; L407-A458 HydrophobicContact CG-CB 3.88Å
408	L	93.8	Very high	89.6	Confident	1 Å²	1	61 Å²	61	1%	0.005	32%	0.323	C	S	.	.	H	α-helix	trans	-60.4	-38.2	177.2	-69.8	170.7	0	0	0	111.7	F386 I390 F404 L405 I413 L425 A458 I462	F386-L408 HydrophobicContact CE2-CD1 4.2Å; F386-L408 HydrophobicContact CZ-CB 4.36Å; F386-L408 HydrophobicContact CZ-CD1 3.94Å; I390-L408 HydrophobicContact CG2-CB 4.24Å; F404-L408 HydrophobicContact CD1-CD1 3.75Å; F404-L408 HydrophobicContact CD1-CG 3.9Å; F404-L408 HydrophobicContact CE1-CD1 3.88Å; F404-L408 HydrophobicContact CE1-CD2 4Å; F404-L408 HydrophobicContact CE1-CG 3.89Å; F404-L408 WeakPolarHBondContact O-CG 3.47Å; F404-L408 PolarHBondContact O-N 3.37Å; L405-L408 HydrophobicContact CD2-CD1 4.14Å; L405-L408 PolarHBondContact O-N 3.03Å; L408-I413 HydrophobicContact CD2-CD1 4.5Å; L408-I413 HydrophobicContact CD2-CG1 3.94Å; L408-L425 HydrophobicContact CD1-CD1 4.28Å; L408-A458 HydrophobicContact CD2-CB 4.08Å; L408-I462 HydrophobicContact CD2-CD1 3.85Å
409	A	92.8	Very high	89.1	Confident	47 Å²	47	60.1 Å²	60.1	39%	0.388	32%	0.32	S	S	.	.	H	α-helix	trans	-67	-44.1	173.3	0	0	0	0	0	112.5	I390 L405 N406 L407 C411 D412	I390-A409 HydrophobicContact CB-CB 4.45Å; I390-A409 HydrophobicContact CD1-CB 4.47Å; L405-A409 PolarHBondContact O-N 3.4Å; N406-A409 PolarHBondContact O-N 3.37Å; L407-A409 VanDerWaalsContact C-N 3.26Å; L407-A409 PolarHBondContact O-N 3.21Å; A409-C411 VanDerWaalsContact C-N 3.27Å; A409-C411 PolarHBondContact O-N 3.2Å; A409-D412 PolarHBondContact O-N 3.42Å
410	E	93.2	Very high	88.6	Confident	88 Å²	88	64.1 Å²	64.1	41%	0.411	34%	0.338	S	S	.	.	H	α-helix	trans	-59.9	-37.9	177.2	-175.7	-170	160.2	0	0	112	N406 L407 D412 K451 R454	N406-E410 PolarHBondContact O-N 3.37Å; L407-E410 PolarHBondContact O-N 2.96Å; E410-D412 VanDerWaalsContact C-N 3.29Å; E410-D412 PolarHBondContact O-N 2.91Å; E410-K451 VanDerWaalsContact OE1-CE 3.31Å; E410-K451 WeakPolarHBondContact OE1-CE 3.44Å; E410-R454 IonicContact OE1-NH2 3.65Å; E410-R454 PolarHBondContact OE1-NH2 2.81Å; E410-R454 VanDerWaalsContact OE1-NH2 3.16Å
411	C	93	Very high	88.2	Confident	9 Å²	9	58 Å²	58	6%	0.061	31%	0.311	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-0.9	-174.6	-69	0	0	0	0	115	L407 A409 I413 C455	L407-C411 WeakPolarHBondContact O-CB 3.26Å; L407-C411 PolarHBondContact O-N 2.88Å; L407-C411 PolarHBondContact O-SG 3.44Å; A409-C411 VanDerWaalsContact C-N 3.27Å; A409-C411 PolarHBondContact O-N 3.2Å; C411-I413 HydrophobicContact CB-CD1 3.87Å; C411-I413 HydrophobicContact CB-CG1 4.32Å; C411-I413 PolarHBondContact O-N 2.97Å; C411-C455 WeakPolarHBondContact CA-SG 3.35Å; C411-C455 HydrophobicContact CB-CB 3.74Å; C411-C455 WeakPolarHBondContact CB-SG 3.46Å; C411-C455 WeakPolarHBondContact SG-CA 3.37Å; C411-C455 WeakPolarHBondContact SG-CB 3.21Å; C411-C455 CovalentContact SG-SG 2.05Å; C411-C455 PolarHBondContact SG-SG 3.01Å
412	D	88.8	Confident	87.9	Confident	97 Å²	97	58 Å²	58	52%	0.519	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	44.8	57.3	-179.7	-172.6	41.8	0	0	0	112.3	A409 E410 K414	A409-D412 PolarHBondContact O-N 3.42Å; E410-D412 VanDerWaalsContact C-N 3.29Å; E410-D412 PolarHBondContact O-N 2.91Å; D412-K414 PolarHBondContact O-N 3.2Å; D412-K414 VanDerWaalsContact OD2-CE 3.3Å; D412-K414 WeakPolarHBondContact OD2-CE 3.18Å
413	I	86.5	Confident	87.8	Confident	18 Å²	18	56.9 Å²	56.9	9%	0.092	30%	0.304	C	S	.	.			trans	-64.1	118.4	-176.7	-57.9	-61.5	0	0	0	110.4	L408 C411 M415 R459 I462 M485	L408-I413 HydrophobicContact CD2-CD1 4.5Å; L408-I413 HydrophobicContact CD2-CG1 3.94Å; C411-I413 HydrophobicContact CB-CD1 3.87Å; C411-I413 HydrophobicContact CB-CG1 4.32Å; C411-I413 PolarHBondContact O-N 2.97Å; I413-M415 HydrophobicContact CG2-CE 4.45Å; I413-M415 HydrophobicContact CG2-CG 4.45Å; I413-R459 HydrophobicContact CD1-CG 3.64Å; I413-I462 HydrophobicContact CB-CD1 4.45Å; I413-I462 HydrophobicContact CD1-CD1 4.47Å; I413-I462 HydrophobicContact CG1-CD1 4.22Å; I413-I462 HydrophobicContact CG2-CD1 3.57Å; I413-M485 HydrophobicContact CG2-CE 3.57Å; I413-M485 HydrophobicContact CG2-SD 3.5Å; I413-M485 VanDerWaalsContact CG2-SD 3.5Å
414	K	83.4	Confident	87.7	Confident	159 Å²	159	53 Å²	53	69%	0.691	29%	0.285	S	S	*	.			trans	-97.3	98.1	-179.4	-63.2	-177.4	-177.3	178.4	0	111.4	D412 M485	D412-K414 PolarHBondContact O-N 3.2Å; D412-K414 VanDerWaalsContact OD2-CE 3.3Å; D412-K414 WeakPolarHBondContact OD2-CE 3.18Å; K414-M485 WeakPolarHBondContact O-CE 3.35Å
415	M	83.8	Confident	87.7	Confident	48 Å²	48	52.9 Å²	52.9	24%	0.236	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-80.7	141.1	171.5	-68.5	176.1	-178.8	0	0	110.7	F386 I413 Y421 I423 I462 M485 V524	F386-M415 HydrophobicContact CD1-CE 3.39Å; F386-M415 HydrophobicContact CD1-SD 3.67Å; F386-M415 HydrophobicContact CE1-CE 3.37Å; F386-M415 HydrophobicContact CE1-SD 4.18Å; F386-M415 HydrophobicContact CG-CE 4Å; F386-M415 HydrophobicContact CG-SD 4.29Å; F386-M415 HydrophobicContact CZ-CE 3.96Å; I413-M415 HydrophobicContact CG2-CE 4.45Å; I413-M415 HydrophobicContact CG2-CG 4.45Å; M415-Y421 HydrophobicContact CB-CD2 4.1Å; M415-Y421 HydrophobicContact CB-CE2 3.62Å; M415-Y421 HydrophobicContact CG-CD2 4.02Å; M415-Y421 HydrophobicContact CG-CE2 3.94Å; M415-Y421 HydrophobicContact CG-CG 4.36Å; M415-Y421 HydrophobicContact SD-CD2 4Å; M415-Y421 HydrophobicContact SD-CE2 4.47Å; M415-Y421 HydrophobicContact SD-CG 4.26Å; M415-I423 HydrophobicContact CE-CD1 3.84Å; M415-I423 HydrophobicContact CE-CG1 4.5Å; M415-I462 HydrophobicContact CE-CD1 4.27Å; M415-I462 HydrophobicContact CE-CG2 4.05Å; M415-M485 HydrophobicContact CG-SD 4.41Å; M415-V524 HydrophobicContact CE-CG1 4.11Å; M415-V524 HydrophobicContact SD-CG1 3.78Å
416	E	81.1	Confident	87.7	Confident	110 Å²	110	52.7 Å²	52.7	51%	0.514	28%	0.284	S	S	.	.	P	Polyproline II helix	trans	-75.7	138	177.8	-63.6	175.8	161.7	0	0	110.2	E419 Y421 K464	E416-E419 HydrophobicContact CB-CB 4.13Å; E416-E419 HydrophobicContact CB-CG 3.76Å; E416-E419 PolarHBondContact O-N 3.42Å; E416-Y421 WeakPolarHBondContact CB-OH 3.31Å; E416-Y421 PolarHBondContact N-OH 3.24Å; E416-K464 IonicContact OE2-NZ 3.45Å; E416-K464 PolarHBondContact OE2-NZ 3.33Å
417	L	77.9	Confident	87.8	Confident	182 Å²	182	50.7 Å²	50.7	95%	0.953	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.1	134.2	-179.8	-169.7	72.5	0	0	0	110.7	E419	L417-E419 PolarHBondContact O-N 2.99Å
418	G	76.2	Confident	87.9	Confident	78 Å²	78	52.8 Å²	52.8	80%	0.804	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	-10.2	179.9	0	0	0	0	0	114.2
419	E	78.5	Confident	87.9	Confident	65 Å²	65	55.8 Å²	55.8	30%	0.304	30%	0.304	S	S	.	.			trans	-83.9	152.4	172.9	-65.9	-67.1	-176.5	0	0	111.2	E416 L417 Y421 K464	E416-E419 HydrophobicContact CB-CB 4.13Å; E416-E419 HydrophobicContact CB-CG 3.76Å; E416-E419 PolarHBondContact O-N 3.42Å; L417-E419 PolarHBondContact O-N 2.99Å; E419-Y421 HydrophobicContact CB-CE2 3.69Å; E419-K464 WeakPolarHBondContact OE1-CE 3.45Å; E419-K464 IonicContact OE1-NZ 3.19Å; E419-K464 PolarHBondContact OE1-NZ 3.12Å; E419-K464 WeakPolarHBondContact OE2-CE 3.38Å; E419-K464 IonicContact OE2-NZ 2.76Å; E419-K464 PolarHBondContact OE2-NZ 3.18Å
420	K	80.1	Confident	87.9	Confident	91 Å²	91	53.5 Å²	53.5	40%	0.396	29%	0.286	S	S	.	.			trans	-108.2	137.3	-179.9	-76.6	-168.1	-145.2	160.2	0	109.7	S465 N466 R468	K420-S465 CarbonylContact C-O 3.4Å; K420-S465 WeakPolarHBondContact CB-O 3.34Å; K420-S465 CarbonylContact O-C 3.54Å; K420-S465 PolarHBondContact O-N 2.99Å; K420-N466 WeakPolarHBondContact CD-O 3.24Å; K420-N466 WeakPolarHBondContact CE-O 3.19Å; K420-N466 PolarHBondContact NZ-O 3.17Å; K420-R468 HydrophobicContact CB-CG 3.66Å; K420-R468 HydrophobicContact CD-CG 3.89Å; K420-R468 HydrophobicContact CG-CG 4.06Å
421	Y	86.4	Confident	87.8	Confident	10 Å²	10	50 Å²	50	4%	0.039	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	147	-176	-63.2	-87.7	0	0	0	112	M415 E416 E419 I462 M463 K464 M485 V524 T525	M415-Y421 HydrophobicContact CB-CD2 4.1Å; M415-Y421 HydrophobicContact CB-CE2 3.62Å; M415-Y421 HydrophobicContact CG-CD2 4.02Å; M415-Y421 HydrophobicContact CG-CE2 3.94Å; M415-Y421 HydrophobicContact CG-CG 4.36Å; M415-Y421 HydrophobicContact SD-CD2 4Å; M415-Y421 HydrophobicContact SD-CE2 4.47Å; M415-Y421 HydrophobicContact SD-CG 4.26Å; E416-Y421 WeakPolarHBondContact CB-OH 3.31Å; E416-Y421 PolarHBondContact N-OH 3.24Å; E419-Y421 HydrophobicContact CB-CE2 3.69Å; Y421-I462 HydrophobicContact CD1-CG2 3.91Å; Y421-I462 HydrophobicContact CG-CG2 4.49Å; Y421-M463 WeakPolarHBondContact CA-O 3.05Å; Y421-K464 HydrophobicContact CD1-CB 4.4Å; Y421-K464 HydrophobicContact CE1-CB 4.13Å; Y421-K464 HydrophobicContact CE1-CG 4.34Å; Y421-M485 HydrophobicContact CE1-SD 4.44Å; Y421-V524 WeakPolarHBondContact O-CA 3.46Å; Y421-T525 PolarHBondContact O-N 3.31Å
422	A	88	Confident	87.7	Confident	0 Å²	0	57.2 Å²	57.2	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	138.6	165.9	0	0	0	0	0	108.8	M463 R468 L469 T525 Y527	A422-M463 HydrophobicContact CB-CE 3.87Å; A422-M463 PolarHBondContact N-O 3.33Å; A422-M463 PolarHBondContact O-N 2.97Å; A422-R468 WeakPolarHBondContact CB-O 3.4Å; A422-L469 HydrophobicContact CB-CB 4.14Å; A422-L469 HydrophobicContact CB-CD1 3.54Å; A422-L469 HydrophobicContact CB-CG 3.76Å; A422-T525 CarbonylContact C-O 3.58Å; A422-T525 WeakPolarHBondContact CA-O 3.45Å; A422-Y527 HydrophobicContact CB-CE2 4.33Å
423	I	90.9	Very high	87.8	Confident	1 Å²	1	54.5 Å²	54.5	1%	0.005	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	118.3	179.9	-52.9	179.7	0	0	0	108.3	F386 M415 L425 H461 I462 V524 T525 I526 Y527	F386-I423 HydrophobicContact CD2-CD1 3.46Å; F386-I423 VanDerWaalsContact CD2-CD1 3.46Å; F386-I423 HydrophobicContact CE1-CD1 4.45Å; F386-I423 HydrophobicContact CE2-CD1 3.21Å; F386-I423 HydrophobicContact CG-CD1 4.2Å; F386-I423 HydrophobicContact CZ-CD1 3.77Å; M415-I423 HydrophobicContact CE-CD1 3.84Å; M415-I423 HydrophobicContact CE-CG1 4.5Å; I423-L425 HydrophobicContact CG2-CB 4.31Å; I423-L425 PolarHBondContact O-N 3.05Å; I423-H461 WeakPolarHBondContact CA-O 3.49Å; I423-I462 HydrophobicContact CG1-CG1 4.36Å; I423-I462 HydrophobicContact CG1-CG2 4.31Å; I423-I462 HydrophobicContact CG2-CG1 4.38Å; I423-V524 HydrophobicContact CD1-CB 4.29Å; I423-V524 HydrophobicContact CD1-CG1 4.39Å; I423-V524 HydrophobicContact CD1-CG2 4.11Å; I423-T525 PolarHBondContact N-O 2.78Å; I423-I526 HydrophobicContact CB-CG1 4.48Å; I423-Y527 PolarHBondContact O-N 3.42Å
424	V	90.5	Very high	88.1	Confident	0 Å²	0	53.6 Å²	53.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	92.8	167.2	-176.5	0	0	0	0	107.4	P426 H461 M463 F508 I513 Y527 T529	V424-P426 WeakPolarHBondContact O-CD 3.41Å; V424-H461 PolarHBondContact N-O 3.01Å; V424-H461 WeakPolarHBondContact O-CB 3.3Å; V424-H461 PolarHBondContact O-CD2 3.22Å; V424-M463 HydrophobicContact CG2-CE 3.46Å; V424-M463 VanDerWaalsContact CG2-CE 3.46Å; V424-M463 HydrophobicContact CG2-SD 4.02Å; V424-F508 HydrophobicContact CB-CD1 4.43Å; V424-F508 HydrophobicContact CG2-CB 4.44Å; V424-F508 HydrophobicContact CG2-CD1 3.79Å; V424-F508 HydrophobicContact CG2-CE1 4.13Å; V424-F508 HydrophobicContact CG2-CG 4.06Å; V424-I513 HydrophobicContact CG2-CD1 4.21Å; V424-Y527 CarbonylContact C-O 3.49Å; V424-Y527 WeakPolarHBondContact CA-O 3.45Å; V424-T529 HydrophobicContact CG1-CG2 3.48Å; V424-T529 VanDerWaalsContact CG1-CG2 3.48Å
425	L	94.2	Very high	88.5	Confident	1 Å²	1	48.3 Å²	48.3	1%	0.005	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	111.6	-171.1	179.6	62.1	0	0	0	111.8	L399 A401 F404 L405 L408 I423 I526 Y527 V528 T529	L399-L425 HydrophobicContact CD1-CD2 3.88Å; A401-L425 HydrophobicContact CB-CD1 4.13Å; A401-L425 HydrophobicContact CB-CD2 3.7Å; A401-L425 HydrophobicContact CB-CG 3.73Å; F404-L425 HydrophobicContact CB-CD1 4.26Å; F404-L425 HydrophobicContact CD1-CD1 3.64Å; F404-L425 HydrophobicContact CE1-CD1 4.44Å; F404-L425 HydrophobicContact CG-CD1 4.34Å; L405-L425 HydrophobicContact CD2-CD1 3.63Å; L405-L425 HydrophobicContact CD2-CD2 3.91Å; L405-L425 HydrophobicContact CD2-CG 4.45Å; L405-L425 HydrophobicContact CG-CD1 4.24Å; L405-L425 HydrophobicContact CG-CD2 4.41Å; L408-L425 HydrophobicContact CD1-CD1 4.28Å; I423-L425 HydrophobicContact CG2-CB 4.31Å; I423-L425 PolarHBondContact O-N 3.05Å; L425-I526 HydrophobicContact CB-CG2 3.69Å; L425-I526 HydrophobicContact CD2-CG2 3.76Å; L425-I526 HydrophobicContact CG-CG2 4.39Å; L425-Y527 PolarHBondContact N-O 2.98Å; L425-V528 WeakPolarHBondContact O-CA 3.43Å; L425-T529 PolarHBondContact O-N 3.45Å
426	P	95.7	Very high	88.9	Confident	1 Å²	1	50.6 Å²	50.6	1%	0.006	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	133	175.4	-19.3	35.9	0	0	0	112.5	A401 F404 V424 H461 T529 I532	A401-P426 WeakPolarHBondContact CB-O 3.27Å; F404-P426 VanDerWaalsContact CD1-CD 3.48Å; F404-P426 HydrophobicContact CD1-CG 4.35Å; F404-P426 HydrophobicContact CD2-CB 4.05Å; F404-P426 HydrophobicContact CD2-CG 3.71Å; F404-P426 HydrophobicContact CE1-CG 4.26Å; F404-P426 HydrophobicContact CE2-CB 4.43Å; F404-P426 HydrophobicContact CE2-CG 3.63Å; F404-P426 HydrophobicContact CG-CB 4.31Å; F404-P426 HydrophobicContact CG-CG 4.05Å; F404-P426 HydrophobicContact CZ-CG 3.9Å; V424-P426 WeakPolarHBondContact O-CD 3.41Å; P426-H461 VanDerWaalsContact CG-CD2 3.45Å; P426-H461 WeakPolarHBondContact CG-CD2 3.38Å; P426-H461 WeakPolarHBondContact CG-NE2 3.3Å; P426-T529 WeakPolarHBondContact CA-O 3.39Å; P426-T529 HydrophobicContact CB-CG2 4.25Å; P426-T529 HydrophobicContact CG-CG2 4.2Å; P426-I532 HydrophobicContact CB-CB 4.29Å; P426-I532 HydrophobicContact CB-CG1 4.48Å; P426-I532 HydrophobicContact CG-CB 4.31Å; P426-I532 HydrophobicContact CG-CD1 4.49Å; P426-I532 HydrophobicContact CG-CG1 4.1Å
427	Q	95.5	Very high	89.2	Confident	49 Å²	49	47.8 Å²	47.8	23%	0.229	26%	0.262	C	S	.	.			trans	-71	160.3	169.5	-67.1	-171.8	-46.9	0	0	111.2	L399 K400 S429 S430 V528 T529	L399-Q427 PolarHBondContact O-NE2 2.87Å; K400-Q427 CarbonylContact O-C 3.1Å; K400-Q427 WeakPolarHBondContact O-CA 3.39Å; K400-Q427 VanDerWaalsContact O-CB 3.26Å; K400-Q427 WeakPolarHBondContact O-CB 3.01Å; Q427-S429 WeakPolarHBondContact CB-OG 3.42Å; Q427-S429 PolarHBondContact O-N 3.06Å; Q427-S429 VanDerWaalsContact O-N 3.15Å; Q427-S430 PolarHBondContact N-OG 2.78Å; Q427-S430 VanDerWaalsContact N-OG 3.13Å; Q427-S430 WeakPolarHBondContact O-CA 3.47Å; Q427-S430 WeakPolarHBondContact O-CB 3.45Å; Q427-S430 PolarHBondContact O-N 3.13Å; Q427-S430 PolarHBondContact O-OG 2.8Å; Q427-V528 HydrophobicContact CG-CG1 3.23Å; Q427-T529 WeakPolarHBondContact CG-O 3.05Å; Q427-T529 PolarHBondContact N-O 3.4Å
428	D	94.9	Very high	89.7	Confident	53 Å²	53	43.8 Å²	43.8	28%	0.283	25%	0.25	S	C	.	.	H	α-helix	trans	-57.3	-30.7	175.7	-58.1	-29.8	0	0	0	111.3	K400 A401 T402 E403 S430 M431	K400-D428 VanDerWaalsContact C-OD2 3.32Å; K400-D428 PolarHBondContact O-N 3.2Å; A401-D428 WeakPolarHBondContact CA-OD1 3.42Å; T402-D428 PolarHBondContact N-OD1 3.34Å; T402-D428 PolarHBondContact N-OD2 3.42Å; E403-D428 WeakPolarHBondContact CB-OD1 3.46Å; E403-D428 PolarHBondContact N-OD1 2.73Å; D428-S430 PolarHBondContact O-N 3.36Å; D428-M431 PolarHBondContact O-N 3.41Å
429	S	94.7	Very high	90.1	Very high	64 Å²	64	42.3 Å²	42.3	45%	0.448	22%	0.222	S	C	.	.	H	α-helix	trans	-63.3	-23	172.5	54	0	0	0	0	113.9	Q427 M431 K432 W433	Q427-S429 WeakPolarHBondContact CB-OG 3.42Å; Q427-S429 PolarHBondContact O-N 3.06Å; Q427-S429 VanDerWaalsContact O-N 3.15Å; S429-M431 VanDerWaalsContact C-N 3.34Å; S429-M431 PolarHBondContact O-N 3.39Å; S429-K432 PolarHBondContact O-N 2.97Å; S429-W433 PolarHBondContact O-N 3.13Å; S429-W433 VanDerWaalsContact O-N 3.1Å
430	S	93.6	Very high	90.6	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	21%	0.207	C	C	.	.	H	α-helix	trans	-66.4	-35.2	179.2	-46.8	0	0	0	0	112.1	Q427 D428 W433 W434 T529 P530 R531	Q427-S430 PolarHBondContact N-OG 2.78Å; Q427-S430 VanDerWaalsContact N-OG 3.13Å; Q427-S430 WeakPolarHBondContact O-CA 3.47Å; Q427-S430 WeakPolarHBondContact O-CB 3.45Å; Q427-S430 PolarHBondContact O-N 3.13Å; Q427-S430 PolarHBondContact O-OG 2.8Å; D428-S430 PolarHBondContact O-N 3.36Å; S430-W433 WeakPolarHBondContact O-CB 3.45Å; S430-W433 PolarHBondContact O-N 3.18Å; S430-W434 PolarHBondContact O-N 2.91Å; S430-T529 PolarHBondContact OG-O 2.76Å; S430-P530 WeakPolarHBondContact CA-O 3.4Å; S430-P530 PolarHBondContact OG-O 2.74Å; S430-R531 PolarHBondContact OG-N 3.11Å
431	M	90.3	Very high	91.1	Very high	15 Å²	15	38.6 Å²	38.6	7%	0.074	21%	0.206	C	C	.	.	H	α-helix	trans	-68.2	-39.5	178.5	-63.1	-57.8	-167.2	0	0	111.1	E403 F404 D428 S429 W434 S435 F447 I532	E403-M431 HydrophobicContact CG-CE 4.44Å; E403-M431 HydrophobicContact CG-CG 4.49Å; E403-M431 WeakPolarHBondContact OE2-CG 3.42Å; F404-M431 HydrophobicContact CD2-CE 3.97Å; D428-M431 PolarHBondContact O-N 3.41Å; S429-M431 VanDerWaalsContact C-N 3.34Å; S429-M431 PolarHBondContact O-N 3.39Å; M431-W434 PolarHBondContact O-N 3.3Å; M431-W434 HydrophobicContact SD-CE3 3.99Å; M431-W434 HydrophobicContact SD-CZ3 4.44Å; M431-S435 PolarHBondContact O-N 3.28Å; M431-F447 HydrophobicContact CE-CE1 3.97Å; M431-F447 HydrophobicContact CE-CZ 3.81Å; M431-F447 HydrophobicContact SD-CE1 4.34Å; M431-I532 HydrophobicContact CE-CD1 3.81Å; M431-I532 HydrophobicContact SD-CD1 3.83Å
432	K	90.3	Very high	91.4	Very high	159 Å²	159	43.8 Å²	43.8	69%	0.691	23%	0.23	S	C	*	.	H	α-helix	trans	-60.4	-46.2	171.3	-174.9	177.4	-179	178.3	0	111.4	S429 W434 S435 T436	S429-K432 PolarHBondContact O-N 2.97Å; K432-W434 VanDerWaalsContact C-N 3.34Å; K432-W434 PolarHBondContact O-N 3.48Å; K432-S435 PolarHBondContact O-N 3.12Å; K432-S435 PolarHBondContact O-OG 2.89Å; K432-T436 PolarHBondContact O-N 3.46Å
433	W	91.8	Very high	91.7	Very high	40 Å²	40	45.4 Å²	45.4	15%	0.152	24%	0.238	C	C	.	.	H	α-helix	trans	-58.1	-45.9	174.8	167.3	85.2	0	0	0	111.8	S429 S430 S435 T436 Y437 F440 Y510 R531 I532	S429-W433 PolarHBondContact O-N 3.13Å; S429-W433 VanDerWaalsContact O-N 3.1Å; S430-W433 WeakPolarHBondContact O-CB 3.45Å; S430-W433 PolarHBondContact O-N 3.18Å; W433-S435 VanDerWaalsContact C-N 3.32Å; W433-S435 PolarHBondContact O-N 2.87Å; W433-T436 PolarHBondContact O-N 2.79Å; W433-T436 VanDerWaalsContact O-N 3.13Å; W433-T436 PolarHBondContact O-OG1 3.45Å; W433-T436 VanDerWaalsContact O-OG1 3.05Å; W433-Y437 AromaticContact CE2-CD2 3.91Å; W433-Y437 HydrophobicContact CH2-CG 4.46Å; W433-Y437 HydrophobicContact CZ2-CD1 4.43Å; W433-Y437 AromaticContact CZ2-CD2 3.73Å; W433-Y437 HydrophobicContact CZ2-CD2 3.73Å; W433-Y437 HydrophobicContact CZ2-CE2 4.04Å; W433-Y437 AromaticContact CZ2-CG 3.93Å; W433-Y437 HydrophobicContact CZ2-CG 3.93Å; W433-Y437 AromaticContact NE1-CD2 3.83Å; W433-Y437 PolarHBondContact O-N 3.25Å; W433-Y437 VanDerWaalsContact O-N 3.1Å; W433-F440 HydrophobicContact CH2-CD2 4.26Å; W433-F440 HydrophobicContact CH2-CE2 4.41Å; W433-Y510 HydrophobicContact CH2-CD1 4.35Å; W433-Y510 HydrophobicContact CH2-CG 4.38Å; W433-Y510 HydrophobicContact CZ2-CD1 4.34Å; W433-R531 HydrophobicContact CD2-CB 4.19Å; W433-R531 HydrophobicContact CD2-CG 3.84Å; W433-R531 HydrophobicContact CE3-CB 4.05Å; W433-R531 HydrophobicContact CE3-CG 4.22Å; W433-R531 HydrophobicContact CG-CG 4.12Å; W433-R531 HydrophobicContact CH2-CB 4.47Å; W433-R531 HydrophobicContact CZ2-CG 4.42Å; W433-R531 HydrophobicContact CZ3-CB 4.21Å; W433-I532 HydrophobicContact CE3-CG2 4.05Å; W433-I532 HydrophobicContact CZ3-CG2 3.81Å; W433-I532 VanDerWaalsContact CZ3-O 3.29Å; W433-I532 WeakPolarHBondContact CZ3-O 3.41Å
434	W	92.9	Very high	91.9	Very high	0 Å²	0	47 Å²	47	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-61.4	-42.7	-178.8	-170	6.4	0	0	0	111.6	S430 M431 K432 T436 Y437 F440 Q443 H444 F447 Y453 V457 I532 V534	S430-W434 PolarHBondContact O-N 2.91Å; M431-W434 PolarHBondContact O-N 3.3Å; M431-W434 HydrophobicContact SD-CE3 3.99Å; M431-W434 HydrophobicContact SD-CZ3 4.44Å; K432-W434 VanDerWaalsContact C-N 3.34Å; K432-W434 PolarHBondContact O-N 3.48Å; W434-T436 PolarHBondContact O-N 3.22Å; W434-Y437 PolarHBondContact O-N 2.87Å; W434-F440 VanDerWaalsContact NE1-CB 3.35Å; W434-F440 PolarHBondContact NE1-O 3.38Å; W434-F440 VanDerWaalsContact NE1-O 3.1Å; W434-Q443 HydrophobicContact CZ2-CB 3.95Å; W434-H444 HydrophobicContact CD2-CB 4.08Å; W434-H444 AromaticContact CD2-CD2 3.99Å; W434-H444 HydrophobicContact CG-CB 4.07Å; W434-F447 HydrophobicContact CH2-CB 3.66Å; W434-F447 AromaticContact CH2-CD2 3.53Å; W434-F447 HydrophobicContact CH2-CD2 3.53Å; W434-F447 HydrophobicContact CH2-CE2 4.32Å; W434-F447 AromaticContact CH2-CG 3.66Å; W434-F447 HydrophobicContact CH2-CG 3.66Å; W434-F447 HydrophobicContact CZ2-CB 4.35Å; W434-F447 HydrophobicContact CZ3-CB 3.94Å; W434-F447 AromaticContact CZ3-CD1 3.98Å; W434-F447 HydrophobicContact CZ3-CD1 3.98Å; W434-F447 AromaticContact CZ3-CD2 3.51Å; W434-F447 HydrophobicContact CZ3-CD2 3.51Å; W434-F447 HydrophobicContact CZ3-CE1 4.36Å; W434-F447 AromaticContact CZ3-CE2 3.94Å; W434-F447 HydrophobicContact CZ3-CE2 3.94Å; W434-F447 AromaticContact CZ3-CG 3.53Å; W434-F447 HydrophobicContact CZ3-CG 3.53Å; W434-F447 HydrophobicContact CZ3-CZ 4.35Å; W434-Y453 HydrophobicContact CH2-CE1 4.34Å; W434-Y453 HydrophobicContact CZ2-CE1 4.48Å; W434-V457 HydrophobicContact CH2-CG1 4.14Å; W434-V457 HydrophobicContact CH2-CG2 4.07Å; W434-V457 HydrophobicContact CZ3-CG1 4.29Å; W434-I532 HydrophobicContact CB-CG2 3.68Å; W434-I532 HydrophobicContact CD2-CG2 3.66Å; W434-I532 HydrophobicContact CE3-CD1 3.75Å; W434-I532 HydrophobicContact CE3-CG1 4.39Å; W434-I532 HydrophobicContact CE3-CG2 3.56Å; W434-I532 HydrophobicContact CG-CG2 3.75Å; W434-I532 HydrophobicContact CZ3-CD1 3.61Å; W434-I532 HydrophobicContact CZ3-CG1 4.4Å; W434-I532 HydrophobicContact CZ3-CG2 4.33Å; W434-V534 HydrophobicContact CD2-CG2 4.41Å; W434-V534 HydrophobicContact CZ2-CG1 4.23Å; W434-V534 HydrophobicContact CZ2-CG2 3.81Å
435	S	92	Very high	92.1	Very high	47 Å²	47	52.3 Å²	52.3	33%	0.329	27%	0.268	S	S	.	.	H	α-helix	trans	-60.6	-26.4	178.3	76.9	0	0	0	0	113.9	M431 K432 W433	M431-S435 PolarHBondContact O-N 3.28Å; K432-S435 PolarHBondContact O-N 3.12Å; K432-S435 PolarHBondContact O-OG 2.89Å; W433-S435 VanDerWaalsContact C-N 3.32Å; W433-S435 PolarHBondContact O-N 2.87Å
436	T	90.9	Very high	92.2	Very high	97 Å²	97	56.8 Å²	56.8	60%	0.595	29%	0.285	S	S	*	.	H	α-helix	trans	-99.6	-11.2	-178.3	62.9	0	0	0	0	113.6	K432 W433 W434 S438	K432-T436 PolarHBondContact O-N 3.46Å; W433-T436 PolarHBondContact O-N 2.79Å; W433-T436 VanDerWaalsContact O-N 3.13Å; W433-T436 PolarHBondContact O-OG1 3.45Å; W433-T436 VanDerWaalsContact O-OG1 3.05Å; W434-T436 PolarHBondContact O-N 3.22Å; T436-S438 PolarHBondContact O-N 3.48Å
437	Y	88.8	Confident	92.1	Very high	50 Å²	50	57 Å²	57	20%	0.196	29%	0.286	C	S	.	.			trans	-80.7	103.4	-179.1	-158.9	-99.2	0	0	0	110.9	W433 W434 Q439 F440 Q441 Y510 D626	W433-Y437 AromaticContact CE2-CD2 3.91Å; W433-Y437 HydrophobicContact CH2-CG 4.46Å; W433-Y437 HydrophobicContact CZ2-CD1 4.43Å; W433-Y437 AromaticContact CZ2-CD2 3.73Å; W433-Y437 HydrophobicContact CZ2-CD2 3.73Å; W433-Y437 HydrophobicContact CZ2-CE2 4.04Å; W433-Y437 AromaticContact CZ2-CG 3.93Å; W433-Y437 HydrophobicContact CZ2-CG 3.93Å; W433-Y437 AromaticContact NE1-CD2 3.83Å; W433-Y437 PolarHBondContact O-N 3.25Å; W433-Y437 VanDerWaalsContact O-N 3.1Å; W434-Y437 PolarHBondContact O-N 2.87Å; Y437-Q439 VanDerWaalsContact C-N 3.25Å; Y437-Q439 HydrophobicContact CD1-CB 3.9Å; Y437-Q439 HydrophobicContact CE1-CB 3.74Å; Y437-Q439 PolarHBondContact O-N 3.06Å; Y437-Q439 VanDerWaalsContact O-N 3.1Å; Y437-F440 HydrophobicContact CD1-CB 4.42Å; Y437-F440 AromaticContact CD1-CD2 3.4Å; Y437-F440 HydrophobicContact CD1-CD2 3.4Å; Y437-F440 AromaticContact CD1-CE2 3.8Å; Y437-F440 HydrophobicContact CD1-CE2 3.8Å; Y437-F440 HydrophobicContact CD1-CG 4.02Å; Y437-F440 AromaticContact CE1-CD2 3.81Å; Y437-F440 HydrophobicContact CE1-CD2 3.81Å; Y437-F440 AromaticContact CE1-CE2 3.69Å; Y437-F440 HydrophobicContact CE1-CE2 3.69Å; Y437-F440 HydrophobicContact CE1-CZ 4.34Å; Y437-F440 HydrophobicContact CG-CD2 4.34Å; Y437-F440 PolarHBondContact O-N 3.42Å; Y437-Q441 WeakPolarHBondContact O-CG 3.49Å; Y437-Q441 PolarHBondContact O-N 2.9Å; Y437-Y510 HydrophobicContact CE1-CE1 4.3Å; Y437-Y510 WeakPolarHBondContact OH-CE1 3.45Å; Y437-D626 PolarHBondContact OH-OD1 3.42Å
438	S	88	Confident	92	Very high	98 Å²	98	59.5 Å²	59.5	69%	0.685	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-50.4	-40	-170.6	55.9	0	0	0	0	114.4	T436 F440	T436-S438 PolarHBondContact O-N 3.48Å; S438-F440 VanDerWaalsContact C-N 3.27Å; S438-F440 PolarHBondContact O-N 3.36Å
439	Q	83.8	Confident	92.1	Very high	47 Å²	47	62.6 Å²	62.6	22%	0.22	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-64.8	-27.8	-179.2	-174	-179.5	-25.6	0	0	113.6	Y437 N675	Y437-Q439 VanDerWaalsContact C-N 3.25Å; Y437-Q439 HydrophobicContact CD1-CB 3.9Å; Y437-Q439 HydrophobicContact CE1-CB 3.74Å; Y437-Q439 PolarHBondContact O-N 3.06Å; Y437-Q439 VanDerWaalsContact O-N 3.1Å; Q439-N675 PolarHBondContact NE2-O 2.76Å
440	F	89.8	Confident	92.1	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-114.1	14.8	-174	-56.5	-40	0	0	0	114	W433 W434 Y437 S438 E442 Q443 H444 Y510 V534 H677	W433-F440 HydrophobicContact CH2-CD2 4.26Å; W433-F440 HydrophobicContact CH2-CE2 4.41Å; W434-F440 VanDerWaalsContact NE1-CB 3.35Å; W434-F440 PolarHBondContact NE1-O 3.38Å; W434-F440 VanDerWaalsContact NE1-O 3.1Å; Y437-F440 HydrophobicContact CD1-CB 4.42Å; Y437-F440 AromaticContact CD1-CD2 3.4Å; Y437-F440 HydrophobicContact CD1-CD2 3.4Å; Y437-F440 AromaticContact CD1-CE2 3.8Å; Y437-F440 HydrophobicContact CD1-CE2 3.8Å; Y437-F440 HydrophobicContact CD1-CG 4.02Å; Y437-F440 AromaticContact CE1-CD2 3.81Å; Y437-F440 HydrophobicContact CE1-CD2 3.81Å; Y437-F440 AromaticContact CE1-CE2 3.69Å; Y437-F440 HydrophobicContact CE1-CE2 3.69Å; Y437-F440 HydrophobicContact CE1-CZ 4.34Å; Y437-F440 HydrophobicContact CG-CD2 4.34Å; Y437-F440 PolarHBondContact O-N 3.42Å; S438-F440 VanDerWaalsContact C-N 3.27Å; S438-F440 PolarHBondContact O-N 3.36Å; F440-E442 PolarHBondContact O-N 3.36Å; F440-Q443 VanDerWaalsContact CA-OE1 3.31Å; F440-Q443 PolarHBondContact O-N 3.19Å; F440-H444 PolarHBondContact O-N 2.98Å; F440-Y510 HydrophobicContact CE2-CD1 4.3Å; F440-Y510 AromaticContact CE2-CD2 3.86Å; F440-Y510 HydrophobicContact CE2-CD2 3.86Å; F440-Y510 HydrophobicContact CE2-CE1 4.07Å; F440-Y510 AromaticContact CE2-CE2 3.69Å; F440-Y510 HydrophobicContact CE2-CE2 3.69Å; F440-Y510 HydrophobicContact CE2-CG 4.2Å; F440-Y510 AromaticContact CE2-CZ 3.77Å; F440-Y510 HydrophobicContact CZ-CD2 4.02Å; F440-Y510 HydrophobicContact CZ-CE1 4.36Å; F440-Y510 AromaticContact CZ-CE2 3.44Å; F440-Y510 HydrophobicContact CZ-CE2 3.44Å; F440-Y510 VanDerWaalsContact CZ-CE2 3.44Å; F440-Y510 AromaticContact CZ-CZ 3.62Å; F440-V534 HydrophobicContact CB-CG2 4.08Å; F440-V534 HydrophobicContact CD1-CB 4.27Å; F440-V534 HydrophobicContact CD1-CG1 4.16Å; F440-V534 HydrophobicContact CD1-CG2 4.37Å; F440-V534 HydrophobicContact CD2-CB 4.28Å; F440-V534 HydrophobicContact CD2-CG2 3.7Å; F440-V534 HydrophobicContact CE1-CB 4.48Å; F440-V534 HydrophobicContact CE2-CB 4.46Å; F440-V534 HydrophobicContact CE2-CG2 4.22Å; F440-V534 HydrophobicContact CG-CB 4.2Å; F440-V534 HydrophobicContact CG-CG1 4.32Å; F440-V534 HydrophobicContact CG-CG2 3.8Å; F440-H677 AromaticContact CD1-CE1 3.98Å; F440-H677 AromaticContact CE1-CE1 3.29Å; F440-H677 WeakPolarHBondContact CE1-CE1 3.26Å; F440-H677 AromaticContact CE1-ND1 3.43Å; F440-H677 WeakPolarHBondContact CE1-ND1 3.36Å
441	Q	91.3	Very high	92.2	Very high	79 Å²	79	67.1 Å²	67.1	37%	0.369	33%	0.333	S	S	.	.	H	α-helix	trans	-63.1	-38.6	-177.3	-75.5	-178.3	-10.7	0	0	113	Y437 H444 K445	Y437-Q441 WeakPolarHBondContact O-CG 3.49Å; Y437-Q441 PolarHBondContact O-N 2.9Å; Q441-H444 PolarHBondContact O-N 2.97Å; Q441-K445 WeakPolarHBondContact O-CG 3.41Å; Q441-K445 PolarHBondContact O-N 3.24Å
442	E	91.6	Very high	92.3	Very high	118 Å²	118	72 Å²	72	55%	0.551	36%	0.355	S	S	*	.	H	α-helix	trans	-68.3	-40.6	178.3	-66.4	-52.3	129.9	0	0	111.5	F440 H444 K445 R446	F440-E442 PolarHBondContact O-N 3.36Å; E442-H444 VanDerWaalsContact C-N 3.32Å; E442-H444 PolarHBondContact O-N 3Å; E442-K445 PolarHBondContact O-N 3.13Å; E442-K445 IonicContact OE1-NZ 3.57Å; E442-K445 PolarHBondContact OE1-NZ 3.35Å; E442-K445 IonicContact OE2-NZ 3.67Å; E442-R446 WeakPolarHBondContact O-CB 3.35Å; E442-R446 PolarHBondContact O-N 2.9Å
443	Q	94.2	Very high	92.5	Very high	35 Å²	35	64.4 Å²	64.4	16%	0.164	32%	0.322	C	S	.	.	H	α-helix	trans	-63.9	-38.7	173.7	-68.8	84.8	-8.5	0	0	111.5	W434 F440 R446 F447 Y453 V534	W434-Q443 HydrophobicContact CZ2-CB 3.95Å; F440-Q443 VanDerWaalsContact CA-OE1 3.31Å; F440-Q443 PolarHBondContact O-N 3.19Å; Q443-R446 PolarHBondContact O-N 3.38Å; Q443-F447 WeakPolarHBondContact O-CB 2.99Å; Q443-F447 PolarHBondContact O-N 2.72Å; Q443-Y453 HydrophobicContact CB-CE1 4.35Å; Q443-Y453 WeakPolarHBondContact CB-OH 3.27Å; Q443-Y453 WeakPolarHBondContact CG-OH 3.2Å; Q443-Y453 WeakPolarHBondContact O-CE1 3.25Å; Q443-V534 HydrophobicContact CB-CG1 3.81Å; Q443-V534 HydrophobicContact CG-CG1 3.77Å
444	H	94.9	Very high	92.7	Very high	33 Å²	33	64.6 Å²	64.6	15%	0.153	32%	0.323	C	S	.	.	H	α-helix	trans	-63.2	-46	173.4	176.2	-101.5	0	0	0	111.4	W434 F440 Q441 E442 R446 F447 Q448	W434-H444 HydrophobicContact CD2-CB 4.08Å; W434-H444 AromaticContact CD2-CD2 3.99Å; W434-H444 HydrophobicContact CG-CB 4.07Å; F440-H444 PolarHBondContact O-N 2.98Å; Q441-H444 PolarHBondContact O-N 2.97Å; E442-H444 VanDerWaalsContact C-N 3.32Å; E442-H444 PolarHBondContact O-N 3Å; H444-R446 VanDerWaalsContact C-N 3.34Å; H444-R446 PolarHBondContact O-N 3.18Å; H444-F447 WeakPolarHBondContact O-CB 3.5Å; H444-F447 PolarHBondContact O-N 3Å; H444-Q448 PolarHBondContact NE2-NE2 3.25Å; H444-Q448 WeakPolarHBondContact O-CG 3.34Å; H444-Q448 PolarHBondContact O-N 3.19Å
445	K	95.2	Very high	92.8	Very high	112 Å²	112	64.8 Å²	64.8	49%	0.487	32%	0.324	S	S	.	.	H	α-helix	trans	-59.5	-44.1	175.6	-70.7	170.6	-171.4	168.6	0	111.7	Q441 E442 Q448	Q441-K445 WeakPolarHBondContact O-CG 3.41Å; Q441-K445 PolarHBondContact O-N 3.24Å; E442-K445 PolarHBondContact O-N 3.13Å; E442-K445 IonicContact OE1-NZ 3.57Å; E442-K445 PolarHBondContact OE1-NZ 3.35Å; E442-K445 IonicContact OE2-NZ 3.67Å; K445-Q448 PolarHBondContact O-N 3.13Å
446	R	95.5	Very high	92.8	Very high	95 Å²	95	65 Å²	65	36%	0.358	32%	0.318	S	S	.	.	H	α-helix	trans	-61.8	-43.1	175.4	-178	-179.8	176.7	-163.8	-1.2	111.4	E442 Q443 H444 Q448 T449 D450 Y453 D537	E442-R446 WeakPolarHBondContact O-CB 3.35Å; E442-R446 PolarHBondContact O-N 2.9Å; Q443-R446 PolarHBondContact O-N 3.38Å; H444-R446 VanDerWaalsContact C-N 3.34Å; H444-R446 PolarHBondContact O-N 3.18Å; R446-Q448 PolarHBondContact O-N 2.86Å; R446-T449 PolarHBondContact O-N 3.34Å; R446-T449 PolarHBondContact O-OG1 2.97Å; R446-D450 HydrophobicContact CG-CB 3.75Å; R446-D450 IonicContact CZ-OD2 2.9Å; R446-D450 IonicContact NE-OD2 2.71Å; R446-D450 PolarHBondContact NE-OD2 2.85Å; R446-D450 IonicContact NH2-OD2 3.28Å; R446-D450 PolarHBondContact NH2-OD2 2.92Å; R446-D450 WeakPolarHBondContact O-CB 3.14Å; R446-D450 PolarHBondContact O-N 3.42Å; R446-Y453 HydrophobicContact CB-CD1 4.24Å; R446-Y453 HydrophobicContact CB-CE1 4.47Å; R446-Y453 HydrophobicContact CG-CD1 3.83Å; R446-Y453 HydrophobicContact CG-CE1 4.44Å; R446-Y453 HydrophobicContact CG-CG 3.99Å; R446-Y453 VanDerWaalsContact CZ-CD2 3.45Å; R446-D537 IonicContact NH1-OD1 2.77Å; R446-D537 PolarHBondContact NH1-OD1 3.49Å
447	F	95.4	Very high	92.9	Very high	7 Å²	7	60.3 Å²	60.3	3%	0.031	29%	0.289	C	S	.	.	H	α-helix	trans	-54.9	-39.5	175.8	-178.6	-89.2	0	0	0	111.8	L407 M431 W434 Q443 H444 T449 Y453 R454 V457	L407-F447 HydrophobicContact CD1-CZ 4.5Å; L407-F447 HydrophobicContact CD2-CE2 3.9Å; L407-F447 HydrophobicContact CD2-CZ 3.7Å; M431-F447 HydrophobicContact CE-CE1 3.97Å; M431-F447 HydrophobicContact CE-CZ 3.81Å; M431-F447 HydrophobicContact SD-CE1 4.34Å; W434-F447 HydrophobicContact CH2-CB 3.66Å; W434-F447 AromaticContact CH2-CD2 3.53Å; W434-F447 HydrophobicContact CH2-CD2 3.53Å; W434-F447 HydrophobicContact CH2-CE2 4.32Å; W434-F447 AromaticContact CH2-CG 3.66Å; W434-F447 HydrophobicContact CH2-CG 3.66Å; W434-F447 HydrophobicContact CZ2-CB 4.35Å; W434-F447 HydrophobicContact CZ3-CB 3.94Å; W434-F447 AromaticContact CZ3-CD1 3.98Å; W434-F447 HydrophobicContact CZ3-CD1 3.98Å; W434-F447 AromaticContact CZ3-CD2 3.51Å; W434-F447 HydrophobicContact CZ3-CD2 3.51Å; W434-F447 HydrophobicContact CZ3-CE1 4.36Å; W434-F447 AromaticContact CZ3-CE2 3.94Å; W434-F447 HydrophobicContact CZ3-CE2 3.94Å; W434-F447 AromaticContact CZ3-CG 3.53Å; W434-F447 HydrophobicContact CZ3-CG 3.53Å; W434-F447 HydrophobicContact CZ3-CZ 4.35Å; Q443-F447 WeakPolarHBondContact O-CB 2.99Å; Q443-F447 PolarHBondContact O-N 2.72Å; H444-F447 WeakPolarHBondContact O-CB 3.5Å; H444-F447 PolarHBondContact O-N 3Å; F447-T449 PolarHBondContact O-N 2.81Å; F447-Y453 HydrophobicContact CB-CD1 4.12Å; F447-Y453 HydrophobicContact CB-CE1 4.09Å; F447-R454 HydrophobicContact CD1-CG 4.17Å; F447-R454 HydrophobicContact CD2-CB 4.03Å; F447-R454 HydrophobicContact CD2-CG 3.63Å; F447-R454 HydrophobicContact CE1-CG 4.24Å; F447-R454 HydrophobicContact CE2-CB 3.81Å; F447-R454 HydrophobicContact CE2-CG 3.71Å; F447-R454 HydrophobicContact CG-CG 3.87Å; F447-R454 HydrophobicContact CZ-CB 4.33Å; F447-R454 HydrophobicContact CZ-CG 4.01Å; F447-R454 WeakPolarHBondContact O-CD 3.34Å; F447-R454 WeakPolarHBondContact O-CG 3.39Å; F447-R454 PolarHBondContact O-NH1 3.43Å; F447-V457 HydrophobicContact CD2-CB 4.21Å; F447-V457 HydrophobicContact CD2-CG1 4.37Å; F447-V457 HydrophobicContact CD2-CG2 4.14Å; F447-V457 HydrophobicContact CE2-CB 4.12Å; F447-V457 HydrophobicContact CE2-CG1 4.12Å
448	Q	93.5	Very high	93.1	Very high	100 Å²	100	58 Å²	58	47%	0.467	28%	0.28	S	S	.	.	H	α-helix	trans	-64.4	-25	178.3	-59.2	-56.3	-39.6	0	0	113.9	H444 K445 R446	H444-Q448 PolarHBondContact NE2-NE2 3.25Å; H444-Q448 WeakPolarHBondContact O-CG 3.34Å; H444-Q448 PolarHBondContact O-N 3.19Å; K445-Q448 PolarHBondContact O-N 3.13Å; R446-Q448 PolarHBondContact O-N 2.86Å
449	T	95.2	Very high	93.2	Very high	118 Å²	118	56 Å²	56	72%	0.724	26%	0.258	S	S	*	.	H	α-helix	trans	-116.1	-37.9	-170.9	57	0	0	0	0	114.2	R446 F447 K451	R446-T449 PolarHBondContact O-N 3.34Å; R446-T449 PolarHBondContact O-OG1 2.97Å; F447-T449 PolarHBondContact O-N 2.81Å; T449-K451 PolarHBondContact O-N 3.15Å
450	D	96.3	Very high	93.4	Very high	46 Å²	46	53.8 Å²	53.8	25%	0.246	25%	0.247	C	C	.	.			trans	-90.9	103.5	-176.1	-179.2	-11.8	0	0	0	110.8	R446 E452 Y453 R454	R446-D450 HydrophobicContact CG-CB 3.75Å; R446-D450 IonicContact CZ-OD2 2.9Å; R446-D450 IonicContact NE-OD2 2.71Å; R446-D450 PolarHBondContact NE-OD2 2.85Å; R446-D450 IonicContact NH2-OD2 3.28Å; R446-D450 PolarHBondContact NH2-OD2 2.92Å; R446-D450 WeakPolarHBondContact O-CB 3.14Å; R446-D450 PolarHBondContact O-N 3.42Å; D450-E452 PolarHBondContact O-N 3.25Å; D450-E452 PolarHBondContact OD1-N 3.49Å; D450-E452 VanDerWaalsContact OD1-N 3.07Å; D450-Y453 PolarHBondContact O-N 2.92Å; D450-Y453 PolarHBondContact OD1-N 3.46Å; D450-Y453 WeakPolarHBondContact OD2-CB 3.28Å; D450-R454 WeakPolarHBondContact O-CG 3.27Å; D450-R454 PolarHBondContact O-N 3.4Å
451	K	94.5	Very high	93.5	Very high	113 Å²	113	53.8 Å²	53.8	49%	0.491	25%	0.247	S	C	.	.	H	α-helix	trans	-60.5	-40.9	-179.5	-176.3	176.1	-179.7	178.2	0	113	E410 T449 Y453 R454 C455	E410-K451 VanDerWaalsContact OE1-CE 3.31Å; E410-K451 WeakPolarHBondContact OE1-CE 3.44Å; T449-K451 PolarHBondContact O-N 3.15Å; K451-Y453 VanDerWaalsContact C-N 3.33Å; K451-R454 WeakPolarHBondContact O-CB 3.29Å; K451-R454 PolarHBondContact O-N 3.22Å; K451-C455 PolarHBondContact O-N 3.5Å; K451-C455 VanDerWaalsContact O-N 3.13Å
452	E	93.5	Very high	93.3	Very high	117 Å²	117	50 Å²	50	55%	0.547	23%	0.23	S	C	.	.	H	α-helix	trans	-69.9	-38.5	-178	-175	54.9	-152.1	0	0	110.4	D450 R454 C455 R456 R459	D450-E452 PolarHBondContact O-N 3.25Å; D450-E452 PolarHBondContact OD1-N 3.49Å; D450-E452 VanDerWaalsContact OD1-N 3.07Å; E452-R454 VanDerWaalsContact C-N 3.34Å; E452-R454 PolarHBondContact O-N 3.46Å; E452-C455 PolarHBondContact O-N 3.26Å; E452-R456 WeakPolarHBondContact O-CB 3.41Å; E452-R456 PolarHBondContact O-N 3.4Å; E452-R459 IonicContact OE1-NH1 3.63Å; E452-R459 PolarHBondContact OE1-NH1 3.08Å; E452-R459 VanDerWaalsContact OE1-NH1 3.13Å
453	Y	94.5	Very high	92.9	Very high	1 Å²	1	44.4 Å²	44.4	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-62.4	-40	173.1	-176.1	-105	0	0	0	112.5	W434 Q443 R446 F447 D450 K451 C455 R456 V457 P535	W434-Y453 HydrophobicContact CH2-CE1 4.34Å; W434-Y453 HydrophobicContact CZ2-CE1 4.48Å; Q443-Y453 HydrophobicContact CB-CE1 4.35Å; Q443-Y453 WeakPolarHBondContact CB-OH 3.27Å; Q443-Y453 WeakPolarHBondContact CG-OH 3.2Å; Q443-Y453 WeakPolarHBondContact O-CE1 3.25Å; R446-Y453 HydrophobicContact CB-CD1 4.24Å; R446-Y453 HydrophobicContact CB-CE1 4.47Å; R446-Y453 HydrophobicContact CG-CD1 3.83Å; R446-Y453 HydrophobicContact CG-CE1 4.44Å; R446-Y453 HydrophobicContact CG-CG 3.99Å; R446-Y453 VanDerWaalsContact CZ-CD2 3.45Å; F447-Y453 HydrophobicContact CB-CD1 4.12Å; F447-Y453 HydrophobicContact CB-CE1 4.09Å; D450-Y453 PolarHBondContact O-N 2.92Å; D450-Y453 PolarHBondContact OD1-N 3.46Å; D450-Y453 WeakPolarHBondContact OD2-CB 3.28Å; K451-Y453 VanDerWaalsContact C-N 3.33Å; Y453-C455 VanDerWaalsContact C-N 3.31Å; Y453-C455 PolarHBondContact O-N 3.11Å; Y453-R456 WeakPolarHBondContact O-CB 3.49Å; Y453-R456 PolarHBondContact O-N 3.28Å; Y453-V457 HydrophobicContact CD1-CG2 4.24Å; Y453-V457 HydrophobicContact CE1-CG2 3.77Å; Y453-V457 HydrophobicContact CE2-CG2 4.28Å; Y453-V457 VanDerWaalsContact O-CG2 3.3Å; Y453-V457 WeakPolarHBondContact O-CG2 3.3Å; Y453-V457 PolarHBondContact O-N 3.08Å; Y453-P535 HydrophobicContact CE2-CG 4.26Å
454	R	94.8	Very high	92.2	Very high	43 Å²	43	46 Å²	46	16%	0.162	21%	0.21	C	C	.	.	H	α-helix	trans	-56.6	-46	172.7	-69.1	-160.5	-68.1	-80.1	3.6	112.1	L407 E410 F447 D450 K451 E452 V457 A458	L407-R454 HydrophobicContact CD1-CB 3.75Å; E410-R454 IonicContact OE1-NH2 3.65Å; E410-R454 PolarHBondContact OE1-NH2 2.81Å; E410-R454 VanDerWaalsContact OE1-NH2 3.16Å; F447-R454 HydrophobicContact CD1-CG 4.17Å; F447-R454 HydrophobicContact CD2-CB 4.03Å; F447-R454 HydrophobicContact CD2-CG 3.63Å; F447-R454 HydrophobicContact CE1-CG 4.24Å; F447-R454 HydrophobicContact CE2-CB 3.81Å; F447-R454 HydrophobicContact CE2-CG 3.71Å; F447-R454 HydrophobicContact CG-CG 3.87Å; F447-R454 HydrophobicContact CZ-CB 4.33Å; F447-R454 HydrophobicContact CZ-CG 4.01Å; F447-R454 WeakPolarHBondContact O-CD 3.34Å; F447-R454 WeakPolarHBondContact O-CG 3.39Å; F447-R454 PolarHBondContact O-NH1 3.43Å; D450-R454 WeakPolarHBondContact O-CG 3.27Å; D450-R454 PolarHBondContact O-N 3.4Å; K451-R454 WeakPolarHBondContact O-CB 3.29Å; K451-R454 PolarHBondContact O-N 3.22Å; E452-R454 VanDerWaalsContact C-N 3.34Å; E452-R454 PolarHBondContact O-N 3.46Å; R454-V457 PolarHBondContact O-N 3.36Å; R454-A458 PolarHBondContact O-N 3.48Å
455	C	94.6	Very high	91.1	Very high	5 Å²	5	44.6 Å²	44.6	3%	0.034	20%	0.204	C	C	.	.	H	α-helix	trans	-71.5	-32	-179.6	-64.9	0	0	0	0	113.3	C411 K451 E452 Y453 A458 R459	C411-C455 WeakPolarHBondContact CA-SG 3.35Å; C411-C455 HydrophobicContact CB-CB 3.74Å; C411-C455 WeakPolarHBondContact CB-SG 3.46Å; C411-C455 WeakPolarHBondContact SG-CA 3.37Å; C411-C455 WeakPolarHBondContact SG-CB 3.21Å; C411-C455 CovalentContact SG-SG 2.05Å; C411-C455 PolarHBondContact SG-SG 3.01Å; K451-C455 PolarHBondContact O-N 3.5Å; K451-C455 VanDerWaalsContact O-N 3.13Å; E452-C455 PolarHBondContact O-N 3.26Å; Y453-C455 VanDerWaalsContact C-N 3.31Å; Y453-C455 PolarHBondContact O-N 3.11Å; C455-A458 PolarHBondContact O-N 3.41Å; C455-R459 WeakPolarHBondContact O-CB 2.97Å; C455-R459 VanDerWaalsContact O-CG 3.3Å; C455-R459 WeakPolarHBondContact O-CG 3.3Å; C455-R459 PolarHBondContact O-N 3.42Å
456	R	92	Very high	89.9	Confident	50 Å²	50	45.8 Å²	45.8	19%	0.189	22%	0.215	C	C	.	.	H	α-helix	trans	-60.2	-44.2	169	-174.4	-175.8	-179	-145.6	-2.6	111.5	E452 Y453 Y460 N486 E489 P535 P536 D537	E452-R456 WeakPolarHBondContact O-CB 3.41Å; E452-R456 PolarHBondContact O-N 3.4Å; Y453-R456 WeakPolarHBondContact O-CB 3.49Å; Y453-R456 PolarHBondContact O-N 3.28Å; R456-Y460 WeakPolarHBondContact O-CB 3.36Å; R456-Y460 PolarHBondContact O-N 3.08Å; R456-Y460 VanDerWaalsContact O-N 3.13Å; R456-N486 WeakPolarHBondContact CG-ND2 3.39Å; R456-N486 PolarHBondContact O-ND2 3.11Å; R456-E489 IonicContact CZ-OE1 3.36Å; R456-E489 IonicContact NE-OE1 3.25Å; R456-E489 PolarHBondContact NE-OE1 2.8Å; R456-E489 IonicContact NE-OE2 3.05Å; R456-E489 IonicContact NH2-OE1 2.7Å; R456-E489 PolarHBondContact NH2-OE1 3.46Å; R456-P535 HydrophobicContact CG-CG 4.48Å; R456-P536 PolarHBondContact NH1-O 3.09Å; R456-P536 PolarHBondContact NH2-O 2.79Å; R456-D537 IonicContact NH1-OD1 3.69Å; R456-D537 PolarHBondContact NH1-OD1 2.93Å
457	V	93	Very high	88.7	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-64.7	-42.2	175.4	173.6	0	0	0	0	110.9	W434 F447 Y453 R454 Y460 H461 I532 P535	W434-V457 HydrophobicContact CH2-CG1 4.14Å; W434-V457 HydrophobicContact CH2-CG2 4.07Å; W434-V457 HydrophobicContact CZ3-CG1 4.29Å; F447-V457 HydrophobicContact CD2-CB 4.21Å; F447-V457 HydrophobicContact CD2-CG1 4.37Å; F447-V457 HydrophobicContact CD2-CG2 4.14Å; F447-V457 HydrophobicContact CE2-CB 4.12Å; F447-V457 HydrophobicContact CE2-CG1 4.12Å; Y453-V457 HydrophobicContact CD1-CG2 4.24Å; Y453-V457 HydrophobicContact CE1-CG2 3.77Å; Y453-V457 HydrophobicContact CE2-CG2 4.28Å; Y453-V457 VanDerWaalsContact O-CG2 3.3Å; Y453-V457 WeakPolarHBondContact O-CG2 3.3Å; Y453-V457 PolarHBondContact O-N 3.08Å; R454-V457 PolarHBondContact O-N 3.36Å; V457-Y460 WeakPolarHBondContact O-CB 3.45Å; V457-Y460 PolarHBondContact O-N 3.07Å; V457-H461 PolarHBondContact O-ND1 2.84Å; V457-I532 HydrophobicContact CG1-CD1 3.87Å; V457-I532 HydrophobicContact CG1-CG1 4.17Å; V457-P535 HydrophobicContact CG2-CG 3.87Å
458	A	93.5	Very high	87.7	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-59.6	-49.4	177.8	0	0	0	0	0	112.2	F404 L407 L408 R454 C455 Y460 H461	F404-A458 HydrophobicContact CZ-CB 4.49Å; L407-A458 HydrophobicContact CD2-CB 3.75Å; L407-A458 HydrophobicContact CG-CB 3.88Å; L408-A458 HydrophobicContact CD2-CB 4.08Å; R454-A458 PolarHBondContact O-N 3.48Å; C455-A458 PolarHBondContact O-N 3.41Å; A458-Y460 PolarHBondContact O-N 3.32Å; A458-H461 PolarHBondContact O-N 3.29Å; A458-H461 VanDerWaalsContact O-N 3.17Å
459	R	90.7	Very high	86.7	Confident	56 Å²	56	40.6 Å²	40.6	21%	0.211	20%	0.195	C	C	.	.	H	α-helix	trans	-62.7	-28.4	176.9	-72.6	172.4	-165.4	127.2	3.3	113.1	I413 E452 C455 H461 I462 M485 N486	I413-R459 HydrophobicContact CD1-CG 3.64Å; E452-R459 IonicContact OE1-NH1 3.63Å; E452-R459 PolarHBondContact OE1-NH1 3.08Å; E452-R459 VanDerWaalsContact OE1-NH1 3.13Å; C455-R459 WeakPolarHBondContact O-CB 2.97Å; C455-R459 VanDerWaalsContact O-CG 3.3Å; C455-R459 WeakPolarHBondContact O-CG 3.3Å; C455-R459 PolarHBondContact O-N 3.42Å; R459-H461 PolarHBondContact O-N 2.76Å; R459-I462 PolarHBondContact O-N 3.41Å; R459-M485 HydrophobicContact CB-CB 3.92Å; R459-M485 HydrophobicContact CG-CB 4.13Å; R459-M485 PolarHBondContact O-N 3.31Å; R459-N486 WeakPolarHBondContact CB-OD1 3.45Å; R459-N486 WeakPolarHBondContact CD-OD1 3.41Å
460	Y	88.6	Confident	85.4	Confident	1 Å²	1	37.8 Å²	37.8	0%	0.004	18%	0.175	C	C	.	.	H	α-helix	trans	-65.8	-18.7	177.7	-160.6	-99.8	0	0	0	113.4	R456 V457 A458 T484 L491 Y492 N533 P535	R456-Y460 WeakPolarHBondContact O-CB 3.36Å; R456-Y460 PolarHBondContact O-N 3.08Å; R456-Y460 VanDerWaalsContact O-N 3.13Å; V457-Y460 WeakPolarHBondContact O-CB 3.45Å; V457-Y460 PolarHBondContact O-N 3.07Å; A458-Y460 PolarHBondContact O-N 3.32Å; Y460-T484 HydrophobicContact CD2-CG2 3.62Å; Y460-T484 HydrophobicContact CE2-CG2 3.8Å; Y460-T484 HydrophobicContact CG-CG2 4.11Å; Y460-L491 HydrophobicContact CE1-CD1 4.18Å; Y460-L491 HydrophobicContact CE2-CD1 4.39Å; Y460-Y492 VanDerWaalsContact OH-CB 3.22Å; Y460-Y492 WeakPolarHBondContact OH-CB 3.38Å; Y460-Y492 PolarHBondContact OH-N 3.37Å; Y460-Y492 VanDerWaalsContact OH-N 3.1Å; Y460-N533 HydrophobicContact CD1-CB 3.76Å; Y460-N533 HydrophobicContact CE1-CB 3.89Å; Y460-P535 HydrophobicContact CD2-CB 3.94Å; Y460-P535 HydrophobicContact CE2-CB 4.28Å; Y460-P535 HydrophobicContact CG-CB 4.15Å
461	H	90.1	Very high	84.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-93.5	3.6	178.1	-69.9	79.1	0	0	0	114	F404 I423 V424 P426 V457 A458 R459 I532 N533	F404-H461 HydrophobicContact CE1-CB 4.14Å; F404-H461 HydrophobicContact CZ-CB 3.85Å; F404-H461 AromaticContact CZ-CG 3.62Å; F404-H461 AromaticContact CZ-ND1 3.56Å; I423-H461 WeakPolarHBondContact CA-O 3.49Å; V424-H461 PolarHBondContact N-O 3.01Å; V424-H461 WeakPolarHBondContact O-CB 3.3Å; V424-H461 PolarHBondContact O-CD2 3.22Å; P426-H461 VanDerWaalsContact CG-CD2 3.45Å; P426-H461 WeakPolarHBondContact CG-CD2 3.38Å; P426-H461 WeakPolarHBondContact CG-NE2 3.3Å; V457-H461 PolarHBondContact O-ND1 2.84Å; A458-H461 PolarHBondContact O-N 3.29Å; A458-H461 VanDerWaalsContact O-N 3.17Å; R459-H461 PolarHBondContact O-N 2.76Å; H461-I532 VanDerWaalsContact CE1-CG1 3.41Å; H461-I532 WeakPolarHBondContact CE1-CG1 3.45Å; H461-N533 PolarHBondContact CE1-N 3.25Å; H461-N533 PolarHBondContact CE1-O 3.28Å; H461-N533 VanDerWaalsContact CE1-O 3.26Å; H461-N533 PolarHBondContact NE2-N 3.48Å
462	I	88.8	Confident	82.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	122.8	-178.1	-52.2	174.2	0	0	0	108.6	L408 I413 M415 Y421 I423 R459 T484 M485	L408-I462 HydrophobicContact CD2-CD1 3.85Å; I413-I462 HydrophobicContact CB-CD1 4.45Å; I413-I462 HydrophobicContact CD1-CD1 4.47Å; I413-I462 HydrophobicContact CG1-CD1 4.22Å; I413-I462 HydrophobicContact CG2-CD1 3.57Å; M415-I462 HydrophobicContact CE-CD1 4.27Å; M415-I462 HydrophobicContact CE-CG2 4.05Å; Y421-I462 HydrophobicContact CD1-CG2 3.91Å; Y421-I462 HydrophobicContact CG-CG2 4.49Å; I423-I462 HydrophobicContact CG1-CG1 4.36Å; I423-I462 HydrophobicContact CG1-CG2 4.31Å; I423-I462 HydrophobicContact CG2-CG1 4.38Å; R459-I462 PolarHBondContact O-N 3.41Å; I462-T484 CarbonylContact O-C 3.5Å; I462-T484 VanDerWaalsContact O-CA 3.27Å; I462-T484 WeakPolarHBondContact O-CA 3.25Å; I462-M485 HydrophobicContact CB-CG 3.91Å; I462-M485 HydrophobicContact CB-SD 3.82Å; I462-M485 HydrophobicContact CD1-SD 3.8Å; I462-M485 HydrophobicContact CG1-SD 4.44Å; I462-M485 HydrophobicContact CG2-CG 3.79Å; I462-M485 HydrophobicContact CG2-SD 3.43Å; I462-M485 WeakPolarHBondContact CG2-SD 3.5Å; I462-M485 PolarHBondContact O-N 3.08Å; I462-M485 VanDerWaalsContact O-N 3.14Å
463	M	82.6	Confident	80.9	Confident	0 Å²	0	36 Å²	36	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	132.3	-177.2	-53	81	71.3	0	0	110.1	Y421 A422 V424 L469 H482 L491 F508	Y421-M463 WeakPolarHBondContact CA-O 3.05Å; A422-M463 HydrophobicContact CB-CE 3.87Å; A422-M463 PolarHBondContact N-O 3.33Å; A422-M463 PolarHBondContact O-N 2.97Å; V424-M463 HydrophobicContact CG2-CE 3.46Å; V424-M463 VanDerWaalsContact CG2-CE 3.46Å; V424-M463 HydrophobicContact CG2-SD 4.02Å; M463-L469 HydrophobicContact CE-CD1 3.49Å; M463-L469 VanDerWaalsContact CE-CD1 3.49Å; M463-H482 HydrophobicContact CB-CB 4.48Å; M463-L491 HydrophobicContact CG-CD2 3.78Å; M463-F508 HydrophobicContact CE-CE1 4.45Å; M463-F508 HydrophobicContact CE-CE2 4.03Å; M463-F508 HydrophobicContact CE-CZ 3.91Å; M463-F508 HydrophobicContact CG-CE2 4.31Å; M463-F508 HydrophobicContact CG-CZ 3.73Å; M463-F508 HydrophobicContact SD-CE1 4.03Å; M463-F508 HydrophobicContact SD-CE2 4.34Å; M463-F508 HydrophobicContact SD-CZ 3.63Å
464	K	78.4	Confident	79.3	Confident	70 Å²	70	37.2 Å²	37.2	30%	0.304	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.4	128.2	167.6	-171.4	173.6	-179.4	166	0	109.1	E416 E419 Y421 H482 R483	E416-K464 IonicContact OE2-NZ 3.45Å; E416-K464 PolarHBondContact OE2-NZ 3.33Å; E419-K464 WeakPolarHBondContact OE1-CE 3.45Å; E419-K464 IonicContact OE1-NZ 3.19Å; E419-K464 PolarHBondContact OE1-NZ 3.12Å; E419-K464 WeakPolarHBondContact OE2-CE 3.38Å; E419-K464 IonicContact OE2-NZ 2.76Å; E419-K464 PolarHBondContact OE2-NZ 3.18Å; Y421-K464 HydrophobicContact CD1-CB 4.4Å; Y421-K464 HydrophobicContact CE1-CB 4.13Å; Y421-K464 HydrophobicContact CE1-CG 4.34Å; K464-H482 PolarHBondContact O-ND1 2.93Å; K464-R483 PolarHBondContact N-O 2.77Å
465	S	72.8	Confident	77.7	Confident	3 Å²	3	35.5 Å²	35.5	2%	0.021	18%	0.184	C	C	.	.			trans	-152.3	128.1	-179.7	178.3	0	0	0	0	111.7	K420 D467 R468 L469 H482	K420-S465 CarbonylContact C-O 3.4Å; K420-S465 WeakPolarHBondContact CB-O 3.34Å; K420-S465 CarbonylContact O-C 3.54Å; K420-S465 PolarHBondContact O-N 2.99Å; S465-D467 PolarHBondContact O-N 3Å; S465-D467 PolarHBondContact OG-OD1 2.81Å; S465-R468 PolarHBondContact O-N 3.02Å; S465-R468 VanDerWaalsContact O-N 3.11Å; S465-R468 PolarHBondContact OG-N 2.9Å; S465-L469 PolarHBondContact OG-N 3.13Å; S465-H482 PolarHBondContact OG-CE1 2.88Å
466	N	69.5	Low	75.7	Confident	136 Å²	136	36.9 Å²	36.9	73%	0.727	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-19.9	-177.6	-67	-17.8	0	0	0	114.5	K420	K420-N466 WeakPolarHBondContact CD-O 3.24Å; K420-N466 WeakPolarHBondContact CE-O 3.19Å; K420-N466 PolarHBondContact NZ-O 3.17Å
467	D	70.5	Confident	73.6	Confident	49 Å²	49	37.4 Å²	37.4	26%	0.262	21%	0.208	S	C	.	.	T	Hydrogen-bonded Turn	trans	-136.2	22.4	-179.7	62.4	13.9	0	0	0	113.7	S465 L469 N470 N474	S465-D467 PolarHBondContact O-N 3Å; S465-D467 PolarHBondContact OG-OD1 2.81Å; D467-L469 PolarHBondContact O-N 2.75Å; D467-L469 PolarHBondContact OD1-N 2.82Å; D467-L469 VanDerWaalsContact OD1-N 3.15Å; D467-N470 WeakPolarHBondContact O-CB 3.38Å; D467-N470 VanDerWaalsContact O-CG 3.28Å; D467-N470 PolarHBondContact O-N 2.99Å; D467-N470 VanDerWaalsContact O-N 3.1Å; D467-N470 PolarHBondContact O-OD1 2.89Å; D467-N474 PolarHBondContact OD1-ND2 2.93Å; D467-N474 PolarHBondContact OD2-ND2 3.38Å; D467-N474 PolarHBondContact OD2-OD1 3.23Å
468	R	74.4	Confident	71.4	Confident	43 Å²	43	40.4 Å²	40.4	16%	0.162	22%	0.222	C	C	.	.	T	Hydrogen-bonded Turn	trans	56.9	20.6	177.7	-49.5	176.1	178.8	171.5	2.1	114.5	K420 A422 S465 N470 L521 D522 D523 T525	K420-R468 HydrophobicContact CB-CG 3.66Å; K420-R468 HydrophobicContact CD-CG 3.89Å; K420-R468 HydrophobicContact CG-CG 4.06Å; A422-R468 WeakPolarHBondContact CB-O 3.4Å; S465-R468 PolarHBondContact O-N 3.02Å; S465-R468 VanDerWaalsContact O-N 3.11Å; S465-R468 PolarHBondContact OG-N 2.9Å; R468-N470 WeakPolarHBondContact CB-OD1 3.25Å; R468-N470 PolarHBondContact O-N 2.72Å; R468-N470 PolarHBondContact O-OD1 3.19Å; R468-L521 PolarHBondContact NH1-O 3.35Å; R468-D522 PolarHBondContact NH1-O 3.02Å; R468-D522 PolarHBondContact NH2-O 2.94Å; R468-D523 VanDerWaalsContact CZ-C 3.47Å; R468-D523 PolarHBondContact NE-O 3.07Å; R468-D523 PolarHBondContact NH2-O 3.41Å; R468-T525 WeakPolarHBondContact CB-OG1 3.44Å; R468-T525 VanDerWaalsContact CD-OG1 3.28Å; R468-T525 WeakPolarHBondContact CD-OG1 3.34Å
469	L	72	Confident	69.2	Low	2 Å²	2	42.9 Å²	42.9	1%	0.01	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.6	23.3	-176.6	-53	175.4	0	0	0	113.9	A422 M463 S465 D467 N471 N474 F475 H482 Y527	A422-L469 HydrophobicContact CB-CB 4.14Å; A422-L469 HydrophobicContact CB-CD1 3.54Å; A422-L469 HydrophobicContact CB-CG 3.76Å; M463-L469 HydrophobicContact CE-CD1 3.49Å; M463-L469 VanDerWaalsContact CE-CD1 3.49Å; S465-L469 PolarHBondContact OG-N 3.13Å; D467-L469 PolarHBondContact O-N 2.75Å; D467-L469 PolarHBondContact OD1-N 2.82Å; D467-L469 VanDerWaalsContact OD1-N 3.15Å; L469-N471 PolarHBondContact O-N 2.9Å; L469-N474 HydrophobicContact CD2-CB 4.09Å; L469-F475 HydrophobicContact CB-CD1 4.28Å; L469-F475 HydrophobicContact CB-CD2 4.34Å; L469-F475 HydrophobicContact CB-CE1 3.79Å; L469-F475 HydrophobicContact CB-CE2 3.82Å; L469-F475 HydrophobicContact CB-CZ 3.54Å; L469-F475 HydrophobicContact CD1-CD1 4Å; L469-F475 HydrophobicContact CD1-CE1 3.5Å; L469-F475 VanDerWaalsContact CD1-CE1 3.5Å; L469-F475 HydrophobicContact CD1-CZ 4.07Å; L469-F475 HydrophobicContact CG-CE1 4.17Å; L469-F475 HydrophobicContact CG-CZ 4.4Å; L469-F475 WeakPolarHBondContact O-CE2 3.27Å; L469-H482 VanDerWaalsContact CD2-CE1 3.43Å; L469-H482 WeakPolarHBondContact CD2-CE1 3.38Å; L469-Y527 HydrophobicContact CB-CE2 4.33Å; L469-Y527 PolarHBondContact O-OH 3.07Å
470	N	68.5	Low	67.1	Low	58 Å²	58	49.3 Å²	49.3	31%	0.31	27%	0.269	S	S	.	.			trans	-65.6	-14.2	-174.5	-69.2	8.3	0	0	0	114.4	D467 R468 E520 T525	D467-N470 WeakPolarHBondContact O-CB 3.38Å; D467-N470 VanDerWaalsContact O-CG 3.28Å; D467-N470 PolarHBondContact O-N 2.99Å; D467-N470 VanDerWaalsContact O-N 3.1Å; D467-N470 PolarHBondContact O-OD1 2.89Å; R468-N470 WeakPolarHBondContact CB-OD1 3.25Å; R468-N470 PolarHBondContact O-N 2.72Å; R468-N470 PolarHBondContact O-OD1 3.19Å; N470-E520 PolarHBondContact ND2-OE1 2.88Å; N470-T525 PolarHBondContact OD1-OG1 2.85Å
471	N	68.2	Low	65.3	Low	99 Å²	99	51.7 Å²	51.7	53%	0.529	29%	0.294	S	S	.	.	S	Bend	trans	-114.4	144.9	176.1	-58.5	-53.9	0	0	0	112.3	L469 G473 N474	L469-N471 PolarHBondContact O-N 2.9Å; N471-G473 PolarHBondContact O-N 2.72Å; N471-G473 VanDerWaalsContact O-N 3.16Å; N471-N474 WeakPolarHBondContact CB-ND2 3.49Å; N471-N474 PolarHBondContact N-ND2 2.61Å; N471-N474 VanDerWaalsContact N-ND2 3.15Å; N471-N474 VanDerWaalsContact O-CB 3.27Å; N471-N474 WeakPolarHBondContact O-CB 3.22Å; N471-N474 PolarHBondContact O-N 2.76Å; N471-N474 PolarHBondContact O-ND2 2.84Å
472	I	60.8	Low	63.8	Low	97 Å²	97	53.2 Å²	53.2	50%	0.497	30%	0.301	S	S	.	.	H	α-helix	trans	-56.5	-34	177.7	-159.9	168.5	0	0	0	113.1	N474 F475 A476 F497 L516	I472-N474 PolarHBondContact O-N 3.34Å; I472-F475 PolarHBondContact O-N 2.9Å; I472-A476 PolarHBondContact O-N 2.86Å; I472-F497 HydrophobicContact CD1-CD1 4.08Å; I472-F497 HydrophobicContact CD1-CE1 3.53Å; I472-F497 HydrophobicContact CD1-CZ 3.82Å; I472-F497 HydrophobicContact CG1-CD1 4.36Å; I472-F497 HydrophobicContact CG1-CE1 3.38Å; I472-F497 HydrophobicContact CG1-CE2 4.09Å; I472-F497 HydrophobicContact CG1-CZ 3.2Å; I472-L516 HydrophobicContact CB-CD1 4.46Å; I472-L516 HydrophobicContact CD1-CD1 3.96Å; I472-L516 HydrophobicContact CG1-CD1 4.07Å
473	G	59.9	Low	62.7	Low	42 Å²	42	59.8 Å²	59.8	43%	0.433	33%	0.326	S	S	.	.	H	α-helix	trans	-63.1	-26.1	176.7	0	0	0	0	0	113.4	N471 A476 S477	N471-G473 PolarHBondContact O-N 2.72Å; N471-G473 VanDerWaalsContact O-N 3.16Å; G473-A476 CarbonylContact O-C 3.56Å; G473-A476 PolarHBondContact O-N 2.8Å; G473-S477 PolarHBondContact O-N 3.39Å
474	N	60.9	Low	62.3	Low	28 Å²	28	60.2 Å²	60.2	15%	0.15	33%	0.328	C	S	.	.	H	α-helix	trans	-78.6	-34.3	-179.3	-49.4	-20.8	0	0	0	111.1	D467 L469 N471 I472 A476 S477 H482	D467-N474 PolarHBondContact OD1-ND2 2.93Å; D467-N474 PolarHBondContact OD2-ND2 3.38Å; D467-N474 PolarHBondContact OD2-OD1 3.23Å; L469-N474 HydrophobicContact CD2-CB 4.09Å; N471-N474 WeakPolarHBondContact CB-ND2 3.49Å; N471-N474 PolarHBondContact N-ND2 2.61Å; N471-N474 VanDerWaalsContact N-ND2 3.15Å; N471-N474 VanDerWaalsContact O-CB 3.27Å; N471-N474 WeakPolarHBondContact O-CB 3.22Å; N471-N474 PolarHBondContact O-N 2.76Å; N471-N474 PolarHBondContact O-ND2 2.84Å; I472-N474 PolarHBondContact O-N 3.34Å; N474-A476 PolarHBondContact O-N 2.93Å; N474-S477 PolarHBondContact O-OG 2.99Å; N474-S477 VanDerWaalsContact O-OG 3.05Å; N474-H482 PolarHBondContact O-NE2 3.12Å
475	F	62	Low	62.4	Low	6 Å²	6	58.9 Å²	58.9	3%	0.026	32%	0.324	C	S	.	.	H	α-helix	trans	-69.3	-28	169.6	-70.7	-73.2	0	0	0	112.1	L469 I472 T495 F497 L506 I513 L516 Y527	L469-F475 HydrophobicContact CB-CD1 4.28Å; L469-F475 HydrophobicContact CB-CD2 4.34Å; L469-F475 HydrophobicContact CB-CE1 3.79Å; L469-F475 HydrophobicContact CB-CE2 3.82Å; L469-F475 HydrophobicContact CB-CZ 3.54Å; L469-F475 HydrophobicContact CD1-CD1 4Å; L469-F475 HydrophobicContact CD1-CE1 3.5Å; L469-F475 VanDerWaalsContact CD1-CE1 3.5Å; L469-F475 HydrophobicContact CD1-CZ 4.07Å; L469-F475 HydrophobicContact CG-CE1 4.17Å; L469-F475 HydrophobicContact CG-CZ 4.4Å; L469-F475 WeakPolarHBondContact O-CE2 3.27Å; I472-F475 PolarHBondContact O-N 2.9Å; F475-T495 WeakPolarHBondContact O-CB 3.34Å; F475-T495 PolarHBondContact O-OG1 2.98Å; F475-F497 HydrophobicContact CB-CZ 4.08Å; F475-L506 HydrophobicContact CB-CD1 4.23Å; F475-L506 HydrophobicContact CB-CD2 3.81Å; F475-L506 HydrophobicContact CD1-CD2 3.19Å; F475-L506 HydrophobicContact CD1-CG 4.46Å; F475-L506 HydrophobicContact CD2-CD2 3.64Å; F475-L506 HydrophobicContact CE1-CD2 3.4Å; F475-L506 VanDerWaalsContact CE1-CD2 3.4Å; F475-L506 HydrophobicContact CE2-CD2 3.85Å; F475-L506 HydrophobicContact CG-CD2 3.27Å; F475-L506 HydrophobicContact CZ-CD2 3.72Å; F475-I513 HydrophobicContact CE1-CD1 4.25Å; F475-I513 HydrophobicContact CZ-CD1 4.32Å; F475-L516 HydrophobicContact CE2-CD2 4.41Å; F475-Y527 HydrophobicContact CE2-CE1 4.22Å; F475-Y527 HydrophobicContact CZ-CD1 4.44Å; F475-Y527 HydrophobicContact CZ-CD2 4.33Å; F475-Y527 AromaticContact CZ-CE1 3.95Å; F475-Y527 HydrophobicContact CZ-CE1 3.95Å; F475-Y527 AromaticContact CZ-CE2 3.87Å; F475-Y527 HydrophobicContact CZ-CE2 3.87Å; F475-Y527 AromaticContact CZ-CZ 3.67Å
476	A	51.9	Low	62.9	Low	35 Å²	35	59.1 Å²	59.1	29%	0.289	33%	0.325	S	S	.	.	H	α-helix	trans	-89.7	-10.3	-179.5	0	0	0	0	0	113.8	I472 G473 N474 H478 F497	I472-A476 PolarHBondContact O-N 2.86Å; G473-A476 CarbonylContact O-C 3.56Å; G473-A476 PolarHBondContact O-N 2.8Å; N474-A476 PolarHBondContact O-N 2.93Å; A476-H478 PolarHBondContact O-CD2 2.92Å; A476-H478 PolarHBondContact O-CE1 2.86Å; A476-H478 VanDerWaalsContact O-CG 3.22Å; A476-H478 PolarHBondContact O-N 3.4Å; A476-H478 PolarHBondContact O-ND1 3.07Å; A476-H478 PolarHBondContact O-NE2 3.37Å; A476-F497 HydrophobicContact CB-CE2 4.32Å
477	S	48.2	Very low	63.1	Low	60 Å²	60	57.8 Å²	57.8	42%	0.42	32%	0.324	S	S	.	.	S	Bend	trans	-76.3	74.3	177.1	57.8	0	0	0	0	110.4	G473 N474 T479	G473-S477 PolarHBondContact O-N 3.39Å; N474-S477 PolarHBondContact O-OG 2.99Å; N474-S477 VanDerWaalsContact O-OG 3.05Å; S477-T479 PolarHBondContact O-N 3.26Å; S477-T479 VanDerWaalsContact O-N 3.1Å
478	H	46.9	Very low	62.9	Low	64 Å²	64	63 Å²	63	30%	0.296	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	-44.7	110.7	-178.8	-55.3	-59.9	0	0	0	112	A476 Q480 Y621	A476-H478 PolarHBondContact O-CD2 2.92Å; A476-H478 PolarHBondContact O-CE1 2.86Å; A476-H478 VanDerWaalsContact O-CG 3.22Å; A476-H478 PolarHBondContact O-N 3.4Å; A476-H478 PolarHBondContact O-ND1 3.07Å; A476-H478 PolarHBondContact O-NE2 3.37Å; H478-Q480 PolarHBondContact O-N 2.81Å; H478-Y621 HydrophobicContact CB-CD1 4.13Å; H478-Y621 HydrophobicContact CB-CD2 4.2Å; H478-Y621 HydrophobicContact CB-CE1 4.03Å; H478-Y621 HydrophobicContact CB-CE2 4.14Å; H478-Y621 HydrophobicContact CB-CG 4.2Å; H478-Y621 AromaticContact CD2-CE2 3.47Å; H478-Y621 VanDerWaalsContact CD2-CE2 3.47Å; H478-Y621 WeakPolarHBondContact CD2-CE2 3.38Å; H478-Y621 AromaticContact CD2-CZ 3.26Å; H478-Y621 PolarHBondContact CD2-OH 3.17Å; H478-Y621 AromaticContact CE1-CD2 3.75Å; H478-Y621 AromaticContact CE1-CE2 3.09Å; H478-Y621 WeakPolarHBondContact CE1-CE2 3.5Å; H478-Y621 AromaticContact CE1-CZ 3.75Å; H478-Y621 AromaticContact CG-CD2 3.71Å; H478-Y621 AromaticContact CG-CE1 3.93Å; H478-Y621 AromaticContact CG-CE2 3.3Å; H478-Y621 AromaticContact CG-CZ 3.38Å; H478-Y621 AromaticContact ND1-CD2 3.31Å; H478-Y621 VanDerWaalsContact ND1-CD2 3.31Å; H478-Y621 WeakPolarHBondContact ND1-CD2 3.41Å; H478-Y621 AromaticContact ND1-CE2 3.05Å; H478-Y621 WeakPolarHBondContact ND1-CE2 3.3Å; H478-Y621 AromaticContact ND1-CZ 3.68Å; H478-Y621 AromaticContact NE2-CE2 3.31Å; H478-Y621 VanDerWaalsContact NE2-CE2 3.31Å; H478-Y621 WeakPolarHBondContact NE2-CE2 2.9Å; H478-Y621 AromaticContact NE2-CZ 3.48Å; H478-Y621 PolarHBondContact NE2-OH 3.19Å; H478-Y621 VanDerWaalsContact NE2-OH 3.14Å
479	T	46.7	Very low	62.7	Low	51 Å²	51	62.9 Å²	62.9	31%	0.313	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.7	9.9	157.9	72.1	0	0	0	0	120.3	S477 K573	S477-T479 PolarHBondContact O-N 3.26Å; S477-T479 VanDerWaalsContact O-N 3.1Å; T479-K573 HydrophobicContact CG2-CD 4.12Å; T479-K573 HydrophobicContact CG2-CG 4.3Å; T479-K573 WeakPolarHBondContact OG1-CE 3.41Å; T479-K573 PolarHBondContact OG1-NZ 3.4Å
480	Q	46.6	Very low	62.2	Low	191 Å²	191	65.2 Å²	65.2	89%	0.893	37%	0.37	S	S	*	.	S	Bend	trans	-104.7	35.6	175.8	-70.4	-162	3.8	0	0	115.5	H478	H478-Q480 PolarHBondContact O-N 2.81Å
481	G	51.1	Low	61.8	Low	52 Å²	52	62.9 Å²	62.9	54%	0.536	36%	0.357	S	S	.	.	S	Bend	trans	152	-2	154.6	0	0	0	0	0	120.4	R483	G481-R483 PolarHBondContact O-N 3.24Å; G481-R483 VanDerWaalsContact O-N 3.12Å
482	H	59	Low	61.2	Low	31 Å²	31	58.5 Å²	58.5	14%	0.144	33%	0.333	C	S	.	.			trans	-77.5	110.7	176.6	-42.6	-68.7	0	0	0	109.8	M463 K464 S465 L469 N474 L491 E493	M463-H482 HydrophobicContact CB-CB 4.48Å; K464-H482 PolarHBondContact O-ND1 2.93Å; S465-H482 PolarHBondContact OG-CE1 2.88Å; L469-H482 VanDerWaalsContact CD2-CE1 3.43Å; L469-H482 WeakPolarHBondContact CD2-CE1 3.38Å; N474-H482 PolarHBondContact O-NE2 3.12Å; H482-L491 HydrophobicContact CB-CD2 4.18Å; H482-L491 WeakPolarHBondContact O-CB 3.33Å; H482-E493 WeakPolarHBondContact CB-OE1 3.42Å; H482-E493 IonicContact CD2-OE1 2.71Å; H482-E493 PolarHBondContact CD2-OE1 3.45Å; H482-E493 IonicContact CG-OE1 3.65Å; H482-E493 PolarHBondContact N-OE1 3.08Å
483	R	65.8	Low	60.9	Low	139 Å²	139	54.7 Å²	54.7	53%	0.525	31%	0.313	S	S	.	.	B	Isolated β-bridge	trans	-99.5	144.6	167.7	-65	-161.8	-179.9	-83.7	-0.9	108.6	K464 G481	K464-R483 PolarHBondContact N-O 2.77Å; G481-R483 PolarHBondContact O-N 3.24Å; G481-R483 VanDerWaalsContact O-N 3.12Å
484	T	75.1	Confident	60.9	Low	8 Å²	8	52.9 Å²	52.9	5%	0.049	29%	0.294	C	S	.	.	B	Isolated β-bridge	trans	-65.4	169.6	162.3	69.8	0	0	0	0	109.1	Y460 I462 N486 L491	Y460-T484 HydrophobicContact CD2-CG2 3.62Å; Y460-T484 HydrophobicContact CE2-CG2 3.8Å; Y460-T484 HydrophobicContact CG-CG2 4.11Å; I462-T484 CarbonylContact O-C 3.5Å; I462-T484 VanDerWaalsContact O-CA 3.27Å; I462-T484 WeakPolarHBondContact O-CA 3.25Å; T484-N486 PolarHBondContact O-N 3.14Å; T484-N486 PolarHBondContact OG1-N 3.14Å; T484-L491 HydrophobicContact CG2-CB 3.69Å; T484-L491 HydrophobicContact CG2-CD1 3.36Å; T484-L491 HydrophobicContact CG2-CG 4Å
485	M	79.8	Confident	61.1	Low	42 Å²	42	51.8 Å²	51.8	21%	0.207	29%	0.288	C	S	.	.	S	Bend	trans	-72.2	-0.8	170.9	-74.1	-169.4	70.1	0	0	113.9	I413 K414 M415 Y421 R459 I462 P487	I413-M485 HydrophobicContact CG2-CE 3.57Å; I413-M485 HydrophobicContact CG2-SD 3.5Å; I413-M485 VanDerWaalsContact CG2-SD 3.5Å; K414-M485 WeakPolarHBondContact O-CE 3.35Å; M415-M485 HydrophobicContact CG-SD 4.41Å; Y421-M485 HydrophobicContact CE1-SD 4.44Å; R459-M485 HydrophobicContact CB-CB 3.92Å; R459-M485 HydrophobicContact CG-CB 4.13Å; R459-M485 PolarHBondContact O-N 3.31Å; I462-M485 HydrophobicContact CB-CG 3.91Å; I462-M485 HydrophobicContact CB-SD 3.82Å; I462-M485 HydrophobicContact CD1-SD 3.8Å; I462-M485 HydrophobicContact CG1-SD 4.44Å; I462-M485 HydrophobicContact CG2-CG 3.79Å; I462-M485 HydrophobicContact CG2-SD 3.43Å; I462-M485 WeakPolarHBondContact CG2-SD 3.5Å; I462-M485 PolarHBondContact O-N 3.08Å; I462-M485 VanDerWaalsContact O-N 3.14Å; M485-P487 WeakPolarHBondContact O-CD 3.49Å
486	N	83.7	Confident	61.4	Low	8 Å²	8	51.9 Å²	51.9	4%	0.043	29%	0.288	C	S	.	.	S	Bend	trans	-78.3	122.2	171.1	-70.5	-31.2	0	0	0	109.7	R456 R459 T484 N488 E489	R456-N486 WeakPolarHBondContact CG-ND2 3.39Å; R456-N486 PolarHBondContact O-ND2 3.11Å; R459-N486 WeakPolarHBondContact CB-OD1 3.45Å; R459-N486 WeakPolarHBondContact CD-OD1 3.41Å; T484-N486 PolarHBondContact O-N 3.14Å; T484-N486 PolarHBondContact OG1-N 3.14Å; N486-N488 PolarHBondContact O-N 3.42Å; N486-E489 HydrophobicContact CB-CB 3.85Å; N486-E489 VanDerWaalsContact CB-CD 3.45Å; N486-E489 HydrophobicContact CB-CG 3.8Å; N486-E489 VanDerWaalsContact CB-OE2 3.23Å; N486-E489 WeakPolarHBondContact CB-OE2 3.35Å; N486-E489 PolarHBondContact ND2-OE2 3.2Å; N486-E489 PolarHBondContact O-N 3.44Å
487	P	72.6	Confident	62.4	Low	108 Å²	108	53.6 Å²	53.6	70%	0.701	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	137.3	176.6	-22.9	33.3	0	0	0	111.4	M485 E489	M485-P487 WeakPolarHBondContact O-CD 3.49Å; P487-E489 PolarHBondContact O-N 3.33Å
488	N	67	Low	63.4	Low	159 Å²	159	54.7 Å²	54.7	85%	0.85	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	61	5.6	176.6	-52	-40.1	0	0	0	116.1	N486	N486-N488 PolarHBondContact O-N 3.42Å
489	E	70.1	Confident	64.5	Low	40 Å²	40	60.4 Å²	60.4	19%	0.187	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-90	123.1	170.5	-65.7	-172.2	179.2	0	0	109.2	R456 N486 P487	R456-E489 IonicContact CZ-OE1 3.36Å; R456-E489 IonicContact NE-OE1 3.25Å; R456-E489 PolarHBondContact NE-OE1 2.8Å; R456-E489 IonicContact NE-OE2 3.05Å; R456-E489 IonicContact NH2-OE1 2.7Å; R456-E489 PolarHBondContact NH2-OE1 3.46Å; N486-E489 HydrophobicContact CB-CB 3.85Å; N486-E489 VanDerWaalsContact CB-CD 3.45Å; N486-E489 HydrophobicContact CB-CG 3.8Å; N486-E489 VanDerWaalsContact CB-OE2 3.23Å; N486-E489 WeakPolarHBondContact CB-OE2 3.35Å; N486-E489 PolarHBondContact ND2-OE2 3.2Å; N486-E489 PolarHBondContact O-N 3.44Å; P487-E489 PolarHBondContact O-N 3.33Å
490	S	61.9	Low	65.6	Low	52 Å²	52	59.5 Å²	59.5	36%	0.364	31%	0.305	S	S	.	.	B	Isolated β-bridge	trans	-69.5	131.5	164.2	-67.5	0	0	0	0	107.9	Y492	S490-Y492 PolarHBondContact O-N 2.82Å
491	L	60.1	Low	66.9	Low	8 Å²	8	56.3 Å²	56.3	4%	0.042	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-66.9	129.3	166.8	175	63.3	0	0	0	107.9	Y460 M463 H482 T484 E493 F508	Y460-L491 HydrophobicContact CE1-CD1 4.18Å; Y460-L491 HydrophobicContact CE2-CD1 4.39Å; M463-L491 HydrophobicContact CG-CD2 3.78Å; H482-L491 HydrophobicContact CB-CD2 4.18Å; H482-L491 WeakPolarHBondContact O-CB 3.33Å; T484-L491 HydrophobicContact CG2-CB 3.69Å; T484-L491 HydrophobicContact CG2-CD1 3.36Å; T484-L491 HydrophobicContact CG2-CG 4Å; L491-E493 HydrophobicContact CB-CG 4.33Å; L491-E493 HydrophobicContact CD2-CG 3.46Å; L491-E493 VanDerWaalsContact CD2-CG 3.46Å; L491-E493 HydrophobicContact CG-CG 3.78Å; L491-E493 PolarHBondContact O-N 3.34Å; L491-F508 HydrophobicContact CD1-CE1 3.73Å; L491-F508 HydrophobicContact CD1-CE2 4.32Å; L491-F508 HydrophobicContact CD1-CZ 3.35Å; L491-F508 HydrophobicContact CD2-CE1 4.45Å; L491-F508 HydrophobicContact CD2-CE2 3.62Å; L491-F508 HydrophobicContact CD2-CZ 3.29Å; L491-F508 HydrophobicContact CG-CE2 4.33Å; L491-F508 HydrophobicContact CG-CZ 3.78Å
492	Y	55.9	Low	67.9	Low	8 Å²	8	63.7 Å²	63.7	3%	0.031	31%	0.314	C	S	.	.			trans	-71.3	76.5	168.6	-128.7	-87.8	0	0	0	108.3	Y460 S490 T494 H509 P572 W623 A678 G681 I682	Y460-Y492 VanDerWaalsContact OH-CB 3.22Å; Y460-Y492 WeakPolarHBondContact OH-CB 3.38Å; Y460-Y492 PolarHBondContact OH-N 3.37Å; Y460-Y492 VanDerWaalsContact OH-N 3.1Å; S490-Y492 PolarHBondContact O-N 2.82Å; Y492-T494 HydrophobicContact CD1-CG2 3.56Å; Y492-T494 HydrophobicContact CE1-CG2 3.81Å; Y492-T494 PolarHBondContact O-N 3.36Å; Y492-H509 AromaticContact CD1-CE1 4Å; Y492-H509 AromaticContact CD1-ND1 3.97Å; Y492-P572 HydrophobicContact CD2-CB 4.03Å; Y492-P572 HydrophobicContact CE2-CB 3.78Å; Y492-P572 PolarHBondContact OH-O 2.91Å; Y492-P572 VanDerWaalsContact OH-O 3.08Å; Y492-W623 WeakPolarHBondContact CE1-O 3.49Å; Y492-A678 WeakPolarHBondContact CE2-O 3.35Å; Y492-G681 WeakPolarHBondContact OH-CA 2.82Å; Y492-G681 PolarHBondContact OH-N 2.79Å; Y492-G681 PolarHBondContact OH-O 3.17Å; Y492-G681 VanDerWaalsContact OH-O 3.04Å; Y492-I682 HydrophobicContact CE1-CD1 3.92Å; Y492-I682 HydrophobicContact CE1-CG1 3.57Å; Y492-I682 VanDerWaalsContact OH-CG1 3.24Å; Y492-I682 WeakPolarHBondContact OH-CG1 3.37Å; Y492-I682 PolarHBondContact OH-N 3.3Å; Y492-I682 VanDerWaalsContact OH-N 3.13Å
493	E	53.7	Low	68.6	Low	17 Å²	17	63.4 Å²	63.4	8%	0.079	32%	0.32	C	S	.	.			trans	-73.3	67.9	173.9	-71.2	177.7	-151.3	0	0	109.7	H482 L491 T495	H482-E493 WeakPolarHBondContact CB-OE1 3.42Å; H482-E493 IonicContact CD2-OE1 2.71Å; H482-E493 PolarHBondContact CD2-OE1 3.45Å; H482-E493 IonicContact CG-OE1 3.65Å; H482-E493 PolarHBondContact N-OE1 3.08Å; L491-E493 HydrophobicContact CB-CG 4.33Å; L491-E493 HydrophobicContact CD2-CG 3.46Å; L491-E493 VanDerWaalsContact CD2-CG 3.46Å; L491-E493 HydrophobicContact CG-CG 3.78Å; L491-E493 PolarHBondContact O-N 3.34Å; E493-T495 HydrophobicContact CB-CG2 4.38Å; E493-T495 PolarHBondContact O-N 3.08Å
494	T	59.6	Low	69.2	Low	4 Å²	4	60.1 Å²	60.1	3%	0.025	32%	0.318	C	S	.	.			trans	-82.9	70.1	158	59.3	0	0	0	0	105.7	Y492 N507 H509 W623	Y492-T494 HydrophobicContact CD1-CG2 3.56Å; Y492-T494 HydrophobicContact CE1-CG2 3.81Å; Y492-T494 PolarHBondContact O-N 3.36Å; T494-N507 VanDerWaalsContact O-O 3.04Å; T494-H509 PolarHBondContact O-N 3.41Å; T494-H509 VanDerWaalsContact O-N 3.11Å; T494-H509 VanDerWaalsContact OG1-CA 3.26Å; T494-H509 WeakPolarHBondContact OG1-CA 3.42Å; T494-H509 PolarHBondContact OG1-ND1 2.87Å; T494-H509 VanDerWaalsContact OG1-ND1 3.08Å; T494-W623 WeakPolarHBondContact CG2-O 3.34Å
495	T	64.8	Low	69.3	Low	5 Å²	5	61.4 Å²	61.4	3%	0.031	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	117.4	173.4	48.8	0	0	0	0	108.1	F475 E493 N507 F508	F475-T495 WeakPolarHBondContact O-CB 3.34Å; F475-T495 PolarHBondContact O-OG1 2.98Å; E493-T495 HydrophobicContact CB-CG2 4.38Å; E493-T495 PolarHBondContact O-N 3.08Å; T495-N507 VanDerWaalsContact CA-O 3.26Å; T495-N507 WeakPolarHBondContact CA-O 3.44Å; T495-F508 HydrophobicContact CG2-CD2 3.68Å; T495-F508 HydrophobicContact CG2-CE2 4.28Å
496	Y	68.9	Low	69.3	Low	8 Å²	8	59.4 Å²	59.4	3%	0.031	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	147.3	177.2	65.9	-93.5	0	0	0	112.6	L506 N507 G628 Y629	Y496-L506 CarbonylContact O-C 3.58Å; Y496-L506 WeakPolarHBondContact O-CA 3.3Å; Y496-N507 HydrophobicContact CD1-CB 3.76Å; Y496-N507 HydrophobicContact CD2-CB 3.91Å; Y496-N507 HydrophobicContact CE1-CB 3.33Å; Y496-N507 HydrophobicContact CE2-CB 3.49Å; Y496-N507 VanDerWaalsContact CE2-CB 3.49Å; Y496-N507 WeakPolarHBondContact CE2-ND2 3.45Å; Y496-N507 HydrophobicContact CG-CB 4.03Å; Y496-N507 PolarHBondContact N-O 2.86Å; Y496-N507 VanDerWaalsContact N-O 3.11Å; Y496-N507 PolarHBondContact O-N 2.88Å; Y496-N507 VanDerWaalsContact OH-CG 3.32Å; Y496-N507 PolarHBondContact OH-OD1 3.18Å; Y496-G628 WeakPolarHBondContact CD2-O 3.04Å; Y496-G628 WeakPolarHBondContact CE2-O 3.49Å; Y496-G628 VanDerWaalsContact OH-CA 3.25Å; Y496-G628 WeakPolarHBondContact OH-CA 3.49Å; Y496-Y629 VanDerWaalsContact CB-OH 3.29Å; Y496-Y629 WeakPolarHBondContact CB-OH 3.11Å; Y496-Y629 HydrophobicContact CD1-CE2 4.39Å; Y496-Y629 HydrophobicContact CD2-CE2 4.22Å; Y496-Y629 HydrophobicContact CG-CD2 4.34Å; Y496-Y629 AromaticContact CG-CE2 3.76Å; Y496-Y629 HydrophobicContact CG-CE2 3.76Å
497	F	72.2	Confident	69.1	Low	71 Å²	71	59.3 Å²	59.3	31%	0.311	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	128.1	178	-65.5	-83.3	0	0	0	110.2	I472 F475 A476 Q505 L506 L516	I472-F497 HydrophobicContact CD1-CD1 4.08Å; I472-F497 HydrophobicContact CD1-CE1 3.53Å; I472-F497 HydrophobicContact CD1-CZ 3.82Å; I472-F497 HydrophobicContact CG1-CD1 4.36Å; I472-F497 HydrophobicContact CG1-CE1 3.38Å; I472-F497 HydrophobicContact CG1-CE2 4.09Å; I472-F497 HydrophobicContact CG1-CZ 3.2Å; F475-F497 HydrophobicContact CB-CZ 4.08Å; A476-F497 HydrophobicContact CB-CE2 4.32Å; F497-Q505 CarbonylContact C-O 3.52Å; F497-Q505 WeakPolarHBondContact CA-O 3.46Å; F497-L506 HydrophobicContact CD1-CB 4.1Å; F497-L506 HydrophobicContact CD1-CD1 4.2Å; F497-L506 HydrophobicContact CD2-CD1 4.48Å; F497-L506 HydrophobicContact CE1-CB 3.84Å; F497-L506 HydrophobicContact CE1-CD1 3.79Å; F497-L506 HydrophobicContact CE1-CG 4.25Å; F497-L506 HydrophobicContact CE2-CD1 4.1Å; F497-L506 HydrophobicContact CZ-CD1 3.73Å; F497-L516 HydrophobicContact CE1-CD1 4.25Å; F497-L516 HydrophobicContact CE1-CD2 4.38Å
498	K	70.5	Confident	69.3	Low	82 Å²	82	54.3 Å²	54.3	36%	0.357	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	135.5	167.7	-177.9	168.1	-178.1	159.6	0	109.3	T500 Q505 E631	K498-T500 HydrophobicContact CG-CG2 4.24Å; K498-Q505 PolarHBondContact N-O 2.99Å; K498-Q505 PolarHBondContact O-N 3.15Å; K498-E631 WeakPolarHBondContact CE-OE1 2.87Å; K498-E631 IonicContact NZ-OE1 2.9Å; K498-E631 PolarHBondContact NZ-OE1 3.06Å
499	K	69.6	Low	69.8	Low	185 Å²	185	46.8 Å²	46.8	80%	0.804	24%	0.24	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-87.2	120.3	166.9	-166.6	172.5	-176.5	176.5	0	108.6
500	T	69.6	Low	70.4	Confident	32 Å²	32	45 Å²	45	20%	0.196	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	164.8	175.7	75.4	0	0	0	0	109.7	K498 Y502 G503 Q505	K498-T500 HydrophobicContact CG-CG2 4.24Å; T500-Y502 PolarHBondContact O-N 3.29Å; T500-Y502 PolarHBondContact OG1-N 3.32Å; T500-G503 PolarHBondContact N-O 3.33Å; T500-G503 PolarHBondContact O-N 2.74Å; T500-G503 VanDerWaalsContact O-N 3.1Å; T500-G503 PolarHBondContact OG1-N 3.18Å; T500-G503 PolarHBondContact OG1-O 2.83Å; T500-Q505 HydrophobicContact CG2-CB 3.98Å
501	P	73.6	Confident	71.6	Confident	124 Å²	124	42.5 Å²	42.5	81%	0.805	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-20.6	170.8	-25.7	35.5	0	0	0	114
502	Y	71.8	Confident	72.9	Confident	206 Å²	206	42.3 Å²	42.3	81%	0.808	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-95.7	-6.1	-178.6	-55.8	-70.4	0	0	0	113.9	T500 N515	T500-Y502 PolarHBondContact O-N 3.29Å; T500-Y502 PolarHBondContact OG1-N 3.32Å; Y502-N515 PolarHBondContact O-OD1 2.79Å
503	G	74.9	Confident	74.3	Confident	26 Å²	26	41.9 Å²	41.9	27%	0.268	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	132.6	-175.7	-176.8	0	0	0	0	0	113.6	T500	T500-G503 PolarHBondContact N-O 3.33Å; T500-G503 PolarHBondContact O-N 2.74Å; T500-G503 VanDerWaalsContact O-N 3.1Å; T500-G503 PolarHBondContact OG1-N 3.18Å; T500-G503 PolarHBondContact OG1-O 2.83Å
504	S	76.9	Confident	75.7	Confident	69 Å²	69	44.9 Å²	44.9	48%	0.483	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	130.3	174.4	-61.4	0	0	0	0	110	N515	S504-N515 WeakPolarHBondContact O-CA 3.41Å; S504-N515 PolarHBondContact O-N 3.31Å
505	Q	78.8	Confident	76.6	Confident	35 Å²	35	48.3 Å²	48.3	16%	0.164	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	125.2	175.6	-178.1	-177.6	62.5	0	0	108.3	F497 K498 T500 P512 N514	F497-Q505 CarbonylContact C-O 3.52Å; F497-Q505 WeakPolarHBondContact CA-O 3.46Å; K498-Q505 PolarHBondContact N-O 2.99Å; K498-Q505 PolarHBondContact O-N 3.15Å; T500-Q505 HydrophobicContact CG2-CB 3.98Å; Q505-P512 HydrophobicContact CG-CB 3.9Å; Q505-N514 PolarHBondContact NE2-OD1 3.4Å
506	L	79.7	Confident	77.2	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	126.6	168.2	168.4	68.5	0	0	0	108.1	F475 Y496 F497 P512 I513 L516	F475-L506 HydrophobicContact CB-CD1 4.23Å; F475-L506 HydrophobicContact CB-CD2 3.81Å; F475-L506 HydrophobicContact CD1-CD2 3.19Å; F475-L506 HydrophobicContact CD1-CG 4.46Å; F475-L506 HydrophobicContact CD2-CD2 3.64Å; F475-L506 HydrophobicContact CE1-CD2 3.4Å; F475-L506 VanDerWaalsContact CE1-CD2 3.4Å; F475-L506 HydrophobicContact CE2-CD2 3.85Å; F475-L506 HydrophobicContact CG-CD2 3.27Å; F475-L506 HydrophobicContact CZ-CD2 3.72Å; Y496-L506 CarbonylContact O-C 3.58Å; Y496-L506 WeakPolarHBondContact O-CA 3.3Å; F497-L506 HydrophobicContact CD1-CB 4.1Å; F497-L506 HydrophobicContact CD1-CD1 4.2Å; F497-L506 HydrophobicContact CD2-CD1 4.48Å; F497-L506 HydrophobicContact CE1-CB 3.84Å; F497-L506 HydrophobicContact CE1-CD1 3.79Å; F497-L506 HydrophobicContact CE1-CG 4.25Å; F497-L506 HydrophobicContact CE2-CD1 4.1Å; F497-L506 HydrophobicContact CZ-CD1 3.73Å; L506-P512 CarbonylContact O-C 3.28Å; L506-P512 WeakPolarHBondContact O-CA 3.41Å; L506-I513 HydrophobicContact CB-CB 4.43Å; L506-I513 HydrophobicContact CD2-CD1 4.05Å; L506-I513 PolarHBondContact N-O 2.89Å; L506-I513 PolarHBondContact O-N 2.9Å; L506-L516 HydrophobicContact CB-CD2 3.45Å; L506-L516 VanDerWaalsContact CB-CD2 3.45Å; L506-L516 HydrophobicContact CD2-CD2 3.69Å; L506-L516 HydrophobicContact CG-CD2 4.23Å
507	N	78.2	Confident	77.8	Confident	6 Å²	6	55.8 Å²	55.8	3%	0.032	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	117.6	171.8	-69.4	-90.8	0	0	0	107.8	T494 T495 Y496	T494-N507 VanDerWaalsContact O-O 3.04Å; T495-N507 VanDerWaalsContact CA-O 3.26Å; T495-N507 WeakPolarHBondContact CA-O 3.44Å; Y496-N507 HydrophobicContact CD1-CB 3.76Å; Y496-N507 HydrophobicContact CD2-CB 3.91Å; Y496-N507 HydrophobicContact CE1-CB 3.33Å; Y496-N507 HydrophobicContact CE2-CB 3.49Å; Y496-N507 VanDerWaalsContact CE2-CB 3.49Å; Y496-N507 WeakPolarHBondContact CE2-ND2 3.45Å; Y496-N507 HydrophobicContact CG-CB 4.03Å; Y496-N507 PolarHBondContact N-O 2.86Å; Y496-N507 VanDerWaalsContact N-O 3.11Å; Y496-N507 PolarHBondContact O-N 2.88Å; Y496-N507 VanDerWaalsContact OH-CG 3.32Å; Y496-N507 PolarHBondContact OH-OD1 3.18Å
508	F	77.9	Confident	78.5	Confident	4 Å²	4	54.6 Å²	54.6	2%	0.018	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	85.6	169.5	-174.5	-98.6	0	0	0	107.3	V424 M463 L491 T495 Y510 S511 I513 N533	V424-F508 HydrophobicContact CB-CD1 4.43Å; V424-F508 HydrophobicContact CG2-CB 4.44Å; V424-F508 HydrophobicContact CG2-CD1 3.79Å; V424-F508 HydrophobicContact CG2-CE1 4.13Å; V424-F508 HydrophobicContact CG2-CG 4.06Å; M463-F508 HydrophobicContact CE-CE1 4.45Å; M463-F508 HydrophobicContact CE-CE2 4.03Å; M463-F508 HydrophobicContact CE-CZ 3.91Å; M463-F508 HydrophobicContact CG-CE2 4.31Å; M463-F508 HydrophobicContact CG-CZ 3.73Å; M463-F508 HydrophobicContact SD-CE1 4.03Å; M463-F508 HydrophobicContact SD-CE2 4.34Å; M463-F508 HydrophobicContact SD-CZ 3.63Å; L491-F508 HydrophobicContact CD1-CE1 3.73Å; L491-F508 HydrophobicContact CD1-CE2 4.32Å; L491-F508 HydrophobicContact CD1-CZ 3.35Å; L491-F508 HydrophobicContact CD2-CE1 4.45Å; L491-F508 HydrophobicContact CD2-CE2 3.62Å; L491-F508 HydrophobicContact CD2-CZ 3.29Å; L491-F508 HydrophobicContact CG-CE2 4.33Å; L491-F508 HydrophobicContact CG-CZ 3.78Å; T495-F508 HydrophobicContact CG2-CD2 3.68Å; T495-F508 HydrophobicContact CG2-CE2 4.28Å; F508-Y510 PolarHBondContact O-N 2.86Å; F508-S511 PolarHBondContact N-O 3.44Å; F508-S511 WeakPolarHBondContact O-CB 3.3Å; F508-S511 PolarHBondContact O-N 2.97Å; F508-I513 HydrophobicContact CB-CD1 4.46Å; F508-N533 WeakPolarHBondContact CD1-ND2 3.42Å; F508-N533 PolarHBondContact O-ND2 2.92Å; F508-N533 PolarHBondContact O-OD1 3.45Å
509	H	78.2	Confident	79.4	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	-118.2	-169.5	-165.1	64.9	0	0	0	112.8	Y492 T494 S511 N533 G625	Y492-H509 AromaticContact CD1-CE1 4Å; Y492-H509 AromaticContact CD1-ND1 3.97Å; T494-H509 PolarHBondContact O-N 3.41Å; T494-H509 VanDerWaalsContact O-N 3.11Å; T494-H509 VanDerWaalsContact OG1-CA 3.26Å; T494-H509 WeakPolarHBondContact OG1-CA 3.42Å; T494-H509 PolarHBondContact OG1-ND1 2.87Å; T494-H509 VanDerWaalsContact OG1-ND1 3.08Å; H509-S511 VanDerWaalsContact C-N 3.33Å; H509-N533 WeakPolarHBondContact CB-OD1 3.43Å; H509-G625 WeakPolarHBondContact O-CA 3.36Å
510	Y	81.8	Confident	80.3	Confident	1 Å²	1	48.9 Å²	48.9	0%	0.004	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-8.9	175.1	-75.7	-82.2	0	0	0	113	W433 Y437 F440 F508 P512 R531 N533 G625 N675	W433-Y510 HydrophobicContact CH2-CD1 4.35Å; W433-Y510 HydrophobicContact CH2-CG 4.38Å; W433-Y510 HydrophobicContact CZ2-CD1 4.34Å; Y437-Y510 HydrophobicContact CE1-CE1 4.3Å; Y437-Y510 WeakPolarHBondContact OH-CE1 3.45Å; F440-Y510 HydrophobicContact CE2-CD1 4.3Å; F440-Y510 AromaticContact CE2-CD2 3.86Å; F440-Y510 HydrophobicContact CE2-CD2 3.86Å; F440-Y510 HydrophobicContact CE2-CE1 4.07Å; F440-Y510 AromaticContact CE2-CE2 3.69Å; F440-Y510 HydrophobicContact CE2-CE2 3.69Å; F440-Y510 HydrophobicContact CE2-CG 4.2Å; F440-Y510 AromaticContact CE2-CZ 3.77Å; F440-Y510 HydrophobicContact CZ-CD2 4.02Å; F440-Y510 HydrophobicContact CZ-CE1 4.36Å; F440-Y510 AromaticContact CZ-CE2 3.44Å; F440-Y510 HydrophobicContact CZ-CE2 3.44Å; F440-Y510 VanDerWaalsContact CZ-CE2 3.44Å; F440-Y510 AromaticContact CZ-CZ 3.62Å; F508-Y510 PolarHBondContact O-N 2.86Å; Y510-P512 WeakPolarHBondContact O-CD 3.22Å; Y510-R531 VanDerWaalsContact O-CB 3.25Å; Y510-R531 WeakPolarHBondContact O-CB 3.43Å; Y510-R531 WeakPolarHBondContact O-CD 3.46Å; Y510-N533 PolarHBondContact N-OD1 2.86Å; Y510-G625 WeakPolarHBondContact CE1-O 3.46Å; Y510-N675 VanDerWaalsContact OH-CB 3.28Å; Y510-N675 WeakPolarHBondContact OH-CB 3.38Å
511	S	87.1	Confident	81.3	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	100.2	-176.5	-66.7	0	0	0	0	112.1	F508 H509 T529 R531 N533	F508-S511 PolarHBondContact N-O 3.44Å; F508-S511 WeakPolarHBondContact O-CB 3.3Å; F508-S511 PolarHBondContact O-N 2.97Å; H509-S511 VanDerWaalsContact C-N 3.33Å; S511-T529 WeakPolarHBondContact CA-OG1 3.46Å; S511-T529 WeakPolarHBondContact CB-OG1 3.15Å; S511-R531 WeakPolarHBondContact CB-O 3.15Å; S511-R531 PolarHBondContact OG-O 3.3Å; S511-N533 PolarHBondContact N-OD1 2.59Å; S511-N533 VanDerWaalsContact OG-CG 3.23Å; S511-N533 PolarHBondContact OG-N 2.86Å; S511-N533 PolarHBondContact OG-ND2 2.73Å; S511-N533 PolarHBondContact OG-OD1 2.84Å
512	P	86.6	Confident	81.9	Confident	4 Å²	4	43.9 Å²	43.9	3%	0.026	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.3	137.5	175.1	28.9	-31.9	0	0	0	112	Q505 L506 Y510 T529 P530	Q505-P512 HydrophobicContact CG-CB 3.9Å; L506-P512 CarbonylContact O-C 3.28Å; L506-P512 WeakPolarHBondContact O-CA 3.41Å; Y510-P512 WeakPolarHBondContact O-CD 3.22Å; P512-T529 WeakPolarHBondContact O-CB 3.23Å; P512-T529 PolarHBondContact O-OG1 2.78Å; P512-P530 HydrophobicContact CG-CG 3.81Å; P512-P530 WeakPolarHBondContact O-CD 3.48Å
513	I	85.8	Confident	82.5	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	105.4	169.8	-56.9	170.2	0	0	0	106.7	V424 F475 L506 F508 L516 Y527	V424-I513 HydrophobicContact CG2-CD1 4.21Å; F475-I513 HydrophobicContact CE1-CD1 4.25Å; F475-I513 HydrophobicContact CZ-CD1 4.32Å; L506-I513 HydrophobicContact CB-CB 4.43Å; L506-I513 HydrophobicContact CD2-CD1 4.05Å; L506-I513 PolarHBondContact N-O 2.89Å; L506-I513 PolarHBondContact O-N 2.9Å; F508-I513 HydrophobicContact CB-CD1 4.46Å; I513-L516 HydrophobicContact CG2-CD2 4.38Å; I513-Y527 HydrophobicContact CD1-CD1 4.18Å; I513-Y527 HydrophobicContact CD1-CG 3.93Å; I513-Y527 HydrophobicContact CG2-CD1 3.68Å; I513-Y527 HydrophobicContact CG2-CG 4.27Å
514	N	83.1	Confident	83.2	Confident	79 Å²	79	35.2 Å²	35.2	42%	0.422	19%	0.186	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.6	134.6	-179.6	-62.2	-31.5	0	0	0	110	Q505 L516 E517	Q505-N514 PolarHBondContact NE2-OD1 3.4Å; N514-L516 PolarHBondContact O-N 2.04Å; N514-E517 PolarHBondContact O-N 2.83Å
515	N	77.9	Confident	83.9	Confident	76 Å²	76	32 Å²	32	41%	0.406	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	7.1	176.7	-61.5	-20.3	0	0	0	116	Y502 S504 E517	Y502-N515 PolarHBondContact O-OD1 2.79Å; S504-N515 WeakPolarHBondContact O-CA 3.41Å; S504-N515 PolarHBondContact O-N 3.31Å; N515-E517 HydrophobicContact CB-CG 4.02Å; N515-E517 PolarHBondContact O-N 2.85Å
516	L	77.6	Confident	84.5	Confident	44 Å²	44	30.3 Å²	30.3	23%	0.23	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	25.3	-170.2	-58.2	173.1	0	0	0	113.2	I472 F475 F497 L506 I513 N514 S518	I472-L516 HydrophobicContact CB-CD1 4.46Å; I472-L516 HydrophobicContact CD1-CD1 3.96Å; I472-L516 HydrophobicContact CG1-CD1 4.07Å; F475-L516 HydrophobicContact CE2-CD2 4.41Å; F497-L516 HydrophobicContact CE1-CD1 4.25Å; F497-L516 HydrophobicContact CE1-CD2 4.38Å; L506-L516 HydrophobicContact CB-CD2 3.45Å; L506-L516 VanDerWaalsContact CB-CD2 3.45Å; L506-L516 HydrophobicContact CD2-CD2 3.69Å; L506-L516 HydrophobicContact CG-CD2 4.23Å; I513-L516 HydrophobicContact CG2-CD2 4.38Å; N514-L516 PolarHBondContact O-N 2.04Å; L516-S518 PolarHBondContact O-N 2.82Å
517	E	82.7	Confident	85.1	Confident	127 Å²	127	30.6 Å²	30.6	59%	0.593	16%	0.157	S	C	*	.			trans	-64	130.4	176.5	-77	173.9	-157.2	0	0	110.1	N514 N515	N514-E517 PolarHBondContact O-N 2.83Å; N515-E517 HydrophobicContact CB-CG 4.02Å; N515-E517 PolarHBondContact O-N 2.85Å
518	S	87.2	Confident	85.8	Confident	46 Å²	46	31.6 Å²	31.6	32%	0.322	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.1	153.1	-177.6	61.1	0	0	0	0	112.4	L516 I526 Y527	L516-S518 PolarHBondContact O-N 2.82Å; S518-I526 CarbonylContact C-O 3.43Å; S518-I526 VanDerWaalsContact CA-O 3.27Å; S518-I526 WeakPolarHBondContact CA-O 3.45Å; S518-Y527 VanDerWaalsContact CB-CE1 3.47Å
519	F	88.9	Confident	86.5	Confident	53 Å²	53	31.4 Å²	31.4	23%	0.232	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109	111.9	168.3	-56.1	-80.8	0	0	0	108.4	I352 F353 L381 L399 L521 I526 V528	I352-F519 HydrophobicContact CD1-CE1 4.04Å; F353-F519 AromaticContact CE2-CD1 3.76Å; F353-F519 HydrophobicContact CE2-CD1 3.76Å; F353-F519 AromaticContact CE2-CE1 3.72Å; F353-F519 HydrophobicContact CE2-CE1 3.72Å; F353-F519 HydrophobicContact CZ-CD1 4.06Å; F353-F519 AromaticContact CZ-CE1 3.78Å; F353-F519 HydrophobicContact CZ-CE1 3.78Å; F353-F519 HydrophobicContact CZ-CZ 4.22Å; L381-F519 HydrophobicContact CD1-CB 4.26Å; L381-F519 HydrophobicContact CD1-CD1 3.6Å; L381-F519 HydrophobicContact CD1-CE1 4.46Å; L381-F519 HydrophobicContact CD1-CG 4.37Å; L399-F519 HydrophobicContact CD2-CD2 3.74Å; L399-F519 HydrophobicContact CD2-CE1 4.44Å; L399-F519 HydrophobicContact CD2-CE2 3.47Å; L399-F519 VanDerWaalsContact CD2-CE2 3.47Å; L399-F519 HydrophobicContact CD2-CG 4.34Å; L399-F519 HydrophobicContact CD2-CZ 3.85Å; F519-L521 HydrophobicContact CB-CD1 4.29Å; F519-I526 HydrophobicContact CB-CB 4.29Å; F519-I526 PolarHBondContact N-O 2.82Å; F519-I526 PolarHBondContact O-N 2.9Å; F519-V528 HydrophobicContact CD2-CG2 4.09Å; F519-V528 HydrophobicContact CE2-CG2 3.72Å
520	E	88.9	Confident	87.2	Confident	94 Å²	94	33.3 Å²	33.3	44%	0.439	18%	0.175	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	112.9	176.9	-62.2	-169.2	165.4	0	0	109.3	L381 S382 N470 T525	L381-E520 CarbonylContact C-O 3.57Å; S382-E520 WeakPolarHBondContact CA-O 3.4Å; S382-E520 PolarHBondContact N-O 2.94Å; N470-E520 PolarHBondContact ND2-OE1 2.88Å; E520-T525 HydrophobicContact CG-CG2 4.41Å
521	L	89.9	Confident	87.6	Confident	3 Å²	3	36 Å²	36	2%	0.016	19%	0.185	C	C	.	.			trans	-93.7	175.8	171.1	-88.8	70.8	0	0	0	110.4	I384 L389 R468 F519 D523 V524 I526	I384-L521 HydrophobicContact CG2-CD2 4.34Å; I384-L521 VanDerWaalsContact O-CB 3.26Å; I384-L521 WeakPolarHBondContact O-CB 3.39Å; I384-L521 WeakPolarHBondContact O-CG 3.04Å; L389-L521 HydrophobicContact CB-CD2 3.84Å; L389-L521 HydrophobicContact CD1-CD1 4.1Å; L389-L521 HydrophobicContact CD1-CD2 3.61Å; L389-L521 HydrophobicContact CD1-CG 4.45Å; L389-L521 HydrophobicContact CG-CD2 4.34Å; R468-L521 PolarHBondContact NH1-O 3.35Å; F519-L521 HydrophobicContact CB-CD1 4.29Å; L521-D523 VanDerWaalsContact C-N 3.3Å; L521-D523 PolarHBondContact O-N 3.35Å; L521-V524 WeakPolarHBondContact CA-O 3.25Å; L521-V524 HydrophobicContact CB-CG2 3.92Å; L521-V524 WeakPolarHBondContact CB-O 3.08Å; L521-V524 HydrophobicContact CD2-CG2 4.12Å; L521-V524 PolarHBondContact N-O 2.68Å; L521-I526 HydrophobicContact CD1-CD1 3.9Å; L521-I526 HydrophobicContact CD1-CG1 4.38Å; L521-I526 HydrophobicContact CD2-CD1 4.17Å
522	D	86.1	Confident	87.8	Confident	47 Å²	47	36 Å²	36	25%	0.251	19%	0.185	S	C	.	.	S	Bend	trans	-60.6	-39.1	-179.1	-166.2	63.9	0	0	0	112.2	R302 S382 I384 T385 R468	R302-D522 IonicContact CZ-OD1 2.81Å; R302-D522 IonicContact NH2-OD1 3.32Å; R302-D522 PolarHBondContact NH2-OD1 3.21Å; S382-D522 WeakPolarHBondContact O-CA 3.25Å; I384-D522 PolarHBondContact O-N 2.99Å; T385-D522 HydrophobicContact CG2-CB 4.45Å; R468-D522 PolarHBondContact NH1-O 3.02Å; R468-D522 PolarHBondContact NH2-O 2.94Å
523	D	85.7	Confident	87.9	Confident	51 Å²	51	35.8 Å²	35.8	27%	0.273	18%	0.184	S	C	.	.	S	Bend	trans	-113.5	-24.8	-175	54.2	-6.8	0	0	0	114.5	F386 R468 L521	F386-D523 PolarHBondContact N-OD1 3.47Å; F386-D523 PolarHBondContact N-OD2 3.45Å; R468-D523 VanDerWaalsContact CZ-C 3.47Å; R468-D523 PolarHBondContact NE-O 3.07Å; R468-D523 PolarHBondContact NH2-O 3.41Å; L521-D523 VanDerWaalsContact C-N 3.3Å; L521-D523 PolarHBondContact O-N 3.35Å
524	V	89.6	Confident	88	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.4	159.2	-174.2	-52.6	0	0	0	0	113.5	F386 M415 Y421 I423 L521 I526	F386-V524 HydrophobicContact CB-CG1 3.87Å; F386-V524 HydrophobicContact CB-CG2 3.79Å; F386-V524 HydrophobicContact CD2-CG2 4.06Å; F386-V524 HydrophobicContact CG-CG1 4.27Å; F386-V524 HydrophobicContact CG-CG2 4.22Å; M415-V524 HydrophobicContact CE-CG1 4.11Å; M415-V524 HydrophobicContact SD-CG1 3.78Å; Y421-V524 WeakPolarHBondContact O-CA 3.46Å; I423-V524 HydrophobicContact CD1-CB 4.29Å; I423-V524 HydrophobicContact CD1-CG1 4.39Å; I423-V524 HydrophobicContact CD1-CG2 4.11Å; L521-V524 WeakPolarHBondContact CA-O 3.25Å; L521-V524 HydrophobicContact CB-CG2 3.92Å; L521-V524 WeakPolarHBondContact CB-O 3.08Å; L521-V524 HydrophobicContact CD2-CG2 4.12Å; L521-V524 PolarHBondContact N-O 2.68Å; V524-I526 HydrophobicContact CG2-CD1 4.46Å; V524-I526 HydrophobicContact CG2-CG1 4.11Å
525	T	90.7	Very high	88.3	Confident	0 Å²	0	32 Å²	32	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	131.8	165.4	-59.9	0	0	0	0	109.6	Y421 A422 I423 R468 N470 E520 Y527	Y421-T525 PolarHBondContact O-N 3.31Å; A422-T525 CarbonylContact C-O 3.58Å; A422-T525 WeakPolarHBondContact CA-O 3.45Å; I423-T525 PolarHBondContact N-O 2.78Å; R468-T525 WeakPolarHBondContact CB-OG1 3.44Å; R468-T525 VanDerWaalsContact CD-OG1 3.28Å; R468-T525 WeakPolarHBondContact CD-OG1 3.34Å; N470-T525 PolarHBondContact OD1-OG1 2.85Å; E520-T525 HydrophobicContact CG-CG2 4.41Å; T525-Y527 HydrophobicContact CG2-CD2 4.25Å; T525-Y527 HydrophobicContact CG2-CE2 3.53Å
526	I	92.2	Very high	88.7	Confident	1 Å²	1	29 Å²	29	1%	0.005	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	127.4	-178.9	-60.8	177.6	0	0	0	110.1	L389 I423 L425 S518 F519 L521 V524 V528	L389-I526 HydrophobicContact CD1-CD1 3.43Å; L389-I526 VanDerWaalsContact CD1-CD1 3.43Å; L389-I526 HydrophobicContact CD2-CD1 4.02Å; L389-I526 HydrophobicContact CG-CD1 4.36Å; I423-I526 HydrophobicContact CB-CG1 4.48Å; L425-I526 HydrophobicContact CB-CG2 3.69Å; L425-I526 HydrophobicContact CD2-CG2 3.76Å; L425-I526 HydrophobicContact CG-CG2 4.39Å; S518-I526 CarbonylContact C-O 3.43Å; S518-I526 VanDerWaalsContact CA-O 3.27Å; S518-I526 WeakPolarHBondContact CA-O 3.45Å; F519-I526 HydrophobicContact CB-CB 4.29Å; F519-I526 PolarHBondContact N-O 2.82Å; F519-I526 PolarHBondContact O-N 2.9Å; L521-I526 HydrophobicContact CD1-CD1 3.9Å; L521-I526 HydrophobicContact CD1-CG1 4.38Å; L521-I526 HydrophobicContact CD2-CD1 4.17Å; V524-I526 HydrophobicContact CG2-CD1 4.46Å; V524-I526 HydrophobicContact CG2-CG1 4.11Å; I526-V528 HydrophobicContact CG2-CG2 4.25Å
527	Y	91.3	Very high	89.1	Confident	5 Å²	5	29.2 Å²	29.2	2%	0.02	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	116	171.5	-64	-84.9	0	0	0	109	A422 I423 V424 L425 L469 F475 I513 S518 T525	A422-Y527 HydrophobicContact CB-CE2 4.33Å; I423-Y527 PolarHBondContact O-N 3.42Å; V424-Y527 CarbonylContact C-O 3.49Å; V424-Y527 WeakPolarHBondContact CA-O 3.45Å; L425-Y527 PolarHBondContact N-O 2.98Å; L469-Y527 HydrophobicContact CB-CE2 4.33Å; L469-Y527 PolarHBondContact O-OH 3.07Å; F475-Y527 HydrophobicContact CE2-CE1 4.22Å; F475-Y527 HydrophobicContact CZ-CD1 4.44Å; F475-Y527 HydrophobicContact CZ-CD2 4.33Å; F475-Y527 AromaticContact CZ-CE1 3.95Å; F475-Y527 HydrophobicContact CZ-CE1 3.95Å; F475-Y527 AromaticContact CZ-CE2 3.87Å; F475-Y527 HydrophobicContact CZ-CE2 3.87Å; F475-Y527 AromaticContact CZ-CZ 3.67Å; I513-Y527 HydrophobicContact CD1-CD1 4.18Å; I513-Y527 HydrophobicContact CD1-CG 3.93Å; I513-Y527 HydrophobicContact CG2-CD1 3.68Å; I513-Y527 HydrophobicContact CG2-CG 4.27Å; S518-Y527 VanDerWaalsContact CB-CE1 3.47Å; T525-Y527 HydrophobicContact CG2-CD2 4.25Å; T525-Y527 HydrophobicContact CG2-CE2 3.53Å
528	V	93.1	Very high	89.5	Confident	28 Å²	28	27.8 Å²	27.8	17%	0.17	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	132.3	-177.1	-179.8	0	0	0	0	110.4	L399 L425 Q427 F519 I526	L399-V528 HydrophobicContact CD2-CG2 4.05Å; L425-V528 WeakPolarHBondContact O-CA 3.43Å; Q427-V528 HydrophobicContact CG-CG1 3.23Å; F519-V528 HydrophobicContact CD2-CG2 4.09Å; F519-V528 HydrophobicContact CE2-CG2 3.72Å; I526-V528 HydrophobicContact CG2-CG2 4.25Å
529	T	92.5	Very high	89.7	Confident	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	143.3	179.6	172.1	0	0	0	0	111.5	V424 L425 P426 Q427 S430 S511 P512 R531	V424-T529 HydrophobicContact CG1-CG2 3.48Å; V424-T529 VanDerWaalsContact CG1-CG2 3.48Å; L425-T529 PolarHBondContact O-N 3.45Å; P426-T529 WeakPolarHBondContact CA-O 3.39Å; P426-T529 HydrophobicContact CB-CG2 4.25Å; P426-T529 HydrophobicContact CG-CG2 4.2Å; Q427-T529 WeakPolarHBondContact CG-O 3.05Å; Q427-T529 PolarHBondContact N-O 3.4Å; S430-T529 PolarHBondContact OG-O 2.76Å; S511-T529 WeakPolarHBondContact CA-OG1 3.46Å; S511-T529 WeakPolarHBondContact CB-OG1 3.15Å; P512-T529 WeakPolarHBondContact O-CB 3.23Å; P512-T529 PolarHBondContact O-OG1 2.78Å; T529-R531 WeakPolarHBondContact CG2-O 3.38Å; T529-R531 PolarHBondContact O-N 2.9Å; T529-R531 PolarHBondContact OG1-N 2.91Å; T529-R531 VanDerWaalsContact OG1-N 3.12Å; T529-R531 PolarHBondContact OG1-O 3.47Å
530	P	92.3	Very high	89.9	Confident	40 Å²	40	26 Å²	26	26%	0.26	13%	0.131	S	C	.	.	S	Bend	trans	-82.1	2.7	172.7	35.5	-36.9	0	0	0	113.7	S430 P512	S430-P530 WeakPolarHBondContact CA-O 3.4Å; S430-P530 PolarHBondContact OG-O 2.74Å; P512-P530 HydrophobicContact CG-CG 3.81Å; P512-P530 WeakPolarHBondContact O-CD 3.48Å
531	R	91.2	Very high	90.2	Very high	58 Å²	58	22.8 Å²	22.8	22%	0.219	12%	0.117	C	C	.	.	S	Bend	trans	-138.5	149.1	-179.2	-61.6	176.6	-175.7	176.3	-8.8	111.9	S430 W433 Y510 S511 T529 D626	S430-R531 PolarHBondContact OG-N 3.11Å; W433-R531 HydrophobicContact CD2-CB 4.19Å; W433-R531 HydrophobicContact CD2-CG 3.84Å; W433-R531 HydrophobicContact CE3-CB 4.05Å; W433-R531 HydrophobicContact CE3-CG 4.22Å; W433-R531 HydrophobicContact CG-CG 4.12Å; W433-R531 HydrophobicContact CH2-CB 4.47Å; W433-R531 HydrophobicContact CZ2-CG 4.42Å; W433-R531 HydrophobicContact CZ3-CB 4.21Å; Y510-R531 VanDerWaalsContact O-CB 3.25Å; Y510-R531 WeakPolarHBondContact O-CB 3.43Å; Y510-R531 WeakPolarHBondContact O-CD 3.46Å; S511-R531 WeakPolarHBondContact CB-O 3.15Å; S511-R531 PolarHBondContact OG-O 3.3Å; T529-R531 WeakPolarHBondContact CG2-O 3.38Å; T529-R531 PolarHBondContact O-N 2.9Å; T529-R531 PolarHBondContact OG1-N 2.91Å; T529-R531 VanDerWaalsContact OG1-N 3.12Å; T529-R531 PolarHBondContact OG1-O 3.47Å; R531-D626 IonicContact CZ-OD2 2.85Å; R531-D626 VanDerWaalsContact NH1-CG 3.29Å; R531-D626 IonicContact NH1-OD1 3.63Å; R531-D626 IonicContact NH1-OD2 3.54Å; R531-D626 PolarHBondContact NH1-OD2 2.93Å; R531-D626 IonicContact NH2-OD2 3.38Å; R531-D626 PolarHBondContact NH2-OD2 3.11Å
532	I	91.1	Very high	90.4	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	13%	0.133	C	C	.	.			trans	-99.4	137.4	-179.2	-168.8	162.3	0	0	0	110.3	F404 P426 M431 W433 W434 V457 H461	F404-I532 HydrophobicContact CD2-CD1 4.16Å; F404-I532 HydrophobicContact CE2-CD1 3.82Å; F404-I532 HydrophobicContact CE2-CG1 4.42Å; P426-I532 HydrophobicContact CB-CB 4.29Å; P426-I532 HydrophobicContact CB-CG1 4.48Å; P426-I532 HydrophobicContact CG-CB 4.31Å; P426-I532 HydrophobicContact CG-CD1 4.49Å; P426-I532 HydrophobicContact CG-CG1 4.1Å; M431-I532 HydrophobicContact CE-CD1 3.81Å; M431-I532 HydrophobicContact SD-CD1 3.83Å; W433-I532 HydrophobicContact CE3-CG2 4.05Å; W433-I532 HydrophobicContact CZ3-CG2 3.81Å; W433-I532 VanDerWaalsContact CZ3-O 3.29Å; W433-I532 WeakPolarHBondContact CZ3-O 3.41Å; W434-I532 HydrophobicContact CB-CG2 3.68Å; W434-I532 HydrophobicContact CD2-CG2 3.66Å; W434-I532 HydrophobicContact CE3-CD1 3.75Å; W434-I532 HydrophobicContact CE3-CG1 4.39Å; W434-I532 HydrophobicContact CE3-CG2 3.56Å; W434-I532 HydrophobicContact CG-CG2 3.75Å; W434-I532 HydrophobicContact CZ3-CD1 3.61Å; W434-I532 HydrophobicContact CZ3-CG1 4.4Å; W434-I532 HydrophobicContact CZ3-CG2 4.33Å; V457-I532 HydrophobicContact CG1-CD1 3.87Å; V457-I532 HydrophobicContact CG1-CG1 4.17Å; H461-I532 VanDerWaalsContact CE1-CG1 3.41Å; H461-I532 WeakPolarHBondContact CE1-CG1 3.45Å
533	N	88.5	Confident	90.8	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.126	C	C	.	.			trans	-79.9	135.3	170.9	-80.2	-32.7	0	0	0	110.9	Y460 H461 F508 H509 Y510 S511	Y460-N533 HydrophobicContact CD1-CB 3.76Å; Y460-N533 HydrophobicContact CE1-CB 3.89Å; H461-N533 PolarHBondContact CE1-N 3.25Å; H461-N533 PolarHBondContact CE1-O 3.28Å; H461-N533 VanDerWaalsContact CE1-O 3.26Å; H461-N533 PolarHBondContact NE2-N 3.48Å; F508-N533 WeakPolarHBondContact CD1-ND2 3.42Å; F508-N533 PolarHBondContact O-ND2 2.92Å; F508-N533 PolarHBondContact O-OD1 3.45Å; H509-N533 WeakPolarHBondContact CB-OD1 3.43Å; Y510-N533 PolarHBondContact N-OD1 2.86Å; S511-N533 PolarHBondContact N-OD1 2.59Å; S511-N533 VanDerWaalsContact OG-CG 3.23Å; S511-N533 PolarHBondContact OG-N 2.86Å; S511-N533 PolarHBondContact OG-ND2 2.73Å; S511-N533 PolarHBondContact OG-OD1 2.84Å
534	V	88.6	Confident	91.3	Very high	0 Å²	0	22 Å²	22	0%	0	11%	0.113	C	C	.	.			trans	-105.9	117	178.2	-176.1	0	0	0	0	108	W434 F440 Q443 H677	W434-V534 HydrophobicContact CD2-CG2 4.41Å; W434-V534 HydrophobicContact CZ2-CG1 4.23Å; W434-V534 HydrophobicContact CZ2-CG2 3.81Å; F440-V534 HydrophobicContact CB-CG2 4.08Å; F440-V534 HydrophobicContact CD1-CB 4.27Å; F440-V534 HydrophobicContact CD1-CG1 4.16Å; F440-V534 HydrophobicContact CD1-CG2 4.37Å; F440-V534 HydrophobicContact CD2-CB 4.28Å; F440-V534 HydrophobicContact CD2-CG2 3.7Å; F440-V534 HydrophobicContact CE1-CB 4.48Å; F440-V534 HydrophobicContact CE2-CB 4.46Å; F440-V534 HydrophobicContact CE2-CG2 4.22Å; F440-V534 HydrophobicContact CG-CB 4.2Å; F440-V534 HydrophobicContact CG-CG1 4.32Å; F440-V534 HydrophobicContact CG-CG2 3.8Å; Q443-V534 HydrophobicContact CB-CG1 3.81Å; Q443-V534 HydrophobicContact CG-CG1 3.77Å; V534-H677 PolarHBondContact O-CD2 2.96Å; V534-H677 PolarHBondContact O-NE2 3Å
535	P	87.7	Confident	91.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	14%	0.14	C	C	.	.			trans	-65.5	150	179.1	26.9	-32.7	0	0	0	110.9	Y453 R456 V457 Y460 H677	Y453-P535 HydrophobicContact CE2-CG 4.26Å; R456-P535 HydrophobicContact CG-CG 4.48Å; V457-P535 HydrophobicContact CG2-CG 3.87Å; Y460-P535 HydrophobicContact CD2-CB 3.94Å; Y460-P535 HydrophobicContact CE2-CB 4.28Å; Y460-P535 HydrophobicContact CG-CB 4.15Å; P535-H677 PolarHBondContact O-NE2 3.28Å; P535-H677 VanDerWaalsContact O-NE2 3.16Å
536	P	87	Confident	91.8	Very high	12 Å²	12	32.9 Å²	32.9	8%	0.078	17%	0.165	C	C	.	.			trans	-71.4	140.4	173.5	27.3	-31.5	0	0	0	111.7	R456 H677	R456-P536 PolarHBondContact NH1-O 3.09Å; R456-P536 PolarHBondContact NH2-O 2.79Å; P536-H677 VanDerWaalsContact CA-CD2 3.44Å; P536-H677 WeakPolarHBondContact CA-CD2 3.44Å; P536-H677 WeakPolarHBondContact CA-NE2 3.43Å
537	D	86.2	Confident	91.9	Very high	48 Å²	48	35.5 Å²	35.5	26%	0.257	18%	0.175	S	C	.	.			trans	-93.8	-20.9	176.3	-74.3	-46.4	0	0	0	113.2	R446 R456	R446-D537 IonicContact NH1-OD1 2.77Å; R446-D537 PolarHBondContact NH1-OD1 3.49Å; R456-D537 IonicContact NH1-OD1 3.69Å; R456-D537 PolarHBondContact NH1-OD1 2.93Å
538	F	90	Very high	92.1	Very high	98 Å²	98	40.7 Å²	40.7	43%	0.43	21%	0.209	S	C	.	.	S	Bend	trans	-140.7	155.9	-165.8	-62.3	-60.8	0	0	0	111	D542 I543 A678 G679	F538-D542 HydrophobicContact CB-CB 3.8Å; F538-D542 HydrophobicContact CD1-CB 4.1Å; F538-D542 HydrophobicContact CG-CB 4.25Å; F538-I543 HydrophobicContact CB-CG1 3.87Å; F538-A678 CarbonylContact O-C 3.58Å; F538-A678 WeakPolarHBondContact O-CA 3.02Å; F538-A678 VanDerWaalsContact O-CB 3.31Å; F538-A678 WeakPolarHBondContact O-CB 3.34Å; F538-G679 PolarHBondContact O-N 3.15Å
539	N	91.6	Very high	92.3	Very high	62 Å²	62	41.7 Å²	41.7	33%	0.332	21%	0.214	S	C	.	.			trans	-80.6	165.8	164.5	-71.2	-20.3	0	0	0	110.6	T541 D542 I543 D680	N539-T541 PolarHBondContact O-N 3.39Å; N539-D542 WeakPolarHBondContact O-CB 3.29Å; N539-D542 PolarHBondContact O-N 2.84Å; N539-I543 PolarHBondContact O-N 3.06Å; N539-D680 VanDerWaalsContact CA-OD1 3.26Å; N539-D680 WeakPolarHBondContact CA-OD1 3.18Å
540	M	93	Very high	92.5	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-55.1	-42.1	-175.8	-75.7	-171.8	-71.2	0	0	111.6	D542 I543 L544 F567 N574 A678 D680 I683	M540-D542 VanDerWaalsContact C-N 3.34Å; M540-D542 PolarHBondContact O-N 2.97Å; M540-I543 WeakPolarHBondContact O-CB 3.18Å; M540-I543 PolarHBondContact O-N 3.09Å; M540-L544 WeakPolarHBondContact O-CG 3.36Å; M540-L544 PolarHBondContact O-N 3.38Å; M540-F567 HydrophobicContact CB-CD2 4.46Å; M540-F567 HydrophobicContact CB-CE2 4.36Å; M540-F567 HydrophobicContact CE-CB 3.73Å; M540-F567 HydrophobicContact CE-CD1 3.35Å; M540-F567 HydrophobicContact CE-CD2 3.61Å; M540-F567 HydrophobicContact CE-CE1 3.74Å; M540-F567 HydrophobicContact CE-CE2 3.97Å; M540-F567 HydrophobicContact CE-CG 3.29Å; M540-F567 HydrophobicContact CE-CZ 4.03Å; M540-N574 HydrophobicContact CE-CB 3.48Å; M540-N574 VanDerWaalsContact CE-CB 3.48Å; M540-N574 HydrophobicContact SD-CB 4.12Å; M540-A678 HydrophobicContact CB-CB 4.34Å; M540-A678 HydrophobicContact CG-CB 3.64Å; M540-D680 WeakPolarHBondContact CG-OD1 3.48Å; M540-D680 PolarHBondContact N-OD1 3.21Å; M540-I683 HydrophobicContact CB-CD1 3.82Å; M540-I683 HydrophobicContact CB-CG1 4.17Å; M540-I683 HydrophobicContact CG-CD1 4Å; M540-I683 HydrophobicContact CG-CG1 3.89Å; M540-I683 WeakPolarHBondContact O-CD1 3.02Å; M540-I683 HydrophobicContact SD-CG1 4.13Å
541	T	95.3	Very high	92.7	Very high	25 Å²	25	42.9 Å²	42.9	15%	0.153	22%	0.22	C	C	.	.	H	α-helix	trans	-62.6	-39.3	178.5	-50.8	0	0	0	0	112.3	N539 L544 K545 E558	N539-T541 PolarHBondContact O-N 3.39Å; T541-L544 PolarHBondContact O-N 3.39Å; T541-K545 WeakPolarHBondContact O-CB 3.42Å; T541-K545 PolarHBondContact O-N 3.24Å; T541-E558 HydrophobicContact CG2-CG 4.46Å
542	D	95	Very high	93	Very high	64 Å²	64	41 Å²	41	34%	0.342	22%	0.215	S	C	.	.	H	α-helix	trans	-69.8	-36.4	176.8	-69.9	-46.3	0	0	0	112	F538 N539 M540 K545 N546	F538-D542 HydrophobicContact CB-CB 3.8Å; F538-D542 HydrophobicContact CD1-CB 4.1Å; F538-D542 HydrophobicContact CG-CB 4.25Å; N539-D542 WeakPolarHBondContact O-CB 3.29Å; N539-D542 PolarHBondContact O-N 2.84Å; M540-D542 VanDerWaalsContact C-N 3.34Å; M540-D542 PolarHBondContact O-N 2.97Å; D542-K545 PolarHBondContact O-N 3.43Å; D542-N546 WeakPolarHBondContact O-CB 3.37Å; D542-N546 VanDerWaalsContact O-CG 3.31Å; D542-N546 PolarHBondContact O-N 3.18Å; D542-N546 PolarHBondContact O-ND2 3.2Å
543	I	94.4	Very high	93.2	Very high	21 Å²	21	41.2 Å²	41.2	11%	0.108	22%	0.216	C	C	.	.	H	α-helix	trans	-59.7	-48.3	172.4	-65.7	177.5	0	0	0	109.8	F538 N539 M540 K545 N546 R547 L676 H677 A678 I683	F538-I543 HydrophobicContact CB-CG1 3.87Å; N539-I543 PolarHBondContact O-N 3.06Å; M540-I543 WeakPolarHBondContact O-CB 3.18Å; M540-I543 PolarHBondContact O-N 3.09Å; I543-K545 VanDerWaalsContact C-N 3.31Å; I543-K545 PolarHBondContact O-N 3.42Å; I543-N546 PolarHBondContact O-N 3.29Å; I543-R547 WeakPolarHBondContact O-CB 3.42Å; I543-R547 VanDerWaalsContact O-CG 3.28Å; I543-R547 WeakPolarHBondContact O-CG 3.45Å; I543-R547 PolarHBondContact O-N 3.36Å; I543-L676 HydrophobicContact CG2-CB 4.49Å; I543-L676 HydrophobicContact CG2-CD1 4.13Å; I543-H677 WeakPolarHBondContact CD1-O 3.46Å; I543-A678 HydrophobicContact CD1-CB 3.55Å; I543-I683 HydrophobicContact CB-CD1 3.98Å; I543-I683 HydrophobicContact CG2-CD1 3.92Å
544	L	96.9	Very high	93.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	23%	0.226	C	C	.	.	H	α-helix	trans	-62.4	-38.3	177.8	-65.1	-179.8	0	0	0	112.4	M540 T541 N546 R547 T550 K554 T557 Y576 V578 I683	M540-L544 WeakPolarHBondContact O-CG 3.36Å; M540-L544 PolarHBondContact O-N 3.38Å; T541-L544 PolarHBondContact O-N 3.39Å; L544-N546 VanDerWaalsContact C-N 3.34Å; L544-N546 PolarHBondContact O-N 3.33Å; L544-R547 PolarHBondContact O-N 2.89Å; L544-T550 HydrophobicContact CD2-CG2 4.16Å; L544-T550 PolarHBondContact O-OG1 3.38Å; L544-T550 VanDerWaalsContact O-OG1 3.09Å; L544-K554 HydrophobicContact CB-CB 4.09Å; L544-K554 HydrophobicContact CB-CG 4.38Å; L544-T557 HydrophobicContact CD1-CG2 4.4Å; L544-Y576 HydrophobicContact CD1-CD1 4.32Å; L544-Y576 HydrophobicContact CD1-CE1 3.8Å; L544-V578 HydrophobicContact CD1-CG2 4.49Å; L544-V578 HydrophobicContact CD2-CB 4.43Å; L544-V578 HydrophobicContact CD2-CG1 3.78Å; L544-V578 HydrophobicContact CD2-CG2 4.08Å; L544-I683 HydrophobicContact CD2-CD1 3.98Å; L544-I683 HydrophobicContact CG-CD1 3.97Å
545	K	95.5	Very high	94	Very high	129 Å²	129	47.8 Å²	47.8	56%	0.561	25%	0.249	S	C	*	.	H	α-helix	trans	-63.5	-38.5	176.7	179.3	-179.9	175.6	-176.2	0	112.6	T541 D542 I543 R547	T541-K545 WeakPolarHBondContact O-CB 3.42Å; T541-K545 PolarHBondContact O-N 3.24Å; D542-K545 PolarHBondContact O-N 3.43Å; I543-K545 VanDerWaalsContact C-N 3.31Å; I543-K545 PolarHBondContact O-N 3.42Å; K545-R547 PolarHBondContact O-N 3.01Å
546	N	93.9	Very high	94.4	Very high	99 Å²	99	48.6 Å²	48.6	53%	0.529	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.2	1.2	-178.6	-68.5	-24.9	0	0	0	113.3	D542 I543 L544	D542-N546 WeakPolarHBondContact O-CB 3.37Å; D542-N546 VanDerWaalsContact O-CG 3.31Å; D542-N546 PolarHBondContact O-N 3.18Å; D542-N546 PolarHBondContact O-ND2 3.2Å; I543-N546 PolarHBondContact O-N 3.29Å; L544-N546 VanDerWaalsContact C-N 3.34Å; L544-N546 PolarHBondContact O-N 3.33Å
547	R	94.1	Very high	94.9	Very high	55 Å²	55	48.1 Å²	48.1	21%	0.208	25%	0.249	C	C	.	.			trans	-113	112	-176.1	-80.2	-164.9	76.4	105.6	-2.1	112	I543 L544 K545 D549 T550 L685	I543-R547 WeakPolarHBondContact O-CB 3.42Å; I543-R547 VanDerWaalsContact O-CG 3.28Å; I543-R547 WeakPolarHBondContact O-CG 3.45Å; I543-R547 PolarHBondContact O-N 3.36Å; L544-R547 PolarHBondContact O-N 2.89Å; K545-R547 PolarHBondContact O-N 3.01Å; R547-D549 WeakPolarHBondContact CB-OD1 3.36Å; R547-D549 IonicContact CZ-OD1 3.7Å; R547-D549 IonicContact CZ-OD2 2.89Å; R547-D549 IonicContact NE-OD1 3.39Å; R547-D549 PolarHBondContact NE-OD1 3.49Å; R547-D549 IonicContact NE-OD2 2.71Å; R547-D549 IonicContact NH2-OD1 2.79Å; R547-D549 PolarHBondContact NH2-OD1 3.1Å; R547-D549 IonicContact NH2-OD2 2.85Å; R547-D549 PolarHBondContact NH2-OD2 2.78Å; R547-D549 PolarHBondContact O-N 3.15Å; R547-T550 HydrophobicContact CB-CG2 4.35Å; R547-T550 WeakPolarHBondContact CB-OG1 3.46Å; R547-T550 PolarHBondContact O-N 3.3Å; R547-T550 PolarHBondContact O-OG1 3.28Å; R547-T550 VanDerWaalsContact O-OG1 3.11Å; R547-L685 VanDerWaalsContact NH2-CD1 3.25Å
548	P	95.9	Very high	95.4	Very high	114 Å²	114	50 Å²	50	74%	0.74	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-11.5	-178.2	29.5	-35.5	0	0	0	113.7
549	D	96.8	Very high	95.7	Very high	50 Å²	50	51.3 Å²	51.3	27%	0.267	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.6	4.9	177.4	64.5	-39.2	0	0	0	113.7	R547 T580 D581	R547-D549 WeakPolarHBondContact CB-OD1 3.36Å; R547-D549 IonicContact CZ-OD1 3.7Å; R547-D549 IonicContact CZ-OD2 2.89Å; R547-D549 IonicContact NE-OD1 3.39Å; R547-D549 PolarHBondContact NE-OD1 3.49Å; R547-D549 IonicContact NE-OD2 2.71Å; R547-D549 IonicContact NH2-OD1 2.79Å; R547-D549 PolarHBondContact NH2-OD1 3.1Å; R547-D549 IonicContact NH2-OD2 2.85Å; R547-D549 PolarHBondContact NH2-OD2 2.78Å; R547-D549 PolarHBondContact O-N 3.15Å; D549-T580 CarbonylContact O-C 3.51Å; D549-T580 WeakPolarHBondContact O-CA 3.19Å; D549-D581 PolarHBondContact O-N 3.41Å
550	T	97.3	Very high	95.8	Very high	0 Å²	0	48.7 Å²	48.7	0%	0	25%	0.25	C	C	.	.			trans	-129.7	26.6	-177	58	0	0	0	0	113.4	L544 R547 I552 A553 K554 V578 D581 L685	L544-T550 HydrophobicContact CD2-CG2 4.16Å; L544-T550 PolarHBondContact O-OG1 3.38Å; L544-T550 VanDerWaalsContact O-OG1 3.09Å; R547-T550 HydrophobicContact CB-CG2 4.35Å; R547-T550 WeakPolarHBondContact CB-OG1 3.46Å; R547-T550 PolarHBondContact O-N 3.3Å; R547-T550 PolarHBondContact O-OG1 3.28Å; R547-T550 VanDerWaalsContact O-OG1 3.11Å; T550-I552 VanDerWaalsContact C-N 3.33Å; T550-I552 PolarHBondContact O-N 2.95Å; T550-A553 PolarHBondContact O-N 3.46Å; T550-K554 VanDerWaalsContact O-CB 3.28Å; T550-K554 WeakPolarHBondContact O-CB 3.11Å; T550-K554 PolarHBondContact O-N 3.3Å; T550-V578 HydrophobicContact CG2-CG1 4.02Å; T550-D581 PolarHBondContact N-OD2 2.83Å; T550-L685 HydrophobicContact CG2-CD2 3.97Å
551	T	97.5	Very high	95.9	Very high	64 Å²	64	54.8 Å²	54.8	39%	0.393	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-37.5	-174.6	62.7	0	0	0	0	113.1	N555 D581	T551-N555 VanDerWaalsContact O-CG 3.32Å; T551-N555 PolarHBondContact O-N 3.26Å; T551-N555 VanDerWaalsContact O-N 3.12Å; T551-N555 PolarHBondContact O-ND2 2.9Å; T551-D581 WeakPolarHBondContact CB-OD2 3.45Å; T551-D581 VanDerWaalsContact N-CG 3.32Å; T551-D581 PolarHBondContact N-OD1 3.03Å; T551-D581 PolarHBondContact N-OD2 3.36Å; T551-D581 VanDerWaalsContact OG1-CG 3.28Å; T551-D581 PolarHBondContact OG1-OD1 2.87Å; T551-D581 PolarHBondContact OG1-OD2 2.7Å
552	I	95.8	Very high	96	Very high	20 Å²	20	53.6 Å²	53.6	10%	0.103	27%	0.269	C	S	.	.	H	α-helix	trans	-65.8	-52.4	177.3	-64.8	173.4	0	0	0	109.7	T550 K554 N555 Q556 D581 W584 Y597 L601	T550-I552 VanDerWaalsContact C-N 3.33Å; T550-I552 PolarHBondContact O-N 2.95Å; I552-K554 VanDerWaalsContact C-N 3.3Å; I552-K554 PolarHBondContact O-N 3.17Å; I552-N555 PolarHBondContact O-N 3.07Å; I552-Q556 HydrophobicContact CG2-CG 4.38Å; I552-Q556 WeakPolarHBondContact O-CB 3.27Å; I552-Q556 WeakPolarHBondContact O-CG 3.47Å; I552-Q556 PolarHBondContact O-N 3.09Å; I552-D581 WeakPolarHBondContact CB-OD1 3.29Å; I552-D581 HydrophobicContact CD1-CB 4.39Å; I552-D581 WeakPolarHBondContact CG1-OD1 3.25Å; I552-D581 PolarHBondContact N-OD1 2.67Å; I552-W584 HydrophobicContact CD1-CB 3.85Å; I552-W584 HydrophobicContact CD1-CG 3.92Å; I552-W584 HydrophobicContact CG2-CD2 4.33Å; I552-W584 HydrophobicContact CG2-CG 4.32Å; I552-W584 HydrophobicContact CG2-CZ2 4.46Å; I552-Y597 HydrophobicContact CD1-CD1 4Å; I552-Y597 HydrophobicContact CD1-CE1 3.58Å; I552-L601 HydrophobicContact CD1-CD2 4.25Å; I552-L601 HydrophobicContact CG2-CD1 3.6Å
553	A	96.9	Very high	96	Very high	4 Å²	4	52 Å²	52	3%	0.033	26%	0.26	C	S	.	.	H	α-helix	trans	-61.6	-39.6	-179.5	0	0	0	0	0	111.8	T550 Q556 T557 V578	T550-A553 PolarHBondContact O-N 3.46Å; A553-Q556 PolarHBondContact O-N 3.32Å; A553-T557 VanDerWaalsContact O-CB 3.26Å; A553-T557 WeakPolarHBondContact O-CB 3.39Å; A553-T557 PolarHBondContact O-N 3.19Å; A553-T557 PolarHBondContact O-OG1 2.94Å; A553-V578 HydrophobicContact CB-CG1 3.55Å
554	K	97.1	Very high	96	Very high	46 Å²	46	56.1 Å²	56.1	20%	0.2	28%	0.279	C	S	.	.	H	α-helix	trans	-56.4	-53.8	173.8	-178.8	-134.6	168.9	-130.3	0	111.2	L544 T550 I552 Q556 T557 E558	L544-K554 HydrophobicContact CB-CB 4.09Å; L544-K554 HydrophobicContact CB-CG 4.38Å; T550-K554 VanDerWaalsContact O-CB 3.28Å; T550-K554 WeakPolarHBondContact O-CB 3.11Å; T550-K554 PolarHBondContact O-N 3.3Å; I552-K554 VanDerWaalsContact C-N 3.3Å; I552-K554 PolarHBondContact O-N 3.17Å; K554-Q556 VanDerWaalsContact C-N 3.35Å; K554-Q556 PolarHBondContact O-N 3.05Å; K554-T557 PolarHBondContact O-N 3.39Å; K554-E558 WeakPolarHBondContact CE-OE1 3.25Å; K554-E558 WeakPolarHBondContact CE-OE2 3.27Å; K554-E558 IonicContact NZ-OE1 2.68Å; K554-E558 PolarHBondContact NZ-OE1 2.99Å; K554-E558 IonicContact NZ-OE2 3.4Å; K554-E558 PolarHBondContact NZ-OE2 3.45Å; K554-E558 WeakPolarHBondContact O-CG 3.3Å; K554-E558 PolarHBondContact O-N 2.57Å
555	N	96.5	Very high	95.9	Very high	91 Å²	91	59.4 Å²	59.4	49%	0.487	29%	0.293	S	S	.	.	H	α-helix	trans	-63.6	-39.7	-179.6	-69.2	-17.1	0	0	0	112.3	T551 I552 K559	T551-N555 VanDerWaalsContact O-CG 3.32Å; T551-N555 PolarHBondContact O-N 3.26Å; T551-N555 VanDerWaalsContact O-N 3.12Å; T551-N555 PolarHBondContact O-ND2 2.9Å; I552-N555 PolarHBondContact O-N 3.07Å; N555-K559 VanDerWaalsContact O-CB 3.29Å; N555-K559 WeakPolarHBondContact O-CB 3.42Å; N555-K559 PolarHBondContact O-N 3.32Å
556	Q	96.5	Very high	95.8	Very high	17 Å²	17	56.1 Å²	56.1	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-60.6	-47.3	174.8	-78.9	178.3	-24	0	0	111.6	I552 A553 K554 K559 A560 L609 L613	I552-Q556 HydrophobicContact CG2-CG 4.38Å; I552-Q556 WeakPolarHBondContact O-CB 3.27Å; I552-Q556 WeakPolarHBondContact O-CG 3.47Å; I552-Q556 PolarHBondContact O-N 3.09Å; A553-Q556 PolarHBondContact O-N 3.32Å; K554-Q556 VanDerWaalsContact C-N 3.35Å; K554-Q556 PolarHBondContact O-N 3.05Å; Q556-K559 PolarHBondContact O-N 2.88Å; Q556-A560 WeakPolarHBondContact O-CB 3.47Å; Q556-A560 PolarHBondContact O-N 3.38Å; Q556-L609 HydrophobicContact CB-CD1 3.72Å; Q556-L609 HydrophobicContact CG-CD1 3.64Å; Q556-L613 HydrophobicContact CB-CD1 4.37Å; Q556-L613 HydrophobicContact CB-CD2 4.28Å; Q556-L613 WeakPolarHBondContact O-CD1 3.15Å
557	T	97	Very high	95.8	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.012	25%	0.252	C	S	.	.	H	α-helix	trans	-61.7	-44.5	179.1	-55.9	0	0	0	0	111.5	L544 A553 K554 K561 M562 F567 Y576	L544-T557 HydrophobicContact CD1-CG2 4.4Å; A553-T557 VanDerWaalsContact O-CB 3.26Å; A553-T557 WeakPolarHBondContact O-CB 3.39Å; A553-T557 PolarHBondContact O-N 3.19Å; A553-T557 PolarHBondContact O-OG1 2.94Å; K554-T557 PolarHBondContact O-N 3.39Å; T557-K561 PolarHBondContact O-N 3.3Å; T557-M562 HydrophobicContact CG2-CB 3.71Å; T557-M562 HydrophobicContact CG2-CG 4.02Å; T557-M562 PolarHBondContact O-N 2.98Å; T557-F567 HydrophobicContact CG2-CE2 3.79Å; T557-F567 HydrophobicContact CG2-CZ 4.23Å; T557-Y576 HydrophobicContact CG2-CE1 4.14Å; T557-Y576 PolarHBondContact OG1-OH 3.05Å
558	E	96	Very high	95.6	Very high	87 Å²	87	54.1 Å²	54.1	41%	0.407	27%	0.268	S	S	.	.	H	α-helix	trans	-65.1	-48.1	175.7	-73.1	176.5	164.7	0	0	111.5	T541 K554 A560 K561	T541-E558 HydrophobicContact CG2-CG 4.46Å; K554-E558 WeakPolarHBondContact CE-OE1 3.25Å; K554-E558 WeakPolarHBondContact CE-OE2 3.27Å; K554-E558 IonicContact NZ-OE1 2.68Å; K554-E558 PolarHBondContact NZ-OE1 2.99Å; K554-E558 IonicContact NZ-OE2 3.4Å; K554-E558 PolarHBondContact NZ-OE2 3.45Å; K554-E558 WeakPolarHBondContact O-CG 3.3Å; K554-E558 PolarHBondContact O-N 2.57Å; E558-A560 VanDerWaalsContact C-N 3.3Å; E558-A560 PolarHBondContact O-N 2.72Å; E558-K561 PolarHBondContact O-N 3.49Å; E558-K561 VanDerWaalsContact O-N 3.09Å
559	K	95.8	Very high	95.3	Very high	126 Å²	126	56.3 Å²	56.3	55%	0.548	27%	0.265	S	S	.	.	H	α-helix	trans	-60	-39.3	179.9	-178.2	175.6	173.6	-177.8	0	111.9	N555 Q556 K561 D606 L609	N555-K559 VanDerWaalsContact O-CB 3.29Å; N555-K559 WeakPolarHBondContact O-CB 3.42Å; N555-K559 PolarHBondContact O-N 3.32Å; Q556-K559 PolarHBondContact O-N 2.88Å; K559-K561 VanDerWaalsContact C-N 3.31Å; K559-D606 IonicContact NZ-OD1 2.76Å; K559-D606 PolarHBondContact NZ-OD1 3.45Å; K559-L609 HydrophobicContact CB-CD2 3.98Å; K559-L609 HydrophobicContact CD-CD2 3.81Å; K559-L609 HydrophobicContact CG-CD2 3.85Å
560	A	95.2	Very high	94.8	Very high	8 Å²	8	55.5 Å²	55.5	7%	0.066	26%	0.264	C	S	.	.	H	α-helix	trans	-79.4	-9.5	179.1	0	0	0	0	0	114.2	Q556 E558 M562 K565 L609 L613	Q556-A560 WeakPolarHBondContact O-CB 3.47Å; Q556-A560 PolarHBondContact O-N 3.38Å; E558-A560 VanDerWaalsContact C-N 3.3Å; E558-A560 PolarHBondContact O-N 2.72Å; A560-M562 VanDerWaalsContact C-N 3.35Å; A560-M562 HydrophobicContact CB-CG 4.04Å; A560-M562 HydrophobicContact CB-SD 4.25Å; A560-K565 PolarHBondContact O-NZ 2.92Å; A560-L609 HydrophobicContact CB-CD2 4.26Å; A560-L609 HydrophobicContact CB-CG 4.26Å; A560-L613 HydrophobicContact CB-CD1 3.59Å
561	K	95.4	Very high	94.2	Very high	127 Å²	127	57.4 Å²	57.4	55%	0.552	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	45.3	-175.1	-57.4	-175	-179.2	-176	0	112.4	T557 E558 K559 D563 E564 K565	T557-K561 PolarHBondContact O-N 3.3Å; E558-K561 PolarHBondContact O-N 3.49Å; E558-K561 VanDerWaalsContact O-N 3.09Å; K559-K561 VanDerWaalsContact C-N 3.31Å; K561-D563 VanDerWaalsContact C-N 3.27Å; K561-D563 PolarHBondContact O-N 2.91Å; K561-E564 WeakPolarHBondContact CA-OE2 3.28Å; K561-E564 WeakPolarHBondContact CB-OE2 3.49Å; K561-K565 HydrophobicContact CB-CD 4.42Å; K561-K565 HydrophobicContact CB-CG 4.44Å; K561-K565 VanDerWaalsContact O-CB 3.27Å; K561-K565 WeakPolarHBondContact O-CB 3.48Å; K561-K565 WeakPolarHBondContact O-CG 3.48Å; K561-K565 PolarHBondContact O-N 3.02Å; K561-K565 VanDerWaalsContact O-N 3.16Å
562	M	96.2	Very high	93.3	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-63.5	-33.9	-175.6	-70.5	-62.8	-68	0	0	112.8	T557 A560 Y566 F567 L613 L614 H617	T557-M562 HydrophobicContact CG2-CB 3.71Å; T557-M562 HydrophobicContact CG2-CG 4.02Å; T557-M562 PolarHBondContact O-N 2.98Å; A560-M562 VanDerWaalsContact C-N 3.35Å; A560-M562 HydrophobicContact CB-CG 4.04Å; A560-M562 HydrophobicContact CB-SD 4.25Å; M562-Y566 HydrophobicContact CE-CD2 3.82Å; M562-Y566 HydrophobicContact CE-CG 4.33Å; M562-Y566 PolarHBondContact O-N 2.79Å; M562-Y566 HydrophobicContact SD-CD2 3.63Å; M562-Y566 HydrophobicContact SD-CE2 3.99Å; M562-F567 HydrophobicContact CB-CD2 4.24Å; M562-F567 HydrophobicContact CB-CE1 4.23Å; M562-F567 HydrophobicContact CB-CE2 3.71Å; M562-F567 HydrophobicContact CB-CZ 3.71Å; M562-F567 HydrophobicContact CE-CE1 3.94Å; M562-F567 HydrophobicContact CE-CZ 4.21Å; M562-F567 HydrophobicContact CG-CZ 4.42Å; M562-F567 PolarHBondContact O-N 2.95Å; M562-L613 HydrophobicContact CE-CB 3.97Å; M562-L613 HydrophobicContact CG-CB 4.37Å; M562-L613 HydrophobicContact CG-CD1 3.64Å; M562-L613 HydrophobicContact SD-CB 3.79Å; M562-L613 HydrophobicContact SD-CD1 3.97Å; M562-L614 HydrophobicContact CE-CD2 4.14Å; M562-H617 HydrophobicContact CE-CB 4.43Å
563	D	94.7	Very high	92.6	Very high	32 Å²	32	57.7 Å²	57.7	17%	0.171	28%	0.277	C	S	.	.	I	π-helix	trans	-59.1	-57.9	-178.9	-164.9	65.4	0	0	0	111.3	K561 F567 Q568	K561-D563 VanDerWaalsContact C-N 3.27Å; K561-D563 PolarHBondContact O-N 2.91Å; D563-F567 HydrophobicContact CB-CD2 4.47Å; D563-F567 PolarHBondContact O-N 2.88Å; D563-Q568 WeakPolarHBondContact O-CB 3.35Å; D563-Q568 WeakPolarHBondContact O-CG 3.38Å; D563-Q568 PolarHBondContact O-N 2.78Å; D563-Q568 PolarHBondContact OD2-NE2 2.99Å
564	E	94.6	Very high	92.2	Very high	106 Å²	106	57.5 Å²	57.5	50%	0.495	28%	0.275	S	S	.	.	I	π-helix	trans	-74.4	-33.7	-176.3	-50.4	96.8	148.2	0	0	112.5	K561	K561-E564 WeakPolarHBondContact CA-OE2 3.28Å; K561-E564 WeakPolarHBondContact CB-OE2 3.49Å
565	K	94.9	Very high	91.9	Very high	70 Å²	70	55.3 Å²	55.3	30%	0.304	27%	0.266	S	S	.	.	I	π-helix	trans	-78.8	-37.3	-175.7	-73.2	-178.5	174	178.4	0	113.2	A560 K561 K569 E610	A560-K565 PolarHBondContact O-NZ 2.92Å; K561-K565 HydrophobicContact CB-CD 4.42Å; K561-K565 HydrophobicContact CB-CG 4.44Å; K561-K565 VanDerWaalsContact O-CB 3.27Å; K561-K565 WeakPolarHBondContact O-CB 3.48Å; K561-K565 WeakPolarHBondContact O-CG 3.48Å; K561-K565 PolarHBondContact O-N 3.02Å; K561-K565 VanDerWaalsContact O-N 3.16Å; K565-K569 VanDerWaalsContact O-CD 3.25Å; K565-K569 WeakPolarHBondContact O-CD 3.27Å; K565-K569 VanDerWaalsContact O-CE 3.26Å; K565-K569 WeakPolarHBondContact O-CE 3.48Å; K565-K569 PolarHBondContact O-NZ 2.89Å; K565-E610 WeakPolarHBondContact CD-OE1 3.38Å; K565-E610 IonicContact NZ-OE1 3.39Å; K565-E610 PolarHBondContact NZ-OE1 3.34Å; K565-E610 IonicContact NZ-OE2 2.72Å; K565-E610 PolarHBondContact NZ-OE2 3.38Å
566	Y	94.4	Very high	91.9	Very high	60 Å²	60	51.1 Å²	51.1	24%	0.235	24%	0.243	C	C	.	.	I	π-helix	trans	-131.1	-53.1	-166.5	-58	-73.8	0	0	0	113.4	M562 K569 S570 E610 L614	M562-Y566 HydrophobicContact CE-CD2 3.82Å; M562-Y566 HydrophobicContact CE-CG 4.33Å; M562-Y566 PolarHBondContact O-N 2.79Å; M562-Y566 HydrophobicContact SD-CD2 3.63Å; M562-Y566 HydrophobicContact SD-CE2 3.99Å; Y566-K569 PolarHBondContact O-N 3.33Å; Y566-S570 WeakPolarHBondContact O-CB 3.41Å; Y566-S570 PolarHBondContact O-N 3.19Å; Y566-S570 PolarHBondContact O-OG 2.77Å; Y566-E610 HydrophobicContact CE2-CG 4.28Å; Y566-E610 VanDerWaalsContact CE2-OE1 3.26Å; Y566-E610 WeakPolarHBondContact CE2-OE1 3Å; Y566-E610 VanDerWaalsContact CZ-OE1 3.32Å; Y566-E610 PolarHBondContact OH-OE1 3.36Å; Y566-L614 HydrophobicContact CD1-CD2 3.67Å; Y566-L614 HydrophobicContact CD2-CD2 3.91Å; Y566-L614 HydrophobicContact CE1-CD1 4.19Å; Y566-L614 HydrophobicContact CE1-CD2 3.55Å; Y566-L614 HydrophobicContact CE1-CG 4.47Å; Y566-L614 HydrophobicContact CE2-CD1 4.42Å; Y566-L614 HydrophobicContact CE2-CD2 3.8Å; Y566-L614 HydrophobicContact CE2-CG 4.37Å; Y566-L614 HydrophobicContact CG-CD2 3.86Å
567	F	92.7	Very high	91.9	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	24%	0.24	C	C	.	.	I	π-helix	trans	-63.8	-53	-171.2	-58.2	-24.3	0	0	0	111.7	M540 T557 M562 D563 K569 S570 A571 N574 Y576 H617	M540-F567 HydrophobicContact CB-CD2 4.46Å; M540-F567 HydrophobicContact CB-CE2 4.36Å; M540-F567 HydrophobicContact CE-CB 3.73Å; M540-F567 HydrophobicContact CE-CD1 3.35Å; M540-F567 HydrophobicContact CE-CD2 3.61Å; M540-F567 HydrophobicContact CE-CE1 3.74Å; M540-F567 HydrophobicContact CE-CE2 3.97Å; M540-F567 HydrophobicContact CE-CG 3.29Å; M540-F567 HydrophobicContact CE-CZ 4.03Å; T557-F567 HydrophobicContact CG2-CE2 3.79Å; T557-F567 HydrophobicContact CG2-CZ 4.23Å; M562-F567 HydrophobicContact CB-CD2 4.24Å; M562-F567 HydrophobicContact CB-CE1 4.23Å; M562-F567 HydrophobicContact CB-CE2 3.71Å; M562-F567 HydrophobicContact CB-CZ 3.71Å; M562-F567 HydrophobicContact CE-CE1 3.94Å; M562-F567 HydrophobicContact CE-CZ 4.21Å; M562-F567 HydrophobicContact CG-CZ 4.42Å; M562-F567 PolarHBondContact O-N 2.95Å; D563-F567 HydrophobicContact CB-CD2 4.47Å; D563-F567 PolarHBondContact O-N 2.88Å; F567-K569 VanDerWaalsContact C-N 3.26Å; F567-K569 PolarHBondContact O-N 2.81Å; F567-S570 CarbonylContact O-C 3.55Å; F567-S570 PolarHBondContact O-N 2.83Å; F567-A571 WeakPolarHBondContact O-CA 3.33Å; F567-A571 WeakPolarHBondContact O-CB 3.49Å; F567-A571 PolarHBondContact O-N 3.22Å; F567-N574 PolarHBondContact O-ND2 3.2Å; F567-Y576 HydrophobicContact CE1-CD1 4.38Å; F567-Y576 HydrophobicContact CE1-CD2 4.43Å; F567-Y576 HydrophobicContact CE1-CG 4.26Å; F567-Y576 HydrophobicContact CE2-CD1 4.32Å; F567-Y576 HydrophobicContact CE2-CE1 4.29Å; F567-Y576 AromaticContact CZ-CD1 3.61Å; F567-Y576 HydrophobicContact CZ-CD1 3.61Å; F567-Y576 HydrophobicContact CZ-CD2 4.25Å; F567-Y576 AromaticContact CZ-CE1 3.65Å; F567-Y576 HydrophobicContact CZ-CE1 3.65Å; F567-Y576 HydrophobicContact CZ-CE2 4.31Å; F567-Y576 AromaticContact CZ-CG 3.92Å; F567-Y576 HydrophobicContact CZ-CG 3.92Å; F567-H617 AromaticContact CE1-CD2 3.9Å
568	Q	90	Very high	91.9	Very high	113 Å²	113	50.5 Å²	50.5	53%	0.528	24%	0.24	S	C	.	.	H	α-helix	trans	-59.1	-35.4	178.9	-70.3	178.7	8.4	0	0	113	D563	D563-Q568 WeakPolarHBondContact O-CB 3.35Å; D563-Q568 WeakPolarHBondContact O-CG 3.38Å; D563-Q568 PolarHBondContact O-N 2.78Å; D563-Q568 PolarHBondContact OD2-NE2 2.99Å
569	K	89.5	Confident	92	Very high	159 Å²	159	46.5 Å²	46.5	69%	0.691	22%	0.222	S	C	*	.	H	α-helix	trans	-74.5	-31.9	-179	-62.4	-173.1	-168.5	154	0	113.1	K565 Y566 F567	K565-K569 VanDerWaalsContact O-CD 3.25Å; K565-K569 WeakPolarHBondContact O-CD 3.27Å; K565-K569 VanDerWaalsContact O-CE 3.26Å; K565-K569 WeakPolarHBondContact O-CE 3.48Å; K565-K569 PolarHBondContact O-NZ 2.89Å; Y566-K569 PolarHBondContact O-N 3.33Å; F567-K569 VanDerWaalsContact C-N 3.26Å; F567-K569 PolarHBondContact O-N 2.81Å
570	S	86.9	Confident	92.1	Very high	34 Å²	34	40.9 Å²	40.9	24%	0.238	20%	0.198	C	C	.	.	H	α-helix	trans	-98.7	-6.9	-178.1	-54.1	0	0	0	0	112.1	Y566 F567 K573 N574	Y566-S570 WeakPolarHBondContact O-CB 3.41Å; Y566-S570 PolarHBondContact O-N 3.19Å; Y566-S570 PolarHBondContact O-OG 2.77Å; F567-S570 CarbonylContact O-C 3.55Å; F567-S570 PolarHBondContact O-N 2.83Å; S570-K573 VanDerWaalsContact O-CA 3.27Å; S570-K573 WeakPolarHBondContact O-CA 3.44Å; S570-K573 WeakPolarHBondContact O-CB 3.23Å; S570-K573 WeakPolarHBondContact O-CG 3.38Å; S570-K573 PolarHBondContact O-N 3.43Å; S570-N574 WeakPolarHBondContact CB-OD1 3.19Å
571	A	84.2	Confident	92.1	Very high	39 Å²	39	41.4 Å²	41.4	32%	0.322	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	141.1	-175.8	0	0	0	0	0	112.5	F567 K573 D680	F567-A571 WeakPolarHBondContact O-CA 3.33Å; F567-A571 WeakPolarHBondContact O-CB 3.49Å; F567-A571 PolarHBondContact O-N 3.22Å; A571-K573 VanDerWaalsContact C-N 3.28Å; A571-D680 HydrophobicContact CB-CB 3.97Å
572	P	78.2	Confident	92.1	Very high	23 Å²	23	40.6 Å²	40.6	15%	0.149	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	cis	-85.5	16.6	-4.5	36.1	-36	0	0	0	113.5	Y492 N574 D680	Y492-P572 HydrophobicContact CD2-CB 4.03Å; Y492-P572 HydrophobicContact CE2-CB 3.78Å; Y492-P572 PolarHBondContact OH-O 2.91Å; Y492-P572 VanDerWaalsContact OH-O 3.08Å; P572-N574 VanDerWaalsContact C-N 3.31Å; P572-N574 PolarHBondContact O-N 3.39Å; P572-D680 CarbonylContact C-O 3.52Å; P572-D680 WeakPolarHBondContact CA-O 3.4Å
573	K	81.3	Confident	92.1	Very high	68 Å²	68	40.7 Å²	40.7	30%	0.296	20%	0.202	S	C	.	.			trans	-87.5	57.1	-168.4	-43.1	173.7	-161.8	-170.4	0	111.9	T479 S570 A571 P619 L620	T479-K573 HydrophobicContact CG2-CD 4.12Å; T479-K573 HydrophobicContact CG2-CG 4.3Å; T479-K573 WeakPolarHBondContact OG1-CE 3.41Å; T479-K573 PolarHBondContact OG1-NZ 3.4Å; S570-K573 VanDerWaalsContact O-CA 3.27Å; S570-K573 WeakPolarHBondContact O-CA 3.44Å; S570-K573 WeakPolarHBondContact O-CB 3.23Å; S570-K573 WeakPolarHBondContact O-CG 3.38Å; S570-K573 PolarHBondContact O-N 3.43Å; A571-K573 VanDerWaalsContact C-N 3.28Å; K573-P619 CarbonylContact O-C 3.37Å; K573-P619 VanDerWaalsContact O-C 3.28Å; K573-P619 WeakPolarHBondContact O-CA 2.89Å; K573-L620 CarbonylContact C-O 3.53Å; K573-L620 WeakPolarHBondContact CA-O 3.47Å; K573-L620 PolarHBondContact O-N 2.87Å
574	N	89	Confident	92.1	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.194	C	C	.	.			trans	-124	127.3	179.2	-63.3	-65	0	0	0	110.3	M540 F567 S570 P572 H617 D680 G681 I682	M540-N574 HydrophobicContact CE-CB 3.48Å; M540-N574 VanDerWaalsContact CE-CB 3.48Å; M540-N574 HydrophobicContact SD-CB 4.12Å; F567-N574 PolarHBondContact O-ND2 3.2Å; S570-N574 WeakPolarHBondContact CB-OD1 3.19Å; P572-N574 VanDerWaalsContact C-N 3.31Å; P572-N574 PolarHBondContact O-N 3.39Å; N574-H617 PolarHBondContact OD1-CE1 3.1Å; N574-H617 PolarHBondContact OD1-NE2 3.2Å; N574-D680 WeakPolarHBondContact CB-O 3.48Å; N574-D680 PolarHBondContact ND2-O 2.85Å; N574-G681 CarbonylContact O-C 3.59Å; N574-G681 WeakPolarHBondContact O-CA 3.43Å; N574-I682 PolarHBondContact O-N 3.06Å
575	L	91.7	Very high	92	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	126.2	153.7	169.4	64.3	0	0	0	108	L577 H617 I618 W623 F648 I682 W684	L575-L577 HydrophobicContact CD1-CD2 4.11Å; L575-L577 HydrophobicContact CD2-CD2 3.95Å; L575-L577 HydrophobicContact CG-CD2 3.98Å; L575-L577 HydrophobicContact CG-CG 4.49Å; L575-H617 WeakPolarHBondContact O-CA 3.35Å; L575-I618 HydrophobicContact CB-CB 4.28Å; L575-I618 HydrophobicContact CD2-CD1 3.77Å; L575-I618 HydrophobicContact CG-CD1 4.38Å; L575-I618 PolarHBondContact N-O 2.72Å; L575-I618 PolarHBondContact O-N 3.37Å; L575-W623 HydrophobicContact CB-CB 4.38Å; L575-W623 VanDerWaalsContact CB-CD1 3.5Å; L575-W623 HydrophobicContact CB-CD2 3.52Å; L575-W623 VanDerWaalsContact CB-CE2 3.46Å; L575-W623 HydrophobicContact CB-CE3 4.2Å; L575-W623 HydrophobicContact CB-CG 3.57Å; L575-W623 HydrophobicContact CB-CZ2 4.12Å; L575-W623 HydrophobicContact CD2-CD2 3.68Å; L575-W623 HydrophobicContact CD2-CE3 3.45Å; L575-W623 VanDerWaalsContact CD2-CE3 3.45Å; L575-W623 HydrophobicContact CD2-CG 4.49Å; L575-W623 HydrophobicContact CD2-CH2 3.62Å; L575-W623 HydrophobicContact CD2-CZ2 3.88Å; L575-W623 HydrophobicContact CD2-CZ3 3.4Å; L575-W623 HydrophobicContact CG-CD2 4.13Å; L575-W623 HydrophobicContact CG-CE3 4.31Å; L575-W623 HydrophobicContact CG-CG 4.47Å; L575-F648 HydrophobicContact CD2-CE1 3.97Å; L575-F648 HydrophobicContact CD2-CZ 3.94Å; L575-I682 CarbonylContact C-O 3.52Å; L575-I682 WeakPolarHBondContact CA-O 3.18Å; L575-I682 HydrophobicContact CD1-CG2 4.22Å; L575-W684 HydrophobicContact CD1-CB 4.18Å; L575-W684 HydrophobicContact CD1-CD2 3.81Å; L575-W684 HydrophobicContact CD1-CE3 4.48Å; L575-W684 HydrophobicContact CD1-CG 3.67Å; L575-W684 HydrophobicContact CD2-CD2 4.49Å; L575-W684 HydrophobicContact CD2-CE3 4.44Å
576	Y	95	Very high	91.7	Very high	3 Å²	3	36.3 Å²	36.3	1%	0.012	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	113.4	175.9	-168.2	-149.3	0	0	0	110.2	L544 T557 F567 V578 L613 N616 H617 I682 I683 W684	L544-Y576 HydrophobicContact CD1-CD1 4.32Å; L544-Y576 HydrophobicContact CD1-CE1 3.8Å; T557-Y576 HydrophobicContact CG2-CE1 4.14Å; T557-Y576 PolarHBondContact OG1-OH 3.05Å; F567-Y576 HydrophobicContact CE1-CD1 4.38Å; F567-Y576 HydrophobicContact CE1-CD2 4.43Å; F567-Y576 HydrophobicContact CE1-CG 4.26Å; F567-Y576 HydrophobicContact CE2-CD1 4.32Å; F567-Y576 HydrophobicContact CE2-CE1 4.29Å; F567-Y576 AromaticContact CZ-CD1 3.61Å; F567-Y576 HydrophobicContact CZ-CD1 3.61Å; F567-Y576 HydrophobicContact CZ-CD2 4.25Å; F567-Y576 AromaticContact CZ-CE1 3.65Å; F567-Y576 HydrophobicContact CZ-CE1 3.65Å; F567-Y576 HydrophobicContact CZ-CE2 4.31Å; F567-Y576 AromaticContact CZ-CG 3.92Å; F567-Y576 HydrophobicContact CZ-CG 3.92Å; Y576-V578 HydrophobicContact CD1-CG2 3.49Å; Y576-V578 VanDerWaalsContact CD1-CG2 3.49Å; Y576-V578 HydrophobicContact CD2-CG2 4.42Å; Y576-V578 HydrophobicContact CE1-CG2 3.7Å; Y576-V578 HydrophobicContact CG-CG2 3.9Å; Y576-L613 WeakPolarHBondContact OH-CD2 3.37Å; Y576-N616 HydrophobicContact CE2-CB 4.49Å; Y576-H617 HydrophobicContact CD2-CB 4.45Å; Y576-I682 PolarHBondContact N-O 2.93Å; Y576-I683 HydrophobicContact CD1-CG1 4.35Å; Y576-I683 VanDerWaalsContact O-CA 3.31Å; Y576-I683 WeakPolarHBondContact O-CA 3.13Å; Y576-W684 PolarHBondContact O-N 2.9Å
577	L	96.7	Very high	91.3	Very high	3 Å²	3	38.4 Å²	38.4	2%	0.016	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.1	177.5	-56.9	-179.9	0	0	0	108.3	L575 N616 I618 L646 F648 I658 W684 L686 L690	L575-L577 HydrophobicContact CD1-CD2 4.11Å; L575-L577 HydrophobicContact CD2-CD2 3.95Å; L575-L577 HydrophobicContact CG-CD2 3.98Å; L575-L577 HydrophobicContact CG-CG 4.49Å; L577-N616 HydrophobicContact CB-CB 4.06Å; L577-N616 WeakPolarHBondContact CB-O 3.48Å; L577-N616 PolarHBondContact N-O 3.04Å; L577-N616 WeakPolarHBondContact O-CB 3.48Å; L577-I618 HydrophobicContact CD1-CD1 4.32Å; L577-L646 HydrophobicContact CD1-CD1 3.94Å; L577-F648 HydrophobicContact CD1-CZ 4.33Å; L577-I658 HydrophobicContact CD1-CD1 3.77Å; L577-I658 HydrophobicContact CD1-CG2 4Å; L577-I658 HydrophobicContact CD2-CD1 3.57Å; L577-I658 HydrophobicContact CG-CD1 4.32Å; L577-W684 HydrophobicContact CD2-CB 4Å; L577-W684 HydrophobicContact CD2-CE3 4.12Å; L577-L686 HydrophobicContact CB-CD1 4.02Å; L577-L690 HydrophobicContact CD1-CD2 4.47Å
578	V	97.7	Very high	90.9	Very high	2 Å²	2	47.7 Å²	47.7	1%	0.012	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121	114.1	-170.5	170.6	0	0	0	0	109.8	L544 T550 A553 Y576 T580 I683 W684 L685 L686	L544-V578 HydrophobicContact CD1-CG2 4.49Å; L544-V578 HydrophobicContact CD2-CB 4.43Å; L544-V578 HydrophobicContact CD2-CG1 3.78Å; L544-V578 HydrophobicContact CD2-CG2 4.08Å; T550-V578 HydrophobicContact CG2-CG1 4.02Å; A553-V578 HydrophobicContact CB-CG1 3.55Å; Y576-V578 HydrophobicContact CD1-CG2 3.49Å; Y576-V578 VanDerWaalsContact CD1-CG2 3.49Å; Y576-V578 HydrophobicContact CD2-CG2 4.42Å; Y576-V578 HydrophobicContact CE1-CG2 3.7Å; Y576-V578 HydrophobicContact CG-CG2 3.9Å; V578-T580 PolarHBondContact O-N 3.45Å; V578-I683 HydrophobicContact CB-CG2 3.8Å; V578-I683 HydrophobicContact CG2-CG2 3.64Å; V578-W684 PolarHBondContact N-O 2.92Å; V578-L685 HydrophobicContact CB-CD2 3.92Å; V578-L685 HydrophobicContact CG1-CD2 3.89Å; V578-L685 CarbonylContact O-C 3.57Å; V578-L685 VanDerWaalsContact O-CA 3.27Å; V578-L685 WeakPolarHBondContact O-CA 3.38Å; V578-L686 PolarHBondContact O-N 2.8Å
579	T	97.8	Very high	90.5	Very high	3 Å²	3	43.9 Å²	43.9	2%	0.018	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	125.9	170.8	-55.3	0	0	0	0	110.4	W584 G688 I689	T579-W584 HydrophobicContact CG2-CG 4.23Å; T579-G688 VanDerWaalsContact CG2-O 3.25Å; T579-G688 WeakPolarHBondContact CG2-O 3.48Å; T579-G688 PolarHBondContact OG1-O 3.25Å; T579-I689 HydrophobicContact CG2-CG2 3.92Å
580	T	97.6	Very high	90.2	Very high	9 Å²	9	39.7 Å²	39.7	6%	0.055	21%	0.213	C	C	.	.			trans	-66	158	174.1	57.8	0	0	0	0	111.6	D549 V578 N582 G583 W584 I672 L685 L686	D549-T580 CarbonylContact O-C 3.51Å; D549-T580 WeakPolarHBondContact O-CA 3.19Å; V578-T580 PolarHBondContact O-N 3.45Å; T580-N582 PolarHBondContact O-N 3.38Å; T580-N582 VanDerWaalsContact O-N 3.16Å; T580-G583 WeakPolarHBondContact O-CA 3.26Å; T580-G583 PolarHBondContact O-N 2.86Å; T580-G583 PolarHBondContact OG1-N 3.22Å; T580-W584 VanDerWaalsContact O-CD1 3.3Å; T580-W584 PolarHBondContact O-N 2.95Å; T580-I672 HydrophobicContact CG2-CD1 3.84Å; T580-L685 HydrophobicContact CG2-CB 4.05Å; T580-L685 HydrophobicContact CG2-CD1 4.17Å; T580-L686 PolarHBondContact N-O 3.07Å; T580-L686 VanDerWaalsContact N-O 3.11Å; T580-L686 PolarHBondContact OG1-O 3.15Å
581	D	96.2	Very high	89.8	Confident	19 Å²	19	44.9 Å²	44.9	10%	0.102	25%	0.246	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-32.4	179.5	-64.4	-18.3	0	0	0	112.4	D549 T550 T551 I552 W584	D549-D581 PolarHBondContact O-N 3.41Å; T550-D581 PolarHBondContact N-OD2 2.83Å; T551-D581 WeakPolarHBondContact CB-OD2 3.45Å; T551-D581 VanDerWaalsContact N-CG 3.32Å; T551-D581 PolarHBondContact N-OD1 3.03Å; T551-D581 PolarHBondContact N-OD2 3.36Å; T551-D581 VanDerWaalsContact OG1-CG 3.28Å; T551-D581 PolarHBondContact OG1-OD1 2.87Å; T551-D581 PolarHBondContact OG1-OD2 2.7Å; I552-D581 WeakPolarHBondContact CB-OD1 3.29Å; I552-D581 HydrophobicContact CD1-CB 4.39Å; I552-D581 WeakPolarHBondContact CG1-OD1 3.25Å; I552-D581 PolarHBondContact N-OD1 2.67Å; D581-W584 PolarHBondContact O-N 3.26Å
582	N	95	Very high	89.6	Confident	109 Å²	109	49 Å²	49	58%	0.583	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-32.4	172.2	-78.4	-29.9	0	0	0	112.8	T580 W584 K585	T580-N582 PolarHBondContact O-N 3.38Å; T580-N582 VanDerWaalsContact O-N 3.16Å; N582-W584 PolarHBondContact O-N 2.51Å; N582-K585 WeakPolarHBondContact O-CB 3.26Å; N582-K585 PolarHBondContact O-N 3.07Å; N582-K585 VanDerWaalsContact O-N 3.12Å; N582-K585 WeakPolarHBondContact OD1-CE 3.36Å; N582-K585 PolarHBondContact OD1-NZ 3.42Å
583	G	95.4	Very high	89.5	Confident	2 Å²	2	50.6 Å²	50.6	2%	0.021	28%	0.277	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-22	175.8	0	0	0	0	0	113.8	T580 K585 R598 D687	T580-G583 WeakPolarHBondContact O-CA 3.26Å; T580-G583 PolarHBondContact O-N 2.86Å; T580-G583 PolarHBondContact OG1-N 3.22Å; G583-K585 VanDerWaalsContact C-N 3.33Å; G583-R598 PolarHBondContact O-NE 3.15Å; G583-D687 WeakPolarHBondContact CA-O 3.1Å
584	W	95.4	Very high	89.3	Confident	1 Å²	1	55.7 Å²	55.7	0%	0.004	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-13.5	170.8	-74.4	101.6	0	0	0	114.2	I552 T579 T580 D581 N582 Y597 R598 L601 Y604 Y612 I689	I552-W584 HydrophobicContact CD1-CB 3.85Å; I552-W584 HydrophobicContact CD1-CG 3.92Å; I552-W584 HydrophobicContact CG2-CD2 4.33Å; I552-W584 HydrophobicContact CG2-CG 4.32Å; I552-W584 HydrophobicContact CG2-CZ2 4.46Å; T579-W584 HydrophobicContact CG2-CG 4.23Å; T580-W584 VanDerWaalsContact O-CD1 3.3Å; T580-W584 PolarHBondContact O-N 2.95Å; D581-W584 PolarHBondContact O-N 3.26Å; N582-W584 PolarHBondContact O-N 2.51Å; W584-Y597 HydrophobicContact CB-CD1 3.94Å; W584-Y597 HydrophobicContact CB-CE1 4.49Å; W584-Y597 WeakPolarHBondContact O-CA 3.34Å; W584-R598 WeakPolarHBondContact O-CB 3.36Å; W584-R598 WeakPolarHBondContact O-CG 3.48Å; W584-R598 PolarHBondContact O-N 3.14Å; W584-L601 HydrophobicContact CD2-CD1 4.2Å; W584-L601 HydrophobicContact CE3-CB 3.87Å; W584-L601 HydrophobicContact CE3-CD1 3.89Å; W584-L601 HydrophobicContact CE3-CG 4.39Å; W584-L601 HydrophobicContact CH2-CD1 4.3Å; W584-L601 HydrophobicContact CZ3-CB 4Å; W584-L601 HydrophobicContact CZ3-CD1 3.95Å; W584-Y604 AromaticContact CH2-CD2 3.9Å; W584-Y604 HydrophobicContact CH2-CD2 3.9Å; W584-Y604 HydrophobicContact CZ3-CD2 4.15Å; W584-Y612 HydrophobicContact CH2-CD1 4.47Å; W584-Y612 AromaticContact CH2-CE1 3.69Å; W584-Y612 HydrophobicContact CH2-CE1 3.69Å; W584-Y612 HydrophobicContact CH2-CE2 4.43Å; W584-Y612 AromaticContact CH2-CZ 3.65Å; W584-Y612 AromaticContact CZ2-CE1 3.63Å; W584-Y612 HydrophobicContact CZ2-CE1 3.63Å; W584-Y612 AromaticContact CZ2-CZ 3.71Å; W584-Y612 WeakPolarHBondContact CZ2-OH 3.13Å; W584-I689 HydrophobicContact CD2-CG2 3.63Å; W584-I689 HydrophobicContact CE3-CG2 3.41Å; W584-I689 VanDerWaalsContact CE3-CG2 3.41Å; W584-I689 HydrophobicContact CG-CG2 4.35Å; W584-I689 HydrophobicContact CH2-CG2 3.97Å; W584-I689 HydrophobicContact CZ2-CG2 4.15Å; W584-I689 HydrophobicContact CZ3-CG2 3.59Å
585	K	92.6	Very high	89	Confident	90 Å²	90	59 Å²	59	39%	0.391	32%	0.323	S	S	.	.	B	Isolated β-bridge	trans	-70.9	140.5	179	-67.7	177.8	176.6	167	0	111.1	N582 G583 P587 P596 Y597 R598	N582-K585 WeakPolarHBondContact O-CB 3.26Å; N582-K585 PolarHBondContact O-N 3.07Å; N582-K585 VanDerWaalsContact O-N 3.12Å; N582-K585 WeakPolarHBondContact OD1-CE 3.36Å; N582-K585 PolarHBondContact OD1-NZ 3.42Å; G583-K585 VanDerWaalsContact C-N 3.33Å; K585-P587 WeakPolarHBondContact O-CD 3.27Å; K585-P596 WeakPolarHBondContact CA-O 3.38Å; K585-Y597 HydrophobicContact CG-CD1 4.33Å; K585-Y597 HydrophobicContact CG-CE1 4.32Å; K585-R598 PolarHBondContact O-NE 2.86Å
586	D	88.3	Confident	88.7	Confident	25 Å²	25	61.1 Å²	61.1	13%	0.134	34%	0.337	C	S	.	.			trans	-71.2	125	170.2	-169.2	-37.7	0	0	0	108.3	R588 A589 P596 R598	D586-R588 PolarHBondContact O-N 3.4Å; D586-R588 VanDerWaalsContact OD1-CB 3.26Å; D586-R588 WeakPolarHBondContact OD1-CB 3.31Å; D586-R588 WeakPolarHBondContact OD1-CG 3.23Å; D586-R588 IonicContact OD1-CZ 3.4Å; D586-R588 PolarHBondContact OD1-N 2.94Å; D586-R588 IonicContact OD1-NE 3.23Å; D586-R588 PolarHBondContact OD1-NE 3.38Å; D586-R588 VanDerWaalsContact OD1-NE 3.08Å; D586-R588 IonicContact OD1-NH2 2.73Å; D586-R588 IonicContact OD2-CZ 2.73Å; D586-R588 IonicContact OD2-NE 3.95Å; D586-R588 PolarHBondContact OD2-NE 2.97Å; D586-R588 IonicContact OD2-NH2 3.97Å; D586-R588 PolarHBondContact OD2-NH2 3.32Å; D586-A589 HydrophobicContact CB-CB 4.27Å; D586-A589 VanDerWaalsContact O-CB 3.26Å; D586-A589 WeakPolarHBondContact O-CB 3.37Å; D586-A589 PolarHBondContact O-N 2.02Å; D586-P596 PolarHBondContact N-O 3.4Å; D586-R598 HydrophobicContact CB-CG 4.31Å
587	P	85.5	Confident	88.5	Confident	105 Å²	105	64.6 Å²	64.6	68%	0.682	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-19.3	176.2	-24.9	34.7	0	0	0	114.4	K585	K585-P587 WeakPolarHBondContact O-CD 3.27Å
588	R	84.4	Confident	88.1	Confident	194 Å²	194	67.1 Å²	67.1	73%	0.732	36%	0.36	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-11.8	176.5	-56.9	171.7	-67.3	176.7	3.4	113	D586 T590	D586-R588 PolarHBondContact O-N 3.4Å; D586-R588 VanDerWaalsContact OD1-CB 3.26Å; D586-R588 WeakPolarHBondContact OD1-CB 3.31Å; D586-R588 WeakPolarHBondContact OD1-CG 3.23Å; D586-R588 IonicContact OD1-CZ 3.4Å; D586-R588 PolarHBondContact OD1-N 2.94Å; D586-R588 IonicContact OD1-NE 3.23Å; D586-R588 PolarHBondContact OD1-NE 3.38Å; D586-R588 VanDerWaalsContact OD1-NE 3.08Å; D586-R588 IonicContact OD1-NH2 2.73Å; D586-R588 IonicContact OD2-CZ 2.73Å; D586-R588 IonicContact OD2-NE 3.95Å; D586-R588 PolarHBondContact OD2-NE 2.97Å; D586-R588 IonicContact OD2-NH2 3.97Å; D586-R588 PolarHBondContact OD2-NH2 3.32Å; R588-T590 PolarHBondContact O-N 2.82Å
589	A	82.9	Confident	87.6	Confident	33 Å²	33	69.4 Å²	69.4	27%	0.273	38%	0.375	S	S	.	.			trans	-67.4	132	-178.6	0	0	0	0	0	111.2	D586 T593 P596	D586-A589 HydrophobicContact CB-CB 4.27Å; D586-A589 VanDerWaalsContact O-CB 3.26Å; D586-A589 WeakPolarHBondContact O-CB 3.37Å; D586-A589 PolarHBondContact O-N 2.02Å; A589-T593 HydrophobicContact CB-CG2 4.3Å; A589-P596 HydrophobicContact CB-CB 4.2Å
590	T	82.4	Confident	87.3	Confident	72 Å²	72	70.3 Å²	70.3	44%	0.442	38%	0.379	S	S	.	.			trans	-101	167.4	173.1	67.4	0	0	0	0	109.7	R588 T592 T593	R588-T590 PolarHBondContact O-N 2.82Å; T590-T592 PolarHBondContact O-N 2.91Å; T590-T592 PolarHBondContact OG1-OG1 2.81Å; T590-T592 VanDerWaalsContact OG1-OG1 3.06Å; T590-T593 PolarHBondContact N-OG1 2.92Å; T590-T593 WeakPolarHBondContact O-CB 3.29Å; T590-T593 PolarHBondContact O-N 2.96Å; T590-T593 PolarHBondContact O-OG1 2.85Å; T590-T593 PolarHBondContact OG1-OG1 3.38Å
591	P	77.9	Confident	86.9	Confident	142 Å²	142	71.3 Å²	71.3	92%	0.922	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-18	176.4	-26.1	35.7	0	0	0	114.8
592	T	79.8	Confident	86.4	Confident	125 Å²	125	74.7 Å²	74.7	77%	0.767	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.3	-3.7	178.2	57.1	0	0	0	0	113.3	T590 I594	T590-T592 PolarHBondContact O-N 2.91Å; T590-T592 PolarHBondContact OG1-OG1 2.81Å; T590-T592 VanDerWaalsContact OG1-OG1 3.06Å; T592-I594 PolarHBondContact O-N 2.71Å
593	T	77.7	Confident	85.9	Confident	57 Å²	57	70 Å²	70	35%	0.35	38%	0.377	S	S	.	.			trans	-67.8	123.4	177.9	-55.8	0	0	0	0	110.3	A589 T590 N595	A589-T593 HydrophobicContact CB-CG2 4.3Å; T590-T593 PolarHBondContact N-OG1 2.92Å; T590-T593 WeakPolarHBondContact O-CB 3.29Å; T590-T593 PolarHBondContact O-N 2.96Å; T590-T593 PolarHBondContact O-OG1 2.85Å; T590-T593 PolarHBondContact OG1-OG1 3.38Å; T593-N595 VanDerWaalsContact CG2-O 3.26Å; T593-N595 WeakPolarHBondContact CG2-O 3.43Å; T593-N595 PolarHBondContact O-N 2.87Å
594	I	76.6	Confident	85.7	Confident	176 Å²	176	70.4 Å²	70.4	90%	0.903	38%	0.378	S	S	*	.	S	Bend	trans	-59	-44.6	-176.3	-63.2	171.4	0	0	0	111.8	T592	T592-I594 PolarHBondContact O-N 2.71Å
595	N	81.4	Confident	85.3	Confident	69 Å²	69	72.7 Å²	72.7	37%	0.369	39%	0.392	S	S	.	.			trans	-115.3	104.6	171	-177.2	4.8	0	0	0	109.6	T593 Y597	T593-N595 VanDerWaalsContact CG2-O 3.26Å; T593-N595 WeakPolarHBondContact CG2-O 3.43Å; T593-N595 PolarHBondContact O-N 2.87Å; N595-Y597 PolarHBondContact O-N 2.67Å; N595-Y597 WeakPolarHBondContact OD1-CB 3.43Å; N595-Y597 WeakPolarHBondContact OD1-CD2 3.19Å; N595-Y597 PolarHBondContact OD1-N 3.49Å
596	P	87	Confident	84.9	Confident	44 Å²	44	73.1 Å²	73.1	29%	0.286	40%	0.398	S	S	.	.			trans	-77.5	-3	-178	33	-36.3	0	0	0	113.3	K585 D586 A589	K585-P596 WeakPolarHBondContact CA-O 3.38Å; D586-P596 PolarHBondContact N-O 3.4Å; A589-P596 HydrophobicContact CB-CB 4.2Å
597	Y	90.5	Very high	84.5	Confident	76 Å²	76	80.4 Å²	80.4	30%	0.298	43%	0.429	S	S	.	.	B	Isolated β-bridge	trans	-94.5	153.9	-175	-58.3	-71.7	0	0	0	112.6	I552 W584 K585 N595 L601	I552-Y597 HydrophobicContact CD1-CD1 4Å; I552-Y597 HydrophobicContact CD1-CE1 3.58Å; W584-Y597 HydrophobicContact CB-CD1 3.94Å; W584-Y597 HydrophobicContact CB-CE1 4.49Å; W584-Y597 WeakPolarHBondContact O-CA 3.34Å; K585-Y597 HydrophobicContact CG-CD1 4.33Å; K585-Y597 HydrophobicContact CG-CE1 4.32Å; N595-Y597 PolarHBondContact O-N 2.67Å; N595-Y597 WeakPolarHBondContact OD1-CB 3.43Å; N595-Y597 WeakPolarHBondContact OD1-CD2 3.19Å; N595-Y597 PolarHBondContact OD1-N 3.49Å; Y597-L601 HydrophobicContact CD1-CD2 4.18Å; Y597-L601 HydrophobicContact CD2-CD2 4.03Å; Y597-L601 HydrophobicContact CG-CD2 3.69Å
598	R	89	Confident	84.8	Confident	56 Å²	56	75.9 Å²	75.9	21%	0.211	40%	0.399	C	S	.	.			trans	-59.8	142.7	174.4	-72.2	175.6	-175.6	-95.5	2.6	111.2	G583 W584 K585 D586 E600 L601	G583-R598 PolarHBondContact O-NE 3.15Å; W584-R598 WeakPolarHBondContact O-CB 3.36Å; W584-R598 WeakPolarHBondContact O-CG 3.48Å; W584-R598 PolarHBondContact O-N 3.14Å; K585-R598 PolarHBondContact O-NE 2.86Å; D586-R598 HydrophobicContact CB-CG 4.31Å; R598-E600 WeakPolarHBondContact CB-OE2 3.48Å; R598-E600 PolarHBondContact O-N 3.39Å; R598-E600 VanDerWaalsContact O-N 3.08Å; R598-L601 WeakPolarHBondContact O-CB 3.5Å; R598-L601 PolarHBondContact O-N 3.12Å
599	P	86.6	Confident	85.3	Confident	51 Å²	51	66.9 Å²	66.9	33%	0.331	37%	0.365	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.3	-32.3	178.3	-26.2	34.1	0	0	0	113.5	L601 N602 I603	P599-L601 PolarHBondContact O-N 3.35Å; P599-L601 VanDerWaalsContact O-N 3.09Å; P599-N602 PolarHBondContact O-N 2.93Å; P599-I603 PolarHBondContact O-N 2.84Å
600	E	90.2	Very high	85.8	Confident	21 Å²	21	67.7 Å²	67.7	10%	0.098	36%	0.363	C	S	.	.	H	α-helix	trans	-55.7	-25.9	177.6	-68.8	91	156.3	0	0	114	R598 N602 I603 Y604 I689 K691	R598-E600 WeakPolarHBondContact CB-OE2 3.48Å; R598-E600 PolarHBondContact O-N 3.39Å; R598-E600 VanDerWaalsContact O-N 3.08Å; E600-N602 PolarHBondContact O-N 3.31Å; E600-I603 PolarHBondContact O-N 3.26Å; E600-Y604 HydrophobicContact CB-CD2 4.12Å; E600-Y604 HydrophobicContact CB-CE2 3.6Å; E600-Y604 HydrophobicContact CG-CE2 4.14Å; E600-Y604 VanDerWaalsContact O-CD2 3.3Å; E600-Y604 WeakPolarHBondContact O-CD2 3.25Å; E600-Y604 PolarHBondContact O-N 3.44Å; E600-I689 HydrophobicContact CB-CD1 3.54Å; E600-I689 HydrophobicContact CG-CD1 3.54Å; E600-K691 WeakPolarHBondContact OE1-CE 3.26Å; E600-K691 IonicContact OE1-NZ 3.79Å; E600-K691 PolarHBondContact OE1-NZ 3.45Å
601	L	90	Very high	86.5	Confident	31 Å²	31	66.4 Å²	66.4	16%	0.162	35%	0.354	C	S	.	.	H	α-helix	trans	-62.5	-34.2	175.8	-176.7	58.7	0	0	0	112.2	I552 W584 Y597 R598 P599	I552-L601 HydrophobicContact CD1-CD2 4.25Å; I552-L601 HydrophobicContact CG2-CD1 3.6Å; W584-L601 HydrophobicContact CD2-CD1 4.2Å; W584-L601 HydrophobicContact CE3-CB 3.87Å; W584-L601 HydrophobicContact CE3-CD1 3.89Å; W584-L601 HydrophobicContact CE3-CG 4.39Å; W584-L601 HydrophobicContact CH2-CD1 4.3Å; W584-L601 HydrophobicContact CZ3-CB 4Å; W584-L601 HydrophobicContact CZ3-CD1 3.95Å; Y597-L601 HydrophobicContact CD1-CD2 4.18Å; Y597-L601 HydrophobicContact CD2-CD2 4.03Å; Y597-L601 HydrophobicContact CG-CD2 3.69Å; R598-L601 WeakPolarHBondContact O-CB 3.5Å; R598-L601 PolarHBondContact O-N 3.12Å; P599-L601 PolarHBondContact O-N 3.35Å; P599-L601 VanDerWaalsContact O-N 3.09Å
602	N	85.8	Confident	87.4	Confident	90 Å²	90	59.9 Å²	59.9	48%	0.481	31%	0.311	S	S	.	.	H	α-helix	trans	-80.3	-31.6	175.6	-66.4	-21.8	0	0	0	111.6	P599 E600 T605 L757	P599-N602 PolarHBondContact O-N 2.93Å; E600-N602 PolarHBondContact O-N 3.31Å; N602-T605 VanDerWaalsContact O-CG2 3.29Å; N602-T605 WeakPolarHBondContact O-CG2 3.13Å; N602-T605 PolarHBondContact O-OG1 2.91Å; N602-L757 HydrophobicContact CB-CD1 4.24Å
603	I	85.3	Confident	88.2	Confident	11 Å²	11	54 Å²	54	6%	0.056	28%	0.275	C	S	.	.	H	α-helix	trans	-69.4	-41.2	178.5	-60.6	172.7	0	0	0	111.4	P599 E600 T605 N608 L699 L757	P599-I603 PolarHBondContact O-N 2.84Å; E600-I603 PolarHBondContact O-N 3.26Å; I603-T605 PolarHBondContact O-N 2.9Å; I603-N608 VanDerWaalsContact O-CB 3.27Å; I603-N608 WeakPolarHBondContact O-CB 3.4Å; I603-N608 PolarHBondContact O-ND2 3.19Å; I603-L699 HydrophobicContact CD1-CD2 3.9Å; I603-L757 HydrophobicContact CD1-CD1 4.1Å; I603-L757 HydrophobicContact CG1-CD1 3.47Å; I603-L757 VanDerWaalsContact CG1-CD1 3.47Å
604	Y	90.6	Very high	89.1	Confident	10 Å²	10	52 Å²	52	4%	0.039	26%	0.262	C	S	.	.	S	Bend	trans	-85.3	53.9	-178.1	-54	-31	0	0	0	111.6	W584 E600 L609 Y612 C692 C697	W584-Y604 AromaticContact CH2-CD2 3.9Å; W584-Y604 HydrophobicContact CH2-CD2 3.9Å; W584-Y604 HydrophobicContact CZ3-CD2 4.15Å; E600-Y604 HydrophobicContact CB-CD2 4.12Å; E600-Y604 HydrophobicContact CB-CE2 3.6Å; E600-Y604 HydrophobicContact CG-CE2 4.14Å; E600-Y604 VanDerWaalsContact O-CD2 3.3Å; E600-Y604 WeakPolarHBondContact O-CD2 3.25Å; E600-Y604 PolarHBondContact O-N 3.44Å; Y604-L609 WeakPolarHBondContact O-CB 3.03Å; Y604-L609 WeakPolarHBondContact O-CD1 3.31Å; Y604-Y612 HydrophobicContact CD1-CG 4.46Å; Y604-Y612 HydrophobicContact CD2-CD1 4.11Å; Y604-Y612 AromaticContact CD2-CD2 3.45Å; Y604-Y612 HydrophobicContact CD2-CD2 3.45Å; Y604-Y612 VanDerWaalsContact CD2-CD2 3.45Å; Y604-Y612 HydrophobicContact CD2-CE1 4.4Å; Y604-Y612 AromaticContact CD2-CE2 3.77Å; Y604-Y612 HydrophobicContact CD2-CE2 3.77Å; Y604-Y612 AromaticContact CD2-CG 3.64Å; Y604-Y612 HydrophobicContact CD2-CG 3.64Å; Y604-Y612 AromaticContact CE2-CD2 3.52Å; Y604-Y612 HydrophobicContact CE2-CD2 3.52Å; Y604-Y612 AromaticContact CE2-CE2 3.68Å; Y604-Y612 HydrophobicContact CE2-CE2 3.68Å; Y604-Y612 HydrophobicContact CE2-CG 4.18Å; Y604-Y612 HydrophobicContact CG-CD1 4.38Å; Y604-Y612 AromaticContact CG-CD2 3.99Å; Y604-Y612 HydrophobicContact CG-CD2 3.99Å; Y604-Y612 AromaticContact CG-CG 3.81Å; Y604-Y612 HydrophobicContact CG-CG 3.81Å; Y604-C692 HydrophobicContact CD1-CB 4.31Å; Y604-C692 HydrophobicContact CE1-CB 3.45Å; Y604-C692 VanDerWaalsContact CE1-CB 3.45Å; Y604-C692 HydrophobicContact CE2-CB 4.49Å; Y604-C692 PolarHBondContact OH-N 2.95Å; Y604-C697 HydrophobicContact CD1-CB 4.13Å; Y604-C697 HydrophobicContact CE1-CB 3.85Å
605	T	87	Confident	90.1	Very high	48 Å²	48	43.6 Å²	43.6	29%	0.294	22%	0.219	S	C	.	.	S	Bend	trans	-112.9	167.1	173.9	55.2	0	0	0	0	110.1	N602 I603 K607 N608 L609	N602-T605 VanDerWaalsContact O-CG2 3.29Å; N602-T605 WeakPolarHBondContact O-CG2 3.13Å; N602-T605 PolarHBondContact O-OG1 2.91Å; I603-T605 PolarHBondContact O-N 2.9Å; T605-K607 PolarHBondContact O-N 3.28Å; T605-K607 VanDerWaalsContact O-N 3.08Å; T605-N608 PolarHBondContact O-N 3.03Å; T605-L609 PolarHBondContact O-N 3.09Å; T605-L609 VanDerWaalsContact O-N 3.1Å
606	D	83.3	Confident	90.9	Very high	100 Å²	100	40.3 Å²	40.3	54%	0.535	20%	0.201	S	C	.	.	H	α-helix	trans	44.6	-108.9	175.3	-53.6	-33.5	0	0	0	114.8	K559 L609	K559-D606 IonicContact NZ-OD1 2.76Å; K559-D606 PolarHBondContact NZ-OD1 3.45Å; D606-L609 WeakPolarHBondContact O-CB 3.34Å
607	K	81.4	Confident	91.4	Very high	177 Å²	177	38.3 Å²	38.3	77%	0.77	19%	0.188	S	C	*	.	H	α-helix	trans	-70	-36.3	-179.1	-171.8	-179.4	176.9	-174.1	0	112.7	T605 L609	T605-K607 PolarHBondContact O-N 3.28Å; T605-K607 VanDerWaalsContact O-N 3.08Å; K607-L609 VanDerWaalsContact C-N 3.3Å
608	N	90.9	Very high	91.5	Very high	11 Å²	11	34.7 Å²	34.7	6%	0.059	17%	0.174	C	C	.	.	H	α-helix	trans	-74.5	-23.6	-179.4	-75.2	-14.7	0	0	0	112.2	I603 T605 N611 Y612 C697 P698	I603-N608 VanDerWaalsContact O-CB 3.27Å; I603-N608 WeakPolarHBondContact O-CB 3.4Å; I603-N608 PolarHBondContact O-ND2 3.19Å; T605-N608 PolarHBondContact O-N 3.03Å; N608-N611 PolarHBondContact O-N 3.14Å; N608-Y612 WeakPolarHBondContact O-CB 3.46Å; N608-Y612 PolarHBondContact O-N 2.92Å; N608-C697 HydrophobicContact CB-CB 4.35Å; N608-P698 PolarHBondContact ND2-O 3.04Å; N608-P698 WeakPolarHBondContact OD1-CD 3.38Å
609	L	94.7	Very high	91.5	Very high	5 Å²	5	34.4 Å²	34.4	3%	0.026	18%	0.179	C	C	.	.	H	α-helix	trans	-57.6	-54.1	179	175.7	59.8	0	0	0	111.9	Q556 K559 A560 Y604 T605 D606 K607 N611 Y612 L613	Q556-L609 HydrophobicContact CB-CD1 3.72Å; Q556-L609 HydrophobicContact CG-CD1 3.64Å; K559-L609 HydrophobicContact CB-CD2 3.98Å; K559-L609 HydrophobicContact CD-CD2 3.81Å; K559-L609 HydrophobicContact CG-CD2 3.85Å; A560-L609 HydrophobicContact CB-CD2 4.26Å; A560-L609 HydrophobicContact CB-CG 4.26Å; Y604-L609 WeakPolarHBondContact O-CB 3.03Å; Y604-L609 WeakPolarHBondContact O-CD1 3.31Å; T605-L609 PolarHBondContact O-N 3.09Å; T605-L609 VanDerWaalsContact O-N 3.1Å; D606-L609 WeakPolarHBondContact O-CB 3.34Å; K607-L609 VanDerWaalsContact C-N 3.3Å; L609-N611 VanDerWaalsContact C-N 3.32Å; L609-N611 PolarHBondContact O-N 3.29Å; L609-Y612 PolarHBondContact O-N 2.82Å; L609-L613 HydrophobicContact CD1-CD1 4.15Å; L609-L613 HydrophobicContact CD1-CG 4.16Å; L609-L613 HydrophobicContact CG-CD1 4.42Å; L609-L613 WeakPolarHBondContact O-CG 3.12Å; L609-L613 PolarHBondContact O-N 2.04Å
610	E	94.9	Very high	91.2	Very high	49 Å²	49	34.5 Å²	34.5	23%	0.229	18%	0.177	C	C	.	.	H	α-helix	trans	-61.7	-42.5	-177.7	-176.1	164.4	-164.4	0	0	111.2	K565 Y566 Y612 L613 L614	K565-E610 WeakPolarHBondContact CD-OE1 3.38Å; K565-E610 IonicContact NZ-OE1 3.39Å; K565-E610 PolarHBondContact NZ-OE1 3.34Å; K565-E610 IonicContact NZ-OE2 2.72Å; K565-E610 PolarHBondContact NZ-OE2 3.38Å; Y566-E610 HydrophobicContact CE2-CG 4.28Å; Y566-E610 VanDerWaalsContact CE2-OE1 3.26Å; Y566-E610 WeakPolarHBondContact CE2-OE1 3Å; Y566-E610 VanDerWaalsContact CZ-OE1 3.32Å; Y566-E610 PolarHBondContact OH-OE1 3.36Å; E610-Y612 PolarHBondContact O-N 2.82Å; E610-L613 PolarHBondContact O-N 3.09Å; E610-L614 HydrophobicContact CG-CD1 4.06Å; E610-L614 HydrophobicContact CG-CG 4.46Å; E610-L614 WeakPolarHBondContact O-CB 3.35Å; E610-L614 VanDerWaalsContact O-CG 3.25Å; E610-L614 WeakPolarHBondContact O-CG 3.48Å; E610-L614 PolarHBondContact O-N 2.88Å
611	N	95.4	Very high	90.1	Very high	45 Å²	45	37 Å²	37	24%	0.241	19%	0.186	C	C	.	.	H	α-helix	trans	-60.9	-42.3	176.3	-75.8	-9.2	0	0	0	112.8	N608 L609 L614 L615 I696	N608-N611 PolarHBondContact O-N 3.14Å; L609-N611 VanDerWaalsContact C-N 3.32Å; L609-N611 PolarHBondContact O-N 3.29Å; N611-L614 PolarHBondContact O-N 3.28Å; N611-L615 PolarHBondContact O-N 3.38Å; N611-I696 HydrophobicContact CB-CG2 3.78Å; N611-I696 PolarHBondContact ND2-O 3.45Å
612	Y	96.7	Very high	88.9	Confident	5 Å²	5	37.2 Å²	37.2	2%	0.02	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-43.1	175.9	168.7	-104	0	0	0	112	W584 Y604 N608 L609 E610 L614 L615 N616 L690 C692	W584-Y612 HydrophobicContact CH2-CD1 4.47Å; W584-Y612 AromaticContact CH2-CE1 3.69Å; W584-Y612 HydrophobicContact CH2-CE1 3.69Å; W584-Y612 HydrophobicContact CH2-CE2 4.43Å; W584-Y612 AromaticContact CH2-CZ 3.65Å; W584-Y612 AromaticContact CZ2-CE1 3.63Å; W584-Y612 HydrophobicContact CZ2-CE1 3.63Å; W584-Y612 AromaticContact CZ2-CZ 3.71Å; W584-Y612 WeakPolarHBondContact CZ2-OH 3.13Å; Y604-Y612 HydrophobicContact CD1-CG 4.46Å; Y604-Y612 HydrophobicContact CD2-CD1 4.11Å; Y604-Y612 AromaticContact CD2-CD2 3.45Å; Y604-Y612 HydrophobicContact CD2-CD2 3.45Å; Y604-Y612 VanDerWaalsContact CD2-CD2 3.45Å; Y604-Y612 HydrophobicContact CD2-CE1 4.4Å; Y604-Y612 AromaticContact CD2-CE2 3.77Å; Y604-Y612 HydrophobicContact CD2-CE2 3.77Å; Y604-Y612 AromaticContact CD2-CG 3.64Å; Y604-Y612 HydrophobicContact CD2-CG 3.64Å; Y604-Y612 AromaticContact CE2-CD2 3.52Å; Y604-Y612 HydrophobicContact CE2-CD2 3.52Å; Y604-Y612 AromaticContact CE2-CE2 3.68Å; Y604-Y612 HydrophobicContact CE2-CE2 3.68Å; Y604-Y612 HydrophobicContact CE2-CG 4.18Å; Y604-Y612 HydrophobicContact CG-CD1 4.38Å; Y604-Y612 AromaticContact CG-CD2 3.99Å; Y604-Y612 HydrophobicContact CG-CD2 3.99Å; Y604-Y612 AromaticContact CG-CG 3.81Å; Y604-Y612 HydrophobicContact CG-CG 3.81Å; N608-Y612 WeakPolarHBondContact O-CB 3.46Å; N608-Y612 PolarHBondContact O-N 2.92Å; L609-Y612 PolarHBondContact O-N 2.82Å; E610-Y612 PolarHBondContact O-N 2.82Å; Y612-L614 VanDerWaalsContact C-N 3.34Å; Y612-L615 WeakPolarHBondContact O-CB 3.33Å; Y612-L615 PolarHBondContact O-N 2.73Å; Y612-N616 VanDerWaalsContact CE2-ND2 3.31Å; Y612-N616 WeakPolarHBondContact CE2-ND2 3.48Å; Y612-N616 PolarHBondContact O-N 3.18Å; Y612-N616 PolarHBondContact O-ND2 3.21Å; Y612-L690 WeakPolarHBondContact CE2-O 3.48Å; Y612-C692 HydrophobicContact CD2-CB 4.35Å
613	L	97.6	Very high	88.1	Confident	3 Å²	3	33.2 Å²	33.2	2%	0.016	17%	0.165	C	C	.	.	H	α-helix	trans	-67.8	-35.7	177.6	-61.1	-174.6	0	0	0	111.9	Q556 A560 M562 Y576 L609 E610 N616 H617	Q556-L613 HydrophobicContact CB-CD1 4.37Å; Q556-L613 HydrophobicContact CB-CD2 4.28Å; Q556-L613 WeakPolarHBondContact O-CD1 3.15Å; A560-L613 HydrophobicContact CB-CD1 3.59Å; M562-L613 HydrophobicContact CE-CB 3.97Å; M562-L613 HydrophobicContact CG-CB 4.37Å; M562-L613 HydrophobicContact CG-CD1 3.64Å; M562-L613 HydrophobicContact SD-CB 3.79Å; M562-L613 HydrophobicContact SD-CD1 3.97Å; Y576-L613 WeakPolarHBondContact OH-CD2 3.37Å; L609-L613 HydrophobicContact CD1-CD1 4.15Å; L609-L613 HydrophobicContact CD1-CG 4.16Å; L609-L613 HydrophobicContact CG-CD1 4.42Å; L609-L613 WeakPolarHBondContact O-CG 3.12Å; L609-L613 PolarHBondContact O-N 2.04Å; E610-L613 PolarHBondContact O-N 3.09Å; L613-N616 CarbonylContact O-C 3.59Å; L613-N616 WeakPolarHBondContact O-CA 3.41Å; L613-N616 PolarHBondContact O-N 3.35Å; L613-N616 VanDerWaalsContact O-N 3.12Å; L613-H617 WeakPolarHBondContact O-CB 3.03Å; L613-H617 PolarHBondContact O-N 3.34Å; L613-H617 VanDerWaalsContact O-N 3.11Å
614	L	96.8	Very high	87.2	Confident	13 Å²	13	32.8 Å²	32.8	7%	0.068	16%	0.164	C	C	.	.	H	α-helix	trans	-71.2	-27.9	175.3	-69.4	174.8	0	0	0	113.7	M562 Y566 E610 N611 Y612 N616 H617 S641 V642	M562-L614 HydrophobicContact CE-CD2 4.14Å; Y566-L614 HydrophobicContact CD1-CD2 3.67Å; Y566-L614 HydrophobicContact CD2-CD2 3.91Å; Y566-L614 HydrophobicContact CE1-CD1 4.19Å; Y566-L614 HydrophobicContact CE1-CD2 3.55Å; Y566-L614 HydrophobicContact CE1-CG 4.47Å; Y566-L614 HydrophobicContact CE2-CD1 4.42Å; Y566-L614 HydrophobicContact CE2-CD2 3.8Å; Y566-L614 HydrophobicContact CE2-CG 4.37Å; Y566-L614 HydrophobicContact CG-CD2 3.86Å; E610-L614 HydrophobicContact CG-CD1 4.06Å; E610-L614 HydrophobicContact CG-CG 4.46Å; E610-L614 WeakPolarHBondContact O-CB 3.35Å; E610-L614 VanDerWaalsContact O-CG 3.25Å; E610-L614 WeakPolarHBondContact O-CG 3.48Å; E610-L614 PolarHBondContact O-N 2.88Å; N611-L614 PolarHBondContact O-N 3.28Å; Y612-L614 VanDerWaalsContact C-N 3.34Å; L614-N616 VanDerWaalsContact C-N 3.26Å; L614-H617 PolarHBondContact O-N 2.93Å; L614-S641 PolarHBondContact O-N 3.46Å; L614-V642 HydrophobicContact CB-CB 3.9Å; L614-V642 HydrophobicContact CB-CG2 4.47Å; L614-V642 PolarHBondContact O-N 2.93Å
615	L	97.5	Very high	86	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.9	-39.8	166.6	179	65.4	0	0	0	110.7	N611 Y612 H617 S640 V642 I644 L646 L690 C692	N611-L615 PolarHBondContact O-N 3.38Å; Y612-L615 WeakPolarHBondContact O-CB 3.33Å; Y612-L615 PolarHBondContact O-N 2.73Å; L615-H617 VanDerWaalsContact C-N 3.26Å; L615-H617 PolarHBondContact O-N 3.05Å; L615-S640 WeakPolarHBondContact O-CB 3.49Å; L615-V642 HydrophobicContact CB-CG1 3.96Å; L615-V642 HydrophobicContact CD1-CG1 4.07Å; L615-I644 HydrophobicContact CD1-CB 3.7Å; L615-I644 HydrophobicContact CD1-CG1 4.06Å; L615-I644 HydrophobicContact CD1-CG2 3.89Å; L615-L646 HydrophobicContact CD1-CD2 3.86Å; L615-L646 VanDerWaalsContact O-CD1 3.3Å; L615-L646 WeakPolarHBondContact O-CD1 3.43Å; L615-L690 HydrophobicContact CD2-CD2 4.28Å; L615-L690 HydrophobicContact CD2-CG 4.15Å; L615-L690 HydrophobicContact CG-CD2 4.02Å; L615-L690 HydrophobicContact CG-CG 4.43Å; L615-C692 HydrophobicContact CD2-CB 4.21Å
616	N	97.6	Very high	84.8	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.9	7.1	179.8	-76.2	-81.3	0	0	0	113.8	Y576 L577 Y612 L613 L614	Y576-N616 HydrophobicContact CE2-CB 4.49Å; L577-N616 HydrophobicContact CB-CB 4.06Å; L577-N616 WeakPolarHBondContact CB-O 3.48Å; L577-N616 PolarHBondContact N-O 3.04Å; L577-N616 WeakPolarHBondContact O-CB 3.48Å; Y612-N616 VanDerWaalsContact CE2-ND2 3.31Å; Y612-N616 WeakPolarHBondContact CE2-ND2 3.48Å; Y612-N616 PolarHBondContact O-N 3.18Å; Y612-N616 PolarHBondContact O-ND2 3.21Å; L613-N616 CarbonylContact O-C 3.59Å; L613-N616 WeakPolarHBondContact O-CA 3.41Å; L613-N616 PolarHBondContact O-N 3.35Å; L613-N616 VanDerWaalsContact O-N 3.12Å; L614-N616 VanDerWaalsContact C-N 3.26Å
617	H	96.8	Very high	83.4	Confident	1 Å²	1	31.2 Å²	31.2	1%	0.005	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	129	-178.3	174.5	-119.1	0	0	0	110.3	M562 F567 N574 L575 Y576 L613 L614 L615 S640 S641	M562-H617 HydrophobicContact CE-CB 4.43Å; F567-H617 AromaticContact CE1-CD2 3.9Å; N574-H617 PolarHBondContact OD1-CE1 3.1Å; N574-H617 PolarHBondContact OD1-NE2 3.2Å; L575-H617 WeakPolarHBondContact O-CA 3.35Å; Y576-H617 HydrophobicContact CD2-CB 4.45Å; L613-H617 WeakPolarHBondContact O-CB 3.03Å; L613-H617 PolarHBondContact O-N 3.34Å; L613-H617 VanDerWaalsContact O-N 3.11Å; L614-H617 PolarHBondContact O-N 2.93Å; L615-H617 VanDerWaalsContact C-N 3.26Å; L615-H617 PolarHBondContact O-N 3.05Å; H617-S640 CarbonylContact O-C 3.47Å; H617-S640 WeakPolarHBondContact O-CA 3.44Å; H617-S641 PolarHBondContact CE1-OG 3.15Å; H617-S641 WeakPolarHBondContact ND1-CB 3.45Å; H617-S641 PolarHBondContact ND1-OG 3.29Å; H617-S641 PolarHBondContact O-N 3.32Å; H617-S641 PolarHBondContact O-OG 2.84Å
618	I	93.6	Very high	82.1	Confident	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	114.8	-178.9	-58	154	0	0	0	109.8	L575 L577 L620 W623 F638 M639 L646 F648	L575-I618 HydrophobicContact CB-CB 4.28Å; L575-I618 HydrophobicContact CD2-CD1 3.77Å; L575-I618 HydrophobicContact CG-CD1 4.38Å; L575-I618 PolarHBondContact N-O 2.72Å; L575-I618 PolarHBondContact O-N 3.37Å; L577-I618 HydrophobicContact CD1-CD1 4.32Å; I618-L620 HydrophobicContact CG2-CB 4.36Å; I618-L620 HydrophobicContact CG2-CD1 3.86Å; I618-L620 HydrophobicContact CG2-CG 4.03Å; I618-L620 PolarHBondContact O-N 3.01Å; I618-L620 VanDerWaalsContact O-N 3.12Å; I618-W623 HydrophobicContact CB-CZ2 4.03Å; I618-W623 HydrophobicContact CD1-CH2 4.4Å; I618-W623 HydrophobicContact CD1-CZ2 4.44Å; I618-W623 HydrophobicContact CG2-CH2 4.26Å; I618-W623 HydrophobicContact CG2-CZ2 3.44Å; I618-W623 VanDerWaalsContact CG2-CZ2 3.44Å; I618-F638 HydrophobicContact CG2-CB 4.07Å; I618-M639 WeakPolarHBondContact CG2-O 3.17Å; I618-L646 HydrophobicContact CD1-CD1 3.92Å; I618-L646 HydrophobicContact CG1-CD1 4.18Å; I618-F648 HydrophobicContact CD1-CE2 3.71Å; I618-F648 HydrophobicContact CD1-CZ 3.36Å
619	P	89.8	Confident	80.6	Confident	50 Å²	50	26.8 Å²	26.8	33%	0.325	14%	0.136	S	C	.	.			trans	-90.7	67.3	-172.2	35.1	-33.5	0	0	0	112.4	K573 S641	K573-P619 CarbonylContact O-C 3.37Å; K573-P619 VanDerWaalsContact O-C 3.28Å; K573-P619 WeakPolarHBondContact O-CA 2.89Å; P619-S641 WeakPolarHBondContact CD-OG 3.46Å
620	L	78.7	Confident	79.8	Confident	54 Å²	54	27.2 Å²	27.2	28%	0.283	14%	0.138	S	C	.	.			trans	-128.5	162	-178	-67.3	173.9	0	0	0	112.3	K573 I618 W623 F638	K573-L620 CarbonylContact C-O 3.53Å; K573-L620 WeakPolarHBondContact CA-O 3.47Å; K573-L620 PolarHBondContact O-N 2.87Å; I618-L620 HydrophobicContact CG2-CB 4.36Å; I618-L620 HydrophobicContact CG2-CD1 3.86Å; I618-L620 HydrophobicContact CG2-CG 4.03Å; I618-L620 PolarHBondContact O-N 3.01Å; I618-L620 VanDerWaalsContact O-N 3.12Å; L620-W623 HydrophobicContact CB-CZ2 3.9Å; L620-W623 HydrophobicContact CD1-CZ2 4.14Å; L620-W623 PolarHBondContact O-NE1 3.15Å; L620-F638 HydrophobicContact CD1-CB 4.18Å; L620-F638 HydrophobicContact CD1-CD1 3.51Å; L620-F638 HydrophobicContact CD1-CE1 4.35Å; L620-F638 HydrophobicContact CD1-CG 4.24Å
621	Y	68	Low	79	Confident	72 Å²	72	30 Å²	30	28%	0.282	15%	0.15	S	C	.	.	S	Bend	trans	-96	12.7	-174.7	53.5	-97.1	0	0	0	114.2	H478	H478-Y621 HydrophobicContact CB-CD1 4.13Å; H478-Y621 HydrophobicContact CB-CD2 4.2Å; H478-Y621 HydrophobicContact CB-CE1 4.03Å; H478-Y621 HydrophobicContact CB-CE2 4.14Å; H478-Y621 HydrophobicContact CB-CG 4.2Å; H478-Y621 AromaticContact CD2-CE2 3.47Å; H478-Y621 VanDerWaalsContact CD2-CE2 3.47Å; H478-Y621 WeakPolarHBondContact CD2-CE2 3.38Å; H478-Y621 AromaticContact CD2-CZ 3.26Å; H478-Y621 PolarHBondContact CD2-OH 3.17Å; H478-Y621 AromaticContact CE1-CD2 3.75Å; H478-Y621 AromaticContact CE1-CE2 3.09Å; H478-Y621 WeakPolarHBondContact CE1-CE2 3.5Å; H478-Y621 AromaticContact CE1-CZ 3.75Å; H478-Y621 AromaticContact CG-CD2 3.71Å; H478-Y621 AromaticContact CG-CE1 3.93Å; H478-Y621 AromaticContact CG-CE2 3.3Å; H478-Y621 AromaticContact CG-CZ 3.38Å; H478-Y621 AromaticContact ND1-CD2 3.31Å; H478-Y621 VanDerWaalsContact ND1-CD2 3.31Å; H478-Y621 WeakPolarHBondContact ND1-CD2 3.41Å; H478-Y621 AromaticContact ND1-CE2 3.05Å; H478-Y621 WeakPolarHBondContact ND1-CE2 3.3Å; H478-Y621 AromaticContact ND1-CZ 3.68Å; H478-Y621 AromaticContact NE2-CE2 3.31Å; H478-Y621 VanDerWaalsContact NE2-CE2 3.31Å; H478-Y621 WeakPolarHBondContact NE2-CE2 2.9Å; H478-Y621 AromaticContact NE2-CZ 3.48Å; H478-Y621 PolarHBondContact NE2-OH 3.19Å; H478-Y621 VanDerWaalsContact NE2-OH 3.14Å
622	L	65.2	Low	78.6	Confident	37 Å²	37	33.9 Å²	33.9	19%	0.194	17%	0.165	C	C	.	.			trans	-98.9	12.3	-169.4	-64.6	174.1	0	0	0	114.5	Y629 F638	L622-Y629 HydrophobicContact CB-CE2 4.31Å; L622-Y629 HydrophobicContact CD2-CE2 3.75Å; L622-Y629 HydrophobicContact CG-CE2 4.47Å; L622-F638 HydrophobicContact CD1-CE1 4.08Å
623	W	67.6	Low	78.2	Confident	5 Å²	5	38 Å²	38	2%	0.019	19%	0.187	C	C	.	.			trans	-104.1	101.9	-166.4	-44.3	119.1	0	0	0	112	Y492 T494 L575 I618 L620 F638 F648 I682 W684	Y492-W623 WeakPolarHBondContact CE1-O 3.49Å; T494-W623 WeakPolarHBondContact CG2-O 3.34Å; L575-W623 HydrophobicContact CB-CB 4.38Å; L575-W623 VanDerWaalsContact CB-CD1 3.5Å; L575-W623 HydrophobicContact CB-CD2 3.52Å; L575-W623 VanDerWaalsContact CB-CE2 3.46Å; L575-W623 HydrophobicContact CB-CE3 4.2Å; L575-W623 HydrophobicContact CB-CG 3.57Å; L575-W623 HydrophobicContact CB-CZ2 4.12Å; L575-W623 HydrophobicContact CD2-CD2 3.68Å; L575-W623 HydrophobicContact CD2-CE3 3.45Å; L575-W623 VanDerWaalsContact CD2-CE3 3.45Å; L575-W623 HydrophobicContact CD2-CG 4.49Å; L575-W623 HydrophobicContact CD2-CH2 3.62Å; L575-W623 HydrophobicContact CD2-CZ2 3.88Å; L575-W623 HydrophobicContact CD2-CZ3 3.4Å; L575-W623 HydrophobicContact CG-CD2 4.13Å; L575-W623 HydrophobicContact CG-CE3 4.31Å; L575-W623 HydrophobicContact CG-CG 4.47Å; I618-W623 HydrophobicContact CB-CZ2 4.03Å; I618-W623 HydrophobicContact CD1-CH2 4.4Å; I618-W623 HydrophobicContact CD1-CZ2 4.44Å; I618-W623 HydrophobicContact CG2-CH2 4.26Å; I618-W623 HydrophobicContact CG2-CZ2 3.44Å; I618-W623 VanDerWaalsContact CG2-CZ2 3.44Å; L620-W623 HydrophobicContact CB-CZ2 3.9Å; L620-W623 HydrophobicContact CD1-CZ2 4.14Å; L620-W623 PolarHBondContact O-NE1 3.15Å; W623-F638 HydrophobicContact CH2-CB 4.31Å; W623-F638 AromaticContact CH2-CD1 3.9Å; W623-F638 HydrophobicContact CH2-CD1 3.9Å; W623-F638 AromaticContact CH2-CD2 3.68Å; W623-F638 HydrophobicContact CH2-CD2 3.68Å; W623-F638 HydrophobicContact CH2-CE1 4.06Å; W623-F638 AromaticContact CH2-CE2 3.86Å; W623-F638 HydrophobicContact CH2-CE2 3.86Å; W623-F638 AromaticContact CH2-CG 3.69Å; W623-F638 HydrophobicContact CH2-CG 3.69Å; W623-F638 HydrophobicContact CH2-CZ 4.03Å; W623-F638 HydrophobicContact CZ2-CD1 4.29Å; W623-F638 HydrophobicContact CZ2-CG 4.29Å; W623-F638 HydrophobicContact CZ3-CD2 4.38Å; W623-F638 HydrophobicContact CZ3-CE2 4.18Å; W623-F638 HydrophobicContact CZ3-CZ 4.33Å; W623-F648 HydrophobicContact CH2-CZ 4.44Å; W623-F648 HydrophobicContact CZ3-CE1 4.4Å; W623-I682 VanDerWaalsContact C-CD1 3.5Å; W623-I682 HydrophobicContact CB-CB 4.07Å; W623-I682 HydrophobicContact CB-CD1 4.34Å; W623-I682 HydrophobicContact CB-CG1 4.06Å; W623-I682 WeakPolarHBondContact O-CD1 3.37Å; W623-I682 VanDerWaalsContact O-CG1 3.3Å; W623-I682 WeakPolarHBondContact O-CG1 3.27Å; W623-W684 HydrophobicContact CE3-CZ2 4.37Å; W623-W684 HydrophobicContact CZ3-CH2 4.47Å
624	G	66.2	Low	77.8	Confident	3 Å²	3	39.2 Å²	39.2	3%	0.031	20%	0.195	C	C	.	.			trans	168.9	179.5	177	0	0	0	0	0	114.5
625	G	65.9	Low	77.6	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	-157.5	176.8	0	0	0	0	0	115	H509 Y510 I627 N675	H509-G625 WeakPolarHBondContact O-CA 3.36Å; Y510-G625 WeakPolarHBondContact CE1-O 3.46Å; G625-I627 PolarHBondContact O-N 2.83Å; G625-N675 PolarHBondContact O-ND2 3.44Å
626	D	61.4	Low	77.2	Confident	53 Å²	53	45.5 Å²	45.5	28%	0.283	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	93.3	169.6	-77.2	-11.9	0	0	0	108.8	Y437 R531 G628	Y437-D626 PolarHBondContact OH-OD1 3.42Å; R531-D626 IonicContact CZ-OD2 2.85Å; R531-D626 VanDerWaalsContact NH1-CG 3.29Å; R531-D626 IonicContact NH1-OD1 3.63Å; R531-D626 IonicContact NH1-OD2 3.54Å; R531-D626 PolarHBondContact NH1-OD2 2.93Å; R531-D626 IonicContact NH2-OD2 3.38Å; R531-D626 PolarHBondContact NH2-OD2 3.11Å; D626-G628 WeakPolarHBondContact O-CA 3.14Å; D626-G628 PolarHBondContact O-N 3.08Å
627	I	53.8	Low	77	Confident	71 Å²	71	50.6 Å²	50.6	36%	0.364	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	41.4	38.7	175.3	57	170.1	0	0	0	114.6	G625 Y629 F630 M650 W674	G625-I627 PolarHBondContact O-N 2.83Å; I627-Y629 PolarHBondContact O-N 2.89Å; I627-F630 PolarHBondContact O-N 3.38Å; I627-F630 VanDerWaalsContact O-N 3.16Å; I627-M650 HydrophobicContact CD1-CE 4.16Å; I627-W674 HydrophobicContact CG2-CB 4.49Å; I627-W674 HydrophobicContact CG2-CD2 3.76Å; I627-W674 HydrophobicContact CG2-CE3 3.73Å; I627-W674 HydrophobicContact CG2-CG 4.14Å; I627-W674 HydrophobicContact CG2-CH2 4.32Å; I627-W674 HydrophobicContact CG2-CZ2 4.44Å; I627-W674 HydrophobicContact CG2-CZ3 4.01Å
628	G	54.8	Low	76.8	Confident	14 Å²	14	51.7 Å²	51.7	14%	0.144	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	10.5	-150.5	0	0	0	0	0	122	Y496 D626	Y496-G628 WeakPolarHBondContact CD2-O 3.04Å; Y496-G628 WeakPolarHBondContact CE2-O 3.49Å; Y496-G628 VanDerWaalsContact OH-CA 3.25Å; Y496-G628 WeakPolarHBondContact OH-CA 3.49Å; D626-G628 WeakPolarHBondContact O-CA 3.14Å; D626-G628 PolarHBondContact O-N 3.08Å
629	Y	60.2	Low	76.9	Confident	82 Å²	82	55.9 Å²	55.9	32%	0.322	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.3	-14	175.3	-93.6	-82.4	0	0	0	115.1	Y496 L622 I627 H636	Y496-Y629 VanDerWaalsContact CB-OH 3.29Å; Y496-Y629 WeakPolarHBondContact CB-OH 3.11Å; Y496-Y629 HydrophobicContact CD1-CE2 4.39Å; Y496-Y629 HydrophobicContact CD2-CE2 4.22Å; Y496-Y629 HydrophobicContact CG-CD2 4.34Å; Y496-Y629 AromaticContact CG-CE2 3.76Å; Y496-Y629 HydrophobicContact CG-CE2 3.76Å; L622-Y629 HydrophobicContact CB-CE2 4.31Å; L622-Y629 HydrophobicContact CD2-CE2 3.75Å; L622-Y629 HydrophobicContact CG-CE2 4.47Å; I627-Y629 PolarHBondContact O-N 2.89Å; Y629-H636 PolarHBondContact O-CE1 2.99Å; Y629-H636 VanDerWaalsContact O-CE1 3.26Å; Y629-H636 PolarHBondContact O-NE2 3.12Å
630	F	78	Confident	77.3	Confident	14 Å²	14	53.7 Å²	53.7	6%	0.061	26%	0.26	C	S	.	.			trans	-107.6	102.6	-164	-55.9	-86.4	0	0	0	109.4	I627 H636 F638 F648 M650 M656 W684	I627-F630 PolarHBondContact O-N 3.38Å; I627-F630 VanDerWaalsContact O-N 3.16Å; F630-H636 HydrophobicContact CD1-CB 4.37Å; F630-H636 AromaticContact CD1-CD2 3.15Å; F630-H636 WeakPolarHBondContact CD1-CD2 3.3Å; F630-H636 AromaticContact CD1-CG 3.77Å; F630-H636 AromaticContact CD1-NE2 3.6Å; F630-H636 HydrophobicContact CE1-CB 3.65Å; F630-H636 AromaticContact CE1-CD2 3.37Å; F630-H636 WeakPolarHBondContact CE1-CD2 3.37Å; F630-H636 AromaticContact CE1-CG 3.48Å; F630-H636 VanDerWaalsContact CE1-CG 3.48Å; F630-H636 HydrophobicContact CZ-CB 4.46Å; F630-F638 HydrophobicContact CE1-CE2 4.12Å; F630-F638 AromaticContact CZ-CE2 3.75Å; F630-F638 HydrophobicContact CZ-CE2 3.75Å; F630-F638 HydrophobicContact CZ-CZ 4.23Å; F630-F648 HydrophobicContact CD1-CB 4.42Å; F630-F648 HydrophobicContact CE1-CB 3.56Å; F630-F648 HydrophobicContact CE1-CD1 4.22Å; F630-F648 HydrophobicContact CE1-CG 4.21Å; F630-F648 HydrophobicContact CZ-CB 4.12Å; F630-F648 AromaticContact CZ-CD1 3.94Å; F630-F648 HydrophobicContact CZ-CD1 3.94Å; F630-F648 HydrophobicContact CZ-CG 4.28Å; F630-M650 HydrophobicContact CB-CB 4.32Å; F630-M650 HydrophobicContact CB-CE 3.34Å; F630-M650 HydrophobicContact CB-SD 4Å; F630-M650 HydrophobicContact CG-CE 4.44Å; F630-M650 WeakPolarHBondContact O-CE 3.42Å; F630-M656 HydrophobicContact CB-CE 3.72Å; F630-M656 HydrophobicContact CD1-CE 3.27Å; F630-M656 HydrophobicContact CD2-CE 3.97Å; F630-M656 HydrophobicContact CE1-CE 3.75Å; F630-M656 HydrophobicContact CE2-CE 4.43Å; F630-M656 HydrophobicContact CG-CE 3.37Å; F630-M656 HydrophobicContact CZ-CE 4.32Å; F630-W684 HydrophobicContact CD2-CH2 4.39Å; F630-W684 AromaticContact CE2-CH2 3.74Å; F630-W684 HydrophobicContact CE2-CH2 3.74Å; F630-W684 HydrophobicContact CZ-CH2 4.29Å
631	E	76.9	Confident	78.1	Confident	106 Å²	106	53.2 Å²	53.2	50%	0.495	26%	0.261	S	S	.	.			trans	-79.6	163.3	166.3	-55.8	-159	144.1	0	0	109.9	K498 N633 T634 M650	K498-E631 WeakPolarHBondContact CE-OE1 2.87Å; K498-E631 IonicContact NZ-OE1 2.9Å; K498-E631 PolarHBondContact NZ-OE1 3.06Å; E631-N633 PolarHBondContact O-N 3.21Å; E631-T634 HydrophobicContact CB-CG2 3.75Å; E631-T634 PolarHBondContact N-OG1 3.41Å; E631-T634 WeakPolarHBondContact O-CB 3.39Å; E631-T634 VanDerWaalsContact O-CG2 3.26Å; E631-T634 WeakPolarHBondContact O-CG2 3.43Å; E631-T634 PolarHBondContact O-N 2.72Å; E631-T634 PolarHBondContact O-OG1 3.38Å; E631-M650 VanDerWaalsContact C-SD 3.51Å; E631-M650 VanDerWaalsContact O-SD 3.39Å
632	K	86.8	Confident	79.4	Confident	128 Å²	128	51.3 Å²	51.3	56%	0.557	26%	0.257	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	139.4	171.2	-68.6	177.3	167	-153.5	0	109.8	T634 N652	K632-T634 VanDerWaalsContact C-N 3.33Å; K632-N652 VanDerWaalsContact CD-O 3.3Å; K632-N652 WeakPolarHBondContact CD-O 3.29Å; K632-N652 WeakPolarHBondContact CE-O 3.4Å; K632-N652 PolarHBondContact NZ-O 2.02Å; K632-N652 VanDerWaalsContact NZ-O 3.11Å
633	N	89.4	Confident	80.8	Confident	90 Å²	90	52.1 Å²	52.1	48%	0.481	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	31.1	-177.6	-49.1	-54.9	0	0	0	115.3	E631 M650 N652	E631-N633 PolarHBondContact O-N 3.21Å; N633-M650 WeakPolarHBondContact CA-O 3.33Å; N633-M650 PolarHBondContact N-O 2.87Å; N633-N652 PolarHBondContact ND2-OD1 2.78Å; N633-N652 WeakPolarHBondContact OD1-CA 3.38Å; N633-N652 PolarHBondContact OD1-N 2.76Å; N633-N652 PolarHBondContact OD1-ND2 3.35Å; N633-N652 PolarHBondContact OD1-OD1 3.09Å
634	T	89.4	Confident	82.2	Confident	30 Å²	30	53.1 Å²	53.1	18%	0.184	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	151.1	174	59.1	0	0	0	0	111.5	E631 K632 H636 M650	E631-T634 HydrophobicContact CB-CG2 3.75Å; E631-T634 PolarHBondContact N-OG1 3.41Å; E631-T634 WeakPolarHBondContact O-CB 3.39Å; E631-T634 VanDerWaalsContact O-CG2 3.26Å; E631-T634 WeakPolarHBondContact O-CG2 3.43Å; E631-T634 PolarHBondContact O-N 2.72Å; E631-T634 PolarHBondContact O-OG1 3.38Å; K632-T634 VanDerWaalsContact C-N 3.33Å; T634-H636 WeakPolarHBondContact CB-NE2 3.46Å; T634-H636 PolarHBondContact OG1-NE2 3.49Å; T634-M650 PolarHBondContact N-O 2.63Å; T634-M650 PolarHBondContact O-N 3.11Å
635	I	91.7	Very high	83.7	Confident	99 Å²	99	56.9 Å²	56.9	51%	0.508	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	126.5	173	-60.9	172	0	0	0	106.7	I647 F648 W649	I635-I647 HydrophobicContact CG2-CG2 3.62Å; I635-F648 WeakPolarHBondContact CA-O 3.49Å; I635-W649 HydrophobicContact CG1-CG 4.36Å
636	H	90	Very high	85.2	Confident	46 Å²	46	56.9 Å²	56.9	21%	0.213	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	157.6	173.4	-52.9	-116.3	0	0	0	109.5	Y629 F630 T634 F638 F648	Y629-H636 PolarHBondContact O-CE1 2.99Å; Y629-H636 VanDerWaalsContact O-CE1 3.26Å; Y629-H636 PolarHBondContact O-NE2 3.12Å; F630-H636 HydrophobicContact CD1-CB 4.37Å; F630-H636 AromaticContact CD1-CD2 3.15Å; F630-H636 WeakPolarHBondContact CD1-CD2 3.3Å; F630-H636 AromaticContact CD1-CG 3.77Å; F630-H636 AromaticContact CD1-NE2 3.6Å; F630-H636 HydrophobicContact CE1-CB 3.65Å; F630-H636 AromaticContact CE1-CD2 3.37Å; F630-H636 WeakPolarHBondContact CE1-CD2 3.37Å; F630-H636 AromaticContact CE1-CG 3.48Å; F630-H636 VanDerWaalsContact CE1-CG 3.48Å; F630-H636 HydrophobicContact CZ-CB 4.46Å; T634-H636 WeakPolarHBondContact CB-NE2 3.46Å; T634-H636 PolarHBondContact OG1-NE2 3.49Å; H636-F638 HydrophobicContact CB-CD2 4.47Å; H636-F638 HydrophobicContact CB-CE2 3.62Å; H636-F638 HydrophobicContact CB-CZ 3.99Å; H636-F648 HydrophobicContact CB-CB 4.45Å; H636-F648 PolarHBondContact N-O 2.79Å; H636-F648 PolarHBondContact O-N 3.04Å
637	K	93.4	Very high	86.9	Confident	108 Å²	108	55.5 Å²	55.5	47%	0.47	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	130.9	-174.6	-75.3	168.2	160.1	-131.6	0	109.5	E645 L646 I647	K637-E645 HydrophobicContact CB-CG 3.9Å; K637-E645 VanDerWaalsContact CD-OE2 3.24Å; K637-E645 WeakPolarHBondContact CD-OE2 3.4Å; K637-E645 WeakPolarHBondContact CE-OE2 3.29Å; K637-E645 HydrophobicContact CG-CG 4.27Å; K637-E645 IonicContact NZ-OE2 3.38Å; K637-E645 PolarHBondContact NZ-OE2 2.82Å; K637-L646 CarbonylContact C-O 3.59Å; K637-L646 VanDerWaalsContact CA-O 3.28Å; K637-L646 WeakPolarHBondContact CA-O 3.46Å; K637-I647 HydrophobicContact CG-CG1 4.28Å
638	F	93.1	Very high	88.8	Confident	24 Å²	24	52.1 Å²	52.1	11%	0.105	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	141.1	179.6	-57.3	-79.3	0	0	0	110.9	I618 L620 L622 W623 F630 H636 S640 L646 F648	I618-F638 HydrophobicContact CG2-CB 4.07Å; L620-F638 HydrophobicContact CD1-CB 4.18Å; L620-F638 HydrophobicContact CD1-CD1 3.51Å; L620-F638 HydrophobicContact CD1-CE1 4.35Å; L620-F638 HydrophobicContact CD1-CG 4.24Å; L622-F638 HydrophobicContact CD1-CE1 4.08Å; W623-F638 HydrophobicContact CH2-CB 4.31Å; W623-F638 AromaticContact CH2-CD1 3.9Å; W623-F638 HydrophobicContact CH2-CD1 3.9Å; W623-F638 AromaticContact CH2-CD2 3.68Å; W623-F638 HydrophobicContact CH2-CD2 3.68Å; W623-F638 HydrophobicContact CH2-CE1 4.06Å; W623-F638 AromaticContact CH2-CE2 3.86Å; W623-F638 HydrophobicContact CH2-CE2 3.86Å; W623-F638 AromaticContact CH2-CG 3.69Å; W623-F638 HydrophobicContact CH2-CG 3.69Å; W623-F638 HydrophobicContact CH2-CZ 4.03Å; W623-F638 HydrophobicContact CZ2-CD1 4.29Å; W623-F638 HydrophobicContact CZ2-CG 4.29Å; W623-F638 HydrophobicContact CZ3-CD2 4.38Å; W623-F638 HydrophobicContact CZ3-CE2 4.18Å; W623-F638 HydrophobicContact CZ3-CZ 4.33Å; F630-F638 HydrophobicContact CE1-CE2 4.12Å; F630-F638 AromaticContact CZ-CE2 3.75Å; F630-F638 HydrophobicContact CZ-CE2 3.75Å; F630-F638 HydrophobicContact CZ-CZ 4.23Å; H636-F638 HydrophobicContact CB-CD2 4.47Å; H636-F638 HydrophobicContact CB-CE2 3.62Å; H636-F638 HydrophobicContact CB-CZ 3.99Å; F638-S640 PolarHBondContact O-N 3.12Å; F638-L646 PolarHBondContact N-O 2.99Å; F638-L646 PolarHBondContact O-N 3.42Å; F638-F648 HydrophobicContact CB-CE2 4.31Å; F638-F648 AromaticContact CD2-CD2 3.54Å; F638-F648 HydrophobicContact CD2-CD2 3.54Å; F638-F648 AromaticContact CD2-CE2 3.72Å; F638-F648 HydrophobicContact CD2-CE2 3.72Å; F638-F648 HydrophobicContact CD2-CG 4.03Å; F638-F648 HydrophobicContact CD2-CZ 4.33Å; F638-F648 HydrophobicContact CE2-CD2 4.18Å; F638-F648 HydrophobicContact CE2-CG 4.21Å; F638-F648 HydrophobicContact CG-CE2 4.48Å
639	M	95.7	Very high	90.7	Very high	87 Å²	87	54.6 Å²	54.6	43%	0.429	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	121.4	177	-69.4	-51	-44.7	0	0	111.5	I618 G643 I644 E645	I618-M639 WeakPolarHBondContact CG2-O 3.17Å; M639-G643 WeakPolarHBondContact CE-O 3.29Å; M639-I644 WeakPolarHBondContact CE-O 3.37Å; M639-E645 HydrophobicContact CE-CB 4.33Å; M639-E645 VanDerWaalsContact SD-CA 3.6Å; M639-E645 HydrophobicContact SD-CB 3.58Å; M639-E645 VanDerWaalsContact SD-CB 3.58Å; M639-E645 HydrophobicContact SD-CG 3.99Å
640	S	96.5	Very high	92.2	Very high	5 Å²	5	50.9 Å²	50.9	4%	0.035	26%	0.262	C	S	.	.			trans	-67	160.7	165.1	61.3	0	0	0	0	111.6	L615 H617 F638 V642 G643 I644	L615-S640 WeakPolarHBondContact O-CB 3.49Å; H617-S640 CarbonylContact O-C 3.47Å; H617-S640 WeakPolarHBondContact O-CA 3.44Å; F638-S640 PolarHBondContact O-N 3.12Å; S640-V642 PolarHBondContact O-N 3.49Å; S640-G643 PolarHBondContact O-N 3.24Å; S640-I644 WeakPolarHBondContact CB-O 3.45Å; S640-I644 PolarHBondContact N-O 2.79Å; S640-I644 PolarHBondContact OG-N 2.79Å; S640-I644 VanDerWaalsContact OG-N 3.08Å; S640-I644 PolarHBondContact OG-O 2.61Å
641	S	96.2	Very high	92.9	Very high	44 Å²	44	51 Å²	51	31%	0.308	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.9	-19.8	178.4	-70	0	0	0	0	113.8	L614 H617 P619 G643	L614-S641 PolarHBondContact O-N 3.46Å; H617-S641 PolarHBondContact CE1-OG 3.15Å; H617-S641 WeakPolarHBondContact ND1-CB 3.45Å; H617-S641 PolarHBondContact ND1-OG 3.29Å; H617-S641 PolarHBondContact O-N 3.32Å; H617-S641 PolarHBondContact O-OG 2.84Å; P619-S641 WeakPolarHBondContact CD-OG 3.46Å; S641-G643 VanDerWaalsContact C-N 3.32Å
642	V	95.1	Very high	93.6	Very high	32 Å²	32	51 Å²	51	19%	0.194	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88.8	3.2	174	83.4	0	0	0	0	113.3	L614 L615 S640 I644 I696	L614-V642 HydrophobicContact CB-CB 3.9Å; L614-V642 HydrophobicContact CB-CG2 4.47Å; L614-V642 PolarHBondContact O-N 2.93Å; L615-V642 HydrophobicContact CB-CG1 3.96Å; L615-V642 HydrophobicContact CD1-CG1 4.07Å; S640-V642 PolarHBondContact O-N 3.49Å; V642-I644 HydrophobicContact CG1-CB 4.37Å; V642-I644 HydrophobicContact CG1-CG1 3.89Å; V642-I696 HydrophobicContact CG1-CG2 4.16Å; V642-I696 HydrophobicContact CG2-CD1 4.27Å; V642-I696 HydrophobicContact CG2-CG2 3.59Å
643	G	95.2	Very high	93.9	Very high	53 Å²	53	51 Å²	51	55%	0.546	27%	0.272	S	S	.	.	S	Bend	trans	81.8	22.1	176	0	0	0	0	0	114.8	M639 S640 S641	M639-G643 WeakPolarHBondContact CE-O 3.29Å; S640-G643 PolarHBondContact O-N 3.24Å; S641-G643 VanDerWaalsContact C-N 3.32Å
644	I	96.7	Very high	93.8	Very high	26 Å²	26	48.1 Å²	48.1	13%	0.133	26%	0.264	C	S	.	.			trans	-100.6	130	170.5	-59.8	-64	0	0	0	109.9	L615 M639 S640 V642 L646 Y660 P693 I696	L615-I644 HydrophobicContact CD1-CB 3.7Å; L615-I644 HydrophobicContact CD1-CG1 4.06Å; L615-I644 HydrophobicContact CD1-CG2 3.89Å; M639-I644 WeakPolarHBondContact CE-O 3.37Å; S640-I644 WeakPolarHBondContact CB-O 3.45Å; S640-I644 PolarHBondContact N-O 2.79Å; S640-I644 PolarHBondContact OG-N 2.79Å; S640-I644 VanDerWaalsContact OG-N 3.08Å; S640-I644 PolarHBondContact OG-O 2.61Å; V642-I644 HydrophobicContact CG1-CB 4.37Å; V642-I644 HydrophobicContact CG1-CG1 3.89Å; I644-L646 HydrophobicContact CG2-CD2 4.32Å; I644-L646 PolarHBondContact O-N 2.87Å; I644-Y660 HydrophobicContact CG2-CD1 4.24Å; I644-Y660 HydrophobicContact CG2-CD2 4.39Å; I644-Y660 HydrophobicContact CG2-CG 3.91Å; I644-P693 HydrophobicContact CD1-CG 4.2Å; I644-P693 HydrophobicContact CG1-CG 4.21Å; I644-I696 HydrophobicContact CD1-CD1 4.3Å; I644-I696 HydrophobicContact CD1-CG1 3.97Å; I644-I696 HydrophobicContact CG1-CD1 4.47Å; I644-I696 HydrophobicContact CG1-CG1 4Å
645	E	97.3	Very high	94	Very high	82 Å²	82	49.6 Å²	49.6	38%	0.383	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	106.8	176.8	-170.1	-178.5	-112.6	0	0	109.6	K637 M639 Y660	K637-E645 HydrophobicContact CB-CG 3.9Å; K637-E645 VanDerWaalsContact CD-OE2 3.24Å; K637-E645 WeakPolarHBondContact CD-OE2 3.4Å; K637-E645 WeakPolarHBondContact CE-OE2 3.29Å; K637-E645 HydrophobicContact CG-CG 4.27Å; K637-E645 IonicContact NZ-OE2 3.38Å; K637-E645 PolarHBondContact NZ-OE2 2.82Å; M639-E645 HydrophobicContact CE-CB 4.33Å; M639-E645 VanDerWaalsContact SD-CA 3.6Å; M639-E645 HydrophobicContact SD-CB 3.58Å; M639-E645 VanDerWaalsContact SD-CB 3.58Å; M639-E645 HydrophobicContact SD-CG 3.99Å; E645-Y660 WeakPolarHBondContact O-CB 3.38Å
646	L	97.5	Very high	94.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	133.3	176	-63.8	-173.7	0	0	0	110.6	L577 L615 I618 K637 F638 I644 F648 I658 G659 Y660 L690	L577-L646 HydrophobicContact CD1-CD1 3.94Å; L615-L646 HydrophobicContact CD1-CD2 3.86Å; L615-L646 VanDerWaalsContact O-CD1 3.3Å; L615-L646 WeakPolarHBondContact O-CD1 3.43Å; I618-L646 HydrophobicContact CD1-CD1 3.92Å; I618-L646 HydrophobicContact CG1-CD1 4.18Å; K637-L646 CarbonylContact C-O 3.59Å; K637-L646 VanDerWaalsContact CA-O 3.28Å; K637-L646 WeakPolarHBondContact CA-O 3.46Å; F638-L646 PolarHBondContact N-O 2.99Å; F638-L646 PolarHBondContact O-N 3.42Å; I644-L646 HydrophobicContact CG2-CD2 4.32Å; I644-L646 PolarHBondContact O-N 2.87Å; L646-F648 HydrophobicContact CB-CD2 4.28Å; L646-F648 HydrophobicContact CB-CE2 3.76Å; L646-I658 HydrophobicContact CB-CG2 4.37Å; L646-I658 HydrophobicContact CD1-CG2 4.4Å; L646-G659 CarbonylContact C-O 3.57Å; L646-G659 WeakPolarHBondContact CA-O 3.22Å; L646-Y660 HydrophobicContact CD2-CD1 4.14Å; L646-L690 HydrophobicContact CD1-CD2 4.04Å; L646-L690 HydrophobicContact CD2-CD2 3.77Å
647	I	96.9	Very high	94.4	Very high	24 Å²	24	44.9 Å²	44.9	12%	0.123	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	118.9	177.7	-54.9	170.8	0	0	0	108.3	I635 K637 I658 G659 W668	I635-I647 HydrophobicContact CG2-CG2 3.62Å; K637-I647 HydrophobicContact CG-CG1 4.28Å; I647-I658 WeakPolarHBondContact O-CA 3.49Å; I647-G659 PolarHBondContact N-O 2.83Å; I647-G659 PolarHBondContact O-N 2.93Å; I647-W668 HydrophobicContact CB-CH2 3.73Å; I647-W668 HydrophobicContact CB-CZ3 4.09Å; I647-W668 HydrophobicContact CD1-CH2 3.98Å; I647-W668 HydrophobicContact CD1-CZ2 4.36Å; I647-W668 HydrophobicContact CG1-CH2 4.45Å; I647-W668 HydrophobicContact CG2-CH2 3.71Å; I647-W668 HydrophobicContact CG2-CZ3 3.9Å
648	F	94.1	Very high	94.5	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	107.6	176.4	-74.2	-116.2	0	0	0	108	L575 L577 I618 W623 F630 I635 H636 F638 L646 M656 I658 W684	L575-F648 HydrophobicContact CD2-CE1 3.97Å; L575-F648 HydrophobicContact CD2-CZ 3.94Å; L577-F648 HydrophobicContact CD1-CZ 4.33Å; I618-F648 HydrophobicContact CD1-CE2 3.71Å; I618-F648 HydrophobicContact CD1-CZ 3.36Å; W623-F648 HydrophobicContact CH2-CZ 4.44Å; W623-F648 HydrophobicContact CZ3-CE1 4.4Å; F630-F648 HydrophobicContact CD1-CB 4.42Å; F630-F648 HydrophobicContact CE1-CB 3.56Å; F630-F648 HydrophobicContact CE1-CD1 4.22Å; F630-F648 HydrophobicContact CE1-CG 4.21Å; F630-F648 HydrophobicContact CZ-CB 4.12Å; F630-F648 AromaticContact CZ-CD1 3.94Å; F630-F648 HydrophobicContact CZ-CD1 3.94Å; F630-F648 HydrophobicContact CZ-CG 4.28Å; I635-F648 WeakPolarHBondContact CA-O 3.49Å; H636-F648 HydrophobicContact CB-CB 4.45Å; H636-F648 PolarHBondContact N-O 2.79Å; H636-F648 PolarHBondContact O-N 3.04Å; F638-F648 HydrophobicContact CB-CE2 4.31Å; F638-F648 AromaticContact CD2-CD2 3.54Å; F638-F648 HydrophobicContact CD2-CD2 3.54Å; F638-F648 AromaticContact CD2-CE2 3.72Å; F638-F648 HydrophobicContact CD2-CE2 3.72Å; F638-F648 HydrophobicContact CD2-CG 4.03Å; F638-F648 HydrophobicContact CD2-CZ 4.33Å; F638-F648 HydrophobicContact CE2-CD2 4.18Å; F638-F648 HydrophobicContact CE2-CG 4.21Å; F638-F648 HydrophobicContact CG-CE2 4.48Å; L646-F648 HydrophobicContact CB-CD2 4.28Å; L646-F648 HydrophobicContact CB-CE2 3.76Å; F648-M656 HydrophobicContact CB-CE 4.3Å; F648-M656 HydrophobicContact CB-SD 3.87Å; F648-M656 HydrophobicContact CD1-SD 4.27Å; F648-I658 HydrophobicContact CD1-CD1 3.94Å; F648-I658 HydrophobicContact CD1-CG1 3.99Å; F648-I658 HydrophobicContact CD2-CG2 4.38Å; F648-I658 HydrophobicContact CE1-CD1 3.52Å; F648-I658 HydrophobicContact CE1-CG1 4.04Å; F648-I658 HydrophobicContact CE2-CG2 4.14Å; F648-I658 HydrophobicContact CG-CG1 4.34Å; F648-I658 HydrophobicContact CZ-CD1 3.93Å; F648-I658 HydrophobicContact CZ-CG1 4.44Å; F648-I658 HydrophobicContact CZ-CG2 4.29Å; F648-W684 HydrophobicContact CD1-CH2 4.25Å; F648-W684 AromaticContact CD1-CZ3 3.68Å; F648-W684 HydrophobicContact CD1-CZ3 3.68Å; F648-W684 HydrophobicContact CE1-CE3 4.08Å; F648-W684 HydrophobicContact CE1-CH2 4.11Å; F648-W684 AromaticContact CE1-CZ3 3.44Å; F648-W684 HydrophobicContact CE1-CZ3 3.44Å; F648-W684 VanDerWaalsContact CE1-CZ3 3.44Å
649	W	94.4	Very high	94.8	Very high	67 Å²	67	38.6 Å²	38.6	25%	0.254	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	116.7	-177.2	173.4	45.7	0	0	0	111.3	I635 D651 M656 R657 W668	I635-W649 HydrophobicContact CG1-CG 4.36Å; W649-D651 HydrophobicContact CH2-CB 4.2Å; W649-D651 HydrophobicContact CZ2-CB 3.85Å; W649-M656 VanDerWaalsContact C-SD 3.53Å; W649-M656 PolarHBondContact N-SD 2.78Å; W649-M656 VanDerWaalsContact N-SD 3.4Å; W649-M656 WeakPolarHBondContact O-CA 3.47Å; W649-R657 HydrophobicContact CE3-CB 4.25Å; W649-R657 PolarHBondContact N-O 2.96Å; W649-R657 PolarHBondContact O-N 3.31Å; W649-W668 HydrophobicContact CB-CZ3 4.02Å
650	M	91.9	Very high	94.8	Very high	4 Å²	4	35.4 Å²	35.4	2%	0.02	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.7	119.6	170.8	-172.3	172.9	-74.8	0	0	110.2	I627 F630 E631 N633 T634 M656 W674	I627-M650 HydrophobicContact CD1-CE 4.16Å; F630-M650 HydrophobicContact CB-CB 4.32Å; F630-M650 HydrophobicContact CB-CE 3.34Å; F630-M650 HydrophobicContact CB-SD 4Å; F630-M650 HydrophobicContact CG-CE 4.44Å; F630-M650 WeakPolarHBondContact O-CE 3.42Å; E631-M650 VanDerWaalsContact C-SD 3.51Å; E631-M650 VanDerWaalsContact O-SD 3.39Å; N633-M650 WeakPolarHBondContact CA-O 3.33Å; N633-M650 PolarHBondContact N-O 2.87Å; T634-M650 PolarHBondContact N-O 2.63Å; T634-M650 PolarHBondContact O-N 3.11Å; M650-M656 HydrophobicContact CB-CE 3.95Å; M650-M656 HydrophobicContact CE-CE 4.05Å; M650-W674 HydrophobicContact CE-CH2 4.01Å; M650-W674 HydrophobicContact CE-CZ2 4.43Å
651	D	92.4	Very high	94.8	Very high	15 Å²	15	43.2 Å²	43.2	8%	0.08	24%	0.236	C	C	.	.			trans	-79.4	178.2	179.4	72.7	20.1	0	0	0	113.6	W649 N653 G654 I655 R657	W649-D651 HydrophobicContact CH2-CB 4.2Å; W649-D651 HydrophobicContact CZ2-CB 3.85Å; D651-N653 PolarHBondContact O-N 2.87Å; D651-N653 VanDerWaalsContact OD1-CA 3.31Å; D651-N653 WeakPolarHBondContact OD1-CA 3.16Å; D651-N653 WeakPolarHBondContact OD1-CB 3.4Å; D651-N653 PolarHBondContact OD1-N 2.91Å; D651-G654 PolarHBondContact O-N 3.29Å; D651-G654 PolarHBondContact OD1-N 2.77Å; D651-G654 VanDerWaalsContact OD1-N 3.08Å; D651-I655 PolarHBondContact N-O 3.36Å; D651-I655 PolarHBondContact OD1-N 3.08Å; D651-I655 WeakPolarHBondContact OD2-CB 3.4Å; D651-R657 IonicContact OD2-CZ 3.08Å; D651-R657 IonicContact OD2-NH1 2.78Å; D651-R657 PolarHBondContact OD2-NH1 3.19Å; D651-R657 IonicContact OD2-NH2 2.88Å
652	N	92.8	Very high	94.6	Very high	107 Å²	107	44.6 Å²	44.6	57%	0.572	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-25.4	176.8	-89	-55.1	0	0	0	114.1	K632 N633 G654	K632-N652 VanDerWaalsContact CD-O 3.3Å; K632-N652 WeakPolarHBondContact CD-O 3.29Å; K632-N652 WeakPolarHBondContact CE-O 3.4Å; K632-N652 PolarHBondContact NZ-O 2.02Å; K632-N652 VanDerWaalsContact NZ-O 3.11Å; N633-N652 PolarHBondContact ND2-OD1 2.78Å; N633-N652 WeakPolarHBondContact OD1-CA 3.38Å; N633-N652 PolarHBondContact OD1-N 2.76Å; N633-N652 PolarHBondContact OD1-ND2 3.35Å; N633-N652 PolarHBondContact OD1-OD1 3.09Å; N652-G654 VanDerWaalsContact C-N 3.34Å
653	N	92.2	Very high	94.7	Very high	127 Å²	127	43.8 Å²	43.8	68%	0.679	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.2	-179.6	-62.7	-36.1	0	0	0	112	D651 I655	D651-N653 PolarHBondContact O-N 2.87Å; D651-N653 VanDerWaalsContact OD1-CA 3.31Å; D651-N653 WeakPolarHBondContact OD1-CA 3.16Å; D651-N653 WeakPolarHBondContact OD1-CB 3.4Å; D651-N653 PolarHBondContact OD1-N 2.91Å; N653-I655 HydrophobicContact CB-CD1 4.23Å; N653-I655 HydrophobicContact CB-CG1 4.2Å
654	G	88.3	Confident	94.7	Very high	30 Å²	30	44.1 Å²	44.1	31%	0.309	25%	0.245	S	C	.	.	S	Bend	trans	80.7	16.9	-175.7	0	0	0	0	0	113.2	D651 N652	D651-G654 PolarHBondContact O-N 3.29Å; D651-G654 PolarHBondContact OD1-N 2.77Å; D651-G654 VanDerWaalsContact OD1-N 3.08Å; N652-G654 VanDerWaalsContact C-N 3.34Å
655	I	92.6	Very high	94.6	Very high	62 Å²	62	50.9 Å²	50.9	32%	0.318	27%	0.268	S	S	.	.			trans	-90.3	122.9	176.5	-55.5	172.8	0	0	0	108.2	D651 N653 R657 K670	D651-I655 PolarHBondContact N-O 3.36Å; D651-I655 PolarHBondContact OD1-N 3.08Å; D651-I655 WeakPolarHBondContact OD2-CB 3.4Å; N653-I655 HydrophobicContact CB-CD1 4.23Å; N653-I655 HydrophobicContact CB-CG1 4.2Å; I655-R657 VanDerWaalsContact CG2-NH1 3.33Å; I655-K670 HydrophobicContact CG2-CB 4.27Å; I655-K670 HydrophobicContact CG2-CD 3.84Å; I655-K670 HydrophobicContact CG2-CG 4.2Å
656	M	93.4	Very high	94.3	Very high	1 Å²	1	53.5 Å²	53.5	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	133.5	176	176.4	62.1	71.3	0	0	111.2	F630 F648 W649 M650 I658 K670 V671 W674	F630-M656 HydrophobicContact CB-CE 3.72Å; F630-M656 HydrophobicContact CD1-CE 3.27Å; F630-M656 HydrophobicContact CD2-CE 3.97Å; F630-M656 HydrophobicContact CE1-CE 3.75Å; F630-M656 HydrophobicContact CE2-CE 4.43Å; F630-M656 HydrophobicContact CG-CE 3.37Å; F630-M656 HydrophobicContact CZ-CE 4.32Å; F648-M656 HydrophobicContact CB-CE 4.3Å; F648-M656 HydrophobicContact CB-SD 3.87Å; F648-M656 HydrophobicContact CD1-SD 4.27Å; W649-M656 VanDerWaalsContact C-SD 3.53Å; W649-M656 PolarHBondContact N-SD 2.78Å; W649-M656 VanDerWaalsContact N-SD 3.4Å; W649-M656 WeakPolarHBondContact O-CA 3.47Å; M650-M656 HydrophobicContact CB-CE 3.95Å; M650-M656 HydrophobicContact CE-CE 4.05Å; M656-I658 HydrophobicContact CG-CG1 4.3Å; M656-K670 CarbonylContact O-C 3.35Å; M656-K670 VanDerWaalsContact O-CA 3.25Å; M656-K670 WeakPolarHBondContact O-CA 3.32Å; M656-V671 HydrophobicContact CB-CB 4.13Å; M656-V671 HydrophobicContact CB-CG2 4.01Å; M656-V671 HydrophobicContact CG-CB 4.23Å; M656-V671 HydrophobicContact CG-CG2 3.57Å; M656-V671 PolarHBondContact O-N 3.39Å; M656-W674 HydrophobicContact CB-CH2 3.14Å; M656-W674 HydrophobicContact CB-CZ2 3.19Å; M656-W674 HydrophobicContact CB-CZ3 4.3Å; M656-W674 HydrophobicContact CE-CH2 3.82Å; M656-W674 HydrophobicContact CE-CZ3 4.4Å; M656-W674 HydrophobicContact CG-CH2 3.46Å; M656-W674 VanDerWaalsContact CG-CH2 3.46Å; M656-W674 HydrophobicContact CG-CZ2 3.98Å; M656-W674 HydrophobicContact CG-CZ3 4.23Å
657	R	96.3	Very high	94.2	Very high	44 Å²	44	56.9 Å²	56.9	17%	0.166	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	141.4	170.2	-73.1	172.4	-170.6	74	-4.8	110	W649 D651 I655 W668 P669 K670	W649-R657 HydrophobicContact CE3-CB 4.25Å; W649-R657 PolarHBondContact N-O 2.96Å; W649-R657 PolarHBondContact O-N 3.31Å; D651-R657 IonicContact OD2-CZ 3.08Å; D651-R657 IonicContact OD2-NH1 2.78Å; D651-R657 PolarHBondContact OD2-NH1 3.19Å; D651-R657 IonicContact OD2-NH2 2.88Å; I655-R657 VanDerWaalsContact CG2-NH1 3.33Å; R657-W668 HydrophobicContact CB-CB 4.02Å; R657-W668 HydrophobicContact CB-CE3 4.17Å; R657-P669 VanDerWaalsContact CA-O 3.3Å; R657-P669 WeakPolarHBondContact CA-O 3.23Å; R657-K670 HydrophobicContact CG-CG 4.04Å
658	I	96.6	Very high	94.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	131.9	-179.3	-55	175.4	0	0	0	108.6	L577 L646 I647 F648 M656 W668 P669 V671 W684 L686 L690	L577-I658 HydrophobicContact CD1-CD1 3.77Å; L577-I658 HydrophobicContact CD1-CG2 4Å; L577-I658 HydrophobicContact CD2-CD1 3.57Å; L577-I658 HydrophobicContact CG-CD1 4.32Å; L646-I658 HydrophobicContact CB-CG2 4.37Å; L646-I658 HydrophobicContact CD1-CG2 4.4Å; I647-I658 WeakPolarHBondContact O-CA 3.49Å; F648-I658 HydrophobicContact CD1-CD1 3.94Å; F648-I658 HydrophobicContact CD1-CG1 3.99Å; F648-I658 HydrophobicContact CD2-CG2 4.38Å; F648-I658 HydrophobicContact CE1-CD1 3.52Å; F648-I658 HydrophobicContact CE1-CG1 4.04Å; F648-I658 HydrophobicContact CE2-CG2 4.14Å; F648-I658 HydrophobicContact CG-CG1 4.34Å; F648-I658 HydrophobicContact CZ-CD1 3.93Å; F648-I658 HydrophobicContact CZ-CG1 4.44Å; F648-I658 HydrophobicContact CZ-CG2 4.29Å; M656-I658 HydrophobicContact CG-CG1 4.3Å; I658-W668 WeakPolarHBondContact O-CB 3.5Å; I658-P669 PolarHBondContact N-O 3.39Å; I658-P669 VanDerWaalsContact N-O 3.12Å; I658-P669 VanDerWaalsContact O-CD 3.27Å; I658-P669 WeakPolarHBondContact O-CD 3.03Å; I658-V671 HydrophobicContact CD1-CG2 3.7Å; I658-V671 HydrophobicContact CG1-CG2 4.13Å; I658-W684 HydrophobicContact CD1-CE3 4.17Å; I658-W684 HydrophobicContact CD1-CZ3 4.4Å; I658-L686 HydrophobicContact CD1-CD2 4.21Å; I658-L690 HydrophobicContact CG2-CD2 4.46Å
659	G	97.8	Very high	94.4	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	-158.6	174.9	0	0	0	0	0	111	L646 I647	L646-G659 CarbonylContact C-O 3.57Å; L646-G659 WeakPolarHBondContact CA-O 3.22Å; I647-G659 PolarHBondContact N-O 2.83Å; I647-G659 PolarHBondContact O-N 2.93Å
660	Y	97.5	Very high	94.5	Very high	21 Å²	21	57.5 Å²	57.5	8%	0.082	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153	170.4	174.9	54.5	-94.9	0	0	0	109.4	I644 E645 L646 G662 L663 L690 K691 P693	I644-Y660 HydrophobicContact CG2-CD1 4.24Å; I644-Y660 HydrophobicContact CG2-CD2 4.39Å; I644-Y660 HydrophobicContact CG2-CG 3.91Å; E645-Y660 WeakPolarHBondContact O-CB 3.38Å; L646-Y660 HydrophobicContact CD2-CD1 4.14Å; Y660-G662 PolarHBondContact O-N 2.88Å; Y660-L663 HydrophobicContact CD1-CB 4.42Å; Y660-L663 HydrophobicContact CD1-CD2 4.41Å; Y660-L663 HydrophobicContact CD2-CB 4.14Å; Y660-L663 HydrophobicContact CE1-CB 4.11Å; Y660-L663 HydrophobicContact CE1-CD2 3.96Å; Y660-L663 HydrophobicContact CE2-CB 3.79Å; Y660-L663 HydrophobicContact CG-CB 4.43Å; Y660-L663 PolarHBondContact O-N 3.02Å; Y660-L690 HydrophobicContact CD1-CD1 4.14Å; Y660-L690 HydrophobicContact CE1-CD1 4.18Å; Y660-K691 WeakPolarHBondContact CE1-O 3.22Å; Y660-K691 VanDerWaalsContact CZ-O 3.32Å; Y660-K691 PolarHBondContact OH-O 3.09Å; Y660-P693 HydrophobicContact CD2-CG 4.39Å; Y660-P693 HydrophobicContact CE1-CG 4.1Å; Y660-P693 HydrophobicContact CE2-CB 4.27Å; Y660-P693 HydrophobicContact CE2-CG 3.72Å; Y660-P693 WeakPolarHBondContact OH-CD 3.48Å
661	E	95.4	Very high	94.6	Very high	168 Å²	168	57.8 Å²	57.8	79%	0.785	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	122.4	177.7	-174.1	168	-164.7	0	0	111.5
662	G	93.5	Very high	94.6	Very high	74 Å²	74	61.5 Å²	61.5	76%	0.763	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	104.2	-17.9	-175.6	0	0	0	0	0	114.4	Y660	Y660-G662 PolarHBondContact O-N 2.88Å
663	L	95.9	Very high	94.5	Very high	14 Å²	14	59.5 Å²	59.5	7%	0.073	31%	0.312	C	S	.	.	S	Bend	trans	-86.5	122.2	170.6	-174.4	65.7	0	0	0	110	Y660 R665 Q667 W668 L690 K691	Y660-L663 HydrophobicContact CD1-CB 4.42Å; Y660-L663 HydrophobicContact CD1-CD2 4.41Å; Y660-L663 HydrophobicContact CD2-CB 4.14Å; Y660-L663 HydrophobicContact CE1-CB 4.11Å; Y660-L663 HydrophobicContact CE1-CD2 3.96Å; Y660-L663 HydrophobicContact CE2-CB 3.79Å; Y660-L663 HydrophobicContact CG-CB 4.43Å; Y660-L663 PolarHBondContact O-N 3.02Å; L663-R665 PolarHBondContact O-N 2.76Å; L663-Q667 HydrophobicContact CD1-CB 4.13Å; L663-Q667 HydrophobicContact CG-CB 4.36Å; L663-W668 PolarHBondContact O-NE1 2.97Å; L663-L690 HydrophobicContact CD2-CD1 4.01Å; L663-K691 HydrophobicContact CD1-CB 3.93Å; L663-K691 HydrophobicContact CD1-CD 4.41Å; L663-K691 HydrophobicContact CD1-CG 4.41Å
664	P	95.8	Very high	94.2	Very high	60 Å²	60	55.8 Å²	55.8	39%	0.39	29%	0.289	S	S	.	.			trans	-55.7	136.4	175.8	-27	36.7	0	0	0	112.3	D666 Q667 W668	P664-D666 WeakPolarHBondContact CB-OD1 3.44Å; P664-D666 PolarHBondContact O-N 2.66Å; P664-Q667 HydrophobicContact CB-CG 4.32Å; P664-Q667 WeakPolarHBondContact O-CB 3.32Å; P664-Q667 PolarHBondContact O-N 3.26Å; P664-W668 PolarHBondContact O-NE1 3.39Å
665	R	93.2	Very high	93.9	Very high	168 Å²	168	54.6 Å²	54.6	63%	0.634	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-62.1	-28.9	-172	-73.3	-174.2	179.3	-178.5	0.6	114.1	L663 Q667 W668	L663-R665 PolarHBondContact O-N 2.76Å; R665-Q667 PolarHBondContact O-N 3.08Å; R665-W668 HydrophobicContact CG-CZ2 4.21Å; R665-W668 WeakPolarHBondContact O-CB 3.04Å; R665-W668 PolarHBondContact O-N 2.8Å
666	D	93	Very high	93.7	Very high	137 Å²	137	52.4 Å²	52.4	73%	0.733	26%	0.264	S	S	*	.	G	3₁₀ helix	trans	-66.3	-18.6	174.7	58.6	-63.6	0	0	0	112.8	P664	P664-D666 WeakPolarHBondContact CB-OD1 3.44Å; P664-D666 PolarHBondContact O-N 2.66Å
667	Q	94.2	Very high	93.3	Very high	71 Å²	71	53 Å²	53	33%	0.332	27%	0.267	S	S	.	.	G	3₁₀ helix	trans	-96	1.4	176.7	-56.1	-175.2	31.1	0	0	113.1	L663 P664 R665 P669	L663-Q667 HydrophobicContact CD1-CB 4.13Å; L663-Q667 HydrophobicContact CG-CB 4.36Å; P664-Q667 HydrophobicContact CB-CG 4.32Å; P664-Q667 WeakPolarHBondContact O-CB 3.32Å; P664-Q667 PolarHBondContact O-N 3.26Å; R665-Q667 PolarHBondContact O-N 3.08Å; Q667-P669 VanDerWaalsContact O-CD 3.32Å; Q667-P669 WeakPolarHBondContact O-CD 3.09Å
668	W	97.4	Very high	92.9	Very high	22 Å²	22	51 Å²	51	8%	0.083	26%	0.259	C	S	.	.	P	Polyproline II helix	trans	-76.3	118.6	-179.2	-68.9	18.1	0	0	0	110.1	I647 W649 R657 I658 L663 P664 R665	I647-W668 HydrophobicContact CB-CH2 3.73Å; I647-W668 HydrophobicContact CB-CZ3 4.09Å; I647-W668 HydrophobicContact CD1-CH2 3.98Å; I647-W668 HydrophobicContact CD1-CZ2 4.36Å; I647-W668 HydrophobicContact CG1-CH2 4.45Å; I647-W668 HydrophobicContact CG2-CH2 3.71Å; I647-W668 HydrophobicContact CG2-CZ3 3.9Å; W649-W668 HydrophobicContact CB-CZ3 4.02Å; R657-W668 HydrophobicContact CB-CB 4.02Å; R657-W668 HydrophobicContact CB-CE3 4.17Å; I658-W668 WeakPolarHBondContact O-CB 3.5Å; L663-W668 PolarHBondContact O-NE1 2.97Å; P664-W668 PolarHBondContact O-NE1 3.39Å; R665-W668 HydrophobicContact CG-CZ2 4.21Å; R665-W668 WeakPolarHBondContact O-CB 3.04Å; R665-W668 PolarHBondContact O-N 2.8Å
669	P	97.4	Very high	92.3	Very high	4 Å²	4	52.3 Å²	52.3	3%	0.026	27%	0.273	C	S	.	.	P	Polyproline II helix	trans	-63.5	148.9	176.9	26.7	-37.1	0	0	0	112	R657 I658 Q667 L686 G688 L690	R657-P669 VanDerWaalsContact CA-O 3.3Å; R657-P669 WeakPolarHBondContact CA-O 3.23Å; I658-P669 PolarHBondContact N-O 3.39Å; I658-P669 VanDerWaalsContact N-O 3.12Å; I658-P669 VanDerWaalsContact O-CD 3.27Å; I658-P669 WeakPolarHBondContact O-CD 3.03Å; Q667-P669 VanDerWaalsContact O-CD 3.32Å; Q667-P669 WeakPolarHBondContact O-CD 3.09Å; P669-L686 HydrophobicContact CB-CB 4.12Å; P669-L686 HydrophobicContact CB-CD1 4.24Å; P669-L686 HydrophobicContact CG-CD1 3.93Å; P669-G688 VanDerWaalsContact CB-O 3.3Å; P669-G688 WeakPolarHBondContact CB-O 3.41Å; P669-L690 HydrophobicContact CG-CB 4.21Å
670	K	96.2	Very high	91.8	Very high	79 Å²	79	52.6 Å²	52.6	34%	0.343	28%	0.275	S	S	.	.	B	Isolated β-bridge	trans	-91.1	142	174.8	-49	-175.3	-151.3	89.2	0	110.1	I655 M656 R657 I672 L686 D687	I655-K670 HydrophobicContact CG2-CB 4.27Å; I655-K670 HydrophobicContact CG2-CD 3.84Å; I655-K670 HydrophobicContact CG2-CG 4.2Å; M656-K670 CarbonylContact O-C 3.35Å; M656-K670 VanDerWaalsContact O-CA 3.25Å; M656-K670 WeakPolarHBondContact O-CA 3.32Å; R657-K670 HydrophobicContact CG-CG 4.04Å; K670-I672 PolarHBondContact O-N 2.92Å; K670-L686 VanDerWaalsContact O-CA 3.32Å; K670-L686 WeakPolarHBondContact O-CA 3.37Å; K670-D687 WeakPolarHBondContact CG-OD2 3.31Å; K670-D687 PolarHBondContact N-OD1 3.22Å; K670-D687 IonicContact NZ-OD2 3.73Å; K670-D687 PolarHBondContact NZ-OD2 3.26Å; K670-D687 PolarHBondContact O-N 2.81Å
671	V	94.2	Very high	91.3	Very high	9 Å²	9	51.6 Å²	51.6	6%	0.055	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	115.1	166.8	-174.5	0	0	0	0	108.6	M656 I658 W674 W684 L685 L686	M656-V671 HydrophobicContact CB-CB 4.13Å; M656-V671 HydrophobicContact CB-CG2 4.01Å; M656-V671 HydrophobicContact CG-CB 4.23Å; M656-V671 HydrophobicContact CG-CG2 3.57Å; M656-V671 PolarHBondContact O-N 3.39Å; I658-V671 HydrophobicContact CD1-CG2 3.7Å; I658-V671 HydrophobicContact CG1-CG2 4.13Å; V671-W674 HydrophobicContact CB-CD2 4.29Å; V671-W674 HydrophobicContact CB-CH2 4.43Å; V671-W674 HydrophobicContact CB-CZ2 3.94Å; V671-W674 HydrophobicContact CG1-CD2 3.51Å; V671-W674 HydrophobicContact CG1-CE3 3.97Å; V671-W674 HydrophobicContact CG1-CG 3.88Å; V671-W674 HydrophobicContact CG1-CZ2 4.09Å; V671-W674 HydrophobicContact CG1-CZ3 4.47Å; V671-W684 HydrophobicContact CG1-CB 4.07Å; V671-W684 HydrophobicContact CG1-CD2 4.33Å; V671-W684 HydrophobicContact CG1-CE3 4.16Å; V671-W684 HydrophobicContact CG1-CG 4.31Å; V671-W684 HydrophobicContact CG2-CE3 3.83Å; V671-W684 HydrophobicContact CG2-CZ3 4.37Å; V671-L685 CarbonylContact C-O 3.59Å; V671-L685 WeakPolarHBondContact CA-O 3.17Å; V671-L686 HydrophobicContact CB-CD2 4.46Å; V671-L686 HydrophobicContact CG2-CD2 3.81Å
672	I	93.4	Very high	90.9	Very high	93 Å²	93	43.6 Å²	43.6	48%	0.477	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-26.7	-178	51.2	169.5	0	0	0	113.5	T580 K670 L685 D687	T580-I672 HydrophobicContact CG2-CD1 3.84Å; K670-I672 PolarHBondContact O-N 2.92Å; I672-L685 HydrophobicContact CD1-CB 4.49Å; I672-L685 HydrophobicContact CG1-CB 4.02Å; I672-L685 VanDerWaalsContact CG1-O 3.31Å; I672-L685 WeakPolarHBondContact CG1-O 2.99Å; I672-L685 PolarHBondContact N-O 2.84Å; I672-D687 HydrophobicContact CD1-CB 4.41Å; I672-D687 HydrophobicContact CG2-CB 3.68Å
673	Q	90.3	Very high	90.9	Very high	66 Å²	66	40.1 Å²	40.1	31%	0.308	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.3	133.6	173.6	-172.6	168.6	3.7	0	0	109	L676 L685	Q673-L676 HydrophobicContact CG-CD2 4.4Å; Q673-L685 HydrophobicContact CB-CB 3.99Å; Q673-L685 HydrophobicContact CB-CD1 3.96Å; Q673-L685 HydrophobicContact CB-CG 4.11Å; Q673-L685 PolarHBondContact O-N 3.13Å
674	W	85.8	Confident	90.8	Very high	49 Å²	49	39.6 Å²	39.6	19%	0.186	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	156.7	-170.7	-61.7	78.7	0	0	0	111	I627 M650 M656 V671 L676 W684	I627-W674 HydrophobicContact CG2-CB 4.49Å; I627-W674 HydrophobicContact CG2-CD2 3.76Å; I627-W674 HydrophobicContact CG2-CE3 3.73Å; I627-W674 HydrophobicContact CG2-CG 4.14Å; I627-W674 HydrophobicContact CG2-CH2 4.32Å; I627-W674 HydrophobicContact CG2-CZ2 4.44Å; I627-W674 HydrophobicContact CG2-CZ3 4.01Å; M650-W674 HydrophobicContact CE-CH2 4.01Å; M650-W674 HydrophobicContact CE-CZ2 4.43Å; M656-W674 HydrophobicContact CB-CH2 3.14Å; M656-W674 HydrophobicContact CB-CZ2 3.19Å; M656-W674 HydrophobicContact CB-CZ3 4.3Å; M656-W674 HydrophobicContact CE-CH2 3.82Å; M656-W674 HydrophobicContact CE-CZ3 4.4Å; M656-W674 HydrophobicContact CG-CH2 3.46Å; M656-W674 VanDerWaalsContact CG-CH2 3.46Å; M656-W674 HydrophobicContact CG-CZ2 3.98Å; M656-W674 HydrophobicContact CG-CZ3 4.23Å; V671-W674 HydrophobicContact CB-CD2 4.29Å; V671-W674 HydrophobicContact CB-CH2 4.43Å; V671-W674 HydrophobicContact CB-CZ2 3.94Å; V671-W674 HydrophobicContact CG1-CD2 3.51Å; V671-W674 HydrophobicContact CG1-CE3 3.97Å; V671-W674 HydrophobicContact CG1-CG 3.88Å; V671-W674 HydrophobicContact CG1-CZ2 4.09Å; V671-W674 HydrophobicContact CG1-CZ3 4.47Å; W674-L676 VanDerWaalsContact C-N 3.34Å; W674-L676 PolarHBondContact O-N 2.03Å; W674-W684 AromaticContact CE3-CD2 3.84Å; W674-W684 HydrophobicContact CE3-CD2 3.84Å; W674-W684 AromaticContact CE3-CE2 3.64Å; W674-W684 AromaticContact CE3-CE3 3.95Å; W674-W684 HydrophobicContact CE3-CE3 3.95Å; W674-W684 AromaticContact CE3-CH2 3.76Å; W674-W684 HydrophobicContact CE3-CH2 3.76Å; W674-W684 AromaticContact CE3-CZ2 3.63Å; W674-W684 HydrophobicContact CE3-CZ2 3.63Å; W674-W684 AromaticContact CE3-CZ3 3.88Å; W674-W684 HydrophobicContact CE3-CZ3 3.88Å; W674-W684 HydrophobicContact CH2-CH2 4.47Å; W674-W684 HydrophobicContact CH2-CZ3 4.31Å; W674-W684 HydrophobicContact CZ3-CD2 4.26Å; W674-W684 AromaticContact CZ3-CE3 3.92Å; W674-W684 HydrophobicContact CZ3-CE3 3.92Å; W674-W684 AromaticContact CZ3-CH2 3.34Å; W674-W684 HydrophobicContact CZ3-CH2 3.34Å; W674-W684 AromaticContact CZ3-CZ2 3.7Å; W674-W684 HydrophobicContact CZ3-CZ2 3.7Å; W674-W684 AromaticContact CZ3-CZ3 3.42Å; W674-W684 HydrophobicContact CZ3-CZ3 3.42Å; W674-W684 VanDerWaalsContact CZ3-CZ3 3.42Å
675	N	83.3	Confident	90.8	Very high	4 Å²	4	36.8 Å²	36.8	2%	0.021	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	51.9	41.2	161	-62	-23.3	0	0	0	115.9	Q439 Y510 G625 H677 W684	Q439-N675 PolarHBondContact NE2-O 2.76Å; Y510-N675 VanDerWaalsContact OH-CB 3.28Å; Y510-N675 WeakPolarHBondContact OH-CB 3.38Å; G625-N675 PolarHBondContact O-ND2 3.44Å; N675-H677 PolarHBondContact O-N 3.28Å; N675-W684 PolarHBondContact OD1-NE1 3.45Å
676	L	88.3	Confident	91	Very high	16 Å²	16	28.8 Å²	28.8	8%	0.084	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66	101	166.1	-62.2	178.9	0	0	0	108.1	I543 Q673 W674 I682 I683 L685	I543-L676 HydrophobicContact CG2-CB 4.49Å; I543-L676 HydrophobicContact CG2-CD1 4.13Å; Q673-L676 HydrophobicContact CG-CD2 4.4Å; W674-L676 VanDerWaalsContact C-N 3.34Å; W674-L676 PolarHBondContact O-N 2.03Å; L676-I682 WeakPolarHBondContact O-CA 3.16Å; L676-I683 HydrophobicContact CB-CB 3.99Å; L676-I683 WeakPolarHBondContact CB-O 3.31Å; L676-I683 HydrophobicContact CD1-CB 4.18Å; L676-I683 HydrophobicContact CD1-CG2 4.02Å; L676-I683 PolarHBondContact N-O 3.03Å; L676-I683 PolarHBondContact O-N 3.4Å; L676-L685 HydrophobicContact CD1-CD1 4.18Å; L676-L685 HydrophobicContact CD1-CD2 4.16Å; L676-L685 HydrophobicContact CD1-CG 4.03Å
677	H	84.7	Confident	91.2	Very high	15 Å²	15	24.8 Å²	24.8	7%	0.069	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	134.2	-173.9	71.2	-62.7	0	0	0	111	F440 V534 P535 P536 I543 N675 I682	F440-H677 AromaticContact CD1-CE1 3.98Å; F440-H677 AromaticContact CE1-CE1 3.29Å; F440-H677 WeakPolarHBondContact CE1-CE1 3.26Å; F440-H677 AromaticContact CE1-ND1 3.43Å; F440-H677 WeakPolarHBondContact CE1-ND1 3.36Å; V534-H677 PolarHBondContact O-CD2 2.96Å; V534-H677 PolarHBondContact O-NE2 3Å; P535-H677 PolarHBondContact O-NE2 3.28Å; P535-H677 VanDerWaalsContact O-NE2 3.16Å; P536-H677 VanDerWaalsContact CA-CD2 3.44Å; P536-H677 WeakPolarHBondContact CA-CD2 3.44Å; P536-H677 WeakPolarHBondContact CA-NE2 3.43Å; I543-H677 WeakPolarHBondContact CD1-O 3.46Å; N675-H677 PolarHBondContact O-N 3.28Å; H677-I682 HydrophobicContact CB-CD1 4.47Å
678	A	87.3	Confident	91.3	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.112	C	C	.	.			trans	-126.6	167	179	0	0	0	0	0	110.5	Y492 F538 M540 I543 D680 G681	Y492-A678 WeakPolarHBondContact CE2-O 3.35Å; F538-A678 CarbonylContact O-C 3.58Å; F538-A678 WeakPolarHBondContact O-CA 3.02Å; F538-A678 VanDerWaalsContact O-CB 3.31Å; F538-A678 WeakPolarHBondContact O-CB 3.34Å; M540-A678 HydrophobicContact CB-CB 4.34Å; M540-A678 HydrophobicContact CG-CB 3.64Å; I543-A678 HydrophobicContact CD1-CB 3.55Å; A678-D680 WeakPolarHBondContact CB-OD1 3.23Å; A678-D680 PolarHBondContact O-N 3.27Å; A678-G681 VanDerWaalsContact CA-O 3.29Å; A678-G681 WeakPolarHBondContact CA-O 3.36Å; A678-G681 WeakPolarHBondContact CB-O 3.31Å; A678-G681 PolarHBondContact N-O 3.18Å
679	G	83.4	Confident	91.2	Very high	29 Å²	29	20.9 Å²	20.9	30%	0.299	11%	0.109	S	C	.	.	S	Bend	trans	-64.9	-28.4	178	0	0	0	0	0	113.5	F538	F538-G679 PolarHBondContact O-N 3.15Å
680	D	86.9	Confident	91.1	Very high	6 Å²	6	20.7 Å²	20.7	3%	0.032	11%	0.108	C	C	.	.	S	Bend	trans	-109.5	-11.5	-176.8	60.5	-21.7	0	0	0	113.5	N539 M540 A571 P572 N574 A678	N539-D680 VanDerWaalsContact CA-OD1 3.26Å; N539-D680 WeakPolarHBondContact CA-OD1 3.18Å; M540-D680 WeakPolarHBondContact CG-OD1 3.48Å; M540-D680 PolarHBondContact N-OD1 3.21Å; A571-D680 HydrophobicContact CB-CB 3.97Å; P572-D680 CarbonylContact C-O 3.52Å; P572-D680 WeakPolarHBondContact CA-O 3.4Å; N574-D680 WeakPolarHBondContact CB-O 3.48Å; N574-D680 PolarHBondContact ND2-O 2.85Å; A678-D680 WeakPolarHBondContact CB-OD1 3.23Å; A678-D680 PolarHBondContact O-N 3.27Å
681	G	87	Confident	91.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.			trans	-178.9	-180	-170.5	0	0	0	0	0	115.9	Y492 N574 A678	Y492-G681 WeakPolarHBondContact OH-CA 2.82Å; Y492-G681 PolarHBondContact OH-N 2.79Å; Y492-G681 PolarHBondContact OH-O 3.17Å; Y492-G681 VanDerWaalsContact OH-O 3.04Å; N574-G681 CarbonylContact O-C 3.59Å; N574-G681 WeakPolarHBondContact O-CA 3.43Å; A678-G681 VanDerWaalsContact CA-O 3.29Å; A678-G681 WeakPolarHBondContact CA-O 3.36Å; A678-G681 WeakPolarHBondContact CB-O 3.31Å; A678-G681 PolarHBondContact N-O 3.18Å
682	I	88.6	Confident	91.1	Very high	0 Å²	0	19.8 Å²	19.8	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	135.7	172.9	-66.2	-133.9	0	0	0	108.6	Y492 N574 L575 Y576 W623 L676 H677	Y492-I682 HydrophobicContact CE1-CD1 3.92Å; Y492-I682 HydrophobicContact CE1-CG1 3.57Å; Y492-I682 VanDerWaalsContact OH-CG1 3.24Å; Y492-I682 WeakPolarHBondContact OH-CG1 3.37Å; Y492-I682 PolarHBondContact OH-N 3.3Å; Y492-I682 VanDerWaalsContact OH-N 3.13Å; N574-I682 PolarHBondContact O-N 3.06Å; L575-I682 CarbonylContact C-O 3.52Å; L575-I682 WeakPolarHBondContact CA-O 3.18Å; L575-I682 HydrophobicContact CD1-CG2 4.22Å; Y576-I682 PolarHBondContact N-O 2.93Å; W623-I682 VanDerWaalsContact C-CD1 3.5Å; W623-I682 HydrophobicContact CB-CB 4.07Å; W623-I682 HydrophobicContact CB-CD1 4.34Å; W623-I682 HydrophobicContact CB-CG1 4.06Å; W623-I682 WeakPolarHBondContact O-CD1 3.37Å; W623-I682 VanDerWaalsContact O-CG1 3.3Å; W623-I682 WeakPolarHBondContact O-CG1 3.27Å; L676-I682 WeakPolarHBondContact O-CA 3.16Å; H677-I682 HydrophobicContact CB-CD1 4.47Å
683	I	92.7	Very high	91.1	Very high	0 Å²	0	16.3 Å²	16.3	0%	0	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	132.4	170.4	-64.2	158.3	0	0	0	110.4	M540 I543 L544 Y576 V578 L676 L685	M540-I683 HydrophobicContact CB-CD1 3.82Å; M540-I683 HydrophobicContact CB-CG1 4.17Å; M540-I683 HydrophobicContact CG-CD1 4Å; M540-I683 HydrophobicContact CG-CG1 3.89Å; M540-I683 WeakPolarHBondContact O-CD1 3.02Å; M540-I683 HydrophobicContact SD-CG1 4.13Å; I543-I683 HydrophobicContact CB-CD1 3.98Å; I543-I683 HydrophobicContact CG2-CD1 3.92Å; L544-I683 HydrophobicContact CD2-CD1 3.98Å; L544-I683 HydrophobicContact CG-CD1 3.97Å; Y576-I683 HydrophobicContact CD1-CG1 4.35Å; Y576-I683 VanDerWaalsContact O-CA 3.31Å; Y576-I683 WeakPolarHBondContact O-CA 3.13Å; V578-I683 HydrophobicContact CB-CG2 3.8Å; V578-I683 HydrophobicContact CG2-CG2 3.64Å; L676-I683 HydrophobicContact CB-CB 3.99Å; L676-I683 WeakPolarHBondContact CB-O 3.31Å; L676-I683 HydrophobicContact CD1-CB 4.18Å; L676-I683 HydrophobicContact CD1-CG2 4.02Å; L676-I683 PolarHBondContact N-O 3.03Å; L676-I683 PolarHBondContact O-N 3.4Å; I683-L685 HydrophobicContact CG2-CD2 3.73Å
684	W	93.6	Very high	91	Very high	4 Å²	4	19.6 Å²	19.6	2%	0.015	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.5	165	-72.5	8.2	0	0	0	109.4	L575 Y576 L577 V578 W623 F630 F648 I658 V671 W674 N675	L575-W684 HydrophobicContact CD1-CB 4.18Å; L575-W684 HydrophobicContact CD1-CD2 3.81Å; L575-W684 HydrophobicContact CD1-CE3 4.48Å; L575-W684 HydrophobicContact CD1-CG 3.67Å; L575-W684 HydrophobicContact CD2-CD2 4.49Å; L575-W684 HydrophobicContact CD2-CE3 4.44Å; Y576-W684 PolarHBondContact O-N 2.9Å; L577-W684 HydrophobicContact CD2-CB 4Å; L577-W684 HydrophobicContact CD2-CE3 4.12Å; V578-W684 PolarHBondContact N-O 2.92Å; W623-W684 HydrophobicContact CE3-CZ2 4.37Å; W623-W684 HydrophobicContact CZ3-CH2 4.47Å; F630-W684 HydrophobicContact CD2-CH2 4.39Å; F630-W684 AromaticContact CE2-CH2 3.74Å; F630-W684 HydrophobicContact CE2-CH2 3.74Å; F630-W684 HydrophobicContact CZ-CH2 4.29Å; F648-W684 HydrophobicContact CD1-CH2 4.25Å; F648-W684 AromaticContact CD1-CZ3 3.68Å; F648-W684 HydrophobicContact CD1-CZ3 3.68Å; F648-W684 HydrophobicContact CE1-CE3 4.08Å; F648-W684 HydrophobicContact CE1-CH2 4.11Å; F648-W684 AromaticContact CE1-CZ3 3.44Å; F648-W684 HydrophobicContact CE1-CZ3 3.44Å; F648-W684 VanDerWaalsContact CE1-CZ3 3.44Å; I658-W684 HydrophobicContact CD1-CE3 4.17Å; I658-W684 HydrophobicContact CD1-CZ3 4.4Å; V671-W684 HydrophobicContact CG1-CB 4.07Å; V671-W684 HydrophobicContact CG1-CD2 4.33Å; V671-W684 HydrophobicContact CG1-CE3 4.16Å; V671-W684 HydrophobicContact CG1-CG 4.31Å; V671-W684 HydrophobicContact CG2-CE3 3.83Å; V671-W684 HydrophobicContact CG2-CZ3 4.37Å; W674-W684 AromaticContact CE3-CD2 3.84Å; W674-W684 HydrophobicContact CE3-CD2 3.84Å; W674-W684 AromaticContact CE3-CE2 3.64Å; W674-W684 AromaticContact CE3-CE3 3.95Å; W674-W684 HydrophobicContact CE3-CE3 3.95Å; W674-W684 AromaticContact CE3-CH2 3.76Å; W674-W684 HydrophobicContact CE3-CH2 3.76Å; W674-W684 AromaticContact CE3-CZ2 3.63Å; W674-W684 HydrophobicContact CE3-CZ2 3.63Å; W674-W684 AromaticContact CE3-CZ3 3.88Å; W674-W684 HydrophobicContact CE3-CZ3 3.88Å; W674-W684 HydrophobicContact CH2-CH2 4.47Å; W674-W684 HydrophobicContact CH2-CZ3 4.31Å; W674-W684 HydrophobicContact CZ3-CD2 4.26Å; W674-W684 AromaticContact CZ3-CE3 3.92Å; W674-W684 HydrophobicContact CZ3-CE3 3.92Å; W674-W684 AromaticContact CZ3-CH2 3.34Å; W674-W684 HydrophobicContact CZ3-CH2 3.34Å; W674-W684 AromaticContact CZ3-CZ2 3.7Å; W674-W684 HydrophobicContact CZ3-CZ2 3.7Å; W674-W684 AromaticContact CZ3-CZ3 3.42Å; W674-W684 HydrophobicContact CZ3-CZ3 3.42Å; W674-W684 VanDerWaalsContact CZ3-CZ3 3.42Å; N675-W684 PolarHBondContact OD1-NE1 3.45Å
685	L	95.6	Very high	91.1	Very high	1 Å²	1	26.1 Å²	26.1	1%	0.005	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	135.4	-179.6	-58.1	-174.2	0	0	0	111.6	R547 T550 V578 T580 V671 I672 Q673 L676 I683	R547-L685 VanDerWaalsContact NH2-CD1 3.25Å; T550-L685 HydrophobicContact CG2-CD2 3.97Å; V578-L685 HydrophobicContact CB-CD2 3.92Å; V578-L685 HydrophobicContact CG1-CD2 3.89Å; V578-L685 CarbonylContact O-C 3.57Å; V578-L685 VanDerWaalsContact O-CA 3.27Å; V578-L685 WeakPolarHBondContact O-CA 3.38Å; T580-L685 HydrophobicContact CG2-CB 4.05Å; T580-L685 HydrophobicContact CG2-CD1 4.17Å; V671-L685 CarbonylContact C-O 3.59Å; V671-L685 WeakPolarHBondContact CA-O 3.17Å; I672-L685 HydrophobicContact CD1-CB 4.49Å; I672-L685 HydrophobicContact CG1-CB 4.02Å; I672-L685 VanDerWaalsContact CG1-O 3.31Å; I672-L685 WeakPolarHBondContact CG1-O 2.99Å; I672-L685 PolarHBondContact N-O 2.84Å; Q673-L685 HydrophobicContact CB-CB 3.99Å; Q673-L685 HydrophobicContact CB-CD1 3.96Å; Q673-L685 HydrophobicContact CB-CG 4.11Å; Q673-L685 PolarHBondContact O-N 3.13Å; L676-L685 HydrophobicContact CD1-CD1 4.18Å; L676-L685 HydrophobicContact CD1-CD2 4.16Å; L676-L685 HydrophobicContact CD1-CG 4.03Å; I683-L685 HydrophobicContact CG2-CD2 3.73Å
686	L	97.7	Very high	91.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	143.9	-179.9	-55.5	-176	0	0	0	111.8	L577 V578 T580 I658 P669 K670 V671 G688	L577-L686 HydrophobicContact CB-CD1 4.02Å; V578-L686 PolarHBondContact O-N 2.8Å; T580-L686 PolarHBondContact N-O 3.07Å; T580-L686 VanDerWaalsContact N-O 3.11Å; T580-L686 PolarHBondContact OG1-O 3.15Å; I658-L686 HydrophobicContact CD1-CD2 4.21Å; P669-L686 HydrophobicContact CB-CB 4.12Å; P669-L686 HydrophobicContact CB-CD1 4.24Å; P669-L686 HydrophobicContact CG-CD1 3.93Å; K670-L686 VanDerWaalsContact O-CA 3.32Å; K670-L686 WeakPolarHBondContact O-CA 3.37Å; V671-L686 HydrophobicContact CB-CD2 4.46Å; V671-L686 HydrophobicContact CG2-CD2 3.81Å; L686-G688 VanDerWaalsContact C-N 3.27Å; L686-G688 WeakPolarHBondContact CB-O 3.36Å
687	D	96.5	Very high	91.5	Very high	52 Å²	52	26.5 Å²	26.5	28%	0.278	14%	0.135	S	C	.	.	S	Bend	trans	-82.8	0.4	173	73.3	-12.1	0	0	0	114.4	G583 K670 I672	G583-D687 WeakPolarHBondContact CA-O 3.1Å; K670-D687 WeakPolarHBondContact CG-OD2 3.31Å; K670-D687 PolarHBondContact N-OD1 3.22Å; K670-D687 IonicContact NZ-OD2 3.73Å; K670-D687 PolarHBondContact NZ-OD2 3.26Å; K670-D687 PolarHBondContact O-N 2.81Å; I672-D687 HydrophobicContact CD1-CB 4.41Å; I672-D687 HydrophobicContact CG2-CB 3.68Å
688	G	96.3	Very high	91.4	Very high	6 Å²	6	29.2 Å²	29.2	6%	0.062	15%	0.154	C	C	.	.	S	Bend	trans	-160.3	170.1	-178	0	0	0	0	0	111.2	T579 P669 L686	T579-G688 VanDerWaalsContact CG2-O 3.25Å; T579-G688 WeakPolarHBondContact CG2-O 3.48Å; T579-G688 PolarHBondContact OG1-O 3.25Å; P669-G688 VanDerWaalsContact CB-O 3.3Å; P669-G688 WeakPolarHBondContact CB-O 3.41Å; L686-G688 VanDerWaalsContact C-N 3.27Å; L686-G688 WeakPolarHBondContact CB-O 3.36Å
689	I	95.8	Very high	90.4	Very high	5 Å²	5	33.1 Å²	33.1	3%	0.026	17%	0.174	C	C	.	.			trans	-77.5	139.1	176.5	62.2	172.2	0	0	0	110.6	T579 W584 E600 K691	T579-I689 HydrophobicContact CG2-CG2 3.92Å; W584-I689 HydrophobicContact CD2-CG2 3.63Å; W584-I689 HydrophobicContact CE3-CG2 3.41Å; W584-I689 VanDerWaalsContact CE3-CG2 3.41Å; W584-I689 HydrophobicContact CG-CG2 4.35Å; W584-I689 HydrophobicContact CH2-CG2 3.97Å; W584-I689 HydrophobicContact CZ2-CG2 4.15Å; W584-I689 HydrophobicContact CZ3-CG2 3.59Å; E600-I689 HydrophobicContact CB-CD1 3.54Å; E600-I689 HydrophobicContact CG-CD1 3.54Å; I689-K691 HydrophobicContact CD1-CG 4.03Å; I689-K691 HydrophobicContact CG1-CG 4.16Å; I689-K691 PolarHBondContact O-N 3.24Å
690	L	96.6	Very high	89.3	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	17%	0.171	C	C	.	.			trans	-82.4	96.4	162.6	179.6	61.4	0	0	0	107.5	L577 Y612 L615 L646 I658 Y660 L663 P669 C692	L577-L690 HydrophobicContact CD1-CD2 4.47Å; Y612-L690 WeakPolarHBondContact CE2-O 3.48Å; L615-L690 HydrophobicContact CD2-CD2 4.28Å; L615-L690 HydrophobicContact CD2-CG 4.15Å; L615-L690 HydrophobicContact CG-CD2 4.02Å; L615-L690 HydrophobicContact CG-CG 4.43Å; L646-L690 HydrophobicContact CD1-CD2 4.04Å; L646-L690 HydrophobicContact CD2-CD2 3.77Å; I658-L690 HydrophobicContact CG2-CD2 4.46Å; Y660-L690 HydrophobicContact CD1-CD1 4.14Å; Y660-L690 HydrophobicContact CE1-CD1 4.18Å; L663-L690 HydrophobicContact CD2-CD1 4.01Å; P669-L690 HydrophobicContact CG-CB 4.21Å; L690-C692 PolarHBondContact O-N 3.43Å
691	K	94.8	Very high	87.7	Confident	58 Å²	58	37.8 Å²	37.8	25%	0.252	20%	0.195	S	C	.	.	P	Polyproline II helix	trans	-54.6	128.9	-174.9	-68.3	-162	-177.1	-148.8	0	111.1	E600 Y660 L663 I689	E600-K691 WeakPolarHBondContact OE1-CE 3.26Å; E600-K691 IonicContact OE1-NZ 3.79Å; E600-K691 PolarHBondContact OE1-NZ 3.45Å; Y660-K691 WeakPolarHBondContact CE1-O 3.22Å; Y660-K691 VanDerWaalsContact CZ-O 3.32Å; Y660-K691 PolarHBondContact OH-O 3.09Å; L663-K691 HydrophobicContact CD1-CB 3.93Å; L663-K691 HydrophobicContact CD1-CD 4.41Å; L663-K691 HydrophobicContact CD1-CG 4.41Å; I689-K691 HydrophobicContact CD1-CG 4.03Å; I689-K691 HydrophobicContact CG1-CG 4.16Å; I689-K691 PolarHBondContact O-N 3.24Å
692	C	94.2	Very high	86.1	Confident	11 Å²	11	42.9 Å²	42.9	7%	0.074	22%	0.219	C	C	.	.	P	Polyproline II helix	trans	-72	132.1	178.2	-168	0	0	0	0	110.1	Y604 Y612 L615 L690 C697	Y604-C692 HydrophobicContact CD1-CB 4.31Å; Y604-C692 HydrophobicContact CE1-CB 3.45Å; Y604-C692 VanDerWaalsContact CE1-CB 3.45Å; Y604-C692 HydrophobicContact CE2-CB 4.49Å; Y604-C692 PolarHBondContact OH-N 2.95Å; Y612-C692 HydrophobicContact CD2-CB 4.35Å; L615-C692 HydrophobicContact CD2-CB 4.21Å; L690-C692 PolarHBondContact O-N 3.43Å; C692-C697 HydrophobicContact CB-CB 3.52Å; C692-C697 WeakPolarHBondContact CB-SG 3.43Å; C692-C697 WeakPolarHBondContact SG-CB 3.4Å; C692-C697 CovalentContact SG-SG 2.04Å; C692-C697 PolarHBondContact SG-SG 3.46Å
693	P	93.6	Very high	84.8	Confident	20 Å²	20	46 Å²	46	13%	0.13	24%	0.235	C	C	.	.	P	Polyproline II helix	trans	-59.1	141.1	174.1	-14.1	21.4	0	0	0	110.7	I644 Y660 K695 I696 C697	I644-P693 HydrophobicContact CD1-CG 4.2Å; I644-P693 HydrophobicContact CG1-CG 4.21Å; Y660-P693 HydrophobicContact CD2-CG 4.39Å; Y660-P693 HydrophobicContact CE1-CG 4.1Å; Y660-P693 HydrophobicContact CE2-CB 4.27Å; Y660-P693 HydrophobicContact CE2-CG 3.72Å; Y660-P693 WeakPolarHBondContact OH-CD 3.48Å; P693-K695 PolarHBondContact O-N 2.85Å; P693-K695 VanDerWaalsContact O-N 3.1Å; P693-I696 HydrophobicContact CB-CG1 4.41Å; P693-I696 HydrophobicContact CG-CG1 4.29Å; P693-I696 WeakPolarHBondContact O-CA 3.36Å; P693-I696 PolarHBondContact O-N 2.7Å; P693-C697 PolarHBondContact O-N 3.34Å
694	E	88.2	Confident	83.6	Confident	135 Å²	135	48.4 Å²	48.4	63%	0.631	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-30.9	179.4	-65.2	178.2	-176.5	0	0	113	I696 C697 P698 L699	E694-I696 PolarHBondContact O-N 2.57Å; E694-C697 WeakPolarHBondContact CA-O 3.31Å; E694-C697 CarbonylContact O-C 3.55Å; E694-P698 WeakPolarHBondContact O-CA 3.42Å; E694-P698 VanDerWaalsContact O-N 3.16Å; E694-L699 HydrophobicContact CG-CD1 4.16Å; E694-L699 HydrophobicContact CG-CG 4.22Å; E694-L699 WeakPolarHBondContact OE1-CD1 3.24Å
695	K	89.3	Confident	82.5	Confident	187 Å²	187	50.7 Å²	50.7	81%	0.813	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-32	173.1	172	179.8	172.3	-174.4	0	113.1	P693	P693-K695 PolarHBondContact O-N 2.85Å; P693-K695 VanDerWaalsContact O-N 3.1Å
696	I	90.6	Very high	81.6	Confident	23 Å²	23	58.9 Å²	58.9	12%	0.118	30%	0.295	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101	-43.3	-173.8	-60.7	-58.2	0	0	0	110.7	N611 V642 I644 P693 E694	N611-I696 HydrophobicContact CB-CG2 3.78Å; N611-I696 PolarHBondContact ND2-O 3.45Å; V642-I696 HydrophobicContact CG1-CG2 4.16Å; V642-I696 HydrophobicContact CG2-CD1 4.27Å; V642-I696 HydrophobicContact CG2-CG2 3.59Å; I644-I696 HydrophobicContact CD1-CD1 4.3Å; I644-I696 HydrophobicContact CD1-CG1 3.97Å; I644-I696 HydrophobicContact CG1-CD1 4.47Å; I644-I696 HydrophobicContact CG1-CG1 4Å; P693-I696 HydrophobicContact CB-CG1 4.41Å; P693-I696 HydrophobicContact CG-CG1 4.29Å; P693-I696 WeakPolarHBondContact O-CA 3.36Å; P693-I696 PolarHBondContact O-N 2.7Å; E694-I696 PolarHBondContact O-N 2.57Å
697	C	89.4	Confident	80.7	Confident	4 Å²	4	64.3 Å²	64.3	3%	0.027	32%	0.316	C	S	.	.	S	Bend	trans	-118.5	87.2	173.6	-55.9	0	0	0	0	108.2	Y604 N608 C692 P693 E694 L699	Y604-C697 HydrophobicContact CD1-CB 4.13Å; Y604-C697 HydrophobicContact CE1-CB 3.85Å; N608-C697 HydrophobicContact CB-CB 4.35Å; C692-C697 HydrophobicContact CB-CB 3.52Å; C692-C697 WeakPolarHBondContact CB-SG 3.43Å; C692-C697 WeakPolarHBondContact SG-CB 3.4Å; C692-C697 CovalentContact SG-SG 2.04Å; C692-C697 PolarHBondContact SG-SG 3.46Å; P693-C697 PolarHBondContact O-N 3.34Å; E694-C697 WeakPolarHBondContact CA-O 3.31Å; E694-C697 CarbonylContact O-C 3.55Å; C697-L699 PolarHBondContact O-N 3.08Å
698	P	80.8	Confident	80	Confident	72 Å²	72	65.5 Å²	65.5	47%	0.468	32%	0.323	S	S	.	.	P	Polyproline II helix	trans	-59.1	137.4	179.5	24.1	-34.1	0	0	0	110.5	N608 E694 I700	N608-P698 PolarHBondContact ND2-O 3.04Å; N608-P698 WeakPolarHBondContact OD1-CD 3.38Å; E694-P698 WeakPolarHBondContact O-CA 3.42Å; E694-P698 VanDerWaalsContact O-N 3.16Å; P698-I700 PolarHBondContact O-N 3.34Å
699	L	66.6	Low	79.4	Confident	82 Å²	82	68.5 Å²	68.5	43%	0.429	34%	0.339	S	S	.	.	P	Polyproline II helix	trans	-63.5	126.5	170.6	-68.9	170.9	0	0	0	108.4	I603 E694 C697	I603-L699 HydrophobicContact CD1-CD2 3.9Å; E694-L699 HydrophobicContact CG-CD1 4.16Å; E694-L699 HydrophobicContact CG-CG 4.22Å; E694-L699 WeakPolarHBondContact OE1-CD1 3.24Å; C697-L699 PolarHBondContact O-N 3.08Å
700	I	60	Low	78.9	Confident	43 Å²	43	72.5 Å²	72.5	22%	0.221	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-84.4	134.9	166.5	-50.2	-179.9	0	0	0	105.7	P698 E702 I758 E759	P698-I700 PolarHBondContact O-N 3.34Å; I700-E702 PolarHBondContact O-N 3.33Å; I700-I758 WeakPolarHBondContact CG2-O 3.33Å; I700-E759 HydrophobicContact CG2-CB 4.42Å; I700-E759 HydrophobicContact CG2-CG 4.41Å
701	V	53.6	Low	78.5	Confident	90 Å²	90	75.6 Å²	75.6	55%	0.545	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-47.4	129.1	-162.7	-177.5	0	0	0	0	112.8	I758	V701-I758 PolarHBondContact N-O 2.73Å; V701-I758 PolarHBondContact O-N 3.46Å
702	E	54.8	Low	78.2	Confident	107 Å²	107	74.7 Å²	74.7	50%	0.5	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	122.4	175.3	-57.2	-172.9	159.7	0	0	110.2	I700 V755 L757	I700-E702 PolarHBondContact O-N 3.33Å; E702-V755 HydrophobicContact CB-CG1 4.28Å; E702-L757 HydrophobicContact CB-CD2 4.33Å; E702-L757 HydrophobicContact CG-CD2 3.7Å
703	D	59.7	Low	78	Confident	65 Å²	65	77 Å²	77	35%	0.348	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	122.7	163.1	-167.5	16.2	0	0	0	108.6	V755 T756 I758	D703-V755 CarbonylContact O-C 3.59Å; D703-V755 WeakPolarHBondContact O-CA 3.28Å; D703-T756 CarbonylContact C-O 3.53Å; D703-T756 WeakPolarHBondContact CA-O 3.14Å; D703-T756 VanDerWaalsContact CB-O 3.26Å; D703-T756 WeakPolarHBondContact CB-O 3.38Å; D703-T756 PolarHBondContact N-O 2.67Å; D703-T756 PolarHBondContact O-N 3.18Å; D703-I758 HydrophobicContact CB-CD1 3.62Å; D703-I758 HydrophobicContact CB-CG1 3.86Å
704	V	67.4	Low	77.8	Confident	52 Å²	52	77.9 Å²	77.9	32%	0.315	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113	104.2	-176.9	-176.2	0	0	0	0	107.9	Y706 T753 V755	V704-Y706 HydrophobicContact CB-CE2 4.44Å; V704-Y706 HydrophobicContact CG1-CD2 4.37Å; V704-Y706 HydrophobicContact CG1-CE2 3.72Å; V704-T753 HydrophobicContact CG1-CG2 3.59Å; V704-V755 HydrophobicContact CG1-CG2 4.46Å; V704-V755 HydrophobicContact CG2-CG1 4.46Å; V704-V755 HydrophobicContact CG2-CG2 4.32Å
705	D	71	Confident	77.8	Confident	52 Å²	52	79.1 Å²	79.1	28%	0.278	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.3	175.6	-79.1	-39.4	0	0	0	110	Y707 T753 T754	D705-Y707 HydrophobicContact CB-CE1 4.44Å; D705-Y707 HydrophobicContact CB-CE2 4.17Å; D705-Y707 PolarHBondContact OD2-OH 2.8Å; D705-T753 CarbonylContact O-C 3.56Å; D705-T753 WeakPolarHBondContact O-CA 3.16Å; D705-T754 VanDerWaalsContact CB-OG1 3.29Å; D705-T754 WeakPolarHBondContact CB-OG1 3.21Å; D705-T754 PolarHBondContact N-O 3.09Å; D705-T754 PolarHBondContact O-N 2.94Å
706	Y	76.3	Confident	77.8	Confident	172 Å²	172	72.6 Å²	72.6	68%	0.675	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106.4	118.6	171.6	-62.9	-91.8	0	0	0	108.8	V704 T753	V704-Y706 HydrophobicContact CB-CE2 4.44Å; V704-Y706 HydrophobicContact CG1-CD2 4.37Å; V704-Y706 HydrophobicContact CG1-CE2 3.72Å; Y706-T753 HydrophobicContact CD1-CG2 4.04Å; Y706-T753 HydrophobicContact CE1-CG2 3.88Å
707	Y	79.3	Confident	77.5	Confident	115 Å²	115	75.3 Å²	75.3	45%	0.451	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	109.6	175.3	-60.2	-61.1	0	0	0	110.4	D705 S751 E752 T754	D705-Y707 HydrophobicContact CB-CE1 4.44Å; D705-Y707 HydrophobicContact CB-CE2 4.17Å; D705-Y707 PolarHBondContact OD2-OH 2.8Å; Y707-S751 CarbonylContact O-C 3.6Å; Y707-S751 WeakPolarHBondContact O-CA 3.44Å; Y707-E752 PolarHBondContact N-O 3.44Å; Y707-E752 PolarHBondContact O-N 3.09Å; Y707-T754 HydrophobicContact CD2-CG2 3.9Å; Y707-T754 HydrophobicContact CE2-CG2 3.64Å; Y707-T754 WeakPolarHBondContact CE2-OG1 3.46Å
708	D	82.9	Confident	77.5	Confident	77 Å²	77	81.3 Å²	81.3	41%	0.412	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	117.6	169	-75.9	-24.2	0	0	0	109.7	Y710 L748 S751	D708-Y710 HydrophobicContact CB-CD2 4.23Å; D708-Y710 HydrophobicContact CB-CE2 3.45Å; D708-Y710 VanDerWaalsContact CB-CE2 3.45Å; D708-Y710 PolarHBondContact OD2-OH 3Å; D708-L748 HydrophobicContact CB-CD1 3.66Å; D708-S751 WeakPolarHBondContact OD1-CB 3.47Å; D708-S751 PolarHBondContact OD1-OG 2.93Å
709	V	83.3	Confident	77.8	Confident	68 Å²	68	78.2 Å²	78.2	41%	0.412	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	114.3	177	-177.5	0	0	0	0	108.8	Q749 T750	V709-Q749 PolarHBondContact O-N 2.93Å; V709-T750 WeakPolarHBondContact CG2-OG1 3.42Å; V709-T750 PolarHBondContact N-O 3.38Å; V709-T750 PolarHBondContact O-N 3.14Å
710	Y	85.6	Confident	78.9	Confident	89 Å²	89	78.7 Å²	78.7	35%	0.349	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	139	176.1	-61.8	-87.2	0	0	0	111.2	D708 L734 V746 V747 L748	D708-Y710 HydrophobicContact CB-CD2 4.23Å; D708-Y710 HydrophobicContact CB-CE2 3.45Å; D708-Y710 VanDerWaalsContact CB-CE2 3.45Å; D708-Y710 PolarHBondContact OD2-OH 3Å; Y710-L734 HydrophobicContact CG-CD1 4.4Å; Y710-V746 HydrophobicContact CD1-CG1 3.82Å; Y710-V746 HydrophobicContact CG-CG1 4.27Å; Y710-V747 CarbonylContact C-O 3.58Å; Y710-V747 WeakPolarHBondContact CA-O 3.21Å; Y710-L748 HydrophobicContact CD1-CB 4.01Å; Y710-L748 HydrophobicContact CD1-CD1 4.05Å; Y710-L748 HydrophobicContact CE1-CB 3.86Å; Y710-L748 HydrophobicContact CE1-CD1 3.7Å; Y710-L748 HydrophobicContact CE1-CG 4.33Å; Y710-L748 HydrophobicContact CE2-CD1 4.32Å; Y710-L748 HydrophobicContact CG-CD1 4.49Å
711	V	87.9	Confident	80.2	Confident	66 Å²	66	80.4 Å²	80.4	40%	0.4	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	132.9	165.8	177.7	0	0	0	0	108.4	V747 Q749	V711-V747 PolarHBondContact N-O 2.92Å; V711-V747 PolarHBondContact O-N 3.27Å; V711-Q749 HydrophobicContact CG2-CB 4.08Å; V711-Q749 HydrophobicContact CG2-CG 3.65Å
712	M	88.1	Confident	81.9	Confident	38 Å²	38	77.4 Å²	77.4	19%	0.187	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	142.3	179.5	-31.5	85.2	160.1	0	0	111.2	F729 P733 L734 A737 T745 V746	M712-F729 HydrophobicContact CB-CE2 4.45Å; M712-F729 HydrophobicContact CB-CZ 3.78Å; M712-P733 HydrophobicContact CE-CB 4.03Å; M712-P733 HydrophobicContact CE-CG 3.89Å; M712-P733 HydrophobicContact SD-CB 3.56Å; M712-P733 VanDerWaalsContact SD-CB 3.56Å; M712-P733 HydrophobicContact SD-CG 3.86Å; M712-L734 VanDerWaalsContact CE-CA 3.43Å; M712-L734 HydrophobicContact CE-CB 3.4Å; M712-L734 VanDerWaalsContact CE-CB 3.4Å; M712-L734 HydrophobicContact CE-CD1 3.79Å; M712-L734 HydrophobicContact CE-CG 4.14Å; M712-L734 VanDerWaalsContact CE-N 3.26Å; M712-L734 HydrophobicContact CG-CD1 4.48Å; M712-A737 HydrophobicContact CB-CB 3.71Å; M712-A737 HydrophobicContact CG-CB 4.1Å; M712-T745 CarbonylContact C-O 3.51Å; M712-T745 VanDerWaalsContact CA-O 3.23Å; M712-T745 WeakPolarHBondContact CA-O 3.4Å; M712-V746 HydrophobicContact CB-CG2 4.25Å; M712-V746 HydrophobicContact CG-CG1 4.2Å; M712-V746 HydrophobicContact CG-CG2 4.02Å
713	A	90	Very high	83.4	Confident	60 Å²	60	82.3 Å²	82.3	50%	0.496	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	139.5	175.2	0	0	0	0	0	110.7	C744 T745	A713-C744 CarbonylContact O-C 3.57Å; A713-C744 VanDerWaalsContact O-CA 3.23Å; A713-C744 WeakPolarHBondContact O-CA 3.41Å; A713-T745 PolarHBondContact N-O 3.05Å; A713-T745 PolarHBondContact O-N 3.13Å
714	C	88.7	Confident	84.8	Confident	38 Å²	38	83.3 Å²	83.3	26%	0.257	45%	0.451	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	139.9	174.1	-62	0	0	0	0	111	T716 L719 F729 L743 C744	C714-T716 PolarHBondContact O-N 3.35Å; C714-L719 HydrophobicContact CB-CD2 4.34Å; C714-F729 WeakPolarHBondContact SG-CE2 3.37Å; C714-L743 CarbonylContact C-O 3.45Å; C714-L743 WeakPolarHBondContact CA-O 3.2Å; C714-C744 HydrophobicContact CB-CB 4.06Å; C714-C744 WeakPolarHBondContact CB-SG 3.44Å; C714-C744 WeakPolarHBondContact SG-CB 3.23Å; C714-C744 CovalentContact SG-SG 2.03Å; C714-C744 PolarHBondContact SG-SG 2.87Å
715	Q	89.2	Confident	85.6	Confident	162 Å²	162	81.7 Å²	81.7	76%	0.757	44%	0.441	S	S	*	.	S	Bend	trans	-67.9	-17	179.3	-65.8	-178.5	-12.8	0	0	113.3	L743	Q715-L743 PolarHBondContact N-O 3.31Å
716	T	88.7	Confident	86.4	Confident	49 Å²	49	82.8 Å²	82.8	30%	0.301	45%	0.45	S	S	.	.			trans	-147.8	148.1	-176.4	176.8	0	0	0	0	110.5	C714 I718 L719 L743	C714-T716 PolarHBondContact O-N 3.35Å; T716-I718 WeakPolarHBondContact CG2-O 3.49Å; T716-I718 PolarHBondContact OG1-N 2.96Å; T716-I718 VanDerWaalsContact OG1-N 3.07Å; T716-L719 HydrophobicContact CG2-CD2 4.45Å; T716-L743 HydrophobicContact CG2-CD1 4.19Å; T716-L743 HydrophobicContact CG2-CD2 4.25Å
717	S	84.8	Confident	87	Confident	80 Å²	80	76.7 Å²	76.7	56%	0.559	44%	0.435	S	S	*	.	S	Bend	trans	-82.2	-1.3	170.5	56.8	0	0	0	0	113.1	P725	S717-P725 VanDerWaalsContact O-CB 3.26Å; S717-P725 WeakPolarHBondContact O-CB 3.34Å; S717-P725 VanDerWaalsContact O-CG 3.25Å; S717-P725 WeakPolarHBondContact O-CG 3.48Å
718	I	88.1	Confident	87.4	Confident	130 Å²	130	73.9 Å²	73.9	67%	0.667	43%	0.426	S	S	*	.			trans	-103	93.1	175.3	-54.5	174.9	0	0	0	107.8	T716	T716-I718 WeakPolarHBondContact CG2-O 3.49Å; T716-I718 PolarHBondContact OG1-N 2.96Å; T716-I718 VanDerWaalsContact OG1-N 3.07Å
719	L	88.9	Confident	87.7	Confident	7 Å²	7	72.4 Å²	72.4	4%	0.037	42%	0.416	C	S	.	.			trans	-97.2	118.3	175.6	-61.9	178	0	0	0	109.8	C714 T716 G721 E722 P725 I736 H740 L743	C714-L719 HydrophobicContact CB-CD2 4.34Å; T716-L719 HydrophobicContact CG2-CD2 4.45Å; L719-G721 PolarHBondContact O-N 3.26Å; L719-E722 HydrophobicContact CB-CB 4.16Å; L719-E722 HydrophobicContact CB-CG 4.06Å; L719-E722 PolarHBondContact O-N 3.3Å; L719-E722 VanDerWaalsContact O-N 3.15Å; L719-P725 HydrophobicContact CB-CB 3.95Å; L719-P725 HydrophobicContact CB-CG 4.08Å; L719-P725 HydrophobicContact CD1-CB 4.03Å; L719-P725 HydrophobicContact CG-CB 3.97Å; L719-I736 HydrophobicContact CD1-CG2 3.34Å; L719-H740 HydrophobicContact CD2-CB 4.15Å; L719-L743 HydrophobicContact CD2-CB 4.13Å; L719-L743 HydrophobicContact CD2-CD1 4.05Å
720	P	87.8	Confident	87.8	Confident	93 Å²	93	76.9 Å²	76.9	60%	0.604	43%	0.432	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	122.4	-176.2	-24.5	33.3	0	0	0	112.4	H740 L743	P720-H740 PolarHBondContact O-CE1 3.12Å; P720-H740 VanDerWaalsContact O-CE1 3.22Å; P720-L743 HydrophobicContact CG-CD1 4.36Å
721	G	89.4	Confident	87.9	Confident	79 Å²	79	76.8 Å²	76.8	81%	0.814	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.3	-10.1	178.7	0	0	0	0	0	115.1	L719	L719-G721 PolarHBondContact O-N 3.26Å
722	E	88.5	Confident	87.9	Confident	26 Å²	26	81.4 Å²	81.4	12%	0.121	46%	0.455	C	S	.	.			trans	-91.1	127.3	173.5	-64.2	-53.9	140	0	0	109.8	L719 P725 Q728 I736 R739 H740	L719-E722 HydrophobicContact CB-CB 4.16Å; L719-E722 HydrophobicContact CB-CG 4.06Å; L719-E722 PolarHBondContact O-N 3.3Å; L719-E722 VanDerWaalsContact O-N 3.15Å; E722-P725 HydrophobicContact CB-CB 4.24Å; E722-P725 HydrophobicContact CB-CG 3.87Å; E722-Q728 VanDerWaalsContact OE2-CD 3.23Å; E722-Q728 PolarHBondContact OE2-NE2 3.28Å; E722-Q728 PolarHBondContact OE2-OE1 3.1Å; E722-I736 HydrophobicContact CG-CD1 4.23Å; E722-I736 WeakPolarHBondContact OE2-CD1 3.47Å; E722-R739 IonicContact OE1-CZ 2.99Å; E722-R739 IonicContact OE1-NE 3.85Å; E722-R739 IonicContact OE1-NH1 2.66Å; E722-R739 PolarHBondContact OE1-NH1 3.14Å; E722-R739 IonicContact OE1-NH2 3.08Å; E722-R739 PolarHBondContact OE1-NH2 3.42Å; E722-R739 VanDerWaalsContact OE1-NH2 3.08Å; E722-R739 IonicContact OE2-CZ 3.91Å; E722-R739 IonicContact OE2-NH1 3.79Å; E722-R739 IonicContact OE2-NH2 3.25Å; E722-R739 PolarHBondContact OE2-NH2 2.77Å; E722-H740 WeakPolarHBondContact CG-NE2 3.22Å; E722-H740 IonicContact OE1-NE2 3.17Å
723	K	85.2	Confident	88	Confident	211 Å²	211	81.7 Å²	81.7	92%	0.917	46%	0.459	S	S	*	.	S	Bend	trans	-73.7	-32.2	-174	-71.7	-176.5	179.6	178.4	0	112.5
724	D	89.1	Confident	87.8	Confident	85 Å²	85	81.8 Å²	81.8	46%	0.455	45%	0.452	S	S	.	.	S	Bend	trans	-146.1	79.9	174.8	-173.4	-9.6	0	0	0	108.5	V726 A727 Q728	D724-V726 PolarHBondContact O-N 3.3Å; D724-V726 VanDerWaalsContact O-N 3.13Å; D724-A727 HydrophobicContact CB-CB 4.32Å; D724-A727 PolarHBondContact O-N 3.02Å; D724-A727 PolarHBondContact OD1-N 3.48Å; D724-A727 VanDerWaalsContact OD2-CB 3.3Å; D724-A727 WeakPolarHBondContact OD2-CB 3.19Å; D724-Q728 VanDerWaalsContact C-OE1 3.31Å; D724-Q728 VanDerWaalsContact N-OE1 3.1Å; D724-Q728 VanDerWaalsContact O-CB 3.3Å; D724-Q728 WeakPolarHBondContact O-CB 3.49Å; D724-Q728 WeakPolarHBondContact O-CG 3.37Å; D724-Q728 PolarHBondContact O-N 3.42Å; D724-Q728 PolarHBondContact O-OE1 3.23Å
725	P	85.5	Confident	87.8	Confident	18 Å²	18	83.8 Å²	83.8	12%	0.117	46%	0.459	C	S	.	.	H	α-helix	trans	-56.9	-33.6	-172.3	-24	32.3	0	0	0	112.9	S717 L719 E722 F729	S717-P725 VanDerWaalsContact O-CB 3.26Å; S717-P725 WeakPolarHBondContact O-CB 3.34Å; S717-P725 VanDerWaalsContact O-CG 3.25Å; S717-P725 WeakPolarHBondContact O-CG 3.48Å; L719-P725 HydrophobicContact CB-CB 3.95Å; L719-P725 HydrophobicContact CB-CG 4.08Å; L719-P725 HydrophobicContact CD1-CB 4.03Å; L719-P725 HydrophobicContact CG-CB 3.97Å; E722-P725 HydrophobicContact CB-CB 4.24Å; E722-P725 HydrophobicContact CB-CG 3.87Å; P725-F729 WeakPolarHBondContact O-CB 3.42Å; P725-F729 PolarHBondContact O-N 3.2Å
726	V	87.7	Confident	87.8	Confident	75 Å²	75	76.1 Å²	76.1	46%	0.455	42%	0.424	S	S	.	.	H	α-helix	trans	-71.2	-54	-176.9	-179.6	0	0	0	0	110.2	D724 Q728 F729 E730	D724-V726 PolarHBondContact O-N 3.3Å; D724-V726 VanDerWaalsContact O-N 3.13Å; V726-Q728 VanDerWaalsContact C-N 3.29Å; V726-Q728 PolarHBondContact O-N 3.12Å; V726-F729 PolarHBondContact O-N 3.45Å; V726-E730 PolarHBondContact O-N 3.38Å
727	A	87.9	Confident	87.9	Confident	44 Å²	44	73.9 Å²	73.9	36%	0.364	41%	0.41	S	S	.	.	H	α-helix	trans	-64.7	-34.7	178.9	0	0	0	0	0	112.3	D724 S731	D724-A727 HydrophobicContact CB-CB 4.32Å; D724-A727 PolarHBondContact O-N 3.02Å; D724-A727 PolarHBondContact OD1-N 3.48Å; D724-A727 VanDerWaalsContact OD2-CB 3.3Å; D724-A727 WeakPolarHBondContact OD2-CB 3.19Å; A727-S731 PolarHBondContact O-N 3.19Å; A727-S731 PolarHBondContact O-OG 3.35Å
728	Q	87.8	Confident	88.1	Confident	56 Å²	56	73.5 Å²	73.5	26%	0.262	41%	0.407	S	S	.	.	H	α-helix	trans	-70.4	-38.7	176.6	-66.8	175.3	-76.8	0	0	111.8	E722 D724 V726 S731 R732 I736	E722-Q728 VanDerWaalsContact OE2-CD 3.23Å; E722-Q728 PolarHBondContact OE2-NE2 3.28Å; E722-Q728 PolarHBondContact OE2-OE1 3.1Å; D724-Q728 VanDerWaalsContact C-OE1 3.31Å; D724-Q728 VanDerWaalsContact N-OE1 3.1Å; D724-Q728 VanDerWaalsContact O-CB 3.3Å; D724-Q728 WeakPolarHBondContact O-CB 3.49Å; D724-Q728 WeakPolarHBondContact O-CG 3.37Å; D724-Q728 PolarHBondContact O-N 3.42Å; D724-Q728 PolarHBondContact O-OE1 3.23Å; V726-Q728 VanDerWaalsContact C-N 3.29Å; V726-Q728 PolarHBondContact O-N 3.12Å; Q728-S731 PolarHBondContact O-N 3.18Å; Q728-S731 PolarHBondContact O-OG 3.49Å; Q728-S731 VanDerWaalsContact O-OG 3.07Å; Q728-R732 PolarHBondContact O-N 3.03Å; Q728-I736 HydrophobicContact CB-CD1 3.58Å; Q728-I736 HydrophobicContact CB-CG1 4.1Å
729	F	89.6	Confident	88.2	Confident	47 Å²	47	73.9 Å²	73.9	21%	0.206	40%	0.401	C	S	.	.	H	α-helix	trans	-67.6	-37.1	176.9	-162.6	-88.9	0	0	0	111.8	M712 C714 P725 V726 S731 P733 I736 A737	M712-F729 HydrophobicContact CB-CE2 4.45Å; M712-F729 HydrophobicContact CB-CZ 3.78Å; C714-F729 WeakPolarHBondContact SG-CE2 3.37Å; P725-F729 WeakPolarHBondContact O-CB 3.42Å; P725-F729 PolarHBondContact O-N 3.2Å; V726-F729 PolarHBondContact O-N 3.45Å; F729-S731 VanDerWaalsContact C-N 3.3Å; F729-S731 PolarHBondContact O-N 3.17Å; F729-P733 HydrophobicContact CD1-CB 3.98Å; F729-P733 HydrophobicContact CE1-CB 3.85Å; F729-P733 HydrophobicContact CE2-CB 4.49Å; F729-P733 HydrophobicContact CG-CB 4.38Å; F729-P733 HydrophobicContact CZ-CB 4.14Å; F729-P733 WeakPolarHBondContact O-CA 3.48Å; F729-P733 WeakPolarHBondContact O-CB 3.47Å; F729-P733 VanDerWaalsContact O-CD 3.22Å; F729-P733 WeakPolarHBondContact O-CD 3.46Å; F729-P733 VanDerWaalsContact O-N 3.11Å; F729-I736 HydrophobicContact CB-CG2 4.41Å; F729-I736 HydrophobicContact CD2-CB 3.84Å; F729-I736 HydrophobicContact CD2-CG2 3.63Å; F729-I736 HydrophobicContact CE2-CG2 4.45Å; F729-A737 HydrophobicContact CE2-CB 3.93Å; F729-A737 HydrophobicContact CZ-CB 4.49Å
730	E	86.4	Confident	88.4	Confident	161 Å²	161	74.8 Å²	74.8	75%	0.752	40%	0.404	S	S	*	.	H	α-helix	trans	-62.6	-36.4	174	-74.9	-178	170.3	0	0	112.8	V726	V726-E730 PolarHBondContact O-N 3.38Å
731	S	87.6	Confident	88.5	Confident	87 Å²	87	74.8 Å²	74.8	61%	0.608	40%	0.404	S	S	*	.	H	α-helix	trans	-85.5	-34.2	-177.8	57.3	0	0	0	0	114.1	A727 Q728 F729	A727-S731 PolarHBondContact O-N 3.19Å; A727-S731 PolarHBondContact O-OG 3.35Å; Q728-S731 PolarHBondContact O-N 3.18Å; Q728-S731 PolarHBondContact O-OG 3.49Å; Q728-S731 VanDerWaalsContact O-OG 3.07Å; F729-S731 VanDerWaalsContact C-N 3.3Å; F729-S731 PolarHBondContact O-N 3.17Å
732	R	88.2	Confident	88.6	Confident	163 Å²	163	78.2 Å²	78.2	62%	0.615	40%	0.404	S	S	*	.			trans	-143.9	67.8	-177.9	-58.7	-171.3	-174.7	-169.9	-0.4	111.5	Q728 L734 D735 I736	Q728-R732 PolarHBondContact O-N 3.03Å; R732-L734 VanDerWaalsContact C-N 3.26Å; R732-L734 PolarHBondContact O-N 3.07Å; R732-D735 HydrophobicContact CB-CB 4.07Å; R732-D735 WeakPolarHBondContact CD-OD2 3.41Å; R732-D735 IonicContact NH1-OD2 3.87Å; R732-D735 PolarHBondContact O-N 2.93Å; R732-I736 VanDerWaalsContact O-CG1 3.27Å; R732-I736 WeakPolarHBondContact O-CG1 3.44Å; R732-I736 PolarHBondContact O-N 3.25Å; R732-I736 VanDerWaalsContact O-N 3.14Å
733	P	88.8	Confident	88.8	Confident	44 Å²	44	79.3 Å²	79.3	29%	0.286	41%	0.411	S	S	.	.	H	α-helix	trans	-63.6	-32.5	-170.6	24.2	-33.3	0	0	0	112.7	M712 F729 A737	M712-P733 HydrophobicContact CE-CB 4.03Å; M712-P733 HydrophobicContact CE-CG 3.89Å; M712-P733 HydrophobicContact SD-CB 3.56Å; M712-P733 VanDerWaalsContact SD-CB 3.56Å; M712-P733 HydrophobicContact SD-CG 3.86Å; F729-P733 HydrophobicContact CD1-CB 3.98Å; F729-P733 HydrophobicContact CE1-CB 3.85Å; F729-P733 HydrophobicContact CE2-CB 4.49Å; F729-P733 HydrophobicContact CG-CB 4.38Å; F729-P733 HydrophobicContact CZ-CB 4.14Å; F729-P733 WeakPolarHBondContact O-CA 3.48Å; F729-P733 WeakPolarHBondContact O-CB 3.47Å; F729-P733 VanDerWaalsContact O-CD 3.22Å; F729-P733 WeakPolarHBondContact O-CD 3.46Å; F729-P733 VanDerWaalsContact O-N 3.11Å; P733-A737 WeakPolarHBondContact O-CB 3.22Å; P733-A737 PolarHBondContact O-N 3.31Å
734	L	86.9	Confident	89.1	Confident	63 Å²	63	69.7 Å²	69.7	33%	0.33	37%	0.37	S	S	.	.	H	α-helix	trans	-67.5	-54.3	178	-166.6	59.4	0	0	0	111.8	Y710 M712 R732 I736 A737 S738 V746	Y710-L734 HydrophobicContact CG-CD1 4.4Å; M712-L734 VanDerWaalsContact CE-CA 3.43Å; M712-L734 HydrophobicContact CE-CB 3.4Å; M712-L734 VanDerWaalsContact CE-CB 3.4Å; M712-L734 HydrophobicContact CE-CD1 3.79Å; M712-L734 HydrophobicContact CE-CG 4.14Å; M712-L734 VanDerWaalsContact CE-N 3.26Å; M712-L734 HydrophobicContact CG-CD1 4.48Å; R732-L734 VanDerWaalsContact C-N 3.26Å; R732-L734 PolarHBondContact O-N 3.07Å; L734-I736 PolarHBondContact O-N 2.95Å; L734-A737 PolarHBondContact O-N 2.88Å; L734-S738 VanDerWaalsContact O-CB 3.26Å; L734-S738 WeakPolarHBondContact O-CB 2.91Å; L734-S738 PolarHBondContact O-N 2.73Å; L734-S738 PolarHBondContact O-OG 2.96Å; L734-S738 VanDerWaalsContact O-OG 3.09Å; L734-V746 HydrophobicContact CD1-CG1 3.71Å; L734-V746 HydrophobicContact CD1-CG2 4.36Å
735	D	88.1	Confident	89.2	Confident	79 Å²	79	69.7 Å²	69.7	42%	0.422	37%	0.373	S	S	.	.	H	α-helix	trans	-58.1	-35.1	-179.2	-65.3	-9.1	0	0	0	111.9	R732 R739	R732-D735 HydrophobicContact CB-CB 4.07Å; R732-D735 WeakPolarHBondContact CD-OD2 3.41Å; R732-D735 IonicContact NH1-OD2 3.87Å; R732-D735 PolarHBondContact O-N 2.93Å; D735-R739 VanDerWaalsContact O-CG 3.3Å; D735-R739 WeakPolarHBondContact O-CG 3.27Å; D735-R739 PolarHBondContact O-NE 3.32Å; D735-R739 VanDerWaalsContact O-NE 3.08Å
736	I	89.8	Confident	89.5	Confident	2 Å²	2	71.3 Å²	71.3	1%	0.01	38%	0.382	C	S	.	.	H	α-helix	trans	-76.1	-51.6	177.9	-59.7	-75	0	0	0	110.4	L719 E722 Q728 F729 R732 L734 S738 R739 H740	L719-I736 HydrophobicContact CD1-CG2 3.34Å; E722-I736 HydrophobicContact CG-CD1 4.23Å; E722-I736 WeakPolarHBondContact OE2-CD1 3.47Å; Q728-I736 HydrophobicContact CB-CD1 3.58Å; Q728-I736 HydrophobicContact CB-CG1 4.1Å; F729-I736 HydrophobicContact CB-CG2 4.41Å; F729-I736 HydrophobicContact CD2-CB 3.84Å; F729-I736 HydrophobicContact CD2-CG2 3.63Å; F729-I736 HydrophobicContact CE2-CG2 4.45Å; R732-I736 VanDerWaalsContact O-CG1 3.27Å; R732-I736 WeakPolarHBondContact O-CG1 3.44Å; R732-I736 PolarHBondContact O-N 3.25Å; R732-I736 VanDerWaalsContact O-N 3.14Å; L734-I736 PolarHBondContact O-N 2.95Å; I736-S738 VanDerWaalsContact C-N 3.32Å; I736-S738 PolarHBondContact O-N 2.81Å; I736-R739 PolarHBondContact O-N 3.11Å; I736-R739 VanDerWaalsContact O-N 3.16Å; I736-H740 PolarHBondContact O-CD2 3.13Å; I736-H740 VanDerWaalsContact O-CD2 3.25Å; I736-H740 PolarHBondContact O-N 3.4Å
737	A	89.9	Confident	89.4	Confident	1 Å²	1	71.5 Å²	71.5	1%	0.008	38%	0.384	C	S	.	.	H	α-helix	trans	-59.5	-42.3	-179.4	0	0	0	0	0	112.3	M712 F729 P733 L734 R739 H740 C744 V746	M712-A737 HydrophobicContact CB-CB 3.71Å; M712-A737 HydrophobicContact CG-CB 4.1Å; F729-A737 HydrophobicContact CE2-CB 3.93Å; F729-A737 HydrophobicContact CZ-CB 4.49Å; P733-A737 WeakPolarHBondContact O-CB 3.22Å; P733-A737 PolarHBondContact O-N 3.31Å; L734-A737 PolarHBondContact O-N 2.88Å; A737-R739 VanDerWaalsContact C-N 3.28Å; A737-R739 PolarHBondContact O-N 3.49Å; A737-H740 CarbonylContact O-C 3.15Å; A737-H740 PolarHBondContact O-N 3.12Å; A737-H740 VanDerWaalsContact O-N 3.15Å; A737-C744 HydrophobicContact CB-CB 3.91Å; A737-V746 HydrophobicContact CB-CG2 3.49Å; A737-V746 VanDerWaalsContact CB-CG2 3.49Å
738	S	89.1	Confident	89.4	Confident	72 Å²	72	73.3 Å²	73.3	50%	0.503	39%	0.387	S	S	.	.	H	α-helix	trans	-66.3	-25.3	179.3	-66.5	0	0	0	0	113.7	L734 I736 H740	L734-S738 VanDerWaalsContact O-CB 3.26Å; L734-S738 WeakPolarHBondContact O-CB 2.91Å; L734-S738 PolarHBondContact O-N 2.73Å; L734-S738 PolarHBondContact O-OG 2.96Å; L734-S738 VanDerWaalsContact O-OG 3.09Å; I736-S738 VanDerWaalsContact C-N 3.32Å; I736-S738 PolarHBondContact O-N 2.81Å; S738-H740 VanDerWaalsContact C-N 3.34Å
739	R	90.8	Very high	89.1	Confident	139 Å²	139	76.9 Å²	76.9	53%	0.525	40%	0.403	S	S	.	.	H	α-helix	trans	-79.7	-15.6	175.1	-76.6	-172.6	-73.1	153.3	3.4	113.5	E722 D735 I736 A737 P741	E722-R739 IonicContact OE1-CZ 2.99Å; E722-R739 IonicContact OE1-NE 3.85Å; E722-R739 IonicContact OE1-NH1 2.66Å; E722-R739 PolarHBondContact OE1-NH1 3.14Å; E722-R739 IonicContact OE1-NH2 3.08Å; E722-R739 PolarHBondContact OE1-NH2 3.42Å; E722-R739 VanDerWaalsContact OE1-NH2 3.08Å; E722-R739 IonicContact OE2-CZ 3.91Å; E722-R739 IonicContact OE2-NH1 3.79Å; E722-R739 IonicContact OE2-NH2 3.25Å; E722-R739 PolarHBondContact OE2-NH2 2.77Å; D735-R739 VanDerWaalsContact O-CG 3.3Å; D735-R739 WeakPolarHBondContact O-CG 3.27Å; D735-R739 PolarHBondContact O-NE 3.32Å; D735-R739 VanDerWaalsContact O-NE 3.08Å; I736-R739 PolarHBondContact O-N 3.11Å; I736-R739 VanDerWaalsContact O-N 3.16Å; A737-R739 VanDerWaalsContact C-N 3.28Å; A737-R739 PolarHBondContact O-N 3.49Å; R739-P741 VanDerWaalsContact C-CD 3.41Å; R739-P741 WeakPolarHBondContact O-CD 3.18Å
740	H	92.2	Very high	88.6	Confident	25 Å²	25	77.4 Å²	77.4	12%	0.116	41%	0.41	C	S	.	.			trans	-125.9	58.7	-178.9	-56.4	-69.2	0	0	0	112.4	L719 P720 E722 I736 A737 S738 N742 L743 C744	L719-H740 HydrophobicContact CD2-CB 4.15Å; P720-H740 PolarHBondContact O-CE1 3.12Å; P720-H740 VanDerWaalsContact O-CE1 3.22Å; E722-H740 WeakPolarHBondContact CG-NE2 3.22Å; E722-H740 IonicContact OE1-NE2 3.17Å; I736-H740 PolarHBondContact O-CD2 3.13Å; I736-H740 VanDerWaalsContact O-CD2 3.25Å; I736-H740 PolarHBondContact O-N 3.4Å; A737-H740 CarbonylContact O-C 3.15Å; A737-H740 PolarHBondContact O-N 3.12Å; A737-H740 VanDerWaalsContact O-N 3.15Å; S738-H740 VanDerWaalsContact C-N 3.34Å; H740-N742 PolarHBondContact O-N 3.1Å; H740-L743 HydrophobicContact CB-CB 4.32Å; H740-L743 CarbonylContact O-C 3.59Å; H740-L743 PolarHBondContact O-N 3.17Å; H740-C744 WeakPolarHBondContact O-CB 3.09Å; H740-C744 PolarHBondContact O-N 3.1Å
741	P	90.4	Very high	88.3	Confident	93 Å²	93	73.2 Å²	73.2	60%	0.604	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-19.8	-173.9	26.9	-36.4	0	0	0	114.4	R739	R739-P741 VanDerWaalsContact C-CD 3.41Å; R739-P741 WeakPolarHBondContact O-CD 3.18Å
742	N	91.3	Very high	87.9	Confident	152 Å²	152	74.8 Å²	74.8	81%	0.813	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-16.8	175.6	-64.8	-21.8	0	0	0	113.4	H740	H740-N742 PolarHBondContact O-N 3.1Å
743	L	92.2	Very high	86.9	Confident	49 Å²	49	71 Å²	71	26%	0.257	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-118.2	-17.5	-176.4	-61.9	175.2	0	0	0	112.2	C714 Q715 T716 L719 P720 H740	C714-L743 CarbonylContact C-O 3.45Å; C714-L743 WeakPolarHBondContact CA-O 3.2Å; Q715-L743 PolarHBondContact N-O 3.31Å; T716-L743 HydrophobicContact CG2-CD1 4.19Å; T716-L743 HydrophobicContact CG2-CD2 4.25Å; L719-L743 HydrophobicContact CD2-CB 4.13Å; L719-L743 HydrophobicContact CD2-CD1 4.05Å; P720-L743 HydrophobicContact CG-CD1 4.36Å; H740-L743 HydrophobicContact CB-CB 4.32Å; H740-L743 CarbonylContact O-C 3.59Å; H740-L743 PolarHBondContact O-N 3.17Å
744	C	92.7	Very high	85.8	Confident	8 Å²	8	71.1 Å²	71.1	5%	0.054	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.3	-174.9	-52.2	0	0	0	0	111.3	A713 C714 A737 H740	A713-C744 CarbonylContact O-C 3.57Å; A713-C744 VanDerWaalsContact O-CA 3.23Å; A713-C744 WeakPolarHBondContact O-CA 3.41Å; C714-C744 HydrophobicContact CB-CB 4.06Å; C714-C744 WeakPolarHBondContact CB-SG 3.44Å; C714-C744 WeakPolarHBondContact SG-CB 3.23Å; C714-C744 CovalentContact SG-SG 2.03Å; C714-C744 PolarHBondContact SG-SG 2.87Å; A737-C744 HydrophobicContact CB-CB 3.91Å; H740-C744 WeakPolarHBondContact O-CB 3.09Å; H740-C744 PolarHBondContact O-N 3.1Å
745	T	91.3	Very high	84.6	Confident	85 Å²	85	71.7 Å²	71.7	52%	0.521	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	134.2	176.5	-54.1	0	0	0	0	108.9	M712 A713 V747	M712-T745 CarbonylContact C-O 3.51Å; M712-T745 VanDerWaalsContact CA-O 3.23Å; M712-T745 WeakPolarHBondContact CA-O 3.4Å; A713-T745 PolarHBondContact N-O 3.05Å; A713-T745 PolarHBondContact O-N 3.13Å; T745-V747 HydrophobicContact CG2-CG2 3.87Å
746	V	90.3	Very high	83	Confident	52 Å²	52	71.4 Å²	71.4	32%	0.315	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	125.8	171.7	-178.7	0	0	0	0	108.1	Y710 M712 L734 A737	Y710-V746 HydrophobicContact CD1-CG1 3.82Å; Y710-V746 HydrophobicContact CG-CG1 4.27Å; M712-V746 HydrophobicContact CB-CG2 4.25Å; M712-V746 HydrophobicContact CG-CG1 4.2Å; M712-V746 HydrophobicContact CG-CG2 4.02Å; L734-V746 HydrophobicContact CD1-CG1 3.71Å; L734-V746 HydrophobicContact CD1-CG2 4.36Å; A737-V746 HydrophobicContact CB-CG2 3.49Å; A737-V746 VanDerWaalsContact CB-CG2 3.49Å
747	V	86.2	Confident	81.2	Confident	80 Å²	80	73.7 Å²	73.7	49%	0.485	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	124.6	-179.9	-176.7	0	0	0	0	108.7	Y710 V711 T745 Q749	Y710-V747 CarbonylContact C-O 3.58Å; Y710-V747 WeakPolarHBondContact CA-O 3.21Å; V711-V747 PolarHBondContact N-O 2.92Å; V711-V747 PolarHBondContact O-N 3.27Å; T745-V747 HydrophobicContact CG2-CG2 3.87Å; V747-Q749 PolarHBondContact O-N 2.92Å
748	L	87.2	Confident	79.5	Confident	82 Å²	82	77.8 Å²	77.8	43%	0.429	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	114.4	167.5	179.5	66.5	0	0	0	108.2	D708 Y710 T750	D708-L748 HydrophobicContact CB-CD1 3.66Å; Y710-L748 HydrophobicContact CD1-CB 4.01Å; Y710-L748 HydrophobicContact CD1-CD1 4.05Å; Y710-L748 HydrophobicContact CE1-CB 3.86Å; Y710-L748 HydrophobicContact CE1-CD1 3.7Å; Y710-L748 HydrophobicContact CE1-CG 4.33Å; Y710-L748 HydrophobicContact CE2-CD1 4.32Å; Y710-L748 HydrophobicContact CG-CD1 4.49Å; L748-T750 WeakPolarHBondContact CD1-O 3.41Å
749	Q	81.7	Confident	77.5	Confident	131 Å²	131	81.6 Å²	81.6	61%	0.612	44%	0.442	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	-46.1	-178.9	-118.7	-151.9	5.6	0	0	111.8	V709 V711 V747	V709-Q749 PolarHBondContact O-N 2.93Å; V711-Q749 HydrophobicContact CG2-CB 4.08Å; V711-Q749 HydrophobicContact CG2-CG 3.65Å; V747-Q749 PolarHBondContact O-N 2.92Å
750	T	80.4	Confident	75.4	Confident	57 Å²	57	82.2 Å²	82.2	35%	0.35	47%	0.468	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	153	179.5	76.9	0	0	0	0	110.1	V709 L748	V709-T750 WeakPolarHBondContact CG2-OG1 3.42Å; V709-T750 PolarHBondContact N-O 3.38Å; V709-T750 PolarHBondContact O-N 3.14Å; L748-T750 WeakPolarHBondContact CD1-O 3.41Å
751	S	80.2	Confident	74.5	Confident	74 Å²	74	85.1 Å²	85.1	52%	0.517	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	123.2	166.4	-64.5	0	0	0	0	107.2	Y707 D708	Y707-S751 CarbonylContact O-C 3.6Å; Y707-S751 WeakPolarHBondContact O-CA 3.44Å; D708-S751 WeakPolarHBondContact OD1-CB 3.47Å; D708-S751 PolarHBondContact OD1-OG 2.93Å
752	E	79.1	Confident	73.7	Confident	119 Å²	119	84.7 Å²	84.7	56%	0.556	48%	0.479	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	142.1	174.9	-65.2	-167.6	176	0	0	109.6	Y707	Y707-E752 PolarHBondContact N-O 3.44Å; Y707-E752 PolarHBondContact O-N 3.09Å
753	T	66.7	Low	72.7	Confident	85 Å²	85	80.9 Å²	80.9	52%	0.521	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	123.1	172.5	-51.8	0	0	0	0	107.8	V704 D705 Y706	V704-T753 HydrophobicContact CG1-CG2 3.59Å; D705-T753 CarbonylContact O-C 3.56Å; D705-T753 WeakPolarHBondContact O-CA 3.16Å; Y706-T753 HydrophobicContact CD1-CG2 4.04Å; Y706-T753 HydrophobicContact CE1-CG2 3.88Å
754	T	65.3	Low	71.6	Confident	46 Å²	46	82.8 Å²	82.8	28%	0.282	47%	0.472	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	133.1	172.1	55.5	0	0	0	0	109.6	D705 Y707	D705-T754 VanDerWaalsContact CB-OG1 3.29Å; D705-T754 WeakPolarHBondContact CB-OG1 3.21Å; D705-T754 PolarHBondContact N-O 3.09Å; D705-T754 PolarHBondContact O-N 2.94Å; Y707-T754 HydrophobicContact CD2-CG2 3.9Å; Y707-T754 HydrophobicContact CE2-CG2 3.64Å; Y707-T754 WeakPolarHBondContact CE2-OG1 3.46Å
755	V	61.4	Low	70.2	Confident	75 Å²	75	87.5 Å²	87.5	46%	0.455	50%	0.498	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	117.9	174.9	-176.8	0	0	0	0	107.4	E702 D703 V704	E702-V755 HydrophobicContact CB-CG1 4.28Å; D703-V755 CarbonylContact O-C 3.59Å; D703-V755 WeakPolarHBondContact O-CA 3.28Å; V704-V755 HydrophobicContact CG1-CG2 4.46Å; V704-V755 HydrophobicContact CG2-CG1 4.46Å; V704-V755 HydrophobicContact CG2-CG2 4.32Å
756	T	54	Low	68.8	Low	73 Å²	73	87.7 Å²	87.7	45%	0.448	50%	0.497	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	132.4	174.5	-48.6	0	0	0	0	108.2	D703	D703-T756 CarbonylContact C-O 3.53Å; D703-T756 WeakPolarHBondContact CA-O 3.14Å; D703-T756 VanDerWaalsContact CB-O 3.26Å; D703-T756 WeakPolarHBondContact CB-O 3.38Å; D703-T756 PolarHBondContact N-O 2.67Å; D703-T756 PolarHBondContact O-N 3.18Å
757	L	53.8	Low	67.3	Low	50 Å²	50	90.2 Å²	90.2	26%	0.262	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	124.1	-178.9	-62.1	167.5	0	0	0	109.1	N602 I603 E702	N602-L757 HydrophobicContact CB-CD1 4.24Å; I603-L757 HydrophobicContact CD1-CD1 4.1Å; I603-L757 HydrophobicContact CG1-CD1 3.47Å; I603-L757 VanDerWaalsContact CG1-CD1 3.47Å; E702-L757 HydrophobicContact CB-CD2 4.33Å; E702-L757 HydrophobicContact CG-CD2 3.7Å
758	I	54.2	Low	65.8	Low	86 Å²	86	91 Å²	91	44%	0.441	51%	0.512	S	S	.	.	P	Polyproline II helix	trans	-100.8	126.4	177.6	-58.5	178.4	0	0	0	108.6	I700 V701 D703 S760	I700-I758 WeakPolarHBondContact CG2-O 3.33Å; V701-I758 PolarHBondContact N-O 2.73Å; V701-I758 PolarHBondContact O-N 3.46Å; D703-I758 HydrophobicContact CB-CD1 3.62Å; D703-I758 HydrophobicContact CB-CG1 3.86Å; I758-S760 PolarHBondContact O-N 3.06Å
759	E	45.5	Very low	64.1	Low	152 Å²	152	91.8 Å²	91.8	71%	0.71	52%	0.519	S	S	*	.	P	Polyproline II helix	trans	-53.7	120.4	167.8	-82.2	-172.2	158.2	0	0	111.2	I700	I700-E759 HydrophobicContact CG2-CB 4.42Å; I700-E759 HydrophobicContact CG2-CG 4.41Å
760	S	46.6	Very low	62.5	Low	153 Å²	153	88.2 Å²	88.2	100%	1.07	51%	0.51	S	S	*	.			trans	-65	0	176.6	63	0	0	0	0	112.6	I758	I758-S760 PolarHBondContact O-N 3.06Å

Retrieved 760 of 760 residues in 1136.6 ms (Link to these results)

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