A0A5K4F395_SCHMA Loading...

GPS domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4F395, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 936 aa.

						>A0A5K4F395_SCHMA|A0A5K4F395
MSLNSMCYFNQRFLRYLFTCFLEVSLTKTAIITVSSTLTRLNKPLEWNDSLLDPNSDLYRDYSTQICDLLLHSINSTYIKGIINVTCTVVGFSRGSVIGNAMLVIDYSSTSENFSSAVVTEDTVRNAVVEYIAEIVANGSDQIYFGTSSGLTIETVIDAATTEMITESQDTEAYKTTGEETTDTTEVTTEIDITETDITETDITETEVMETERTTAVSSTLTRLNKPLEWNDSLLDPNSDLYRDYSTQICDLGIINVTCTVVGFSRGSVIGNAMLVIDYSSTSENFSSAVVTEDTVRNAVVEYIAEIVANGSDQIYFGTSSGLTIETVIDAATTEMITESQDTEAYKTTGEETTDTTEVTTEIDITETDITETEVMETERTTGGIFLYDSEVSLTKTAIITVSSTLTRLNKPLEWNDSLLDPNSDLYRDYSTQICDLLLHSINSTYIKGIINVTCTVVGFSRGSVIGNAMLVIDYSSTSENFSSAVVTEDTVRNAVVEYIAEIVANGSDQIYFGTSSGLTIETVIDAATTEMITESQDTEAYKTTGEETTDTTEVTTEIDITETDITETEVMETERTTEVSLTKTAIITVSSTLTRLNKPLEWNDSLLDPNSDLYRDYSTQICDLLLHSINSTYIKGIINVTCTVVGFSRGSVIGNAMLVIDYSSTSENFSSAVVTEDTVRNAVVEYIAEIVANGSDQIYFGTSSGLTIETVIDAATTEMITESQDTEAYKTTETTELSKTTFSTKSILELSMTVEILTGNQQTNWNSELSNKFSGLYNSTGEKICTLIKASPRYITSVLFTVPTCTVLRFYPGSVKSDVQIIVEYINNLNVTQTQILQAIQLGSQLYVMDQLKNQSIDSSRILSFKLIMQKETCSTIAAKCSPHAQCIERSDGAICICNPMWVDLNVQQPGEQCISTFSYVIPSVSPSLLHPQKL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	26.5	Very low	24.6	Very low	239 Å²	239	157.4 Å²	157.4	100%	1.177	82%	0.823	S	S	*	*				0	116.4	0	-82.5	173.7	168	0	0	106.5	L3	M1-L3 PolarHBondContact O-N 3.48Å
2	S	26.5	Very low	24.8	Very low	117 Å²	117	163.5 Å²	163.5	82%	0.818	83%	0.827	S	S	*	*			trans	-70.7	117.1	179.1	44.4	0	0	0	0	109.9	N4	S2-N4 PolarHBondContact O-N 3.41Å
3	L	25.9	Very low	24.9	Very low	159 Å²	159	163.4 Å²	163.4	83%	0.832	82%	0.818	S	S	*	*			trans	-77.5	70.3	172.4	-86.8	114.8	0	0	0	110	M1	M1-L3 PolarHBondContact O-N 3.48Å
4	N	23.8	Very low	24.8	Very low	160 Å²	160	164.9 Å²	164.9	86%	0.856	83%	0.829	S	S	*	*			trans	-98.7	75.9	155.5	-99.9	-17.2	0	0	0	107.1	S2	S2-N4 PolarHBondContact O-N 3.41Å
5	S	25.3	Very low	25	Very low	90 Å²	90	169.2 Å²	169.2	63%	0.629	83%	0.831	S	S	*	*			trans	-114.6	100.6	173.9	62.4	0	0	0	0	111.4
6	M	22.7	Very low	25.1	Very low	152 Å²	152	170 Å²	170	75%	0.749	82%	0.824	S	S	*	*			trans	54.8	87.5	140.5	-66.5	178.5	114.6	0	0	118.4	Y8	M6-Y8 HydrophobicContact CE-CD2 3.51Å; M6-Y8 HydrophobicContact CE-CE2 3.56Å; M6-Y8 HydrophobicContact CG-CD2 4.42Å
7	C	23.7	Very low	25	Very low	131 Å²	131	170.2 Å²	170.2	89%	0.885	83%	0.828	S	S	*	*			trans	-95.5	93.6	139.2	-88.2	0	0	0	0	108	F9	C7-F9 PolarHBondContact O-N 3.21Å
8	Y	23.9	Very low	24.9	Very low	187 Å²	187	171 Å²	171	73%	0.733	83%	0.828	S	S	*	*			trans	-77.9	115.3	-179.6	-132.8	-92.3	0	0	0	109.9	M6 N10	M6-Y8 HydrophobicContact CE-CD2 3.51Å; M6-Y8 HydrophobicContact CE-CE2 3.56Å; M6-Y8 HydrophobicContact CG-CD2 4.42Å; Y8-N10 PolarHBondContact O-N 2.99Å
9	F	22.3	Very low	24.9	Very low	173 Å²	173	167.4 Å²	167.4	76%	0.759	82%	0.817	S	S	*	*			trans	-62.1	115	175.4	-145.6	-102.1	0	0	0	110.1	C7 Q11	C7-F9 PolarHBondContact O-N 3.21Å; F9-Q11 HydrophobicContact CD1-CG 4.31Å; F9-Q11 HydrophobicContact CE1-CG 4.05Å
10	N	24	Very low	24.8	Very low	150 Å²	150	164.1 Å²	164.1	80%	0.802	81%	0.81	S	S	*	*			trans	-132.7	105.1	172	-130	-29.4	0	0	0	111	Y8 R12	Y8-N10 PolarHBondContact O-N 2.99Å; N10-R12 PolarHBondContact O-N 3.33Å
11	Q	26.2	Very low	24.7	Very low	173 Å²	173	164.9 Å²	164.9	81%	0.808	81%	0.81	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.2	28.1	-161.8	-112	-178.9	-9.7	0	0	116.6	F9	F9-Q11 HydrophobicContact CD1-CG 4.31Å; F9-Q11 HydrophobicContact CE1-CG 4.05Å
12	R	26.9	Very low	24.6	Very low	231 Å²	231	160 Å²	160	87%	0.872	79%	0.788	S	S	*	*	T	Hydrogen-bonded Turn	trans	-131.2	4	-170.4	-100.2	-174.4	177.3	-171.3	-0.3	119.2	N10	N10-R12 PolarHBondContact O-N 3.33Å
13	F	25.5	Very low	24.5	Very low	162 Å²	162	163.2 Å²	163.2	71%	0.711	79%	0.79	S	S	*	*			trans	-138.5	72.1	-178.3	-99.6	-89.7	0	0	0	112.8	R15 Y16	F13-R15 PolarHBondContact O-N 2.78Å; F13-Y16 AromaticContact CD1-CD2 3.99Å; F13-Y16 HydrophobicContact CD1-CD2 3.99Å; F13-Y16 HydrophobicContact CD1-CE2 4.26Å; F13-Y16 HydrophobicContact CE1-CD2 4.4Å; F13-Y16 HydrophobicContact CE1-CE2 4.2Å
14	L	24.5	Very low	24.5	Very low	185 Å²	185	160.8 Å²	160.8	97%	0.969	78%	0.781	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.5	27.3	172.2	-100	157.4	0	0	0	113.7
15	R	27	Very low	24.8	Very low	229 Å²	229	156.7 Å²	156.7	86%	0.864	77%	0.765	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.7	3	-174.6	-94.4	-170	-179.6	-160.8	-0.4	116.5	F13	F13-R15 PolarHBondContact O-N 2.78Å
16	Y	26.7	Very low	25.1	Very low	182 Å²	182	157.9 Å²	157.9	71%	0.714	76%	0.764	S	S	*	*			trans	-118.3	104.7	173.3	-78.8	-81.3	0	0	0	109.8	F13 F18	F13-Y16 AromaticContact CD1-CD2 3.99Å; F13-Y16 HydrophobicContact CD1-CD2 3.99Å; F13-Y16 HydrophobicContact CD1-CE2 4.26Å; F13-Y16 HydrophobicContact CE1-CD2 4.4Å; F13-Y16 HydrophobicContact CE1-CE2 4.2Å; Y16-F18 PolarHBondContact O-N 3.16Å
17	L	23.6	Very low	26	Very low	173 Å²	173	153.7 Å²	153.7	91%	0.906	75%	0.747	S	S	*	*			trans	-44	105.6	157.4	-74.7	135.6	0	0	0	108.6
18	F	23.3	Very low	27.5	Very low	185 Å²	185	153.3 Å²	153.3	81%	0.811	73%	0.73	S	S	*	*			trans	-114.6	106.3	157.7	-102.8	-85.3	0	0	0	106.7	Y16 C20	Y16-F18 PolarHBondContact O-N 3.16Å; F18-C20 PolarHBondContact O-N 2.9Å
19	T	24.3	Very low	29.3	Very low	102 Å²	102	146 Å²	146	63%	0.626	71%	0.705	S	S	*	*			trans	-46.1	94.6	161	44.9	0	0	0	0	109.4	F21	T19-F21 VanDerWaalsContact C-N 3.26Å; T19-F21 PolarHBondContact O-N 3.38Å; T19-F21 VanDerWaalsContact O-N 3.08Å
20	C	23.1	Very low	31.5	Very low	101 Å²	101	137.9 Å²	137.9	68%	0.682	67%	0.669	S	S	*	*			trans	-66.8	101	150.6	-84.1	0	0	0	0	105.1	F18 L22	F18-C20 PolarHBondContact O-N 2.9Å; C20-L22 PolarHBondContact O-N 2.92Å
21	F	22.6	Very low	33.8	Very low	182 Å²	182	132.5 Å²	132.5	80%	0.798	64%	0.641	S	S	*	*			trans	-60.9	84.4	158.9	-75.9	-92.3	0	0	0	106.5	T19 E23	T19-F21 VanDerWaalsContact C-N 3.26Å; T19-F21 PolarHBondContact O-N 3.38Å; T19-F21 VanDerWaalsContact O-N 3.08Å; F21-E23 VanDerWaalsContact C-N 3.26Å; F21-E23 PolarHBondContact O-N 3.14Å
22	L	24.2	Very low	36.3	Very low	137 Å²	137	124.3 Å²	124.3	72%	0.717	60%	0.602	S	S	*	*			trans	-71.5	101.3	146.9	-91.2	113.8	0	0	0	103.8	C20 V24	C20-L22 PolarHBondContact O-N 2.92Å; L22-V24 HydrophobicContact CB-CG2 3.9Å; L22-V24 HydrophobicContact CD2-CG2 4.4Å; L22-V24 PolarHBondContact O-N 2.89Å
23	E	24.4	Very low	39.1	Very low	184 Å²	184	115.2 Å²	115.2	86%	0.86	57%	0.572	S	S	*	*			trans	-55.1	88.9	144.2	-76.2	175.9	165.3	0	0	105.2	F21 S25	F21-E23 VanDerWaalsContact C-N 3.26Å; F21-E23 PolarHBondContact O-N 3.14Å; E23-S25 PolarHBondContact O-N 3Å
24	V	26.5	Very low	42	Very low	107 Å²	107	107.5 Å²	107.5	65%	0.648	54%	0.539	S	S	*	.			trans	-72	84.5	160.2	-175.8	0	0	0	0	103	L22 L26	L22-V24 HydrophobicContact CB-CG2 3.9Å; L22-V24 HydrophobicContact CD2-CG2 4.4Å; L22-V24 PolarHBondContact O-N 2.89Å; V24-L26 PolarHBondContact O-N 3.35Å
25	S	30.1	Very low	44.9	Very low	74 Å²	74	99.7 Å²	99.7	52%	0.517	50%	0.5	S	S	.	.			trans	-45.5	112.9	154.8	168.2	0	0	0	0	104.9	E23 T27	E23-S25 PolarHBondContact O-N 3Å; S25-T27 WeakPolarHBondContact O-CG2 2.93Å; S25-T27 PolarHBondContact O-N 3.07Å
26	L	31.6	Very low	47.9	Very low	116 Å²	116	89 Å²	89	61%	0.607	46%	0.459	S	S	*	.			trans	-61	87.8	174.9	-84.1	138.7	0	0	0	106.4	V24 K28	V24-L26 PolarHBondContact O-N 3.35Å; L26-K28 PolarHBondContact O-N 3.39Å
27	T	42.1	Very low	50.8	Low	63 Å²	63	81.2 Å²	81.2	39%	0.387	43%	0.431	S	S	.	.			trans	-70.9	98.3	-179.9	52.1	0	0	0	0	105.9	S25 T29	S25-T27 WeakPolarHBondContact O-CG2 2.93Å; S25-T27 PolarHBondContact O-N 3.07Å; T27-T29 PolarHBondContact O-N 2.68Å; T27-T29 PolarHBondContact O-OG1 2.92Å
28	K	55.3	Low	54	Low	124 Å²	124	73 Å²	73	54%	0.539	39%	0.388	S	S	.	.			trans	-52.5	116.4	165.1	-79.2	-172.4	178.1	-173.1	0	105.5	L26 Y107 A160	L26-K28 PolarHBondContact O-N 3.39Å; K28-Y107 HydrophobicContact CB-CD2 3.79Å; K28-Y107 HydrophobicContact CB-CG 4.32Å; K28-Y107 WeakPolarHBondContact O-CB 3.44Å; K28-Y107 WeakPolarHBondContact O-CD2 3.32Å; K28-Y107 PolarHBondContact O-N 3.33Å; K28-A160 HydrophobicContact CD-CB 4.42Å
29	T	61.5	Low	57.2	Low	33 Å²	33	64.5 Å²	64.5	20%	0.202	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	125.5	-177.5	-40.8	0	0	0	0	106.9	T27 V104 I105 A159	T27-T29 PolarHBondContact O-N 2.68Å; T27-T29 PolarHBondContact O-OG1 2.92Å; T29-V104 HydrophobicContact CG2-CG1 3.41Å; T29-V104 VanDerWaalsContact CG2-CG1 3.41Å; T29-I105 CarbonylContact C-O 3.53Å; T29-I105 VanDerWaalsContact CA-O 3.26Å; T29-I105 WeakPolarHBondContact CA-O 3.42Å; T29-I105 WeakPolarHBondContact CG2-O 3.28Å; T29-A159 PolarHBondContact O-N 2.8Å
30	A	68.2	Low	60.2	Low	2 Å²	2	64.3 Å²	64.3	2%	0.017	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	139.6	170	0	0	0	0	0	109.5	V104 I105 Y107 I157	A30-V104 WeakPolarHBondContact O-CA 3.26Å; A30-I105 HydrophobicContact CB-CB 4.24Å; A30-I105 PolarHBondContact N-O 2.92Å; A30-I105 PolarHBondContact O-N 2.59Å; A30-Y107 HydrophobicContact CB-CE2 3.72Å; A30-I157 WeakPolarHBondContact CA-O 3.25Å
31	I	72.8	Confident	63.2	Low	38 Å²	38	64 Å²	64	20%	0.195	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	119.2	174.3	-56.1	-177.9	0	0	0	108.1	M102 L103 V104 V156 I157	I31-M102 HydrophobicContact CG2-CG 3.61Å; I31-M102 HydrophobicContact CG2-SD 3.61Å; I31-L103 CarbonylContact C-O 3.54Å; I31-L103 WeakPolarHBondContact CA-O 3.04Å; I31-V104 HydrophobicContact CG1-CG2 4.41Å; I31-V156 HydrophobicContact CB-CB 4.46Å; I31-V156 HydrophobicContact CG2-CB 4.28Å; I31-V156 PolarHBondContact O-N 2.76Å; I31-I157 HydrophobicContact CD1-CB 4.44Å; I31-I157 HydrophobicContact CD1-CD1 4.1Å; I31-I157 HydrophobicContact CD1-CG1 4.47Å; I31-I157 HydrophobicContact CG1-CB 4.5Å; I31-I157 PolarHBondContact N-O 2.78Å; I31-I157 VanDerWaalsContact N-O 3.08Å
32	I	78.8	Confident	66	Low	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	130	-178.5	-61	178.4	0	0	0	108.9	M102 L103 I105 V119 V124 I153 E154 T155	I32-M102 CarbonylContact O-C 3.18Å; I32-M102 WeakPolarHBondContact O-CA 3.27Å; I32-L103 HydrophobicContact CB-CB 4.4Å; I32-L103 PolarHBondContact N-O 2.88Å; I32-L103 PolarHBondContact O-N 3.34Å; I32-I105 HydrophobicContact CD1-CD1 3.63Å; I32-I105 HydrophobicContact CG1-CD1 4.34Å; I32-V119 HydrophobicContact CD1-CG1 4.17Å; I32-V124 HydrophobicContact CD1-CG2 3.59Å; I32-I153 HydrophobicContact CG2-CG2 3.66Å; I32-E154 CarbonylContact C-O 3.57Å; I32-E154 WeakPolarHBondContact CA-O 3.32Å; I32-T155 HydrophobicContact CG1-CG2 4.5Å
33	T	85.3	Confident	68.8	Low	40 Å²	40	61.4 Å²	61.4	25%	0.245	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	140	173.9	45.7	0	0	0	0	110.9	A101 M102 I153 E154 V156	T33-A101 CarbonylContact C-O 3.47Å; T33-A101 WeakPolarHBondContact CA-O 3.47Å; T33-M102 HydrophobicContact CG2-CB 4.42Å; T33-M102 HydrophobicContact CG2-CG 4.33Å; T33-I153 VanDerWaalsContact O-CA 3.31Å; T33-I153 WeakPolarHBondContact O-CA 3.29Å; T33-E154 PolarHBondContact N-O 2.83Å; T33-E154 PolarHBondContact O-N 2.68Å; T33-E154 PolarHBondContact OG1-O 2.87Å; T33-V156 HydrophobicContact CG2-CG2 3.63Å
34	V	86.4	Confident	71.8	Confident	1 Å²	1	54 Å²	54	1%	0.006	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.7	177.9	-173.9	0	0	0	0	108.6	L70 A101 L103 F145 L151 T152 I153	V34-L70 HydrophobicContact CB-CD1 4.43Å; V34-L70 HydrophobicContact CG1-CD2 4.24Å; V34-L70 HydrophobicContact CG2-CD1 4.42Å; V34-L70 HydrophobicContact CG2-CD2 4.22Å; V34-A101 PolarHBondContact N-O 3.38Å; V34-A101 PolarHBondContact O-N 3.34Å; V34-L103 HydrophobicContact CG2-CD1 3.93Å; V34-F145 HydrophobicContact CG1-CD2 4.39Å; V34-F145 HydrophobicContact CG1-CE1 4.36Å; V34-F145 HydrophobicContact CG1-CE2 4.02Å; V34-F145 HydrophobicContact CG1-CZ 3.96Å; V34-L151 HydrophobicContact CG1-CD1 3.8Å; V34-T152 WeakPolarHBondContact CA-O 3.36Å; V34-I153 HydrophobicContact CB-CG1 4.48Å; V34-I153 HydrophobicContact CG1-CG1 4.05Å; V34-I153 HydrophobicContact CG2-CG1 4.19Å
35	S	86.2	Confident	74.7	Confident	21 Å²	21	49.5 Å²	49.5	15%	0.147	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	137.2	174.6	-167.5	0	0	0	0	111.8	I98 G99 N100 T152	S35-I98 WeakPolarHBondContact OG-CG2 3.39Å; S35-G99 WeakPolarHBondContact CA-O 3.28Å; S35-G99 PolarHBondContact OG-O 3.4Å; S35-N100 WeakPolarHBondContact CB-OD1 3.08Å; S35-N100 PolarHBondContact OG-OD1 2.7Å; S35-T152 WeakPolarHBondContact CB-OG1 3.27Å; S35-T152 PolarHBondContact N-O 2.67Å; S35-T152 PolarHBondContact O-N 2.83Å; S35-T152 PolarHBondContact O-OG1 2.97Å; S35-T152 VanDerWaalsContact O-OG1 3.11Å
36	S	88	Confident	77.4	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.021	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-166	168.8	168.5	-168.1	0	0	0	0	110.4	I98 G99 G146	S36-I98 WeakPolarHBondContact O-CA 3.44Å; S36-G99 PolarHBondContact N-O 2.92Å; S36-G99 PolarHBondContact O-N 3.29Å; S36-G146 PolarHBondContact OG-O 3.31Å
37	T	88.8	Confident	80.1	Confident	19 Å²	19	51.7 Å²	51.7	12%	0.117	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	129.7	167.5	-60.7	0	0	0	0	110.1	P44 S96 G146 S149	T37-P44 HydrophobicContact CG2-CB 3.89Å; T37-P44 HydrophobicContact CG2-CG 4.22Å; T37-S96 WeakPolarHBondContact CG2-O 3.48Å; T37-G146 PolarHBondContact O-N 2.94Å; T37-S149 VanDerWaalsContact CB-CB 3.5Å
38	L	90.3	Very high	82.3	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	137.5	179.4	-61.6	179.3	0	0	0	111.7	P44 L45 Y62 I66 F92 V97 I143 F145	L38-P44 WeakPolarHBondContact O-CA 3.4Å; L38-L45 HydrophobicContact CB-CD1 3.83Å; L38-L45 HydrophobicContact CB-CG 4.49Å; L38-L45 PolarHBondContact O-N 3.35Å; L38-Y62 HydrophobicContact CD1-CD1 4.49Å; L38-I66 HydrophobicContact CD1-CD1 3.43Å; L38-I66 VanDerWaalsContact CD1-CD1 3.43Å; L38-I66 HydrophobicContact CD1-CG1 4.28Å; L38-I66 HydrophobicContact CD2-CD1 3.84Å; L38-I66 HydrophobicContact CD2-CG1 4.04Å; L38-I66 HydrophobicContact CG-CD1 4.29Å; L38-F92 HydrophobicContact CD1-CD1 3.97Å; L38-F92 HydrophobicContact CD1-CE1 3.74Å; L38-V97 WeakPolarHBondContact CB-O 3.3Å; L38-V97 HydrophobicContact CD1-CG1 3.9Å; L38-V97 WeakPolarHBondContact CG-O 3.35Å; L38-V97 PolarHBondContact N-O 3.04Å; L38-I143 HydrophobicContact CB-CG2 4.04Å; L38-I143 HydrophobicContact CD1-CG2 4.24Å; L38-I143 HydrophobicContact CD2-CG2 4.3Å; L38-I143 HydrophobicContact CG-CG2 4.44Å; L38-F145 HydrophobicContact CD2-CD1 3.61Å; L38-F145 HydrophobicContact CD2-CE1 3.74Å; L38-F145 HydrophobicContact CD2-CG 4.36Å
39	T	89.8	Confident	83.8	Confident	7 Å²	7	50.6 Å²	50.6	4%	0.043	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	146.1	-172.3	-56	0	0	0	0	109.7	N42 K43 I143 Y144	T39-N42 VanDerWaalsContact CG2-C 3.5Å; T39-N42 VanDerWaalsContact CG2-CA 3.48Å; T39-K43 WeakPolarHBondContact CA-O 3.37Å; T39-I143 WeakPolarHBondContact O-CA 3.43Å; T39-Y144 HydrophobicContact CG2-CE2 3.95Å; T39-Y144 PolarHBondContact N-O 3.06Å; T39-Y144 PolarHBondContact O-N 3.08Å
40	R	89.1	Confident	85.2	Confident	98 Å²	98	51.4 Å²	51.4	37%	0.37	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	129.4	169.6	-177.9	172.9	62.1	-175.7	-2.2	108.7	N42 K43 L45 D141	R40-N42 VanDerWaalsContact C-N 3.25Å; R40-N42 PolarHBondContact O-N 3.13Å; R40-K43 PolarHBondContact N-O 3.45Å; R40-K43 PolarHBondContact O-N 2.92Å; R40-L45 HydrophobicContact CB-CD2 3.81Å; R40-D141 WeakPolarHBondContact CD-O 3.42Å; R40-D141 WeakPolarHBondContact CD-OD1 3.31Å; R40-D141 WeakPolarHBondContact CG-O 2.93Å; R40-D141 VanDerWaalsContact CG-OD1 3.23Å; R40-D141 WeakPolarHBondContact CG-OD1 3.23Å; R40-D141 IonicContact NE-OD1 3.56Å
41	L	85.4	Confident	86.1	Confident	95 Å²	95	51.5 Å²	51.5	50%	0.497	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	50.1	44.5	-175	-60	172.8	0	0	0	113	K43 S140 D141	L41-K43 PolarHBondContact O-N 3.45Å; L41-S140 WeakPolarHBondContact CD2-O 3.46Å; L41-D141 VanDerWaalsContact CD1-OD1 3.27Å; L41-D141 WeakPolarHBondContact CD1-OD1 3.28Å; L41-D141 HydrophobicContact CD2-CB 4.35Å; L41-D141 HydrophobicContact CG-CB 4.48Å; L41-D141 WeakPolarHBondContact CG-OD1 3.3Å
42	N	81	Confident	86.5	Confident	109 Å²	109	54.6 Å²	54.6	58%	0.583	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	22.6	-177.2	-67.7	-36.8	0	0	0	114.9	T39 R40 Y144	T39-N42 VanDerWaalsContact CG2-C 3.5Å; T39-N42 VanDerWaalsContact CG2-CA 3.48Å; R40-N42 VanDerWaalsContact C-N 3.25Å; R40-N42 PolarHBondContact O-N 3.13Å; N42-Y144 VanDerWaalsContact CA-OH 3.3Å; N42-Y144 WeakPolarHBondContact CA-OH 3.05Å; N42-Y144 PolarHBondContact N-OH 3.01Å; N42-Y144 PolarHBondContact OD1-OH 2.92Å
43	K	84.2	Confident	86.8	Confident	156 Å²	156	58.3 Å²	58.3	68%	0.678	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-120.7	127.8	171.5	-66.8	-173.6	178.1	-176.1	0	110.7	T39 R40 L41	T39-K43 WeakPolarHBondContact CA-O 3.37Å; R40-K43 PolarHBondContact N-O 3.45Å; R40-K43 PolarHBondContact O-N 2.92Å; L41-K43 PolarHBondContact O-N 3.45Å
44	P	85.9	Confident	86.5	Confident	29 Å²	29	59.8 Å²	59.8	19%	0.188	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	145	174.7	-34.9	47.1	0	0	0	112.1	T37 L38 N238	T37-P44 HydrophobicContact CG2-CB 3.89Å; T37-P44 HydrophobicContact CG2-CG 4.22Å; L38-P44 WeakPolarHBondContact O-CA 3.4Å; P44-N238 WeakPolarHBondContact CD-OD1 3.29Å; P44-N238 VanDerWaalsContact CG-CG 3.49Å; P44-N238 WeakPolarHBondContact CG-ND2 3.4Å; P44-N238 WeakPolarHBondContact CG-OD1 3.36Å
45	L	88.1	Confident	86.5	Confident	12 Å²	12	66 Å²	66	6%	0.063	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-75	140.2	-176.1	-65.9	173.4	0	0	0	110.3	L38 R40 Y62 S96 V97 I143	L38-L45 HydrophobicContact CB-CD1 3.83Å; L38-L45 HydrophobicContact CB-CG 4.49Å; L38-L45 PolarHBondContact O-N 3.35Å; R40-L45 HydrophobicContact CB-CD2 3.81Å; L45-Y62 HydrophobicContact CD1-CD1 4.27Å; L45-Y62 HydrophobicContact CD1-CE1 3.55Å; L45-S96 CarbonylContact O-C 3.54Å; L45-S96 VanDerWaalsContact O-C 3.24Å; L45-V97 HydrophobicContact CB-CB 4.05Å; L45-V97 HydrophobicContact CB-CG2 3.91Å; L45-V97 WeakPolarHBondContact O-CG2 2.95Å; L45-I143 HydrophobicContact CD1-CD1 3.93Å; L45-I143 HydrophobicContact CD1-CG1 3.98Å; L45-I143 HydrophobicContact CD1-CG2 3.79Å
46	E	87.6	Confident	86.7	Confident	176 Å²	176	65.9 Å²	65.9	82%	0.822	34%	0.339	S	S	*	.	P	Polyproline II helix	trans	-78.9	140.8	173.1	-69.7	-173.5	175.1	0	0	110.7	N48 V97	E46-N48 PolarHBondContact O-N 3.39Å; E46-V97 WeakPolarHBondContact O-CG2 3.35Å
47	W	87.6	Confident	86.9	Confident	59 Å²	59	71.1 Å²	71.1	22%	0.223	37%	0.366	C	S	.	.	P	Polyproline II helix	trans	-62.9	134.3	179.6	-178.7	-97.2	0	0	0	112.6	D49 L51 L52 F92 S93 R94 V97	W47-D49 PolarHBondContact NE1-OD1 3.08Å; W47-L51 HydrophobicContact CE3-CD1 4.22Å; W47-L51 HydrophobicContact CH2-CB 4.05Å; W47-L51 HydrophobicContact CZ2-CB 4.42Å; W47-L51 HydrophobicContact CZ3-CB 4.24Å; W47-L51 HydrophobicContact CZ3-CD1 4.2Å; W47-L52 HydrophobicContact CH2-CD2 4.04Å; W47-L52 HydrophobicContact CH2-CG 4.44Å; W47-L52 HydrophobicContact CZ2-CD1 4.38Å; W47-L52 HydrophobicContact CZ2-CD2 3.67Å; W47-L52 HydrophobicContact CZ2-CG 3.73Å; W47-F92 HydrophobicContact CH2-CB 4.23Å; W47-F92 HydrophobicContact CZ3-CB 3.92Å; W47-S93 WeakPolarHBondContact CZ3-O 3.39Å; W47-R94 HydrophobicContact CD2-CB 4.39Å; W47-R94 HydrophobicContact CD2-CG 3.66Å; W47-R94 HydrophobicContact CE3-CG 4.14Å; W47-R94 HydrophobicContact CG-CG 4.17Å; W47-R94 HydrophobicContact CH2-CG 3.95Å; W47-R94 HydrophobicContact CZ2-CG 3.43Å; W47-R94 VanDerWaalsContact CZ2-CG 3.43Å; W47-R94 HydrophobicContact CZ3-CG 4.28Å; W47-V97 HydrophobicContact CE3-CG2 4.1Å
48	N	88.8	Confident	87	Confident	72 Å²	72	72.3 Å²	72.3	39%	0.385	37%	0.372	S	S	.	.			trans	-127	127.8	170.5	-172.8	-44.7	0	0	0	109.3	E46 S50 L51 L58	E46-N48 PolarHBondContact O-N 3.39Å; N48-S50 PolarHBondContact O-N 3.21Å; N48-S50 VanDerWaalsContact OD1-CB 3.26Å; N48-S50 WeakPolarHBondContact OD1-CB 3.32Å; N48-S50 PolarHBondContact OD1-N 2.72Å; N48-S50 PolarHBondContact OD1-OG 3.44Å; N48-L51 VanDerWaalsContact O-CB 3.29Å; N48-L51 WeakPolarHBondContact O-CB 3.4Å; N48-L51 WeakPolarHBondContact O-CG 3.47Å; N48-L51 PolarHBondContact O-N 3Å; N48-L58 HydrophobicContact CB-CD2 3.56Å
49	D	87.1	Confident	87.1	Confident	92 Å²	92	73.8 Å²	73.8	49%	0.492	38%	0.377	S	S	.	.	G	3₁₀ helix	trans	-60.9	-16.5	-178.3	-74.6	-21	0	0	0	114	W47 L51 L52 R94	W47-D49 PolarHBondContact NE1-OD1 3.08Å; D49-L51 PolarHBondContact O-N 3.09Å; D49-L52 WeakPolarHBondContact O-CB 3.2Å; D49-L52 PolarHBondContact O-N 3.26Å; D49-R94 IonicContact OD1-CZ 2.85Å; D49-R94 IonicContact OD1-NE 3.93Å; D49-R94 IonicContact OD1-NH2 3.42Å; D49-R94 PolarHBondContact OD1-NH2 3.38Å; D49-R94 IonicContact OD2-NH2 3.28Å
50	S	90.4	Very high	87.1	Confident	51 Å²	51	79.9 Å²	79.9	36%	0.357	40%	0.4	S	S	.	.	G	3₁₀ helix	trans	-61.4	-24	170.9	-49.7	0	0	0	0	112.3	N48 L52 D53 S56	N48-S50 PolarHBondContact O-N 3.21Å; N48-S50 VanDerWaalsContact OD1-CB 3.26Å; N48-S50 WeakPolarHBondContact OD1-CB 3.32Å; N48-S50 PolarHBondContact OD1-N 2.72Å; N48-S50 PolarHBondContact OD1-OG 3.44Å; S50-L52 PolarHBondContact O-N 3.16Å; S50-D53 PolarHBondContact O-N 3.04Å; S50-D53 VanDerWaalsContact O-N 3.14Å; S50-S56 WeakPolarHBondContact O-CB 3.42Å; S50-S56 PolarHBondContact O-OG 3.19Å
51	L	87.6	Confident	87.3	Confident	3 Å²	3	78.7 Å²	78.7	2%	0.016	40%	0.401	C	S	.	.	G	3₁₀ helix	trans	-70.1	-7.6	174.3	-62.4	174.4	0	0	0	113.5	W47 N48 D49 L58 Y59 Y62 F92 V97	W47-L51 HydrophobicContact CE3-CD1 4.22Å; W47-L51 HydrophobicContact CH2-CB 4.05Å; W47-L51 HydrophobicContact CZ2-CB 4.42Å; W47-L51 HydrophobicContact CZ3-CB 4.24Å; W47-L51 HydrophobicContact CZ3-CD1 4.2Å; N48-L51 VanDerWaalsContact O-CB 3.29Å; N48-L51 WeakPolarHBondContact O-CB 3.4Å; N48-L51 WeakPolarHBondContact O-CG 3.47Å; N48-L51 PolarHBondContact O-N 3Å; D49-L51 PolarHBondContact O-N 3.09Å; L51-L58 HydrophobicContact CD2-CD2 4.07Å; L51-L58 HydrophobicContact CD2-CG 3.93Å; L51-L58 HydrophobicContact CG-CD2 4.07Å; L51-L58 HydrophobicContact CG-CG 4.49Å; L51-Y59 VanDerWaalsContact O-CD2 3.28Å; L51-Y59 WeakPolarHBondContact O-CD2 3.21Å; L51-Y62 HydrophobicContact CD1-CD1 4.21Å; L51-Y62 HydrophobicContact CD1-CE1 4.1Å; L51-Y62 HydrophobicContact CD2-CD1 3.69Å; L51-Y62 HydrophobicContact CD2-CE1 4.16Å; L51-Y62 HydrophobicContact CD2-CG 4.1Å; L51-F92 HydrophobicContact CB-CB 4.13Å; L51-F92 HydrophobicContact CB-CD2 4.17Å; L51-F92 HydrophobicContact CB-CG 4.31Å; L51-F92 HydrophobicContact CD1-CB 4.47Å; L51-F92 HydrophobicContact CD1-CG 4.5Å; L51-F92 HydrophobicContact CD2-CD2 4.02Å; L51-F92 HydrophobicContact CD2-CE2 4.2Å; L51-F92 HydrophobicContact CD2-CG 4.31Å; L51-V97 HydrophobicContact CD1-CB 4.49Å; L51-V97 HydrophobicContact CD1-CG1 3.65Å; L51-V97 HydrophobicContact CD1-CG2 3.91Å
52	L	80.8	Confident	87.6	Confident	104 Å²	104	75 Å²	75	55%	0.545	38%	0.38	S	S	.	.	G	3₁₀ helix	trans	-83.3	-19.2	170.1	-63.7	172.2	0	0	0	112.8	W47 D49 S50 P54	W47-L52 HydrophobicContact CH2-CD2 4.04Å; W47-L52 HydrophobicContact CH2-CG 4.44Å; W47-L52 HydrophobicContact CZ2-CD1 4.38Å; W47-L52 HydrophobicContact CZ2-CD2 3.67Å; W47-L52 HydrophobicContact CZ2-CG 3.73Å; D49-L52 WeakPolarHBondContact O-CB 3.2Å; D49-L52 PolarHBondContact O-N 3.26Å; S50-L52 PolarHBondContact O-N 3.16Å; L52-P54 WeakPolarHBondContact O-CD 3.39Å
53	D	83.8	Confident	88.1	Confident	77 Å²	77	70.6 Å²	70.6	41%	0.412	36%	0.358	S	S	.	.			trans	-102.1	108.7	179.2	179.2	6.8	0	0	0	109.9	S50 N55 S56 Y59	S50-D53 PolarHBondContact O-N 3.04Å; S50-D53 VanDerWaalsContact O-N 3.14Å; D53-N55 PolarHBondContact O-N 3.1Å; D53-N55 WeakPolarHBondContact OD1-CB 3.38Å; D53-N55 PolarHBondContact OD1-N 2.91Å; D53-N55 PolarHBondContact OD1-ND2 3.22Å; D53-S56 WeakPolarHBondContact O-CB 3.41Å; D53-S56 PolarHBondContact O-N 2.82Å; D53-S56 PolarHBondContact O-OG 3.38Å; D53-Y59 VanDerWaalsContact O-CB 3.29Å; D53-Y59 WeakPolarHBondContact O-CB 3.31Å
54	P	80.2	Confident	88.5	Confident	71 Å²	71	66.4 Å²	66.4	46%	0.461	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-18.8	177.9	-24	34	0	0	0	114.6	L52 Y59	L52-P54 WeakPolarHBondContact O-CD 3.39Å; P54-Y59 HydrophobicContact CB-CD1 4.29Å; P54-Y59 HydrophobicContact CB-CE1 4.07Å; P54-Y59 WeakPolarHBondContact O-CD1 3.09Å
55	N	86.8	Confident	88.9	Confident	133 Å²	133	67.1 Å²	67.1	71%	0.711	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.4	-6.4	178.7	-55.2	-70.9	0	0	0	113.4	D53	D53-N55 PolarHBondContact O-N 3.1Å; D53-N55 WeakPolarHBondContact OD1-CB 3.38Å; D53-N55 PolarHBondContact OD1-N 2.91Å; D53-N55 PolarHBondContact OD1-ND2 3.22Å
56	S	90.4	Very high	89.1	Confident	18 Å²	18	66.6 Å²	66.6	13%	0.126	34%	0.344	C	S	.	.	S	Bend	trans	-69.1	148.2	-179.9	82.8	0	0	0	0	111	S50 D53 L58 Y59 R60	S50-S56 WeakPolarHBondContact O-CB 3.42Å; S50-S56 PolarHBondContact O-OG 3.19Å; D53-S56 WeakPolarHBondContact O-CB 3.41Å; D53-S56 PolarHBondContact O-N 2.82Å; D53-S56 PolarHBondContact O-OG 3.38Å; S56-L58 PolarHBondContact O-N 3.11Å; S56-Y59 PolarHBondContact O-N 3.03Å; S56-Y59 VanDerWaalsContact OG-CB 3.27Å; S56-Y59 WeakPolarHBondContact OG-CB 3.5Å; S56-Y59 PolarHBondContact OG-N 3.39Å; S56-R60 PolarHBondContact O-N 3.04Å; S56-R60 VanDerWaalsContact O-N 3.07Å
57	D	91.9	Very high	89.4	Confident	113 Å²	113	59 Å²	59	60%	0.604	31%	0.31	S	S	*	.	H	α-helix	trans	-62	-32.8	177.4	-67.7	-34.2	0	0	0	111.6	R60 D61	D57-R60 IonicContact OD1-CZ 3.7Å; D57-R60 VanDerWaalsContact OD1-CZ 3.3Å; D57-R60 IonicContact OD1-NH1 2.85Å; D57-R60 PolarHBondContact OD1-NH1 2.93Å; D57-R60 VanDerWaalsContact OD1-NH1 3.08Å; D57-R60 IonicContact OD1-NH2 3.63Å; D57-R60 PolarHBondContact OD1-NH2 2.87Å; D57-D61 VanDerWaalsContact O-CB 3.28Å; D57-D61 WeakPolarHBondContact O-CB 3.28Å; D57-D61 PolarHBondContact O-N 3.41Å
58	L	90.8	Very high	89.6	Confident	44 Å²	44	60 Å²	60	23%	0.23	32%	0.32	C	S	.	.	H	α-helix	trans	-69.7	-45	178.2	-170.5	68.8	0	0	0	112	N48 L51 S56 R60 D61 Y62	N48-L58 HydrophobicContact CB-CD2 3.56Å; L51-L58 HydrophobicContact CD2-CD2 4.07Å; L51-L58 HydrophobicContact CD2-CG 3.93Å; L51-L58 HydrophobicContact CG-CD2 4.07Å; L51-L58 HydrophobicContact CG-CG 4.49Å; S56-L58 PolarHBondContact O-N 3.11Å; L58-R60 VanDerWaalsContact C-N 3.3Å; L58-R60 PolarHBondContact O-N 2.74Å; L58-D61 PolarHBondContact O-N 2.98Å; L58-Y62 HydrophobicContact CD1-CD2 4.01Å; L58-Y62 HydrophobicContact CD1-CE2 3.5Å; L58-Y62 HydrophobicContact CG-CD2 4.4Å; L58-Y62 HydrophobicContact CG-CE2 4.2Å; L58-Y62 PolarHBondContact O-N 3.28Å
59	Y	92	Very high	89.7	Confident	30 Å²	30	56.9 Å²	56.9	12%	0.118	30%	0.303	C	S	.	.	H	α-helix	trans	-59.4	-45.7	175.9	-176.1	-77.3	0	0	0	110.6	L51 D53 P54 S56 S63 F92	L51-Y59 VanDerWaalsContact O-CD2 3.28Å; L51-Y59 WeakPolarHBondContact O-CD2 3.21Å; D53-Y59 VanDerWaalsContact O-CB 3.29Å; D53-Y59 WeakPolarHBondContact O-CB 3.31Å; P54-Y59 HydrophobicContact CB-CD1 4.29Å; P54-Y59 HydrophobicContact CB-CE1 4.07Å; P54-Y59 WeakPolarHBondContact O-CD1 3.09Å; S56-Y59 PolarHBondContact O-N 3.03Å; S56-Y59 VanDerWaalsContact OG-CB 3.27Å; S56-Y59 WeakPolarHBondContact OG-CB 3.5Å; S56-Y59 PolarHBondContact OG-N 3.39Å; Y59-S63 WeakPolarHBondContact CD1-OG 3.34Å; Y59-S63 VanDerWaalsContact CE1-OG 3.3Å; Y59-S63 WeakPolarHBondContact CE1-OG 3.2Å; Y59-S63 VanDerWaalsContact O-CB 3.25Å; Y59-S63 WeakPolarHBondContact O-CB 3.35Å; Y59-S63 PolarHBondContact O-N 3.06Å; Y59-S63 PolarHBondContact O-OG 3.42Å; Y59-F92 HydrophobicContact CD1-CE2 4.33Å; Y59-F92 AromaticContact CD2-CD2 3.51Å; Y59-F92 HydrophobicContact CD2-CD2 3.51Å; Y59-F92 AromaticContact CD2-CE2 3.5Å; Y59-F92 HydrophobicContact CD2-CE2 3.5Å; Y59-F92 HydrophobicContact CE1-CE2 4.35Å; Y59-F92 AromaticContact CE2-CD2 3.48Å; Y59-F92 HydrophobicContact CE2-CD2 3.48Å; Y59-F92 VanDerWaalsContact CE2-CD2 3.48Å; Y59-F92 AromaticContact CE2-CE2 3.56Å; Y59-F92 HydrophobicContact CE2-CE2 3.56Å; Y59-F92 HydrophobicContact CG-CD2 4.35Å; Y59-F92 AromaticContact CG-CE2 3.91Å; Y59-F92 HydrophobicContact CG-CE2 3.91Å; Y59-F92 AromaticContact CZ-CE2 3.99Å
60	R	89.6	Confident	89.8	Confident	136 Å²	136	52.5 Å²	52.5	51%	0.513	28%	0.279	S	S	.	.	H	α-helix	trans	-64.6	-42.7	179.7	-169.8	174.3	67.5	-115.5	-3.5	111.9	S56 D57 L58 T64	S56-R60 PolarHBondContact O-N 3.04Å; S56-R60 VanDerWaalsContact O-N 3.07Å; D57-R60 IonicContact OD1-CZ 3.7Å; D57-R60 VanDerWaalsContact OD1-CZ 3.3Å; D57-R60 IonicContact OD1-NH1 2.85Å; D57-R60 PolarHBondContact OD1-NH1 2.93Å; D57-R60 VanDerWaalsContact OD1-NH1 3.08Å; D57-R60 IonicContact OD1-NH2 3.63Å; D57-R60 PolarHBondContact OD1-NH2 2.87Å; L58-R60 VanDerWaalsContact C-N 3.3Å; L58-R60 PolarHBondContact O-N 2.74Å; R60-T64 WeakPolarHBondContact O-CB 3.31Å; R60-T64 PolarHBondContact O-N 3.14Å; R60-T64 PolarHBondContact O-OG1 3.36Å
61	D	92.7	Very high	89.7	Confident	73 Å²	73	52.2 Å²	52.2	39%	0.39	27%	0.274	S	S	.	.	H	α-helix	trans	-60.4	-52.5	176.4	178.7	43.2	0	0	0	111.4	D57 L58 S63 T64 Q65	D57-D61 VanDerWaalsContact O-CB 3.28Å; D57-D61 WeakPolarHBondContact O-CB 3.28Å; D57-D61 PolarHBondContact O-N 3.41Å; L58-D61 PolarHBondContact O-N 2.98Å; D61-S63 VanDerWaalsContact C-N 3.34Å; D61-S63 PolarHBondContact O-N 3.47Å; D61-T64 PolarHBondContact O-N 3.04Å; D61-Q65 VanDerWaalsContact CG-NE2 3.34Å; D61-Q65 WeakPolarHBondContact O-CG 3.3Å; D61-Q65 PolarHBondContact O-N 2.88Å; D61-Q65 PolarHBondContact OD1-NE2 3.34Å; D61-Q65 PolarHBondContact OD2-NE2 3.5Å
62	Y	92.8	Very high	89.6	Confident	17 Å²	17	57 Å²	57	7%	0.067	30%	0.296	C	S	.	.	H	α-helix	trans	-63.5	-42.8	-179	-79.6	-151.8	0	0	0	111.4	L38 L45 L51 L58 T64 Q65 I66 F92 V97 I143	L38-Y62 HydrophobicContact CD1-CD1 4.49Å; L45-Y62 HydrophobicContact CD1-CD1 4.27Å; L45-Y62 HydrophobicContact CD1-CE1 3.55Å; L51-Y62 HydrophobicContact CD1-CD1 4.21Å; L51-Y62 HydrophobicContact CD1-CE1 4.1Å; L51-Y62 HydrophobicContact CD2-CD1 3.69Å; L51-Y62 HydrophobicContact CD2-CE1 4.16Å; L51-Y62 HydrophobicContact CD2-CG 4.1Å; L58-Y62 HydrophobicContact CD1-CD2 4.01Å; L58-Y62 HydrophobicContact CD1-CE2 3.5Å; L58-Y62 HydrophobicContact CG-CD2 4.4Å; L58-Y62 HydrophobicContact CG-CE2 4.2Å; L58-Y62 PolarHBondContact O-N 3.28Å; Y62-T64 VanDerWaalsContact C-N 3.29Å; Y62-T64 PolarHBondContact O-N 2.87Å; Y62-Q65 PolarHBondContact O-N 2.83Å; Y62-I66 WeakPolarHBondContact O-CD1 3.43Å; Y62-I66 VanDerWaalsContact O-CG1 3.25Å; Y62-I66 WeakPolarHBondContact O-CG1 3.34Å; Y62-I66 PolarHBondContact O-N 3.44Å; Y62-F92 HydrophobicContact CD1-CE1 4.29Å; Y62-V97 HydrophobicContact CD1-CG1 4.45Å; Y62-V97 HydrophobicContact CE1-CG1 4.4Å; Y62-I143 HydrophobicContact CD1-CD1 4.16Å; Y62-I143 HydrophobicContact CD2-CD1 3.31Å; Y62-I143 HydrophobicContact CE1-CD1 4.21Å; Y62-I143 HydrophobicContact CE2-CD1 3.35Å; Y62-I143 HydrophobicContact CG-CD1 3.73Å
63	S	91.9	Very high	89.8	Confident	17 Å²	17	52 Å²	52	12%	0.119	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-39.1	179.1	-57.7	0	0	0	0	112	Y59 D61 C67	Y59-S63 WeakPolarHBondContact CD1-OG 3.34Å; Y59-S63 VanDerWaalsContact CE1-OG 3.3Å; Y59-S63 WeakPolarHBondContact CE1-OG 3.2Å; Y59-S63 VanDerWaalsContact O-CB 3.25Å; Y59-S63 WeakPolarHBondContact O-CB 3.35Å; Y59-S63 PolarHBondContact O-N 3.06Å; Y59-S63 PolarHBondContact O-OG 3.42Å; D61-S63 VanDerWaalsContact C-N 3.34Å; D61-S63 PolarHBondContact O-N 3.47Å; S63-C67 WeakPolarHBondContact O-CB 3.37Å; S63-C67 PolarHBondContact O-N 3.5Å
64	T	92.5	Very high	89.4	Confident	68 Å²	68	48.5 Å²	48.5	42%	0.417	25%	0.251	S	S	.	.	H	α-helix	trans	-63.9	-49.8	177	-56	0	0	0	0	110.4	R60 D61 Y62 I66 C67 D68	R60-T64 WeakPolarHBondContact O-CB 3.31Å; R60-T64 PolarHBondContact O-N 3.14Å; R60-T64 PolarHBondContact O-OG1 3.36Å; D61-T64 PolarHBondContact O-N 3.04Å; Y62-T64 VanDerWaalsContact C-N 3.29Å; Y62-T64 PolarHBondContact O-N 2.87Å; T64-I66 PolarHBondContact O-N 2.94Å; T64-C67 PolarHBondContact O-N 2.97Å; T64-D68 WeakPolarHBondContact O-CB 3.38Å; T64-D68 VanDerWaalsContact O-CG 3.23Å; T64-D68 PolarHBondContact O-N 3.45Å
65	Q	93.9	Very high	89.1	Confident	43 Å²	43	49.6 Å²	49.6	20%	0.201	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-40.8	-179.2	-69.4	-176	57.2	0	0	112.8	D61 Y62 L69 I143	D61-Q65 VanDerWaalsContact CG-NE2 3.34Å; D61-Q65 WeakPolarHBondContact O-CG 3.3Å; D61-Q65 PolarHBondContact O-N 2.88Å; D61-Q65 PolarHBondContact OD1-NE2 3.34Å; D61-Q65 PolarHBondContact OD2-NE2 3.5Å; Y62-Q65 PolarHBondContact O-N 2.83Å; Q65-L69 WeakPolarHBondContact O-CB 3.31Å; Q65-L69 PolarHBondContact O-N 3.13Å; Q65-I143 HydrophobicContact CB-CB 4.33Å; Q65-I143 VanDerWaalsContact OE1-N 3.13Å
66	I	92.6	Very high	88.1	Confident	2 Å²	2	46.6 Å²	46.6	1%	0.01	24%	0.242	C	C	.	.	H	α-helix	trans	-65.9	-46.6	178.1	-68.5	163.3	0	0	0	111.2	L38 Y62 T64 L69 L70 V89 F92 A101 F145	L38-I66 HydrophobicContact CD1-CD1 3.43Å; L38-I66 VanDerWaalsContact CD1-CD1 3.43Å; L38-I66 HydrophobicContact CD1-CG1 4.28Å; L38-I66 HydrophobicContact CD2-CD1 3.84Å; L38-I66 HydrophobicContact CD2-CG1 4.04Å; L38-I66 HydrophobicContact CG-CD1 4.29Å; Y62-I66 WeakPolarHBondContact O-CD1 3.43Å; Y62-I66 VanDerWaalsContact O-CG1 3.25Å; Y62-I66 WeakPolarHBondContact O-CG1 3.34Å; Y62-I66 PolarHBondContact O-N 3.44Å; T64-I66 PolarHBondContact O-N 2.94Å; I66-L69 WeakPolarHBondContact O-CB 3.29Å; I66-L69 PolarHBondContact O-N 3.4Å; I66-L70 HydrophobicContact CG2-CD1 4.21Å; I66-L70 WeakPolarHBondContact O-CG 3.24Å; I66-L70 PolarHBondContact O-N 3.04Å; I66-V89 HydrophobicContact CB-CG2 4.31Å; I66-V89 HydrophobicContact CG2-CG2 4.16Å; I66-F92 HydrophobicContact CD1-CE1 3.55Å; I66-F92 HydrophobicContact CD1-CZ 4.07Å; I66-A101 HydrophobicContact CG2-CB 4.11Å; I66-F145 HydrophobicContact CG2-CE1 4.37Å; I66-F145 HydrophobicContact CG2-CE2 3.82Å; I66-F145 HydrophobicContact CG2-CZ 3.44Å; I66-F145 VanDerWaalsContact CG2-CZ 3.44Å
67	C	93.3	Very high	86.5	Confident	17 Å²	17	47.4 Å²	47.4	12%	0.115	25%	0.246	C	C	.	.	H	α-helix	trans	-68.7	-36.8	178.9	-82.5	0	0	0	0	112.3	S63 T64 L69 L70 L71 C87	S63-C67 WeakPolarHBondContact O-CB 3.37Å; S63-C67 PolarHBondContact O-N 3.5Å; T64-C67 PolarHBondContact O-N 2.97Å; C67-L69 VanDerWaalsContact C-N 3.3Å; C67-L69 PolarHBondContact O-N 3.46Å; C67-L70 PolarHBondContact O-N 3.23Å; C67-L71 VanDerWaalsContact O-CB 3.28Å; C67-L71 WeakPolarHBondContact O-CB 3.39Å; C67-L71 WeakPolarHBondContact O-CG 3.36Å; C67-L71 PolarHBondContact O-N 3.23Å; C67-C87 WeakPolarHBondContact CA-SG 3.3Å; C67-C87 HydrophobicContact CB-CB 3.61Å; C67-C87 WeakPolarHBondContact CB-SG 3.44Å; C67-C87 WeakPolarHBondContact SG-CB 3.3Å; C67-C87 CovalentContact SG-SG 2.05Å; C67-C87 PolarHBondContact SG-SG 3.24Å
68	D	90.9	Very high	84.5	Confident	80 Å²	80	51.4 Å²	51.4	43%	0.428	26%	0.255	S	S	.	.	H	α-helix	trans	-60.3	-43	173	-75.6	-15.9	0	0	0	110.8	T64 H72	T64-D68 WeakPolarHBondContact O-CB 3.38Å; T64-D68 VanDerWaalsContact O-CG 3.23Å; T64-D68 PolarHBondContact O-N 3.45Å; D68-H72 VanDerWaalsContact O-CB 3.31Å; D68-H72 WeakPolarHBondContact O-CB 3.12Å; D68-H72 PolarHBondContact O-N 3.38Å; D68-H72 PolarHBondContact O-ND1 2.95Å
69	L	91.4	Very high	82.5	Confident	5 Å²	5	50.6 Å²	50.6	3%	0.026	25%	0.25	C	C	.	.	H	α-helix	trans	-60.3	-52.5	175.5	178.3	150.4	0	0	0	111.9	Q65 I66 C67 L71 H72 S73 V128 Y131 I132 I135 F145	Q65-L69 WeakPolarHBondContact O-CB 3.31Å; Q65-L69 PolarHBondContact O-N 3.13Å; I66-L69 WeakPolarHBondContact O-CB 3.29Å; I66-L69 PolarHBondContact O-N 3.4Å; C67-L69 VanDerWaalsContact C-N 3.3Å; C67-L69 PolarHBondContact O-N 3.46Å; L69-L71 PolarHBondContact O-N 3.5Å; L69-H72 PolarHBondContact O-N 3.48Å; L69-S73 WeakPolarHBondContact O-CB 3.39Å; L69-S73 PolarHBondContact O-N 3.2Å; L69-S73 PolarHBondContact O-OG 2.94Å; L69-V128 HydrophobicContact CD2-CG1 4.44Å; L69-Y131 HydrophobicContact CG-CD1 4.08Å; L69-Y131 HydrophobicContact CG-CE1 4.2Å; L69-I132 HydrophobicContact CD1-CG1 4.32Å; L69-I135 HydrophobicContact CD1-CD1 3.58Å; L69-I135 HydrophobicContact CG-CD1 4.21Å; L69-F145 HydrophobicContact CD2-CD2 4Å; L69-F145 HydrophobicContact CD2-CE2 4.24Å
70	L	89.5	Confident	80.3	Confident	0 Å²	0	58.9 Å²	58.9	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-63.2	-44.1	-177.7	-70.7	174.9	0	0	0	111.6	V34 I66 C67 H72 S73 I74 A101 L103 V128 F145	V34-L70 HydrophobicContact CB-CD1 4.43Å; V34-L70 HydrophobicContact CG1-CD2 4.24Å; V34-L70 HydrophobicContact CG2-CD1 4.42Å; V34-L70 HydrophobicContact CG2-CD2 4.22Å; I66-L70 HydrophobicContact CG2-CD1 4.21Å; I66-L70 WeakPolarHBondContact O-CG 3.24Å; I66-L70 PolarHBondContact O-N 3.04Å; C67-L70 PolarHBondContact O-N 3.23Å; L70-H72 PolarHBondContact O-N 3.49Å; L70-S73 PolarHBondContact O-N 2.98Å; L70-I74 WeakPolarHBondContact O-CB 3.47Å; L70-I74 VanDerWaalsContact O-CG1 3.27Å; L70-I74 WeakPolarHBondContact O-CG1 3.22Å; L70-I74 PolarHBondContact O-N 3.11Å; L70-A101 HydrophobicContact CD1-CB 3.58Å; L70-L103 HydrophobicContact CB-CD1 4.46Å; L70-L103 HydrophobicContact CB-CD2 4.07Å; L70-L103 HydrophobicContact CD1-CD1 4.35Å; L70-L103 HydrophobicContact CD1-CD2 4.43Å; L70-L103 HydrophobicContact CD1-CG 4.35Å; L70-L103 HydrophobicContact CD2-CD1 4.48Å; L70-V128 HydrophobicContact CD2-CG1 4.42Å; L70-V128 HydrophobicContact CD2-CG2 3.66Å; L70-F145 HydrophobicContact CD1-CE2 4.05Å; L70-F145 HydrophobicContact CD1-CZ 4.28Å; L70-F145 HydrophobicContact CD2-CD2 4.35Å; L70-F145 HydrophobicContact CD2-CE2 3.7Å; L70-F145 HydrophobicContact CG-CE2 3.87Å
71	L	88.1	Confident	78.3	Confident	45 Å²	45	52.9 Å²	52.9	24%	0.236	27%	0.267	C	S	.	.	H	α-helix	trans	-65.6	-37.8	178	-68.4	171.6	0	0	0	112	C67 L69 N75 V85 C87	C67-L71 VanDerWaalsContact O-CB 3.28Å; C67-L71 WeakPolarHBondContact O-CB 3.39Å; C67-L71 WeakPolarHBondContact O-CG 3.36Å; C67-L71 PolarHBondContact O-N 3.23Å; L69-L71 PolarHBondContact O-N 3.5Å; L71-N75 VanDerWaalsContact O-CB 3.31Å; L71-N75 WeakPolarHBondContact O-CB 3.49Å; L71-N75 VanDerWaalsContact O-CG 3.24Å; L71-N75 PolarHBondContact O-N 3.26Å; L71-N75 PolarHBondContact O-ND2 3.47Å; L71-N75 VanDerWaalsContact O-ND2 3.08Å; L71-V85 HydrophobicContact CD2-CB 4.04Å; L71-V85 HydrophobicContact CD2-CG1 3.82Å; L71-V85 WeakPolarHBondContact CD2-O 3.25Å; L71-C87 HydrophobicContact CD1-CB 4.25Å; L71-C87 HydrophobicContact CD2-CB 4.23Å; L71-C87 HydrophobicContact CG-CB 4.04Å
72	H	85.9	Confident	76.1	Confident	103 Å²	103	54.6 Å²	54.6	48%	0.477	28%	0.275	S	S	.	.	H	α-helix	trans	-69.2	-40.4	174.6	-81.7	76.4	0	0	0	112.5	D68 L69 L70 I74 N75 S76 Y131	D68-H72 VanDerWaalsContact O-CB 3.31Å; D68-H72 WeakPolarHBondContact O-CB 3.12Å; D68-H72 PolarHBondContact O-N 3.38Å; D68-H72 PolarHBondContact O-ND1 2.95Å; L69-H72 PolarHBondContact O-N 3.48Å; L70-H72 PolarHBondContact O-N 3.49Å; H72-I74 VanDerWaalsContact C-N 3.31Å; H72-I74 PolarHBondContact O-N 3.16Å; H72-N75 PolarHBondContact O-N 2.93Å; H72-S76 VanDerWaalsContact O-CB 3.29Å; H72-S76 WeakPolarHBondContact O-CB 3.34Å; H72-S76 PolarHBondContact O-N 2.77Å; H72-S76 PolarHBondContact O-OG 3.46Å; H72-Y131 HydrophobicContact CB-CE1 3.82Å; H72-Y131 HydrophobicContact CB-CE2 4.21Å
73	S	84	Confident	74.4	Confident	0 Å²	0	55 Å²	55	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-57.8	-47.2	177	-52.9	0	0	0	0	110.5	L69 L70 S76 T77 Y131	L69-S73 WeakPolarHBondContact O-CB 3.39Å; L69-S73 PolarHBondContact O-N 3.2Å; L69-S73 PolarHBondContact O-OG 2.94Å; L70-S73 PolarHBondContact O-N 2.98Å; S73-S76 PolarHBondContact O-N 2.92Å; S73-S76 PolarHBondContact O-OG 3.35Å; S73-T77 PolarHBondContact O-N 3.01Å; S73-T77 PolarHBondContact O-OG1 3.1Å; S73-Y131 WeakPolarHBondContact OG-CB 3.31Å; S73-Y131 VanDerWaalsContact OG-CD1 3.23Å; S73-Y131 WeakPolarHBondContact OG-CD1 3.31Å
74	I	77	Confident	73.3	Confident	4 Å²	4	58.6 Å²	58.6	2%	0.021	30%	0.296	C	S	.	.	H	α-helix	trans	-67.6	-42.6	-179.3	-72.6	174.7	0	0	0	111.6	L70 H72 I79 V85 L103	L70-I74 WeakPolarHBondContact O-CB 3.47Å; L70-I74 VanDerWaalsContact O-CG1 3.27Å; L70-I74 WeakPolarHBondContact O-CG1 3.22Å; L70-I74 PolarHBondContact O-N 3.11Å; H72-I74 VanDerWaalsContact C-N 3.31Å; H72-I74 PolarHBondContact O-N 3.16Å; I74-I79 HydrophobicContact CB-CD1 4.37Å; I74-I79 HydrophobicContact CG2-CD1 3.26Å; I74-I79 HydrophobicContact CG2-CG1 4.46Å; I74-V85 HydrophobicContact CD1-CG1 4.1Å; I74-V85 HydrophobicContact CG2-CB 4.46Å; I74-V85 HydrophobicContact CG2-CG1 4.46Å; I74-V85 HydrophobicContact CG2-CG2 3.91Å; I74-L103 HydrophobicContact CD1-CD1 3.54Å; I74-L103 HydrophobicContact CD1-CD2 3.87Å; I74-L103 HydrophobicContact CD1-CG 4.27Å
75	N	73.1	Confident	72.5	Confident	93 Å²	93	56.3 Å²	56.3	50%	0.497	28%	0.282	S	S	.	.	H	α-helix	trans	-72.8	-27.1	179.7	-75.3	-30.5	0	0	0	113.9	L71 H72	L71-N75 VanDerWaalsContact O-CB 3.31Å; L71-N75 WeakPolarHBondContact O-CB 3.49Å; L71-N75 VanDerWaalsContact O-CG 3.24Å; L71-N75 PolarHBondContact O-N 3.26Å; L71-N75 PolarHBondContact O-ND2 3.47Å; L71-N75 VanDerWaalsContact O-ND2 3.08Å; H72-N75 PolarHBondContact O-N 2.93Å
76	S	65	Low	72	Confident	71 Å²	71	58 Å²	58	50%	0.497	30%	0.295	S	S	.	.	H	α-helix	trans	-77.9	-39.5	-178	52.5	0	0	0	0	112.7	H72 S73	H72-S76 VanDerWaalsContact O-CB 3.29Å; H72-S76 WeakPolarHBondContact O-CB 3.34Å; H72-S76 PolarHBondContact O-N 2.77Å; H72-S76 PolarHBondContact O-OG 3.46Å; S73-S76 PolarHBondContact O-N 2.92Å; S73-S76 PolarHBondContact O-OG 3.35Å
77	T	57.3	Low	71.8	Confident	34 Å²	34	59 Å²	59	21%	0.209	30%	0.302	C	S	.	.	H	α-helix	trans	-80.2	-54.6	-166.2	-33.8	0	0	0	0	112.6	S73 A127 E130	S73-T77 PolarHBondContact O-N 3.01Å; S73-T77 PolarHBondContact O-OG1 3.1Å; T77-A127 HydrophobicContact CG2-CB 4.12Å; T77-A127 WeakPolarHBondContact OG1-CA 3.42Å; T77-A127 WeakPolarHBondContact OG1-CB 3.25Å; T77-E130 WeakPolarHBondContact CG2-OE2 3.25Å
78	Y	49.7	Very low	71.5	Confident	198 Å²	198	61.6 Å²	61.6	78%	0.776	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-148.5	1.4	-172.6	-85	-80.3	0	0	0	116.9	K80	Y78-K80 PolarHBondContact O-N 3.19Å
79	I	49	Very low	71.5	Confident	26 Å²	26	58.6 Å²	58.6	13%	0.133	30%	0.302	C	S	.	.			trans	-109	59.1	-168.9	-59.7	161.3	0	0	0	110.6	I74 G81 I83 V119	I74-I79 HydrophobicContact CB-CD1 4.37Å; I74-I79 HydrophobicContact CG2-CD1 3.26Å; I74-I79 HydrophobicContact CG2-CG1 4.46Å; I79-G81 WeakPolarHBondContact CG2-O 3.34Å; I79-I83 HydrophobicContact CD1-CD1 4.36Å; I79-I83 HydrophobicContact CG1-CD1 4.11Å; I79-I83 HydrophobicContact CG2-CB 3.66Å; I79-I83 HydrophobicContact CG2-CD1 3.66Å; I79-I83 HydrophobicContact CG2-CG1 3.68Å; I79-V119 HydrophobicContact CD1-CG2 4.18Å
80	K	45.3	Very low	71.1	Confident	205 Å²	205	62.3 Å²	62.3	89%	0.891	33%	0.325	S	S	*	.			trans	-75.6	-10.8	161.2	-79.5	-177.5	-179.4	168.2	0	112.2	Y78	Y78-K80 PolarHBondContact O-N 3.19Å
81	G	48.3	Very low	70.9	Confident	10 Å²	10	63 Å²	63	10%	0.103	33%	0.331	C	S	.	.	S	Bend	trans	-76.1	136.2	165.4	0	0	0	0	0	109.6	I79 I83	I79-G81 WeakPolarHBondContact CG2-O 3.34Å; G81-I83 VanDerWaalsContact C-N 3.35Å; G81-I83 PolarHBondContact O-N 2.9Å
82	I	46.6	Very low	70.9	Confident	109 Å²	109	61.6 Å²	61.6	56%	0.559	32%	0.324	S	S	*	.			trans	-63	96.1	-178	-48.1	165.7	0	0	0	107.7	S109 T110	I82-S109 VanDerWaalsContact C-OG 3.28Å; I82-S109 WeakPolarHBondContact CB-O 3.48Å; I82-S109 VanDerWaalsContact CG2-CB 3.48Å; I82-S109 WeakPolarHBondContact CG2-OG 3.31Å; I82-S109 CarbonylContact O-C 3.53Å; I82-S109 WeakPolarHBondContact O-CB 3.27Å; I82-S109 PolarHBondContact O-OG 3.18Å; I82-T110 PolarHBondContact O-N 3.15Å
83	I	56.8	Low	70.8	Confident	24 Å²	24	59.4 Å²	59.4	12%	0.123	32%	0.32	C	S	.	.			trans	-115.2	118.2	167.2	-57.4	-179.3	0	0	0	104.7	I79 G81 V85 I105 D106 Y107 T110 V119	I79-I83 HydrophobicContact CD1-CD1 4.36Å; I79-I83 HydrophobicContact CG1-CD1 4.11Å; I79-I83 HydrophobicContact CG2-CB 3.66Å; I79-I83 HydrophobicContact CG2-CD1 3.66Å; I79-I83 HydrophobicContact CG2-CG1 3.68Å; G81-I83 VanDerWaalsContact C-N 3.35Å; G81-I83 PolarHBondContact O-N 2.9Å; I83-V85 HydrophobicContact CB-CG2 4.3Å; I83-V85 HydrophobicContact CG2-CG2 3.74Å; I83-V85 PolarHBondContact O-N 3.39Å; I83-I105 HydrophobicContact CG2-CB 4.46Å; I83-I105 HydrophobicContact CG2-CG2 3.34Å; I83-D106 WeakPolarHBondContact CG2-O 3.44Å; I83-Y107 HydrophobicContact CD1-CD1 4.29Å; I83-Y107 HydrophobicContact CD1-CE1 4.32Å; I83-T110 HydrophobicContact CG1-CG2 4.15Å; I83-V119 HydrophobicContact CD1-CG2 4.2Å
84	N	68.3	Low	70.2	Confident	93 Å²	93	67.1 Å²	67.1	50%	0.497	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	100.4	173.2	-80.3	-31.3	0	0	0	107.4	D106	N84-D106 HydrophobicContact CB-CB 4.15Å; N84-D106 PolarHBondContact N-O 3.43Å; N84-D106 PolarHBondContact O-N 2.99Å
85	V	76	Confident	69.7	Low	21 Å²	21	69 Å²	69	13%	0.127	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	124	173.1	-174.3	0	0	0	0	108.6	L71 I74 I83 L103 V104 I105	L71-V85 HydrophobicContact CD2-CB 4.04Å; L71-V85 HydrophobicContact CD2-CG1 3.82Å; L71-V85 WeakPolarHBondContact CD2-O 3.25Å; I74-V85 HydrophobicContact CD1-CG1 4.1Å; I74-V85 HydrophobicContact CG2-CB 4.46Å; I74-V85 HydrophobicContact CG2-CG1 4.46Å; I74-V85 HydrophobicContact CG2-CG2 3.91Å; I83-V85 HydrophobicContact CB-CG2 4.3Å; I83-V85 HydrophobicContact CG2-CG2 3.74Å; I83-V85 PolarHBondContact O-N 3.39Å; V85-L103 HydrophobicContact CG1-CD2 3.81Å; V85-V104 WeakPolarHBondContact CA-O 3.31Å; V85-I105 HydrophobicContact CG1-CG1 4.25Å; V85-I105 HydrophobicContact CG2-CG1 4.22Å; V85-I105 HydrophobicContact CG2-CG2 4.45Å
86	T	83.1	Confident	69.6	Low	78 Å²	78	66 Å²	66	48%	0.479	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	133.2	172.1	59.3	0	0	0	0	109	L103 V104	T86-L103 CarbonylContact O-C 3.58Å; T86-L103 WeakPolarHBondContact O-CA 3.48Å; T86-V104 PolarHBondContact N-O 3.45Å; T86-V104 PolarHBondContact O-N 2.9Å; T86-V104 WeakPolarHBondContact OG1-CB 3.33Å
87	C	88.9	Confident	70.5	Confident	22 Å²	22	62.6 Å²	62.6	15%	0.149	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	134.8	175.2	173.7	0	0	0	0	109.5	C67 L71 M102 L103	C67-C87 WeakPolarHBondContact CA-SG 3.3Å; C67-C87 HydrophobicContact CB-CB 3.61Å; C67-C87 WeakPolarHBondContact CB-SG 3.44Å; C67-C87 WeakPolarHBondContact SG-CB 3.3Å; C67-C87 CovalentContact SG-SG 2.05Å; C67-C87 PolarHBondContact SG-SG 3.24Å; L71-C87 HydrophobicContact CD1-CB 4.25Å; L71-C87 HydrophobicContact CD2-CB 4.23Å; L71-C87 HydrophobicContact CG-CB 4.04Å; C87-M102 CarbonylContact C-O 3.53Å; C87-M102 WeakPolarHBondContact CA-O 3.33Å; C87-L103 HydrophobicContact CB-CD2 3.81Å
88	T	88.4	Confident	71.8	Confident	73 Å²	73	63.6 Å²	63.6	45%	0.448	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.2	171.7	-56.4	0	0	0	0	109.1	V90 A101 M102	T88-V90 PolarHBondContact O-N 2.95Å; T88-A101 CarbonylContact O-C 3.58Å; T88-M102 PolarHBondContact N-O 3.44Å; T88-M102 PolarHBondContact O-N 3.49Å
89	V	89.2	Confident	73.5	Confident	17 Å²	17	54.1 Å²	54.1	10%	0.103	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	120.4	170.5	172.1	0	0	0	0	109.1	I66 F92 A101	I66-V89 HydrophobicContact CB-CG2 4.31Å; I66-V89 HydrophobicContact CG2-CG2 4.16Å; V89-F92 HydrophobicContact CG1-CE1 4.46Å; V89-F92 HydrophobicContact CG1-CE2 4.09Å; V89-F92 HydrophobicContact CG1-CZ 3.91Å; V89-A101 HydrophobicContact CG2-CB 4.3Å
90	V	84.1	Confident	75.3	Confident	83 Å²	83	55 Å²	55	50%	0.503	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	-37.6	179	-177	0	0	0	0	109.9	T88 N100 M102	T88-V90 PolarHBondContact O-N 2.95Å; V90-N100 HydrophobicContact CB-CB 4.3Å; V90-N100 PolarHBondContact N-O 2.74Å; V90-M102 HydrophobicContact CG2-CB 3.95Å
91	G	85.2	Confident	77.3	Confident	13 Å²	13	45.3 Å²	45.3	13%	0.134	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	158.6	-177.7	172.9	0	0	0	0	0	114	N100	G91-N100 PolarHBondContact N-O 3.17Å; G91-N100 WeakPolarHBondContact O-CB 3.06Å; G91-N100 PolarHBondContact O-N 2.96Å; G91-N100 PolarHBondContact O-ND2 3.02Å
92	F	87.4	Confident	79.1	Confident	16 Å²	16	47.5 Å²	47.5	7%	0.07	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	139.6	179.1	-55.7	-82.4	0	0	0	110.5	L38 W47 L51 Y59 Y62 I66 V89 V97 I98	L38-F92 HydrophobicContact CD1-CD1 3.97Å; L38-F92 HydrophobicContact CD1-CE1 3.74Å; W47-F92 HydrophobicContact CH2-CB 4.23Å; W47-F92 HydrophobicContact CZ3-CB 3.92Å; L51-F92 HydrophobicContact CB-CB 4.13Å; L51-F92 HydrophobicContact CB-CD2 4.17Å; L51-F92 HydrophobicContact CB-CG 4.31Å; L51-F92 HydrophobicContact CD1-CB 4.47Å; L51-F92 HydrophobicContact CD1-CG 4.5Å; L51-F92 HydrophobicContact CD2-CD2 4.02Å; L51-F92 HydrophobicContact CD2-CE2 4.2Å; L51-F92 HydrophobicContact CD2-CG 4.31Å; Y59-F92 HydrophobicContact CD1-CE2 4.33Å; Y59-F92 AromaticContact CD2-CD2 3.51Å; Y59-F92 HydrophobicContact CD2-CD2 3.51Å; Y59-F92 AromaticContact CD2-CE2 3.5Å; Y59-F92 HydrophobicContact CD2-CE2 3.5Å; Y59-F92 HydrophobicContact CE1-CE2 4.35Å; Y59-F92 AromaticContact CE2-CD2 3.48Å; Y59-F92 HydrophobicContact CE2-CD2 3.48Å; Y59-F92 VanDerWaalsContact CE2-CD2 3.48Å; Y59-F92 AromaticContact CE2-CE2 3.56Å; Y59-F92 HydrophobicContact CE2-CE2 3.56Å; Y59-F92 HydrophobicContact CG-CD2 4.35Å; Y59-F92 AromaticContact CG-CE2 3.91Å; Y59-F92 HydrophobicContact CG-CE2 3.91Å; Y59-F92 AromaticContact CZ-CE2 3.99Å; Y62-F92 HydrophobicContact CD1-CE1 4.29Å; I66-F92 HydrophobicContact CD1-CE1 3.55Å; I66-F92 HydrophobicContact CD1-CZ 4.07Å; V89-F92 HydrophobicContact CG1-CE1 4.46Å; V89-F92 HydrophobicContact CG1-CE2 4.09Å; V89-F92 HydrophobicContact CG1-CZ 3.91Å; F92-V97 HydrophobicContact CB-CG1 4.45Å; F92-V97 HydrophobicContact CD1-CG1 3.93Å; F92-I98 CarbonylContact C-O 3.5Å; F92-I98 VanDerWaalsContact CA-O 3.3Å; F92-I98 WeakPolarHBondContact CA-O 3.47Å
93	S	83.4	Confident	80.8	Confident	57 Å²	57	42.3 Å²	42.3	40%	0.399	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	143.8	177.6	-69.1	0	0	0	0	112	W47 I98	W47-S93 WeakPolarHBondContact CZ3-O 3.39Å; S93-I98 PolarHBondContact N-O 2.93Å; S93-I98 PolarHBondContact O-N 3.25Å
94	R	71.8	Confident	81.9	Confident	162 Å²	162	42.7 Å²	42.7	61%	0.611	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	138.2	179	-86.7	-177	162	175.4	-3.9	111.3	W47 D49	W47-R94 HydrophobicContact CD2-CB 4.39Å; W47-R94 HydrophobicContact CD2-CG 3.66Å; W47-R94 HydrophobicContact CE3-CG 4.14Å; W47-R94 HydrophobicContact CG-CG 4.17Å; W47-R94 HydrophobicContact CH2-CG 3.95Å; W47-R94 HydrophobicContact CZ2-CG 3.43Å; W47-R94 VanDerWaalsContact CZ2-CG 3.43Å; W47-R94 HydrophobicContact CZ3-CG 4.28Å; D49-R94 IonicContact OD1-CZ 2.85Å; D49-R94 IonicContact OD1-NE 3.93Å; D49-R94 IonicContact OD1-NH2 3.42Å; D49-R94 PolarHBondContact OD1-NH2 3.38Å; D49-R94 IonicContact OD2-NH2 3.28Å
95	G	67.6	Low	82.3	Confident	45 Å²	45	38.3 Å²	38.3	46%	0.464	22%	0.223	S	C	.	.	T	Hydrogen-bonded Turn	trans	138.2	-150.5	-169.7	0	0	0	0	0	109	V97	G95-V97 PolarHBondContact O-N 3.5Å
96	S	70	Confident	82	Confident	28 Å²	28	39 Å²	39	20%	0.196	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	42.8	169.8	-56.7	0	0	0	0	112.7	T37 L45	T37-S96 WeakPolarHBondContact CG2-O 3.48Å; L45-S96 CarbonylContact O-C 3.54Å; L45-S96 VanDerWaalsContact O-C 3.24Å
97	V	84.1	Confident	80.9	Confident	0 Å²	0	36.6 Å²	36.6	0%	0	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.6	90.5	-170.1	-171.3	0	0	0	0	112.4	L38 L45 E46 W47 L51 Y62 F92 G95	L38-V97 WeakPolarHBondContact CB-O 3.3Å; L38-V97 HydrophobicContact CD1-CG1 3.9Å; L38-V97 WeakPolarHBondContact CG-O 3.35Å; L38-V97 PolarHBondContact N-O 3.04Å; L45-V97 HydrophobicContact CB-CB 4.05Å; L45-V97 HydrophobicContact CB-CG2 3.91Å; L45-V97 WeakPolarHBondContact O-CG2 2.95Å; E46-V97 WeakPolarHBondContact O-CG2 3.35Å; W47-V97 HydrophobicContact CE3-CG2 4.1Å; L51-V97 HydrophobicContact CD1-CB 4.49Å; L51-V97 HydrophobicContact CD1-CG1 3.65Å; L51-V97 HydrophobicContact CD1-CG2 3.91Å; Y62-V97 HydrophobicContact CD1-CG1 4.45Å; Y62-V97 HydrophobicContact CE1-CG1 4.4Å; F92-V97 HydrophobicContact CB-CG1 4.45Å; F92-V97 HydrophobicContact CD1-CG1 3.93Å; G95-V97 PolarHBondContact O-N 3.5Å
98	I	84.8	Confident	79.3	Confident	55 Å²	55	38.1 Å²	38.1	28%	0.282	22%	0.22	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	120.4	173.8	-58.2	169.2	0	0	0	108.3	S35 S36 F92 S93	S35-I98 WeakPolarHBondContact OG-CG2 3.39Å; S36-I98 WeakPolarHBondContact O-CA 3.44Å; F92-I98 CarbonylContact C-O 3.5Å; F92-I98 VanDerWaalsContact CA-O 3.3Å; F92-I98 WeakPolarHBondContact CA-O 3.47Å; S93-I98 PolarHBondContact N-O 2.93Å; S93-I98 PolarHBondContact O-N 3.25Å
99	G	85.5	Confident	77.5	Confident	0 Å²	0	36.1 Å²	36.1	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	129.3	176.2	0	0	0	0	0	110.7	S35 S36	S35-G99 WeakPolarHBondContact CA-O 3.28Å; S35-G99 PolarHBondContact OG-O 3.4Å; S36-G99 PolarHBondContact N-O 2.92Å; S36-G99 PolarHBondContact O-N 3.29Å
100	N	85.9	Confident	75.6	Confident	44 Å²	44	38.4 Å²	38.4	24%	0.235	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	117.8	175.6	-55.3	-84.5	0	0	0	109	S35 V90 G91	S35-N100 WeakPolarHBondContact CB-OD1 3.08Å; S35-N100 PolarHBondContact OG-OD1 2.7Å; V90-N100 HydrophobicContact CB-CB 4.3Å; V90-N100 PolarHBondContact N-O 2.74Å; G91-N100 PolarHBondContact N-O 3.17Å; G91-N100 WeakPolarHBondContact O-CB 3.06Å; G91-N100 PolarHBondContact O-N 2.96Å; G91-N100 PolarHBondContact O-ND2 3.02Å
101	A	87.6	Confident	73.5	Confident	1 Å²	1	37.5 Å²	37.5	1%	0.008	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	153.2	-179.9	0	0	0	0	0	111.1	T33 V34 I66 L70 T88 V89	T33-A101 CarbonylContact C-O 3.47Å; T33-A101 WeakPolarHBondContact CA-O 3.47Å; V34-A101 PolarHBondContact N-O 3.38Å; V34-A101 PolarHBondContact O-N 3.34Å; I66-A101 HydrophobicContact CG2-CB 4.11Å; L70-A101 HydrophobicContact CD1-CB 3.58Å; T88-A101 CarbonylContact O-C 3.58Å; V89-A101 HydrophobicContact CG2-CB 4.3Å
102	M	85.6	Confident	71.5	Confident	56 Å²	56	46.6 Å²	46.6	28%	0.276	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	128.6	177.7	-176.8	178.8	67.4	0	0	108.6	I31 I32 T33 C87 T88 V90 V104	I31-M102 HydrophobicContact CG2-CG 3.61Å; I31-M102 HydrophobicContact CG2-SD 3.61Å; I32-M102 CarbonylContact O-C 3.18Å; I32-M102 WeakPolarHBondContact O-CA 3.27Å; T33-M102 HydrophobicContact CG2-CB 4.42Å; T33-M102 HydrophobicContact CG2-CG 4.33Å; C87-M102 CarbonylContact C-O 3.53Å; C87-M102 WeakPolarHBondContact CA-O 3.33Å; T88-M102 PolarHBondContact N-O 3.44Å; T88-M102 PolarHBondContact O-N 3.49Å; V90-M102 HydrophobicContact CG2-CB 3.95Å; M102-V104 HydrophobicContact CE-CG2 4.21Å
103	L	83.7	Confident	69.2	Low	0 Å²	0	53.3 Å²	53.3	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	124.4	175.6	-69.9	162.2	0	0	0	108.4	I31 I32 V34 L70 I74 V85 T86 C87 V124	I31-L103 CarbonylContact C-O 3.54Å; I31-L103 WeakPolarHBondContact CA-O 3.04Å; I32-L103 HydrophobicContact CB-CB 4.4Å; I32-L103 PolarHBondContact N-O 2.88Å; I32-L103 PolarHBondContact O-N 3.34Å; V34-L103 HydrophobicContact CG2-CD1 3.93Å; L70-L103 HydrophobicContact CB-CD1 4.46Å; L70-L103 HydrophobicContact CB-CD2 4.07Å; L70-L103 HydrophobicContact CD1-CD1 4.35Å; L70-L103 HydrophobicContact CD1-CD2 4.43Å; L70-L103 HydrophobicContact CD1-CG 4.35Å; L70-L103 HydrophobicContact CD2-CD1 4.48Å; I74-L103 HydrophobicContact CD1-CD1 3.54Å; I74-L103 HydrophobicContact CD1-CD2 3.87Å; I74-L103 HydrophobicContact CD1-CG 4.27Å; V85-L103 HydrophobicContact CG1-CD2 3.81Å; T86-L103 CarbonylContact O-C 3.58Å; T86-L103 WeakPolarHBondContact O-CA 3.48Å; C87-L103 HydrophobicContact CB-CD2 3.81Å; L103-V124 HydrophobicContact CD1-CG1 4.13Å
104	V	79.7	Confident	67	Low	33 Å²	33	56.3 Å²	56.3	20%	0.2	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	118	171.9	-176.6	0	0	0	0	107.3	T29 A30 I31 V85 T86 M102	T29-V104 HydrophobicContact CG2-CG1 3.41Å; T29-V104 VanDerWaalsContact CG2-CG1 3.41Å; A30-V104 WeakPolarHBondContact O-CA 3.26Å; I31-V104 HydrophobicContact CG1-CG2 4.41Å; V85-V104 WeakPolarHBondContact CA-O 3.31Å; T86-V104 PolarHBondContact N-O 3.45Å; T86-V104 PolarHBondContact O-N 2.9Å; T86-V104 WeakPolarHBondContact OG1-CB 3.33Å; M102-V104 HydrophobicContact CE-CG2 4.21Å
105	I	75.3	Confident	65.6	Low	0 Å²	0	53.6 Å²	53.6	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	108.6	-172.5	-60.8	178.3	0	0	0	107.2	T29 A30 I32 I83 V85 Y107 V119	T29-I105 CarbonylContact C-O 3.53Å; T29-I105 VanDerWaalsContact CA-O 3.26Å; T29-I105 WeakPolarHBondContact CA-O 3.42Å; T29-I105 WeakPolarHBondContact CG2-O 3.28Å; A30-I105 HydrophobicContact CB-CB 4.24Å; A30-I105 PolarHBondContact N-O 2.92Å; A30-I105 PolarHBondContact O-N 2.59Å; I32-I105 HydrophobicContact CD1-CD1 3.63Å; I32-I105 HydrophobicContact CG1-CD1 4.34Å; I83-I105 HydrophobicContact CG2-CB 4.46Å; I83-I105 HydrophobicContact CG2-CG2 3.34Å; V85-I105 HydrophobicContact CG1-CG1 4.25Å; V85-I105 HydrophobicContact CG2-CG1 4.22Å; V85-I105 HydrophobicContact CG2-CG2 4.45Å; I105-Y107 HydrophobicContact CG2-CD1 4.32Å; I105-Y107 HydrophobicContact CG2-CE1 3.82Å; I105-Y107 HydrophobicContact CG2-CE2 4.19Å; I105-V119 HydrophobicContact CD1-CB 4Å; I105-V119 HydrophobicContact CD1-CG1 3.64Å; I105-V119 HydrophobicContact CD1-CG2 4.49Å; I105-V119 HydrophobicContact CG2-CG2 4.39Å
106	D	70.1	Confident	64.3	Low	35 Å²	35	56.5 Å²	56.5	19%	0.187	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	112.5	177.5	178.4	9.4	0	0	0	110.4	I83 N84 S108	I83-D106 WeakPolarHBondContact CG2-O 3.44Å; N84-D106 HydrophobicContact CB-CB 4.15Å; N84-D106 PolarHBondContact N-O 3.43Å; N84-D106 PolarHBondContact O-N 2.99Å; D106-S108 VanDerWaalsContact C-N 3.27Å; D106-S108 PolarHBondContact O-N 3.3Å; D106-S108 WeakPolarHBondContact OD1-CB 3.5Å; D106-S108 PolarHBondContact OD1-N 2.8Å; D106-S108 PolarHBondContact OD1-OG 2.65Å; D106-S108 PolarHBondContact OD2-OG 3.28Å
107	Y	61.4	Low	63.3	Low	28 Å²	28	59.2 Å²	59.2	11%	0.11	35%	0.345	C	S	.	.	G	3₁₀ helix	trans	-81.4	-3.5	-179.9	-60.8	-74.2	0	0	0	113.3	K28 A30 I83 I105 S109 T110 V119	K28-Y107 HydrophobicContact CB-CD2 3.79Å; K28-Y107 HydrophobicContact CB-CG 4.32Å; K28-Y107 WeakPolarHBondContact O-CB 3.44Å; K28-Y107 WeakPolarHBondContact O-CD2 3.32Å; K28-Y107 PolarHBondContact O-N 3.33Å; A30-Y107 HydrophobicContact CB-CE2 3.72Å; I83-Y107 HydrophobicContact CD1-CD1 4.29Å; I83-Y107 HydrophobicContact CD1-CE1 4.32Å; I105-Y107 HydrophobicContact CG2-CD1 4.32Å; I105-Y107 HydrophobicContact CG2-CE1 3.82Å; I105-Y107 HydrophobicContact CG2-CE2 4.19Å; Y107-S109 PolarHBondContact O-N 2.9Å; Y107-S109 VanDerWaalsContact O-N 3.09Å; Y107-T110 WeakPolarHBondContact O-CG2 3.47Å; Y107-T110 PolarHBondContact O-N 3.49Å; Y107-T110 VanDerWaalsContact O-N 3.15Å; Y107-T110 PolarHBondContact O-OG1 3.37Å; Y107-V119 HydrophobicContact CE1-CB 4.46Å; Y107-V119 HydrophobicContact CE1-CG2 4.06Å; Y107-V119 WeakPolarHBondContact OH-CB 3.41Å; Y107-V119 PolarHBondContact OH-N 3.05Å; Y107-V119 VanDerWaalsContact OH-N 3.13Å
108	S	55.5	Low	61.9	Low	55 Å²	55	63 Å²	63	39%	0.385	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-62.4	-19.3	-174.2	68.5	0	0	0	0	114.7	D106	D106-S108 VanDerWaalsContact C-N 3.27Å; D106-S108 PolarHBondContact O-N 3.3Å; D106-S108 WeakPolarHBondContact OD1-CB 3.5Å; D106-S108 PolarHBondContact OD1-N 2.8Å; D106-S108 PolarHBondContact OD1-OG 2.65Å; D106-S108 PolarHBondContact OD2-OG 3.28Å
109	S	49.2	Very low	61	Low	30 Å²	30	61 Å²	61	21%	0.21	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-95.9	3.8	-179.6	50.2	0	0	0	0	114.6	I82 Y107 S111	I82-S109 VanDerWaalsContact C-OG 3.28Å; I82-S109 WeakPolarHBondContact CB-O 3.48Å; I82-S109 VanDerWaalsContact CG2-CB 3.48Å; I82-S109 WeakPolarHBondContact CG2-OG 3.31Å; I82-S109 CarbonylContact O-C 3.53Å; I82-S109 WeakPolarHBondContact O-CB 3.27Å; I82-S109 PolarHBondContact O-OG 3.18Å; Y107-S109 PolarHBondContact O-N 2.9Å; Y107-S109 VanDerWaalsContact O-N 3.09Å; S109-S111 PolarHBondContact O-N 3.06Å
110	T	49.2	Very low	60.3	Low	66 Å²	66	63.9 Å²	63.9	41%	0.405	38%	0.376	S	S	.	.			trans	-65.2	125.3	177.3	52.5	0	0	0	0	110.5	I82 I83 Y107	I82-T110 PolarHBondContact O-N 3.15Å; I83-T110 HydrophobicContact CG1-CG2 4.15Å; Y107-T110 WeakPolarHBondContact O-CG2 3.47Å; Y107-T110 PolarHBondContact O-N 3.49Å; Y107-T110 VanDerWaalsContact O-N 3.15Å; Y107-T110 PolarHBondContact O-OG1 3.37Å
111	S	40.9	Very low	59.6	Low	64 Å²	64	65.1 Å²	65.1	45%	0.448	38%	0.38	S	S	.	.			trans	-70.6	149.3	173.8	65.3	0	0	0	0	109.9	S109 N113 F114	S109-S111 PolarHBondContact O-N 3.06Å; S111-N113 PolarHBondContact O-N 3.33Å; S111-F114 PolarHBondContact O-N 2.91Å
112	E	42.6	Very low	59	Low	204 Å²	204	69.9 Å²	69.9	95%	0.953	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.8	-6.4	-174.6	-67.3	-179.6	160.8	0	0	116
113	N	39.3	Very low	58.4	Low	156 Å²	156	70 Å²	70	83%	0.834	41%	0.409	S	S	*	.	T	Hydrogen-bonded Turn	trans	-96.8	5.2	-178.9	-80.2	-8.4	0	0	0	114.9	S111	S111-N113 PolarHBondContact O-N 3.33Å
114	F	38.1	Very low	58.3	Low	120 Å²	120	70 Å²	70	53%	0.526	41%	0.41	S	S	.	.			trans	-95.1	110.8	178.8	-82.7	-85.2	0	0	0	112.3	S111 S116	S111-F114 PolarHBondContact O-N 2.91Å; F114-S116 PolarHBondContact O-N 3.5Å
115	S	41.3	Very low	58.5	Low	105 Å²	105	72.5 Å²	72.5	73%	0.734	42%	0.415	S	S	*	.			trans	-44.8	133.7	153.8	156.9	0	0	0	0	108.8	A117	S115-A117 PolarHBondContact O-N 3.39Å
116	S	39.8	Very low	58.8	Low	107 Å²	107	77.3 Å²	77.3	75%	0.748	44%	0.441	S	S	*	.			trans	-66.3	58.2	-166.9	54.6	0	0	0	0	114.7	F114 V118	F114-S116 PolarHBondContact O-N 3.5Å; S116-V118 PolarHBondContact O-N 3.49Å
117	A	49	Very low	59.4	Low	85 Å²	85	75.9 Å²	75.9	70%	0.702	43%	0.434	S	S	*	.			trans	-68.3	86.4	169.1	0	0	0	0	0	108.1	S115 V119	S115-A117 PolarHBondContact O-N 3.39Å; A117-V119 PolarHBondContact O-N 3.17Å
118	V	56.4	Low	60.6	Low	78 Å²	78	74.6 Å²	74.6	47%	0.473	43%	0.429	S	S	.	.			trans	-61.4	130.4	171.9	178.8	0	0	0	0	107	S116 T120	S116-V118 PolarHBondContact O-N 3.49Å; V118-T120 PolarHBondContact O-N 3.28Å; V118-T120 VanDerWaalsContact O-N 3.07Å
119	V	64.6	Low	62.1	Low	13 Å²	13	74.8 Å²	74.8	8%	0.079	43%	0.428	C	S	.	.			trans	-73.1	104.9	175	-179.5	0	0	0	0	107.5	I32 I79 I83 I105 Y107 A117 V124	I32-V119 HydrophobicContact CD1-CG1 4.17Å; I79-V119 HydrophobicContact CD1-CG2 4.18Å; I83-V119 HydrophobicContact CD1-CG2 4.2Å; I105-V119 HydrophobicContact CD1-CB 4Å; I105-V119 HydrophobicContact CD1-CG1 3.64Å; I105-V119 HydrophobicContact CD1-CG2 4.49Å; I105-V119 HydrophobicContact CG2-CG2 4.39Å; Y107-V119 HydrophobicContact CE1-CB 4.46Å; Y107-V119 HydrophobicContact CE1-CG2 4.06Å; Y107-V119 WeakPolarHBondContact OH-CB 3.41Å; Y107-V119 PolarHBondContact OH-N 3.05Å; Y107-V119 VanDerWaalsContact OH-N 3.13Å; A117-V119 PolarHBondContact O-N 3.17Å; V119-V124 HydrophobicContact CG1-CG2 3.44Å; V119-V124 VanDerWaalsContact CG1-CG2 3.44Å
120	T	70.7	Confident	63.8	Low	62 Å²	62	78.7 Å²	78.7	38%	0.38	44%	0.443	S	S	.	.			trans	-90.4	168.1	175.9	63	0	0	0	0	111.6	V118 D122 T123 V124	V118-T120 PolarHBondContact O-N 3.28Å; V118-T120 VanDerWaalsContact O-N 3.07Å; T120-D122 VanDerWaalsContact C-N 3.29Å; T120-D122 PolarHBondContact O-N 2.81Å; T120-T123 WeakPolarHBondContact O-CB 3.45Å; T120-T123 PolarHBondContact O-N 3.25Å; T120-T123 VanDerWaalsContact O-N 3.14Å; T120-T123 PolarHBondContact OG1-N 2.65Å; T120-T123 PolarHBondContact OG1-OG1 3.25Å; T120-V124 PolarHBondContact O-N 3.19Å; T120-V124 VanDerWaalsContact O-N 3.11Å
121	E	72.9	Confident	65.6	Low	69 Å²	69	77.5 Å²	77.5	32%	0.322	43%	0.431	S	S	.	.	H	α-helix	trans	-54.6	-45.5	173.7	-63.1	177.7	-172	0	0	111.9	T123 V124 R125 I153 T155	E121-T123 VanDerWaalsContact C-N 3.29Å; E121-T123 PolarHBondContact O-N 2.87Å; E121-V124 PolarHBondContact O-N 2.88Å; E121-R125 VanDerWaalsContact O-CB 3.31Å; E121-R125 WeakPolarHBondContact O-CB 2.94Å; E121-R125 PolarHBondContact O-N 3.28Å; E121-I153 HydrophobicContact CB-CG2 4.29Å; E121-T155 WeakPolarHBondContact CG-OG1 3.23Å; E121-T155 VanDerWaalsContact OE1-CB 3.3Å; E121-T155 WeakPolarHBondContact OE1-CB 3.44Å; E121-T155 PolarHBondContact OE1-N 3.18Å; E121-T155 PolarHBondContact OE1-OG1 2.89Å
122	D	73.8	Confident	67.8	Low	102 Å²	102	74.6 Å²	74.6	55%	0.545	41%	0.411	S	S	.	.	H	α-helix	trans	-63.6	-37.3	178.7	-63.8	-33.9	0	0	0	111.9	T120 R125 N126	T120-D122 VanDerWaalsContact C-N 3.29Å; T120-D122 PolarHBondContact O-N 2.81Å; D122-R125 PolarHBondContact O-N 2.86Å; D122-N126 WeakPolarHBondContact O-CB 3.42Å; D122-N126 PolarHBondContact O-N 3.12Å; D122-N126 PolarHBondContact O-ND2 2.83Å
123	T	74.1	Confident	69.9	Low	57 Å²	57	67.6 Å²	67.6	35%	0.35	39%	0.388	S	S	.	.	H	α-helix	trans	-62.6	-46	176.9	-53.9	0	0	0	0	110.8	T120 E121 A127	T120-T123 WeakPolarHBondContact O-CB 3.45Å; T120-T123 PolarHBondContact O-N 3.25Å; T120-T123 VanDerWaalsContact O-N 3.14Å; T120-T123 PolarHBondContact OG1-N 2.65Å; T120-T123 PolarHBondContact OG1-OG1 3.25Å; E121-T123 VanDerWaalsContact C-N 3.29Å; E121-T123 PolarHBondContact O-N 2.87Å; T123-A127 WeakPolarHBondContact O-CB 3.46Å; T123-A127 PolarHBondContact O-N 3.1Å; T123-A127 VanDerWaalsContact O-N 3.17Å
124	V	80.6	Confident	72.1	Confident	2 Å²	2	64.9 Å²	64.9	1%	0.012	37%	0.37	C	S	.	.	H	α-helix	trans	-67.9	-40.7	176.8	179.3	0	0	0	0	111	I32 L103 V119 T120 E121 A127 V128 I153	I32-V124 HydrophobicContact CD1-CG2 3.59Å; L103-V124 HydrophobicContact CD1-CG1 4.13Å; V119-V124 HydrophobicContact CG1-CG2 3.44Å; V119-V124 VanDerWaalsContact CG1-CG2 3.44Å; T120-V124 PolarHBondContact O-N 3.19Å; T120-V124 VanDerWaalsContact O-N 3.11Å; E121-V124 PolarHBondContact O-N 2.88Å; V124-A127 PolarHBondContact O-N 3.5Å; V124-V128 HydrophobicContact CG1-CG2 4.15Å; V124-V128 WeakPolarHBondContact O-CB 3.47Å; V124-V128 VanDerWaalsContact O-CG2 3.24Å; V124-V128 WeakPolarHBondContact O-CG2 3.23Å; V124-V128 PolarHBondContact O-N 2.91Å; V124-I153 HydrophobicContact CB-CG2 4.25Å; V124-I153 HydrophobicContact CG1-CD1 4.37Å; V124-I153 HydrophobicContact CG1-CG2 4.27Å
125	R	84.9	Confident	74.4	Confident	84 Å²	84	59.5 Å²	59.5	32%	0.317	35%	0.347	S	S	.	.	H	α-helix	trans	-58.1	-51.9	178	-174.8	-177	-67.8	-95.4	0.8	111.3	E121 D122 A127 V128 V129 L151 I153	E121-R125 VanDerWaalsContact O-CB 3.31Å; E121-R125 WeakPolarHBondContact O-CB 2.94Å; E121-R125 PolarHBondContact O-N 3.28Å; D122-R125 PolarHBondContact O-N 2.86Å; R125-A127 PolarHBondContact O-N 2.93Å; R125-V128 PolarHBondContact O-N 2.62Å; R125-V129 HydrophobicContact CG-CG2 4.48Å; R125-V129 WeakPolarHBondContact O-CB 3.36Å; R125-V129 VanDerWaalsContact O-CG2 3.27Å; R125-V129 WeakPolarHBondContact O-CG2 3.21Å; R125-V129 PolarHBondContact O-N 2.86Å; R125-L151 PolarHBondContact NH1-O 2.89Å; R125-I153 HydrophobicContact CB-CD1 3.69Å; R125-I153 HydrophobicContact CG-CD1 4.1Å
126	N	81.6	Confident	76.5	Confident	102 Å²	102	57 Å²	57	55%	0.545	33%	0.327	S	S	.	.	H	α-helix	trans	-62.3	-46.2	-179	-68.6	-14.6	0	0	0	111.4	D122 V128 V129 E130	D122-N126 WeakPolarHBondContact O-CB 3.42Å; D122-N126 PolarHBondContact O-N 3.12Å; D122-N126 PolarHBondContact O-ND2 2.83Å; N126-V128 VanDerWaalsContact C-N 3.34Å; N126-V128 PolarHBondContact O-N 3.36Å; N126-V129 PolarHBondContact O-N 2.78Å; N126-E130 WeakPolarHBondContact O-CB 3.17Å; N126-E130 PolarHBondContact O-N 2.87Å
127	A	82.5	Confident	78.6	Confident	5 Å²	5	56 Å²	56	4%	0.041	33%	0.325	C	S	.	.	H	α-helix	trans	-57.6	-44.4	176.7	0	0	0	0	0	113	T77 T123 V124 R125 Y131	T77-A127 HydrophobicContact CG2-CB 4.12Å; T77-A127 WeakPolarHBondContact OG1-CA 3.42Å; T77-A127 WeakPolarHBondContact OG1-CB 3.25Å; T123-A127 WeakPolarHBondContact O-CB 3.46Å; T123-A127 PolarHBondContact O-N 3.1Å; T123-A127 VanDerWaalsContact O-N 3.17Å; V124-A127 PolarHBondContact O-N 3.5Å; R125-A127 PolarHBondContact O-N 2.93Å; A127-Y131 WeakPolarHBondContact O-CB 3.46Å; A127-Y131 PolarHBondContact O-N 2.06Å; A127-Y131 VanDerWaalsContact O-N 3.14Å
128	V	86.5	Confident	80.3	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	33%	0.325	C	S	.	.	H	α-helix	trans	-69	-44.6	179.4	171	0	0	0	0	111	L69 L70 V124 R125 N126 I132 L151	L69-V128 HydrophobicContact CD2-CG1 4.44Å; L70-V128 HydrophobicContact CD2-CG1 4.42Å; L70-V128 HydrophobicContact CD2-CG2 3.66Å; V124-V128 HydrophobicContact CG1-CG2 4.15Å; V124-V128 WeakPolarHBondContact O-CB 3.47Å; V124-V128 VanDerWaalsContact O-CG2 3.24Å; V124-V128 WeakPolarHBondContact O-CG2 3.23Å; V124-V128 PolarHBondContact O-N 2.91Å; R125-V128 PolarHBondContact O-N 2.62Å; N126-V128 VanDerWaalsContact C-N 3.34Å; N126-V128 PolarHBondContact O-N 3.36Å; V128-I132 HydrophobicContact CG1-CD1 3.53Å; V128-I132 HydrophobicContact CG1-CG1 4.37Å; V128-I132 WeakPolarHBondContact O-CB 3.32Å; V128-I132 WeakPolarHBondContact O-CD1 3.42Å; V128-I132 WeakPolarHBondContact O-CG1 3.35Å; V128-I132 PolarHBondContact O-N 2.82Å; V128-L151 HydrophobicContact CG1-CD2 4.23Å
129	V	86.6	Confident	81.5	Confident	60 Å²	60	57.1 Å²	57.1	36%	0.364	33%	0.33	S	S	.	.	H	α-helix	trans	-63.6	-43.3	178.9	172.3	0	0	0	0	111.5	R125 N126 I132 A133 T147 L151	R125-V129 HydrophobicContact CG-CG2 4.48Å; R125-V129 WeakPolarHBondContact O-CB 3.36Å; R125-V129 VanDerWaalsContact O-CG2 3.27Å; R125-V129 WeakPolarHBondContact O-CG2 3.21Å; R125-V129 PolarHBondContact O-N 2.86Å; N126-V129 PolarHBondContact O-N 2.78Å; V129-I132 PolarHBondContact O-N 3.3Å; V129-A133 PolarHBondContact O-N 3.49Å; V129-T147 HydrophobicContact CG1-CG2 4.42Å; V129-T147 HydrophobicContact CG2-CG2 4.29Å; V129-L151 HydrophobicContact CG2-CD2 3.95Å
130	E	84.7	Confident	82.4	Confident	111 Å²	111	58.1 Å²	58.1	52%	0.519	34%	0.337	S	S	.	.	H	α-helix	trans	-62.3	-47.7	178.7	-171.8	173.9	-170.9	0	0	111.4	T77 N126 I132 A133 E134	T77-E130 WeakPolarHBondContact CG2-OE2 3.25Å; N126-E130 WeakPolarHBondContact O-CB 3.17Å; N126-E130 PolarHBondContact O-N 2.87Å; E130-I132 VanDerWaalsContact C-N 3.35Å; E130-I132 PolarHBondContact O-N 2.99Å; E130-A133 WeakPolarHBondContact O-CB 3.36Å; E130-A133 PolarHBondContact O-N 2.99Å; E130-A133 VanDerWaalsContact O-N 3.13Å; E130-E134 PolarHBondContact O-N 2.96Å; E130-E134 VanDerWaalsContact O-N 3.12Å
131	Y	87.4	Confident	83.1	Confident	41 Å²	41	59.8 Å²	59.8	16%	0.161	34%	0.344	C	S	.	.	H	α-helix	trans	-66.6	-35.4	178.2	-171.5	-112.6	0	0	0	112.7	L69 H72 S73 A127 A133 E134 I135	L69-Y131 HydrophobicContact CG-CD1 4.08Å; L69-Y131 HydrophobicContact CG-CE1 4.2Å; H72-Y131 HydrophobicContact CB-CE1 3.82Å; H72-Y131 HydrophobicContact CB-CE2 4.21Å; S73-Y131 WeakPolarHBondContact OG-CB 3.31Å; S73-Y131 VanDerWaalsContact OG-CD1 3.23Å; S73-Y131 WeakPolarHBondContact OG-CD1 3.31Å; A127-Y131 WeakPolarHBondContact O-CB 3.46Å; A127-Y131 PolarHBondContact O-N 2.06Å; A127-Y131 VanDerWaalsContact O-N 3.14Å; Y131-A133 VanDerWaalsContact C-N 3.32Å; Y131-A133 PolarHBondContact O-N 3.37Å; Y131-E134 WeakPolarHBondContact O-CB 3.33Å; Y131-E134 PolarHBondContact O-N 2.92Å; Y131-I135 HydrophobicContact CD1-CD1 3.85Å; Y131-I135 HydrophobicContact CD1-CG1 4.4Å; Y131-I135 HydrophobicContact CE1-CD1 3.61Å; Y131-I135 HydrophobicContact CE1-CG1 4.15Å; Y131-I135 WeakPolarHBondContact O-CG1 3.4Å; Y131-I135 PolarHBondContact O-N 3.35Å
132	I	87.7	Confident	83.8	Confident	3 Å²	3	60.8 Å²	60.8	2%	0.015	35%	0.348	C	S	.	.	H	α-helix	trans	-63.3	-40.6	172.6	-69.5	164.1	0	0	0	110.7	L69 V128 V129 E130 E134 I135 V136 Y144 F145 T147	L69-I132 HydrophobicContact CD1-CG1 4.32Å; V128-I132 HydrophobicContact CG1-CD1 3.53Å; V128-I132 HydrophobicContact CG1-CG1 4.37Å; V128-I132 WeakPolarHBondContact O-CB 3.32Å; V128-I132 WeakPolarHBondContact O-CD1 3.42Å; V128-I132 WeakPolarHBondContact O-CG1 3.35Å; V128-I132 PolarHBondContact O-N 2.82Å; V129-I132 PolarHBondContact O-N 3.3Å; E130-I132 VanDerWaalsContact C-N 3.35Å; E130-I132 PolarHBondContact O-N 2.99Å; I132-E134 VanDerWaalsContact C-N 3.27Å; I132-E134 PolarHBondContact O-N 3.1Å; I132-I135 PolarHBondContact O-N 2.69Å; I132-V136 HydrophobicContact CG2-CG2 4.23Å; I132-V136 VanDerWaalsContact O-CG2 3.31Å; I132-V136 WeakPolarHBondContact O-CG2 3.3Å; I132-V136 PolarHBondContact O-N 2.95Å; I132-Y144 HydrophobicContact CG2-CD2 3.57Å; I132-Y144 HydrophobicContact CG2-CE2 4.09Å; I132-Y144 HydrophobicContact CG2-CG 4.29Å; I132-F145 HydrophobicContact CD1-CB 4.02Å; I132-F145 WeakPolarHBondContact CD1-O 3.35Å; I132-T147 HydrophobicContact CB-CG2 4.3Å; I132-T147 HydrophobicContact CD1-CG2 4.08Å; I132-T147 HydrophobicContact CG2-CG2 3.89Å
133	A	86.3	Confident	84.6	Confident	57 Å²	57	56 Å²	56	47%	0.471	32%	0.323	S	S	.	.	H	α-helix	trans	-59.3	-39.4	175.7	0	0	0	0	0	111.5	V129 E130 Y131 V136 A137	V129-A133 PolarHBondContact O-N 3.49Å; E130-A133 WeakPolarHBondContact O-CB 3.36Å; E130-A133 PolarHBondContact O-N 2.99Å; E130-A133 VanDerWaalsContact O-N 3.13Å; Y131-A133 VanDerWaalsContact C-N 3.32Å; Y131-A133 PolarHBondContact O-N 3.37Å; A133-V136 PolarHBondContact O-N 2.84Å; A133-A137 VanDerWaalsContact O-CB 3.26Å; A133-A137 WeakPolarHBondContact O-CB 3.47Å; A133-A137 PolarHBondContact O-N 2.76Å
134	E	85.8	Confident	85.3	Confident	100 Å²	100	53.6 Å²	53.6	47%	0.467	31%	0.307	S	S	.	.	H	α-helix	trans	-64.3	-45.1	173.2	-65.7	-170.3	162.2	0	0	113.1	E130 Y131 I132 V136 A137 N138	E130-E134 PolarHBondContact O-N 2.96Å; E130-E134 VanDerWaalsContact O-N 3.12Å; Y131-E134 WeakPolarHBondContact O-CB 3.33Å; Y131-E134 PolarHBondContact O-N 2.92Å; I132-E134 VanDerWaalsContact C-N 3.27Å; I132-E134 PolarHBondContact O-N 3.1Å; E134-V136 VanDerWaalsContact C-N 3.29Å; E134-V136 PolarHBondContact O-N 3Å; E134-A137 PolarHBondContact O-N 2.83Å; E134-N138 VanDerWaalsContact O-CB 3.31Å; E134-N138 WeakPolarHBondContact O-CB 3.22Å; E134-N138 VanDerWaalsContact O-CG 3.29Å; E134-N138 PolarHBondContact O-N 3.3Å; E134-N138 PolarHBondContact O-ND2 2.95Å; E134-N138 VanDerWaalsContact O-ND2 3.11Å
135	I	84.7	Confident	85.7	Confident	6 Å²	6	53.6 Å²	53.6	3%	0.031	31%	0.307	C	S	.	.	H	α-helix	trans	-57.3	-45.8	176.8	-70.7	174.3	0	0	0	110.3	L69 Y131 I132 N138 G139 S140 Y144	L69-I135 HydrophobicContact CD1-CD1 3.58Å; L69-I135 HydrophobicContact CG-CD1 4.21Å; Y131-I135 HydrophobicContact CD1-CD1 3.85Å; Y131-I135 HydrophobicContact CD1-CG1 4.4Å; Y131-I135 HydrophobicContact CE1-CD1 3.61Å; Y131-I135 HydrophobicContact CE1-CG1 4.15Å; Y131-I135 WeakPolarHBondContact O-CG1 3.4Å; Y131-I135 PolarHBondContact O-N 3.35Å; I132-I135 PolarHBondContact O-N 2.69Å; I135-N138 PolarHBondContact O-N 3.49Å; I135-G139 PolarHBondContact O-N 2.7Å; I135-S140 PolarHBondContact O-N 3.11Å; I135-S140 VanDerWaalsContact O-N 3.13Å; I135-Y144 HydrophobicContact CG2-CD1 3.76Å; I135-Y144 HydrophobicContact CG2-CE1 4.21Å; I135-Y144 HydrophobicContact CG2-CG 4.37Å
136	V	85.5	Confident	85.5	Confident	53 Å²	53	49.8 Å²	49.8	32%	0.321	29%	0.294	S	S	.	.	H	α-helix	trans	-67.5	-44.9	-179.8	174.3	0	0	0	0	110.9	I132 A133 E134 N138 G139 Y144	I132-V136 HydrophobicContact CG2-CG2 4.23Å; I132-V136 VanDerWaalsContact O-CG2 3.31Å; I132-V136 WeakPolarHBondContact O-CG2 3.3Å; I132-V136 PolarHBondContact O-N 2.95Å; A133-V136 PolarHBondContact O-N 2.84Å; E134-V136 VanDerWaalsContact C-N 3.29Å; E134-V136 PolarHBondContact O-N 3Å; V136-N138 VanDerWaalsContact C-N 3.3Å; V136-N138 PolarHBondContact O-N 2.99Å; V136-G139 PolarHBondContact O-N 2.79Å; V136-G139 VanDerWaalsContact O-N 3.11Å; V136-Y144 HydrophobicContact CG2-CD2 4.49Å; V136-Y144 HydrophobicContact CG2-CE1 4.36Å; V136-Y144 HydrophobicContact CG2-CE2 3.75Å
137	A	84.3	Confident	85.1	Confident	85 Å²	85	48.5 Å²	48.5	70%	0.702	29%	0.29	S	S	*	.	H	α-helix	trans	-62.4	-36.9	178	0	0	0	0	0	112.4	A133 E134 G139	A133-A137 VanDerWaalsContact O-CB 3.26Å; A133-A137 WeakPolarHBondContact O-CB 3.47Å; A133-A137 PolarHBondContact O-N 2.76Å; E134-A137 PolarHBondContact O-N 2.83Å; A137-G139 PolarHBondContact O-N 2.97Å
138	N	84.9	Confident	84.4	Confident	133 Å²	133	53.8 Å²	53.8	71%	0.711	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-6.2	177.4	-72.3	-35.2	0	0	0	113.8	E134 I135 V136 S140	E134-N138 VanDerWaalsContact O-CB 3.31Å; E134-N138 WeakPolarHBondContact O-CB 3.22Å; E134-N138 VanDerWaalsContact O-CG 3.29Å; E134-N138 PolarHBondContact O-N 3.3Å; E134-N138 PolarHBondContact O-ND2 2.95Å; E134-N138 VanDerWaalsContact O-ND2 3.11Å; I135-N138 PolarHBondContact O-N 3.49Å; V136-N138 VanDerWaalsContact C-N 3.3Å; V136-N138 PolarHBondContact O-N 2.99Å; N138-S140 VanDerWaalsContact C-N 3.25Å; N138-S140 PolarHBondContact O-N 2.89Å
139	G	82.6	Confident	83	Confident	55 Å²	55	55.1 Å²	55.1	57%	0.567	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.6	32.3	-176.9	0	0	0	0	0	113.1	I135 V136 A137	I135-G139 PolarHBondContact O-N 2.7Å; V136-G139 PolarHBondContact O-N 2.79Å; V136-G139 VanDerWaalsContact O-N 3.11Å; A137-G139 PolarHBondContact O-N 2.97Å
140	S	82.5	Confident	82	Confident	34 Å²	34	54.7 Å²	54.7	24%	0.238	34%	0.343	C	S	.	.			trans	-68.8	140.2	-178.3	-178.1	0	0	0	0	111.5	L41 I135 N138 Q142	L41-S140 WeakPolarHBondContact CD2-O 3.46Å; I135-S140 PolarHBondContact O-N 3.11Å; I135-S140 VanDerWaalsContact O-N 3.13Å; N138-S140 VanDerWaalsContact C-N 3.25Å; N138-S140 PolarHBondContact O-N 2.89Å; S140-Q142 PolarHBondContact O-N 3.33Å; S140-Q142 WeakPolarHBondContact OG-CG 3.45Å; S140-Q142 PolarHBondContact OG-N 2.94Å
141	D	84.5	Confident	81.8	Confident	97 Å²	97	50 Å²	50	52%	0.519	32%	0.322	S	S	.	.			trans	-86.3	18.9	175.6	-167.9	31.3	0	0	0	112.7	R40 L41	R40-D141 WeakPolarHBondContact CD-O 3.42Å; R40-D141 WeakPolarHBondContact CD-OD1 3.31Å; R40-D141 WeakPolarHBondContact CG-O 2.93Å; R40-D141 VanDerWaalsContact CG-OD1 3.23Å; R40-D141 WeakPolarHBondContact CG-OD1 3.23Å; R40-D141 IonicContact NE-OD1 3.56Å; L41-D141 VanDerWaalsContact CD1-OD1 3.27Å; L41-D141 WeakPolarHBondContact CD1-OD1 3.28Å; L41-D141 HydrophobicContact CD2-CB 4.35Å; L41-D141 HydrophobicContact CG-CB 4.48Å; L41-D141 WeakPolarHBondContact CG-OD1 3.3Å
142	Q	88.1	Confident	81.4	Confident	89 Å²	89	51.1 Å²	51.1	42%	0.416	33%	0.333	S	S	.	.			trans	-74.5	153.9	175.5	-74.3	-179.7	-22.1	0	0	111.5	S140 Y144	S140-Q142 PolarHBondContact O-N 3.33Å; S140-Q142 WeakPolarHBondContact OG-CG 3.45Å; S140-Q142 PolarHBondContact OG-N 2.94Å; Q142-Y144 VanDerWaalsContact O-CD1 3.31Å; Q142-Y144 WeakPolarHBondContact O-CD1 3.3Å
143	I	90.4	Very high	81.1	Confident	1 Å²	1	51.1 Å²	51.1	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	133	170.5	-61.1	171	0	0	0	109.1	L38 T39 L45 Y62 Q65	L38-I143 HydrophobicContact CB-CG2 4.04Å; L38-I143 HydrophobicContact CD1-CG2 4.24Å; L38-I143 HydrophobicContact CD2-CG2 4.3Å; L38-I143 HydrophobicContact CG-CG2 4.44Å; T39-I143 WeakPolarHBondContact O-CA 3.43Å; L45-I143 HydrophobicContact CD1-CD1 3.93Å; L45-I143 HydrophobicContact CD1-CG1 3.98Å; L45-I143 HydrophobicContact CD1-CG2 3.79Å; Y62-I143 HydrophobicContact CD1-CD1 4.16Å; Y62-I143 HydrophobicContact CD2-CD1 3.31Å; Y62-I143 HydrophobicContact CE1-CD1 4.21Å; Y62-I143 HydrophobicContact CE2-CD1 3.35Å; Y62-I143 HydrophobicContact CG-CD1 3.73Å; Q65-I143 HydrophobicContact CB-CB 4.33Å; Q65-I143 VanDerWaalsContact OE1-N 3.13Å
144	Y	90.3	Very high	80.6	Confident	8 Å²	8	53.9 Å²	53.9	3%	0.031	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	165.8	176.8	58.1	-87.7	0	0	0	112.4	T39 N42 I132 I135 V136 Q142	T39-Y144 HydrophobicContact CG2-CE2 3.95Å; T39-Y144 PolarHBondContact N-O 3.06Å; T39-Y144 PolarHBondContact O-N 3.08Å; N42-Y144 VanDerWaalsContact CA-OH 3.3Å; N42-Y144 WeakPolarHBondContact CA-OH 3.05Å; N42-Y144 PolarHBondContact N-OH 3.01Å; N42-Y144 PolarHBondContact OD1-OH 2.92Å; I132-Y144 HydrophobicContact CG2-CD2 3.57Å; I132-Y144 HydrophobicContact CG2-CE2 4.09Å; I132-Y144 HydrophobicContact CG2-CG 4.29Å; I135-Y144 HydrophobicContact CG2-CD1 3.76Å; I135-Y144 HydrophobicContact CG2-CE1 4.21Å; I135-Y144 HydrophobicContact CG2-CG 4.37Å; V136-Y144 HydrophobicContact CG2-CD2 4.49Å; V136-Y144 HydrophobicContact CG2-CE1 4.36Å; V136-Y144 HydrophobicContact CG2-CE2 3.75Å; Q142-Y144 VanDerWaalsContact O-CD1 3.31Å; Q142-Y144 WeakPolarHBondContact O-CD1 3.3Å
145	F	88.1	Confident	79.8	Confident	1 Å²	1	51.6 Å²	51.6	0%	0.004	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	133.4	175.9	-65.6	-74	0	0	0	110.7	V34 L38 I66 L69 L70 I132 T147 L151	V34-F145 HydrophobicContact CG1-CD2 4.39Å; V34-F145 HydrophobicContact CG1-CE1 4.36Å; V34-F145 HydrophobicContact CG1-CE2 4.02Å; V34-F145 HydrophobicContact CG1-CZ 3.96Å; L38-F145 HydrophobicContact CD2-CD1 3.61Å; L38-F145 HydrophobicContact CD2-CE1 3.74Å; L38-F145 HydrophobicContact CD2-CG 4.36Å; I66-F145 HydrophobicContact CG2-CE1 4.37Å; I66-F145 HydrophobicContact CG2-CE2 3.82Å; I66-F145 HydrophobicContact CG2-CZ 3.44Å; I66-F145 VanDerWaalsContact CG2-CZ 3.44Å; L69-F145 HydrophobicContact CD2-CD2 4Å; L69-F145 HydrophobicContact CD2-CE2 4.24Å; L70-F145 HydrophobicContact CD1-CE2 4.05Å; L70-F145 HydrophobicContact CD1-CZ 4.28Å; L70-F145 HydrophobicContact CD2-CD2 4.35Å; L70-F145 HydrophobicContact CD2-CE2 3.7Å; L70-F145 HydrophobicContact CG-CE2 3.87Å; I132-F145 HydrophobicContact CD1-CB 4.02Å; I132-F145 WeakPolarHBondContact CD1-O 3.35Å; F145-T147 PolarHBondContact O-N 2.97Å; F145-L151 HydrophobicContact CB-CD1 4.07Å; F145-L151 HydrophobicContact CG-CD1 4.26Å
146	G	81.3	Confident	78.3	Confident	4 Å²	4	55.3 Å²	55.3	4%	0.041	35%	0.352	C	S	.	.			trans	-66.3	119	171.6	0	0	0	0	0	109.9	S36 T37 S149	S36-G146 PolarHBondContact OG-O 3.31Å; T37-G146 PolarHBondContact O-N 2.94Å; G146-S149 PolarHBondContact O-N 2.92Å
147	T	73.2	Confident	76.9	Confident	75 Å²	75	57 Å²	57	46%	0.46	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-33.6	179.8	49.5	0	0	0	0	112	V129 I132 F145 S149	V129-T147 HydrophobicContact CG1-CG2 4.42Å; V129-T147 HydrophobicContact CG2-CG2 4.29Å; I132-T147 HydrophobicContact CB-CG2 4.3Å; I132-T147 HydrophobicContact CD1-CG2 4.08Å; I132-T147 HydrophobicContact CG2-CG2 3.89Å; F145-T147 PolarHBondContact O-N 2.97Å; T147-S149 VanDerWaalsContact C-N 3.29Å; T147-S149 PolarHBondContact O-N 3Å
148	S	67.2	Low	74.9	Confident	116 Å²	116	57.4 Å²	57.4	81%	0.811	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-2.4	173.7	52.9	0	0	0	0	114
149	S	58.1	Low	72.7	Confident	29 Å²	29	53.5 Å²	53.5	20%	0.203	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-103.9	26.6	-169.5	-43.5	0	0	0	0	113.9	T37 G146 T147	T37-S149 VanDerWaalsContact CB-CB 3.5Å; G146-S149 PolarHBondContact O-N 2.92Å; T147-S149 VanDerWaalsContact C-N 3.29Å; T147-S149 PolarHBondContact O-N 3Å
150	G	64.8	Low	70.5	Confident	50 Å²	50	52.6 Å²	52.6	52%	0.515	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.7	56	179.8	0	0	0	0	0	113.1	T152	G150-T152 PolarHBondContact O-N 3.11Å
151	L	79.4	Confident	68	Low	13 Å²	13	57 Å²	57	7%	0.068	35%	0.348	C	S	.	.			trans	-62.4	107.1	171.8	179.8	65.2	0	0	0	110.2	V34 R125 V128 V129 F145 I153	V34-L151 HydrophobicContact CG1-CD1 3.8Å; R125-L151 PolarHBondContact NH1-O 2.89Å; V128-L151 HydrophobicContact CG1-CD2 4.23Å; V129-L151 HydrophobicContact CG2-CD2 3.95Å; F145-L151 HydrophobicContact CB-CD1 4.07Å; F145-L151 HydrophobicContact CG-CD1 4.26Å; L151-I153 HydrophobicContact CD1-CD1 4.42Å; L151-I153 HydrophobicContact CD1-CG1 4.38Å; L151-I153 HydrophobicContact CD2-CD1 4.1Å; L151-I153 HydrophobicContact CG-CD1 4.12Å; L151-I153 HydrophobicContact CG-CG1 4.27Å
152	T	80.9	Confident	65.3	Low	65 Å²	65	57.9 Å²	57.9	40%	0.399	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	125.8	176.4	58.5	0	0	0	0	109.5	V34 S35 G150	V34-T152 WeakPolarHBondContact CA-O 3.36Å; S35-T152 WeakPolarHBondContact CB-OG1 3.27Å; S35-T152 PolarHBondContact N-O 2.67Å; S35-T152 PolarHBondContact O-N 2.83Å; S35-T152 PolarHBondContact O-OG1 2.97Å; S35-T152 VanDerWaalsContact O-OG1 3.11Å; G150-T152 PolarHBondContact O-N 3.11Å
153	I	80	Confident	62.4	Low	2 Å²	2	61.6 Å²	61.6	1%	0.01	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	122.8	176.4	-65.3	172.2	0	0	0	106.3	I32 T33 V34 E121 V124 R125 L151	I32-I153 HydrophobicContact CG2-CG2 3.66Å; T33-I153 VanDerWaalsContact O-CA 3.31Å; T33-I153 WeakPolarHBondContact O-CA 3.29Å; V34-I153 HydrophobicContact CB-CG1 4.48Å; V34-I153 HydrophobicContact CG1-CG1 4.05Å; V34-I153 HydrophobicContact CG2-CG1 4.19Å; E121-I153 HydrophobicContact CB-CG2 4.29Å; V124-I153 HydrophobicContact CB-CG2 4.25Å; V124-I153 HydrophobicContact CG1-CD1 4.37Å; V124-I153 HydrophobicContact CG1-CG2 4.27Å; R125-I153 HydrophobicContact CB-CD1 3.69Å; R125-I153 HydrophobicContact CG-CD1 4.1Å; L151-I153 HydrophobicContact CD1-CD1 4.42Å; L151-I153 HydrophobicContact CD1-CG1 4.38Å; L151-I153 HydrophobicContact CD2-CD1 4.1Å; L151-I153 HydrophobicContact CG-CD1 4.12Å; L151-I153 HydrophobicContact CG-CG1 4.27Å
154	E	77.2	Confident	59.2	Low	115 Å²	115	69 Å²	69	54%	0.537	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	141.8	-173.1	-67.5	177.2	-175.3	0	0	110.2	I32 T33	I32-E154 CarbonylContact C-O 3.57Å; I32-E154 WeakPolarHBondContact CA-O 3.32Å; T33-E154 PolarHBondContact N-O 2.83Å; T33-E154 PolarHBondContact O-N 2.68Å; T33-E154 PolarHBondContact OG1-O 2.87Å
155	T	68.5	Low	56.1	Low	52 Å²	52	76.3 Å²	76.3	32%	0.319	45%	0.449	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	119.4	174.9	-49.7	0	0	0	0	109	I32 E121	I32-T155 HydrophobicContact CG1-CG2 4.5Å; E121-T155 WeakPolarHBondContact CG-OG1 3.23Å; E121-T155 VanDerWaalsContact OE1-CB 3.3Å; E121-T155 WeakPolarHBondContact OE1-CB 3.44Å; E121-T155 PolarHBondContact OE1-N 3.18Å; E121-T155 PolarHBondContact OE1-OG1 2.89Å
156	V	53.6	Low	53	Low	85 Å²	85	81.5 Å²	81.5	52%	0.515	48%	0.48	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-34.8	-176.1	-173.4	0	0	0	0	111.4	I31 T33	I31-V156 HydrophobicContact CB-CB 4.46Å; I31-V156 HydrophobicContact CG2-CB 4.28Å; I31-V156 PolarHBondContact O-N 2.76Å; T33-V156 HydrophobicContact CG2-CG2 3.63Å
157	I	54.6	Low	50.3	Low	87 Å²	87	88.7 Å²	88.7	45%	0.446	51%	0.513	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149	127.1	179	-56.8	-177.1	0	0	0	109	A30 I31 A159	A30-I157 WeakPolarHBondContact CA-O 3.25Å; I31-I157 HydrophobicContact CD1-CB 4.44Å; I31-I157 HydrophobicContact CD1-CD1 4.1Å; I31-I157 HydrophobicContact CD1-CG1 4.47Å; I31-I157 HydrophobicContact CG1-CB 4.5Å; I31-I157 PolarHBondContact N-O 2.78Å; I31-I157 VanDerWaalsContact N-O 3.08Å; I157-A159 HydrophobicContact CG2-CB 4.03Å
158	D	44	Very low	48	Very low	94 Å²	94	89.8 Å²	89.8	50%	0.503	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	93.3	158.9	-170.7	3.5	0	0	0	108.2	A160	D158-A160 PolarHBondContact O-N 3.33Å
159	A	38.2	Very low	45.9	Very low	52 Å²	52	91.5 Å²	91.5	43%	0.43	52%	0.519	S	S	.	.			trans	-80.2	70.8	-179.6	0	0	0	0	0	109.3	T29 I157	T29-A159 PolarHBondContact O-N 2.8Å; I157-A159 HydrophobicContact CG2-CB 4.03Å
160	A	35.7	Very low	44.3	Very low	35 Å²	35	97.3 Å²	97.3	29%	0.289	55%	0.547	S	S	.	.			trans	-119	37.6	179.9	0	0	0	0	0	112.2	K28 D158	K28-A160 HydrophobicContact CD-CB 4.42Å; D158-A160 PolarHBondContact O-N 3.33Å
161	T	30	Very low	42.4	Very low	128 Å²	128	101.3 Å²	101.3	79%	0.785	56%	0.562	S	S	*	*			trans	-173.3	88.8	171.6	19	0	0	0	0	110.5
162	T	28.4	Very low	39.8	Very low	114 Å²	114	108.8 Å²	108.8	70%	0.699	60%	0.597	S	S	*	*			trans	-110.4	98.1	152.2	-46.4	0	0	0	0	105.4	M164	T162-M164 PolarHBondContact O-N 2.82Å
163	E	26.7	Very low	37.2	Very low	168 Å²	168	110.1 Å²	110.1	79%	0.785	61%	0.614	S	S	*	*			trans	-52.3	130.2	173.4	-73.2	-172.8	147.8	0	0	109.3	I165	E163-I165 PolarHBondContact O-N 3.48Å
164	M	24	Very low	34.5	Very low	157 Å²	157	120 Å²	120	77%	0.773	65%	0.653	S	S	*	*			trans	-59.6	101	172.2	-76.6	-167	-66.6	0	0	108.8	T162 T166	T162-M164 PolarHBondContact O-N 2.82Å; M164-T166 HydrophobicContact CB-CG2 4.49Å; M164-T166 PolarHBondContact O-N 2.71Å
165	I	24.1	Very low	31.9	Very low	161 Å²	161	124.2 Å²	124.2	83%	0.826	67%	0.669	S	S	*	*			trans	-71.9	87.1	154.3	-53.2	174.1	0	0	0	104.9	E163 E167	E163-I165 PolarHBondContact O-N 3.48Å; I165-E167 PolarHBondContact O-N 3.4Å
166	T	23.7	Very low	29.9	Very low	109 Å²	109	127.9 Å²	127.9	67%	0.669	69%	0.692	S	S	*	*			trans	-61.4	92.3	166.1	33.5	0	0	0	0	107.6	M164 S168	M164-T166 HydrophobicContact CB-CG2 4.49Å; M164-T166 PolarHBondContact O-N 2.71Å; T166-S168 PolarHBondContact O-N 3.27Å
167	E	24.6	Very low	28.5	Very low	156 Å²	156	130.9 Å²	130.9	73%	0.729	71%	0.711	S	S	*	*			trans	-69.3	87.9	164.6	-161.9	177.8	-170.4	0	0	106.4	I165 Q169	I165-E167 PolarHBondContact O-N 3.4Å; E167-Q169 HydrophobicContact CG-CG 4.46Å; E167-Q169 PolarHBondContact O-N 2.87Å
168	S	23.5	Very low	27.1	Very low	97 Å²	97	130 Å²	130	68%	0.678	72%	0.723	S	S	*	*			trans	-64.4	86.8	169.3	58.2	0	0	0	0	107.4	T166 D170	T166-S168 PolarHBondContact O-N 3.27Å; S168-D170 PolarHBondContact O-N 3.48Å
169	Q	24.5	Very low	26.1	Very low	153 Å²	153	135 Å²	135	72%	0.715	74%	0.743	S	S	*	*			trans	-69	95.6	161	-70	-153.2	-14.7	0	0	106.8	E167 T171	E167-Q169 HydrophobicContact CG-CG 4.46Å; E167-Q169 PolarHBondContact O-N 2.87Å; Q169-T171 PolarHBondContact O-N 2.96Å; Q169-T171 PolarHBondContact O-OG1 3.44Å
170	D	23.8	Very low	25.6	Very low	150 Å²	150	141 Å²	141	80%	0.802	76%	0.762	S	S	*	*			trans	-46.5	94.6	160.3	-85.5	-36.6	0	0	0	107.7	S168 E172	S168-D170 PolarHBondContact O-N 3.48Å; D170-E172 VanDerWaalsContact C-N 3.35Å; D170-E172 PolarHBondContact O-N 2.92Å
171	T	25.8	Very low	25	Very low	134 Å²	134	145.9 Å²	145.9	82%	0.822	79%	0.789	S	S	*	*			trans	-72.1	103.3	166.7	0.5	0	0	0	0	103.9	Q169 A173	Q169-T171 PolarHBondContact O-N 2.96Å; Q169-T171 PolarHBondContact O-OG1 3.44Å; T171-A173 VanDerWaalsContact C-N 3.27Å; T171-A173 PolarHBondContact O-N 3.21Å
172	E	24.9	Very low	25	Very low	171 Å²	171	145.7 Å²	145.7	80%	0.799	79%	0.788	S	S	*	*			trans	-47.9	94.9	170.5	-76.4	-170.7	149	0	0	108.9	D170 Y174	D170-E172 VanDerWaalsContact C-N 3.35Å; D170-E172 PolarHBondContact O-N 2.92Å; E172-Y174 VanDerWaalsContact C-N 3.34Å; E172-Y174 PolarHBondContact O-N 3.37Å
173	A	25.4	Very low	24.7	Very low	92 Å²	92	148.1 Å²	148.1	76%	0.76	80%	0.796	S	S	*	*			trans	-65.9	102.2	169.6	0	0	0	0	0	105.9	T171 K175	T171-A173 VanDerWaalsContact C-N 3.27Å; T171-A173 PolarHBondContact O-N 3.21Å; A173-K175 PolarHBondContact O-N 3.32Å
174	Y	23.1	Very low	24.8	Very low	210 Å²	210	146.1 Å²	146.1	82%	0.824	80%	0.796	S	S	*	*			trans	-45.4	108.3	171	-90.5	-99.5	0	0	0	108.9	E172 T176	E172-Y174 VanDerWaalsContact C-N 3.34Å; E172-Y174 PolarHBondContact O-N 3.37Å; Y174-T176 PolarHBondContact O-N 2.89Å
175	K	23.8	Very low	25	Very low	204 Å²	204	144.9 Å²	144.9	89%	0.887	80%	0.797	S	S	*	*			trans	-57.7	90.3	168.4	-78.7	179.3	176.2	173.9	0	108.4	A173	A173-K175 PolarHBondContact O-N 3.32Å
176	T	25.7	Very low	24.9	Very low	128 Å²	128	145.9 Å²	145.9	79%	0.785	80%	0.798	S	S	*	*			trans	-84.8	107.7	157.3	36.7	0	0	0	0	106.3	Y174 G178	Y174-T176 PolarHBondContact O-N 2.89Å; T176-G178 PolarHBondContact O-N 2.84Å
177	T	23.9	Very low	25	Very low	149 Å²	149	146.6 Å²	146.6	91%	0.914	80%	0.802	S	S	*	*			trans	-56.3	99.4	169.4	41.7	0	0	0	0	109.3
178	G	26.4	Very low	25	Very low	69 Å²	69	144.9 Å²	144.9	71%	0.711	80%	0.803	S	S	*	*			trans	-133.6	94.3	172.4	0	0	0	0	0	108.3	T176 E180	T176-G178 PolarHBondContact O-N 2.84Å; G178-E180 PolarHBondContact O-N 2.96Å
179	E	21.9	Very low	25	Very low	198 Å²	198	145.9 Å²	145.9	93%	0.925	81%	0.805	S	S	*	*			trans	-75.1	93.8	174.1	-168.5	176.3	-151.4	0	0	107.6
180	E	28.1	Very low	24.9	Very low	178 Å²	178	147.1 Å²	147.1	83%	0.832	81%	0.811	S	S	*	*			trans	-128.8	110.2	165.3	-94.2	-170.9	165	0	0	110.1	G178	G178-E180 PolarHBondContact O-N 2.96Å
181	T	22.6	Very low	24.9	Very low	137 Å²	137	146.7 Å²	146.7	84%	0.84	81%	0.807	S	S	*	*			trans	-67.2	117.3	167.9	47	0	0	0	0	109.9
182	T	29.7	Very low	24.7	Very low	124 Å²	124	147.4 Å²	147.4	76%	0.761	81%	0.806	S	S	*	*			trans	-140.3	110.9	158.2	7.3	0	0	0	0	110.3	T184	T182-T184 PolarHBondContact O-N 3.32Å
183	D	23.5	Very low	24.8	Very low	165 Å²	165	146.4 Å²	146.4	88%	0.882	80%	0.804	S	S	*	*			trans	-53.7	120.9	161.6	-87.7	-42.2	0	0	0	110.1
184	T	28.5	Very low	24.7	Very low	126 Å²	126	147.6 Å²	147.6	77%	0.773	80%	0.802	S	S	*	*			trans	-140.5	98.3	155.3	40.4	0	0	0	0	109.6	T182	T182-T184 PolarHBondContact O-N 3.32Å
185	T	26.9	Very low	24.7	Very low	131 Å²	131	146.4 Å²	146.4	80%	0.804	80%	0.804	S	S	*	*			trans	-1.3	116.5	150.7	23.2	0	0	0	0	117.2	V187	T185-V187 PolarHBondContact O-N 3.46Å
186	E	22.7	Very low	24.8	Very low	182 Å²	182	142.5 Å²	142.5	85%	0.85	80%	0.798	S	S	*	*			trans	-56.8	125.9	158.7	-74.8	176.2	141.9	0	0	110.1
187	V	26.4	Very low	24.8	Very low	125 Å²	125	143.8 Å²	143.8	76%	0.758	80%	0.8	S	S	*	*			trans	-102.3	97.8	163.9	178.6	0	0	0	0	106.2	T185 T189	T185-V187 PolarHBondContact O-N 3.46Å; V187-T189 PolarHBondContact O-N 2.89Å
188	T	23	Very low	25	Very low	120 Å²	120	144.2 Å²	144.2	74%	0.736	80%	0.795	S	S	*	*			trans	-73.8	103.5	167.9	45.3	0	0	0	0	108.6
189	T	25.2	Very low	25	Very low	117 Å²	117	146.6 Å²	146.6	72%	0.718	80%	0.795	S	S	*	*			trans	-89.7	99.3	160.9	34.3	0	0	0	0	108.1	V187 I191	V187-T189 PolarHBondContact O-N 2.89Å; T189-I191 PolarHBondContact O-N 2.93Å
190	E	21.5	Very low	25.3	Very low	180 Å²	180	146.2 Å²	146.2	84%	0.841	79%	0.794	S	S	*	*			trans	-62.1	118.2	161.5	-80	174.8	147.8	0	0	108.1
191	I	24.1	Very low	25.3	Very low	140 Å²	140	143.5 Å²	143.5	72%	0.718	79%	0.79	S	S	*	*			trans	-99.9	98	166	-60.3	176.8	0	0	0	105.5	T189 I193	T189-I191 PolarHBondContact O-N 2.93Å; I191-I193 HydrophobicContact CG2-CD1 4.34Å; I191-I193 HydrophobicContact CG2-CG1 3.76Å; I191-I193 PolarHBondContact O-N 3.47Å; I191-I193 VanDerWaalsContact O-N 3.16Å
192	D	22.3	Very low	25.5	Very low	149 Å²	149	144.4 Å²	144.4	80%	0.797	79%	0.789	S	S	*	*			trans	-67.1	101	165.5	-93.9	-32	0	0	0	108.2
193	I	25.3	Very low	25.5	Very low	150 Å²	150	146.3 Å²	146.3	77%	0.769	79%	0.793	S	S	*	*			trans	-93.2	98.1	164.3	-50.6	-179.9	0	0	0	105.8	I191 E195	I191-I193 HydrophobicContact CG2-CD1 4.34Å; I191-I193 HydrophobicContact CG2-CG1 3.76Å; I191-I193 PolarHBondContact O-N 3.47Å; I191-I193 VanDerWaalsContact O-N 3.16Å; I193-E195 PolarHBondContact O-N 2.83Å
194	T	24.2	Very low	25.7	Very low	117 Å²	117	144 Å²	144	72%	0.718	79%	0.785	S	S	*	*			trans	-64.1	114.2	169.7	43.5	0	0	0	0	108.9	T196	T194-T196 PolarHBondContact O-N 3.13Å; T194-T196 VanDerWaalsContact O-N 3.08Å
195	E	23.9	Very low	25.7	Very low	186 Å²	186	147.1 Å²	147.1	87%	0.869	79%	0.791	S	S	*	*			trans	-58.5	103.7	170.3	-159.4	168.4	-153.6	0	0	108.4	I193 D197	I193-E195 PolarHBondContact O-N 2.83Å; E195-D197 PolarHBondContact O-N 2.94Å
196	T	25.5	Very low	25.8	Very low	122 Å²	122	146.5 Å²	146.5	75%	0.748	79%	0.787	S	S	*	*			trans	-76.6	112.6	171.9	1.1	0	0	0	0	107.7	T194 I198	T194-T196 PolarHBondContact O-N 3.13Å; T194-T196 VanDerWaalsContact O-N 3.08Å; T196-I198 PolarHBondContact O-N 2.96Å
197	D	24.5	Very low	26.2	Very low	155 Å²	155	146.5 Å²	146.5	83%	0.829	79%	0.787	S	S	*	*			trans	-50.3	102.5	167.5	-78.7	-43.5	0	0	0	109.6	E195 T199	E195-D197 PolarHBondContact O-N 2.94Å; D197-T199 PolarHBondContact O-N 2.77Å
198	I	28.2	Very low	26.6	Very low	158 Å²	158	145.3 Å²	145.3	81%	0.81	78%	0.78	S	S	*	*			trans	-81.3	101.6	166.7	-54.6	176.2	0	0	0	105	T196 E200	T196-I198 PolarHBondContact O-N 2.96Å; I198-E200 PolarHBondContact O-N 2.8Å; I198-E200 VanDerWaalsContact O-N 3.17Å
199	T	27.5	Very low	27.4	Very low	118 Å²	118	146.6 Å²	146.6	72%	0.724	78%	0.779	S	S	*	*			trans	-59.4	117.1	170.6	45.3	0	0	0	0	108.9	D197 T201	D197-T199 PolarHBondContact O-N 2.77Å; T199-T201 PolarHBondContact O-N 2.9Å
200	E	28	Very low	28.3	Very low	191 Å²	191	145.1 Å²	145.1	89%	0.893	76%	0.764	S	S	*	*			trans	-51.8	104	173.7	-154.6	168.3	-156.2	0	0	109.2	I198 D202	I198-E200 PolarHBondContact O-N 2.8Å; I198-E200 VanDerWaalsContact O-N 3.17Å; E200-D202 PolarHBondContact O-N 3.26Å
201	T	27.7	Very low	29.7	Very low	121 Å²	121	138.6 Å²	138.6	74%	0.742	74%	0.737	S	S	*	*			trans	-75	121.7	172.2	-7.6	0	0	0	0	107.6	T199 I203	T199-T201 PolarHBondContact O-N 2.9Å; T201-I203 PolarHBondContact O-N 2.8Å
202	D	26.6	Very low	31.1	Very low	156 Å²	156	136.3 Å²	136.3	83%	0.834	72%	0.723	S	S	*	*			trans	-47.6	105.4	171.3	-77.8	-46.3	0	0	0	110.1	E200 T204	E200-D202 PolarHBondContact O-N 3.26Å; D202-T204 PolarHBondContact O-N 2.96Å
203	I	29.4	Very low	33	Very low	163 Å²	163	130.6 Å²	130.6	84%	0.836	69%	0.69	S	S	*	*			trans	-80.6	97.5	169.2	-53.9	174.9	0	0	0	105.3	T201 E205	T201-I203 PolarHBondContact O-N 2.8Å; I203-E205 PolarHBondContact O-N 2.81Å
204	T	28.2	Very low	34.8	Very low	116 Å²	116	124.5 Å²	124.5	71%	0.712	66%	0.66	S	S	*	*			trans	-62.4	121.9	166.2	44.3	0	0	0	0	108.4	D202 T206	D202-T204 PolarHBondContact O-N 2.96Å; T204-T206 PolarHBondContact O-N 3.22Å; T204-T206 VanDerWaalsContact O-N 3.09Å
205	E	27.6	Very low	36.8	Very low	193 Å²	193	119 Å²	119	90%	0.902	63%	0.626	S	S	*	*			trans	-51.6	114	171.8	-81.5	177.5	148.9	0	0	109.6	I203 E207	I203-E205 PolarHBondContact O-N 2.81Å; E205-E207 PolarHBondContact O-N 3.19Å
206	T	30.6	Very low	39.1	Very low	117 Å²	117	111.6 Å²	111.6	72%	0.718	60%	0.597	S	S	*	*			trans	-77.7	117.5	171.5	-42	0	0	0	0	107.8	T204 V208	T204-T206 PolarHBondContact O-N 3.22Å; T204-T206 VanDerWaalsContact O-N 3.09Å; T206-V208 PolarHBondContact O-N 3.21Å; T206-V208 VanDerWaalsContact O-N 3.12Å
207	E	31.4	Very low	41.6	Very low	182 Å²	182	106 Å²	106	85%	0.85	56%	0.562	S	S	*	*			trans	-60.3	113.5	168.8	-74.4	-175.5	157.7	0	0	108.8	E205 M209	E205-E207 PolarHBondContact O-N 3.19Å; E207-M209 PolarHBondContact O-N 2.9Å
208	V	33.5	Very low	44.2	Very low	101 Å²	101	99.8 Å²	99.8	61%	0.612	53%	0.531	S	S	*	.			trans	-76.5	109	177.6	-178.8	0	0	0	0	107.8	T206 A332	T206-V208 PolarHBondContact O-N 3.21Å; T206-V208 VanDerWaalsContact O-N 3.12Å; V208-A332 HydrophobicContact CG1-CB 3.52Å
209	M	39.9	Very low	46.7	Very low	147 Å²	147	92.4 Å²	92.4	72%	0.724	49%	0.494	S	S	*	.			trans	-79.5	119.5	171.6	-70.3	-158	-58.9	0	0	110.1	E207 T211	E207-M209 PolarHBondContact O-N 2.9Å; M209-T211 PolarHBondContact O-N 3.15Å
210	E	43.3	Very low	49.4	Very low	85 Å²	85	87.9 Å²	87.9	40%	0.397	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	117.6	169.8	-69.3	-178	177.1	0	0	109.6	R213 Y279	E210-R213 IonicContact OE2-NH1 2.81Å; E210-Y279 WeakPolarHBondContact O-CD2 3.45Å
211	T	52.5	Low	52.1	Low	44 Å²	44	78.8 Å²	78.8	27%	0.27	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	-29	-176.7	45.3	0	0	0	0	113.3	M209 Y279 T333	M209-T211 PolarHBondContact O-N 3.15Å; T211-Y279 WeakPolarHBondContact O-CD2 3.22Å; T211-Y279 PolarHBondContact O-N 3.12Å; T211-T333 PolarHBondContact OG1-OG1 3.34Å
212	E	53.5	Low	54.9	Low	91 Å²	91	73.6 Å²	73.6	43%	0.425	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	141.3	-179.8	-65	-176.1	169.4	0	0	111.3	I277 A331	E212-I277 WeakPolarHBondContact CA-O 3.33Å; E212-A331 PolarHBondContact O-N 3Å
213	R	60.7	Low	57.8	Low	30 Å²	30	70.8 Å²	70.8	11%	0.113	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	132.8	173	-173.1	169.7	-174.7	114	-0.4	110.7	E210 I277 Y279 V291 T327 D330	E210-R213 IonicContact OE2-NH1 2.81Å; R213-I277 PolarHBondContact N-O 3.21Å; R213-I277 VanDerWaalsContact N-O 3.1Å; R213-I277 PolarHBondContact O-N 2.99Å; R213-Y279 HydrophobicContact CB-CE2 3.71Å; R213-Y279 WeakPolarHBondContact CD-OH 3.41Å; R213-V291 PolarHBondContact NE-O 3.15Å; R213-T327 HydrophobicContact CG-CG2 4.16Å; R213-T327 PolarHBondContact NH2-OG1 3.25Å; R213-D330 WeakPolarHBondContact CG-OD1 3.38Å; R213-D330 IonicContact CZ-OD1 3.65Å; R213-D330 VanDerWaalsContact CZ-OD1 3.28Å; R213-D330 IonicContact CZ-OD2 2.69Å; R213-D330 IonicContact NE-OD1 3.59Å; R213-D330 IonicContact NH1-OD1 3.08Å; R213-D330 PolarHBondContact NH1-OD1 3.4Å; R213-D330 IonicContact NH1-OD2 3.3Å; R213-D330 PolarHBondContact NH1-OD2 2.96Å
214	T	63	Low	60.3	Low	21 Å²	21	67.6 Å²	67.6	13%	0.129	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	125.8	-179.4	-58.2	0	0	0	0	110.9	M274 L275 V276 V328 I329	T214-M274 HydrophobicContact CG2-CG 3.36Å; T214-M274 HydrophobicContact CG2-SD 3.47Å; T214-M274 WeakPolarHBondContact CG2-SD 3.22Å; T214-L275 CarbonylContact C-O 3.59Å; T214-L275 WeakPolarHBondContact CA-O 3.29Å; T214-V276 HydrophobicContact CG2-CG2 4.2Å; T214-V328 HydrophobicContact CG2-CB 4.35Å; T214-V328 PolarHBondContact O-N 2.92Å; T214-I329 PolarHBondContact N-O 2.83Å; T214-I329 VanDerWaalsContact N-O 3.09Å; T214-I329 PolarHBondContact O-N 3.44Å
215	T	66.3	Low	62.6	Low	1 Å²	1	66.9 Å²	66.9	1%	0.006	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	130.2	-177.8	-51.7	0	0	0	0	110.6	M274 L275 V296 I325 E326	T215-M274 CarbonylContact O-C 3.59Å; T215-M274 WeakPolarHBondContact O-CA 3.38Å; T215-L275 PolarHBondContact N-O 2.94Å; T215-L275 PolarHBondContact O-N 3.34Å; T215-V296 HydrophobicContact CG2-CG1 4.34Å; T215-I325 HydrophobicContact CG2-CG2 3.39Å; T215-E326 CarbonylContact C-O 3.53Å; T215-E326 WeakPolarHBondContact CA-O 3.39Å; T215-E326 WeakPolarHBondContact CG2-O 3.27Å
216	A	73.8	Confident	65.1	Low	32 Å²	32	64.5 Å²	64.5	26%	0.264	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	142.4	173.1	0	0	0	0	0	110.6	A273 I325 E326 V328	A216-A273 CarbonylContact C-O 3.54Å; A216-A273 WeakPolarHBondContact CA-O 3.17Å; A216-I325 VanDerWaalsContact O-CA 3.27Å; A216-I325 WeakPolarHBondContact O-CA 3.31Å; A216-E326 PolarHBondContact N-O 3.13Å; A216-E326 PolarHBondContact O-N 3.08Å; A216-V328 HydrophobicContact CB-CG2 3.66Å
217	V	77.9	Confident	67.7	Low	3 Å²	3	60.9 Å²	60.9	2%	0.018	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	128.7	176.8	-176.3	0	0	0	0	109.1	N272 A273 L275 F317 L323 T324 I325	V217-N272 WeakPolarHBondContact O-CA 3.32Å; V217-A273 PolarHBondContact N-O 3.41Å; V217-A273 PolarHBondContact O-N 3.22Å; V217-L275 HydrophobicContact CG2-CD1 3.53Å; V217-L275 HydrophobicContact CG2-CG 3.91Å; V217-F317 HydrophobicContact CG1-CD1 4.48Å; V217-F317 HydrophobicContact CG1-CD2 4.44Å; V217-F317 HydrophobicContact CG1-CE1 4.42Å; V217-F317 HydrophobicContact CG1-CE2 4.4Å; V217-F317 HydrophobicContact CG1-CG 4.48Å; V217-F317 HydrophobicContact CG1-CZ 4.39Å; V217-L323 HydrophobicContact CG1-CD1 3.69Å; V217-T324 WeakPolarHBondContact CA-O 3.38Å; V217-I325 HydrophobicContact CG1-CG1 4.21Å; V217-I325 HydrophobicContact CG2-CG1 4.14Å
218	S	77.9	Confident	70.2	Confident	25 Å²	25	52.8 Å²	52.8	18%	0.175	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	134	175.2	-174.4	0	0	0	0	112.6	I270 G271 N272 T324	S218-I270 WeakPolarHBondContact OG-CG2 3.46Å; S218-G271 WeakPolarHBondContact CA-O 3.39Å; S218-G271 PolarHBondContact OG-O 3.04Å; S218-N272 WeakPolarHBondContact CB-OD1 3.44Å; S218-N272 PolarHBondContact OG-OD1 2.89Å; S218-T324 WeakPolarHBondContact CB-OG1 3.01Å; S218-T324 PolarHBondContact N-O 3.3Å; S218-T324 PolarHBondContact O-N 3.27Å; S218-T324 PolarHBondContact O-OG1 3.07Å
219	S	81.6	Confident	72.6	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.021	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-162	166.6	172.4	-167.9	0	0	0	0	111.5	L221 I270 G271 G318 S321	S219-L221 PolarHBondContact O-N 3.27Å; S219-I270 WeakPolarHBondContact O-CA 3.44Å; S219-G271 PolarHBondContact N-O 2.98Å; S219-G271 PolarHBondContact O-N 3.47Å; S219-G318 PolarHBondContact OG-O 3.15Å; S219-S321 PolarHBondContact OG-OG 2.99Å
220	T	84.4	Confident	74.7	Confident	24 Å²	24	52.1 Å²	52.1	15%	0.147	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	128.9	166.4	-61.1	0	0	0	0	110.7	P227 S268 G318 S321	T220-P227 HydrophobicContact CG2-CB 4.07Å; T220-S268 VanDerWaalsContact CG2-CB 3.44Å; T220-S268 VanDerWaalsContact CG2-O 3.29Å; T220-S268 WeakPolarHBondContact CG2-O 3.45Å; T220-G318 WeakPolarHBondContact O-CA 3.3Å; T220-G318 PolarHBondContact O-N 3.34Å; T220-S321 WeakPolarHBondContact CB-OG 3.45Å
221	L	85	Confident	76.8	Confident	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	137.2	179.4	-61.9	-172.1	0	0	0	111.7	S219 L228 Y245 I249 F264 V269 I315 F317	S219-L221 PolarHBondContact O-N 3.27Å; L221-L228 HydrophobicContact CB-CD1 3.91Å; L221-L228 PolarHBondContact O-N 3.02Å; L221-Y245 HydrophobicContact CD1-CD1 4.31Å; L221-I249 HydrophobicContact CD1-CD1 4.49Å; L221-I249 HydrophobicContact CD1-CG2 3.99Å; L221-I249 HydrophobicContact CD2-CG2 3.79Å; L221-F264 HydrophobicContact CD1-CD1 3.81Å; L221-F264 HydrophobicContact CD1-CE1 3.57Å; L221-V269 HydrophobicContact CB-CB 4.48Å; L221-V269 HydrophobicContact CB-CG1 4.34Å; L221-V269 WeakPolarHBondContact CB-O 3.5Å; L221-V269 HydrophobicContact CD1-CG1 3.9Å; L221-V269 HydrophobicContact CG-CG1 4.31Å; L221-V269 PolarHBondContact N-O 2.84Å; L221-I315 HydrophobicContact CB-CG2 3.97Å; L221-I315 HydrophobicContact CD1-CG2 4.16Å; L221-I315 HydrophobicContact CG-CG2 4.48Å; L221-F317 HydrophobicContact CD2-CD1 3.69Å; L221-F317 HydrophobicContact CD2-CE1 3.93Å; L221-F317 HydrophobicContact CD2-CG 4.29Å
222	T	85.7	Confident	78.2	Confident	11 Å²	11	53.8 Å²	53.8	7%	0.067	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	142.1	-170.9	-57.4	0	0	0	0	109.7	N225 K226 I315 Y316	T222-N225 VanDerWaalsContact CG2-C 3.43Å; T222-K226 WeakPolarHBondContact CA-O 3.3Å; T222-K226 WeakPolarHBondContact CG2-O 3.38Å; T222-I315 WeakPolarHBondContact O-CA 3.48Å; T222-Y316 HydrophobicContact CG2-CE2 3.95Å; T222-Y316 PolarHBondContact N-O 2.73Å; T222-Y316 PolarHBondContact O-N 3.5Å
223	R	86.6	Confident	79.8	Confident	98 Å²	98	51.8 Å²	51.8	37%	0.37	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	127.7	169.7	-177.3	171.7	61.2	-173.8	-2.7	108.8	N225 K226 L228 D313 I315	R223-N225 PolarHBondContact O-N 2.75Å; R223-K226 PolarHBondContact N-O 2.99Å; R223-K226 PolarHBondContact O-N 3.49Å; R223-L228 HydrophobicContact CB-CD2 3.84Å; R223-D313 VanDerWaalsContact CD-O 3.29Å; R223-D313 WeakPolarHBondContact CD-O 3.45Å; R223-D313 VanDerWaalsContact CD-OD1 3.26Å; R223-D313 WeakPolarHBondContact CD-OD1 3.38Å; R223-D313 WeakPolarHBondContact CG-O 3.12Å; R223-D313 VanDerWaalsContact CG-OD1 3.24Å; R223-D313 WeakPolarHBondContact CG-OD1 3.45Å; R223-D313 IonicContact NE-OD1 3.98Å; R223-I315 HydrophobicContact CB-CG1 4.31Å
224	L	82	Confident	80.8	Confident	95 Å²	95	50.5 Å²	50.5	50%	0.497	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.6	43.9	-174.6	-60.2	173	0	0	0	113.1	K226 S312 D313	L224-K226 PolarHBondContact O-N 2.93Å; L224-S312 WeakPolarHBondContact CD2-O 3.46Å; L224-D313 VanDerWaalsContact CD1-OD1 3.26Å; L224-D313 WeakPolarHBondContact CD1-OD1 3.47Å; L224-D313 HydrophobicContact CD2-CB 4.44Å; L224-D313 WeakPolarHBondContact CG-OD1 3.46Å
225	N	77.2	Confident	81.5	Confident	101 Å²	101	54.4 Å²	54.4	54%	0.54	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	59.9	20.4	-176.7	-67.8	-40	0	0	0	114.9	T222 R223 Y316	T222-N225 VanDerWaalsContact CG2-C 3.43Å; R223-N225 PolarHBondContact O-N 2.75Å; N225-Y316 PolarHBondContact N-OH 3.43Å; N225-Y316 PolarHBondContact OD1-OH 3.09Å
226	K	81.4	Confident	82.1	Confident	144 Å²	144	57.1 Å²	57.1	63%	0.626	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.9	128.8	171.6	-67.5	-174	177.4	-176.2	0	110.9	T222 R223 L224	T222-K226 WeakPolarHBondContact CA-O 3.3Å; T222-K226 WeakPolarHBondContact CG2-O 3.38Å; R223-K226 PolarHBondContact N-O 2.99Å; R223-K226 PolarHBondContact O-N 3.49Å; L224-K226 PolarHBondContact O-N 2.93Å
227	P	83.4	Confident	82.3	Confident	40 Å²	40	58.1 Å²	58.1	26%	0.26	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.2	143.6	173	-20	30.6	0	0	0	110.8	T220 P422	T220-P227 HydrophobicContact CG2-CB 4.07Å; P227-P422 HydrophobicContact CG-CG 4.29Å
228	L	84.6	Confident	82.5	Confident	12 Å²	12	61.1 Å²	61.1	6%	0.063	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-79.2	143.2	179.3	-66	172.3	0	0	0	110.9	L221 R223 Y245 S268 V269 I315	L221-L228 HydrophobicContact CB-CD1 3.91Å; L221-L228 PolarHBondContact O-N 3.02Å; R223-L228 HydrophobicContact CB-CD2 3.84Å; L228-Y245 HydrophobicContact CB-CE1 4.46Å; L228-Y245 HydrophobicContact CD1-CD1 4.18Å; L228-Y245 HydrophobicContact CD1-CE1 3.46Å; L228-Y245 VanDerWaalsContact CD1-CE1 3.46Å; L228-Y245 HydrophobicContact CG-CE1 4.49Å; L228-S268 CarbonylContact O-C 3.14Å; L228-S268 WeakPolarHBondContact O-CA 3.07Å; L228-V269 HydrophobicContact CB-CB 4.11Å; L228-V269 HydrophobicContact CB-CG2 3.9Å; L228-I315 HydrophobicContact CD1-CB 4.39Å; L228-I315 HydrophobicContact CD1-CD1 3.88Å; L228-I315 HydrophobicContact CD1-CG1 3.89Å; L228-I315 HydrophobicContact CD1-CG2 3.6Å
229	E	84.5	Confident	82.7	Confident	177 Å²	177	60.8 Å²	60.8	83%	0.827	31%	0.312	S	S	*	.	P	Polyproline II helix	trans	-80.9	139	172.4	-72	-170.9	172.1	0	0	110.6	N231	E229-N231 PolarHBondContact O-N 2.68Å
230	W	84.5	Confident	83	Confident	57 Å²	57	66.2 Å²	66.2	22%	0.216	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-61.4	134.4	178.9	-179.1	-97.4	0	0	0	112.5	D232 L234 L235 F264 S265 R266 V269	W230-D232 PolarHBondContact NE1-OD1 3.19Å; W230-L234 HydrophobicContact CE3-CD1 4.15Å; W230-L234 HydrophobicContact CH2-CB 3.98Å; W230-L234 HydrophobicContact CZ2-CB 4.4Å; W230-L234 HydrophobicContact CZ3-CB 4.13Å; W230-L234 HydrophobicContact CZ3-CD1 4.15Å; W230-L235 HydrophobicContact CH2-CD2 3.97Å; W230-L235 HydrophobicContact CH2-CG 4.37Å; W230-L235 HydrophobicContact CZ2-CD1 4.36Å; W230-L235 HydrophobicContact CZ2-CD2 3.64Å; W230-L235 HydrophobicContact CZ2-CG 3.69Å; W230-F264 HydrophobicContact CH2-CB 4.32Å; W230-F264 HydrophobicContact CZ3-CB 3.98Å; W230-S265 VanDerWaalsContact CZ3-O 3.25Å; W230-S265 WeakPolarHBondContact CZ3-O 3.41Å; W230-R266 HydrophobicContact CD2-CB 4.44Å; W230-R266 HydrophobicContact CD2-CG 3.73Å; W230-R266 HydrophobicContact CE3-CG 4.23Å; W230-R266 HydrophobicContact CG-CG 4.23Å; W230-R266 HydrophobicContact CH2-CG 3.98Å; W230-R266 HydrophobicContact CZ2-CG 3.43Å; W230-R266 VanDerWaalsContact CZ2-CG 3.43Å; W230-R266 HydrophobicContact CZ3-CG 4.35Å; W230-V269 HydrophobicContact CE3-CG2 4.12Å
231	N	85.5	Confident	83.1	Confident	72 Å²	72	67.1 Å²	67.1	39%	0.385	34%	0.344	S	S	.	.			trans	-126.1	129	169.6	-173.6	-41.2	0	0	0	108.9	E229 S233 L234 L241	E229-N231 PolarHBondContact O-N 2.68Å; N231-S233 PolarHBondContact O-N 3.23Å; N231-S233 VanDerWaalsContact OD1-CB 3.31Å; N231-S233 WeakPolarHBondContact OD1-CB 3.35Å; N231-S233 PolarHBondContact OD1-N 2.88Å; N231-S233 PolarHBondContact OD1-OG 3.02Å; N231-L234 VanDerWaalsContact O-CB 3.3Å; N231-L234 WeakPolarHBondContact O-CB 3.11Å; N231-L234 WeakPolarHBondContact O-CG 3.24Å; N231-L234 PolarHBondContact O-N 2.85Å; N231-L241 HydrophobicContact CB-CD2 3.52Å
232	D	82.9	Confident	83.3	Confident	92 Å²	92	68.5 Å²	68.5	49%	0.492	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-60.6	-16.8	-178.4	-74.5	-23.5	0	0	0	113.8	W230 L234 L235 R266	W230-D232 PolarHBondContact NE1-OD1 3.19Å; D232-L234 PolarHBondContact O-N 3.13Å; D232-L235 WeakPolarHBondContact O-CB 3.49Å; D232-L235 PolarHBondContact O-N 3.18Å; D232-R266 IonicContact OD1-CZ 3.99Å; D232-R266 IonicContact OD1-NE 2.86Å; D232-R266 IonicContact OD1-NH2 3.29Å; D232-R266 PolarHBondContact OD1-NH2 3.1Å; D232-R266 IonicContact OD2-NH2 4Å
233	S	86.6	Confident	83.2	Confident	50 Å²	50	74.3 Å²	74.3	35%	0.35	37%	0.37	S	S	.	.	G	3₁₀ helix	trans	-60.9	-25.2	171.1	-48.1	0	0	0	0	112.2	N231 L235 D236 S239	N231-S233 PolarHBondContact O-N 3.23Å; N231-S233 VanDerWaalsContact OD1-CB 3.31Å; N231-S233 WeakPolarHBondContact OD1-CB 3.35Å; N231-S233 PolarHBondContact OD1-N 2.88Å; N231-S233 PolarHBondContact OD1-OG 3.02Å; S233-L235 PolarHBondContact O-N 2.83Å; S233-D236 PolarHBondContact O-N 3.16Å; S233-S239 WeakPolarHBondContact O-CB 3.45Å; S233-S239 PolarHBondContact O-OG 2.84Å
234	L	81.9	Confident	83.3	Confident	2 Å²	2	73.1 Å²	73.1	1%	0.01	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-69.6	-8.7	174.9	-63.3	172.9	0	0	0	113.6	W230 N231 D232 D236 L241 Y242 Y245 F264 V269	W230-L234 HydrophobicContact CE3-CD1 4.15Å; W230-L234 HydrophobicContact CH2-CB 3.98Å; W230-L234 HydrophobicContact CZ2-CB 4.4Å; W230-L234 HydrophobicContact CZ3-CB 4.13Å; W230-L234 HydrophobicContact CZ3-CD1 4.15Å; N231-L234 VanDerWaalsContact O-CB 3.3Å; N231-L234 WeakPolarHBondContact O-CB 3.11Å; N231-L234 WeakPolarHBondContact O-CG 3.24Å; N231-L234 PolarHBondContact O-N 2.85Å; D232-L234 PolarHBondContact O-N 3.13Å; L234-D236 VanDerWaalsContact C-N 3.33Å; L234-L241 HydrophobicContact CD2-CD2 4.07Å; L234-L241 HydrophobicContact CD2-CG 3.95Å; L234-L241 HydrophobicContact CG-CD2 4.02Å; L234-L241 HydrophobicContact CG-CG 4.45Å; L234-Y242 VanDerWaalsContact O-CD2 3.31Å; L234-Y242 WeakPolarHBondContact O-CD2 3.43Å; L234-Y245 HydrophobicContact CD1-CD1 4.17Å; L234-Y245 HydrophobicContact CD1-CE1 3.99Å; L234-Y245 HydrophobicContact CD2-CD1 3.67Å; L234-Y245 HydrophobicContact CD2-CE1 4.11Å; L234-Y245 HydrophobicContact CD2-CG 3.95Å; L234-F264 HydrophobicContact CB-CB 4.2Å; L234-F264 HydrophobicContact CB-CD2 4.2Å; L234-F264 HydrophobicContact CB-CG 4.39Å; L234-F264 HydrophobicContact CD2-CD2 4.01Å; L234-F264 HydrophobicContact CD2-CE2 4.2Å; L234-F264 HydrophobicContact CD2-CG 4.36Å; L234-V269 HydrophobicContact CD1-CB 4.4Å; L234-V269 HydrophobicContact CD1-CG1 3.66Å; L234-V269 HydrophobicContact CD1-CG2 3.75Å
235	L	77.3	Confident	83.7	Confident	103 Å²	103	69.3 Å²	69.3	54%	0.539	35%	0.351	S	S	.	.	G	3₁₀ helix	trans	-80.6	-17.1	169.1	-63.5	172.3	0	0	0	112.6	W230 D232 S233 P237	W230-L235 HydrophobicContact CH2-CD2 3.97Å; W230-L235 HydrophobicContact CH2-CG 4.37Å; W230-L235 HydrophobicContact CZ2-CD1 4.36Å; W230-L235 HydrophobicContact CZ2-CD2 3.64Å; W230-L235 HydrophobicContact CZ2-CG 3.69Å; D232-L235 WeakPolarHBondContact O-CB 3.49Å; D232-L235 PolarHBondContact O-N 3.18Å; S233-L235 PolarHBondContact O-N 2.83Å; L235-P237 WeakPolarHBondContact O-CD 3.39Å
236	D	79.6	Confident	84.1	Confident	58 Å²	58	65.3 Å²	65.3	31%	0.31	33%	0.331	S	S	.	.	S	Bend	trans	-103.8	108.9	178.4	178.5	9.8	0	0	0	109.7	S233 L234 N238 S239 Y242	S233-D236 PolarHBondContact O-N 3.16Å; L234-D236 VanDerWaalsContact C-N 3.33Å; D236-N238 PolarHBondContact O-N 2.84Å; D236-N238 WeakPolarHBondContact OD1-CB 3.42Å; D236-N238 PolarHBondContact OD1-N 2.96Å; D236-N238 PolarHBondContact OD1-ND2 3.21Å; D236-S239 WeakPolarHBondContact O-CB 3.47Å; D236-S239 PolarHBondContact O-N 3.47Å; D236-S239 PolarHBondContact O-OG 2.73Å; D236-S239 VanDerWaalsContact O-OG 3.13Å; D236-Y242 WeakPolarHBondContact O-CB 3.44Å
237	P	77.7	Confident	84.2	Confident	53 Å²	53	62.8 Å²	62.8	34%	0.344	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.1	-19.9	177.3	-26.5	35.3	0	0	0	114.8	L235 Y242	L235-P237 WeakPolarHBondContact O-CD 3.39Å; P237-Y242 VanDerWaalsContact CA-CG 3.48Å; P237-Y242 HydrophobicContact CB-CD1 4.27Å; P237-Y242 HydrophobicContact CB-CE1 4.08Å; P237-Y242 HydrophobicContact CB-CE2 4.36Å; P237-Y242 HydrophobicContact CG-CE2 4.34Å; P237-Y242 WeakPolarHBondContact O-CD1 3.28Å
238	N	82.3	Confident	84.4	Confident	67 Å²	67	62.5 Å²	62.5	36%	0.358	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-9.8	-179	-52.1	-70.8	0	0	0	113.8	P44 D236	P44-N238 WeakPolarHBondContact CD-OD1 3.29Å; P44-N238 VanDerWaalsContact CG-CG 3.49Å; P44-N238 WeakPolarHBondContact CG-ND2 3.4Å; P44-N238 WeakPolarHBondContact CG-OD1 3.36Å; D236-N238 PolarHBondContact O-N 2.84Å; D236-N238 WeakPolarHBondContact OD1-CB 3.42Å; D236-N238 PolarHBondContact OD1-N 2.96Å; D236-N238 PolarHBondContact OD1-ND2 3.21Å
239	S	83	Confident	84.4	Confident	18 Å²	18	62 Å²	62	13%	0.126	32%	0.32	C	S	.	.	S	Bend	trans	-62.7	143.7	179.4	77.7	0	0	0	0	109.5	S233 D236 L241 Y242 R243	S233-S239 WeakPolarHBondContact O-CB 3.45Å; S233-S239 PolarHBondContact O-OG 2.84Å; D236-S239 WeakPolarHBondContact O-CB 3.47Å; D236-S239 PolarHBondContact O-N 3.47Å; D236-S239 PolarHBondContact O-OG 2.73Å; D236-S239 VanDerWaalsContact O-OG 3.13Å; S239-L241 PolarHBondContact O-N 2.72Å; S239-L241 VanDerWaalsContact O-N 3.12Å; S239-Y242 PolarHBondContact O-N 3.35Å; S239-Y242 VanDerWaalsContact O-N 3.11Å; S239-Y242 VanDerWaalsContact OG-CB 3.31Å; S239-Y242 WeakPolarHBondContact OG-CB 3.48Å; S239-Y242 PolarHBondContact OG-N 3.09Å; S239-R243 PolarHBondContact O-N 3.44Å
240	D	87.4	Confident	84.3	Confident	116 Å²	116	55.1 Å²	55.1	62%	0.62	29%	0.291	S	S	*	.	H	α-helix	trans	-56.8	-31	175.8	-68.5	-34.7	0	0	0	110.8	R243 D244	D240-R243 IonicContact OD1-CZ 4Å; D240-R243 IonicContact OD1-NH1 2.93Å; D240-R243 PolarHBondContact OD1-NH1 3.4Å; D240-R243 IonicContact OD1-NH2 3.86Å; D240-R243 PolarHBondContact OD1-NH2 2.88Å; D240-D244 WeakPolarHBondContact O-CB 3.32Å; D240-D244 PolarHBondContact O-N 3.35Å
241	L	85.7	Confident	83.9	Confident	44 Å²	44	56.5 Å²	56.5	23%	0.23	30%	0.302	C	S	.	.	H	α-helix	trans	-69.2	-45.1	176.8	-167.8	70	0	0	0	112.7	N231 L234 S239 D244 Y245	N231-L241 HydrophobicContact CB-CD2 3.52Å; L234-L241 HydrophobicContact CD2-CD2 4.07Å; L234-L241 HydrophobicContact CD2-CG 3.95Å; L234-L241 HydrophobicContact CG-CD2 4.02Å; L234-L241 HydrophobicContact CG-CG 4.45Å; S239-L241 PolarHBondContact O-N 2.72Å; S239-L241 VanDerWaalsContact O-N 3.12Å; L241-D244 PolarHBondContact O-N 3.26Å; L241-Y245 HydrophobicContact CD1-CD2 3.96Å; L241-Y245 HydrophobicContact CD1-CE2 3.43Å; L241-Y245 VanDerWaalsContact CD1-CE2 3.43Å; L241-Y245 HydrophobicContact CG-CD2 4.21Å; L241-Y245 HydrophobicContact CG-CE2 4Å; L241-Y245 WeakPolarHBondContact O-CB 3.29Å; L241-Y245 VanDerWaalsContact O-CD2 3.31Å; L241-Y245 WeakPolarHBondContact O-CD2 3.2Å; L241-Y245 PolarHBondContact O-N 2.95Å
242	Y	88.6	Confident	82.8	Confident	28 Å²	28	53.7 Å²	53.7	11%	0.11	29%	0.287	C	S	.	.	H	α-helix	trans	-61.5	-46.3	176.7	-175.6	-74.2	0	0	0	110.6	L234 D236 P237 S239 Y245 S246 F264	L234-Y242 VanDerWaalsContact O-CD2 3.31Å; L234-Y242 WeakPolarHBondContact O-CD2 3.43Å; D236-Y242 WeakPolarHBondContact O-CB 3.44Å; P237-Y242 VanDerWaalsContact CA-CG 3.48Å; P237-Y242 HydrophobicContact CB-CD1 4.27Å; P237-Y242 HydrophobicContact CB-CE1 4.08Å; P237-Y242 HydrophobicContact CB-CE2 4.36Å; P237-Y242 HydrophobicContact CG-CE2 4.34Å; P237-Y242 WeakPolarHBondContact O-CD1 3.28Å; S239-Y242 PolarHBondContact O-N 3.35Å; S239-Y242 VanDerWaalsContact O-N 3.11Å; S239-Y242 VanDerWaalsContact OG-CB 3.31Å; S239-Y242 WeakPolarHBondContact OG-CB 3.48Å; S239-Y242 PolarHBondContact OG-N 3.09Å; Y242-Y245 PolarHBondContact O-N 3.32Å; Y242-S246 WeakPolarHBondContact CD1-OG 3.43Å; Y242-S246 VanDerWaalsContact CE1-OG 3.23Å; Y242-S246 WeakPolarHBondContact CE1-OG 3.42Å; Y242-S246 VanDerWaalsContact O-CB 3.25Å; Y242-S246 WeakPolarHBondContact O-CB 3.26Å; Y242-S246 PolarHBondContact O-N 3.31Å; Y242-S246 PolarHBondContact O-OG 3.26Å; Y242-F264 HydrophobicContact CD1-CE2 4.08Å; Y242-F264 AromaticContact CD2-CD2 3.43Å; Y242-F264 HydrophobicContact CD2-CD2 3.43Å; Y242-F264 VanDerWaalsContact CD2-CD2 3.43Å; Y242-F264 AromaticContact CD2-CE2 3.4Å; Y242-F264 HydrophobicContact CD2-CE2 3.4Å; Y242-F264 VanDerWaalsContact CD2-CE2 3.4Å; Y242-F264 HydrophobicContact CE1-CE2 4.11Å; Y242-F264 AromaticContact CE2-CD2 3.41Å; Y242-F264 HydrophobicContact CE2-CD2 3.41Å; Y242-F264 VanDerWaalsContact CE2-CD2 3.41Å; Y242-F264 AromaticContact CE2-CE2 3.47Å; Y242-F264 HydrophobicContact CE2-CE2 3.47Å; Y242-F264 VanDerWaalsContact CE2-CE2 3.47Å; Y242-F264 HydrophobicContact CG-CD2 4.2Å; Y242-F264 AromaticContact CG-CE2 3.71Å; Y242-F264 HydrophobicContact CG-CE2 3.71Å; Y242-F264 AromaticContact CZ-CE2 3.82Å
243	R	84.8	Confident	81.5	Confident	134 Å²	134	52.3 Å²	52.3	51%	0.506	30%	0.295	S	S	.	.	H	α-helix	trans	-64.6	-42.4	179.2	-171.1	174.8	66	-115.8	-6	111.7	S239 D240 S246 T247	S239-R243 PolarHBondContact O-N 3.44Å; D240-R243 IonicContact OD1-CZ 4Å; D240-R243 IonicContact OD1-NH1 2.93Å; D240-R243 PolarHBondContact OD1-NH1 3.4Å; D240-R243 IonicContact OD1-NH2 3.86Å; D240-R243 PolarHBondContact OD1-NH2 2.88Å; R243-S246 PolarHBondContact O-N 3.3Å; R243-T247 WeakPolarHBondContact O-CB 3.04Å; R243-T247 PolarHBondContact O-N 3.1Å; R243-T247 PolarHBondContact O-OG1 3.29Å
244	D	88.9	Confident	80.3	Confident	73 Å²	73	52.7 Å²	52.7	39%	0.39	29%	0.292	S	S	.	.	H	α-helix	trans	-60	-50.9	175.7	-179.3	44.4	0	0	0	111.3	D240 L241 S246 T247 Q248	D240-D244 WeakPolarHBondContact O-CB 3.32Å; D240-D244 PolarHBondContact O-N 3.35Å; L241-D244 PolarHBondContact O-N 3.26Å; D244-S246 PolarHBondContact O-N 2.98Å; D244-T247 PolarHBondContact O-N 3.46Å; D244-Q248 WeakPolarHBondContact O-CG 3.49Å; D244-Q248 PolarHBondContact O-N 3.1Å; D244-Q248 PolarHBondContact OD1-NE2 3.2Å; D244-Q248 PolarHBondContact OD2-NE2 3.47Å; D244-Q248 VanDerWaalsContact OD2-NE2 3.13Å
245	Y	89.4	Confident	79	Confident	15 Å²	15	59.4 Å²	59.4	6%	0.059	33%	0.327	C	S	.	.	H	α-helix	trans	-63	-44	179.5	-81.6	-144.7	0	0	0	111.2	L221 L228 L234 L241 Y242 T247 Q248 I249 F264 V269 I315	L221-Y245 HydrophobicContact CD1-CD1 4.31Å; L228-Y245 HydrophobicContact CB-CE1 4.46Å; L228-Y245 HydrophobicContact CD1-CD1 4.18Å; L228-Y245 HydrophobicContact CD1-CE1 3.46Å; L228-Y245 VanDerWaalsContact CD1-CE1 3.46Å; L228-Y245 HydrophobicContact CG-CE1 4.49Å; L234-Y245 HydrophobicContact CD1-CD1 4.17Å; L234-Y245 HydrophobicContact CD1-CE1 3.99Å; L234-Y245 HydrophobicContact CD2-CD1 3.67Å; L234-Y245 HydrophobicContact CD2-CE1 4.11Å; L234-Y245 HydrophobicContact CD2-CG 3.95Å; L241-Y245 HydrophobicContact CD1-CD2 3.96Å; L241-Y245 HydrophobicContact CD1-CE2 3.43Å; L241-Y245 VanDerWaalsContact CD1-CE2 3.43Å; L241-Y245 HydrophobicContact CG-CD2 4.21Å; L241-Y245 HydrophobicContact CG-CE2 4Å; L241-Y245 WeakPolarHBondContact O-CB 3.29Å; L241-Y245 VanDerWaalsContact O-CD2 3.31Å; L241-Y245 WeakPolarHBondContact O-CD2 3.2Å; L241-Y245 PolarHBondContact O-N 2.95Å; Y242-Y245 PolarHBondContact O-N 3.32Å; Y245-T247 VanDerWaalsContact C-N 3.33Å; Y245-T247 PolarHBondContact O-N 3.46Å; Y245-Q248 PolarHBondContact O-N 2.91Å; Y245-I249 WeakPolarHBondContact O-CG1 3.32Å; Y245-I249 PolarHBondContact O-N 3.18Å; Y245-F264 HydrophobicContact CD1-CE1 4.41Å; Y245-V269 HydrophobicContact CD1-CG1 4.28Å; Y245-V269 HydrophobicContact CE1-CG1 4.22Å; Y245-I315 HydrophobicContact CD1-CD1 4.12Å; Y245-I315 HydrophobicContact CD2-CD1 3.32Å; Y245-I315 HydrophobicContact CE1-CD1 4.16Å; Y245-I315 HydrophobicContact CE2-CD1 3.34Å; Y245-I315 HydrophobicContact CG-CD1 3.72Å
246	S	86.2	Confident	78.3	Confident	17 Å²	17	57.4 Å²	57.4	12%	0.119	32%	0.317	C	S	.	.	H	α-helix	trans	-63.5	-41.2	-179.3	-58.1	0	0	0	0	112.1	Y242 R243 D244 I249 C250 F264	Y242-S246 WeakPolarHBondContact CD1-OG 3.43Å; Y242-S246 VanDerWaalsContact CE1-OG 3.23Å; Y242-S246 WeakPolarHBondContact CE1-OG 3.42Å; Y242-S246 VanDerWaalsContact O-CB 3.25Å; Y242-S246 WeakPolarHBondContact O-CB 3.26Å; Y242-S246 PolarHBondContact O-N 3.31Å; Y242-S246 PolarHBondContact O-OG 3.26Å; R243-S246 PolarHBondContact O-N 3.3Å; D244-S246 PolarHBondContact O-N 2.98Å; S246-I249 WeakPolarHBondContact O-CG1 3.48Å; S246-C250 WeakPolarHBondContact O-CB 3.45Å; S246-C250 PolarHBondContact O-N 3.41Å; S246-F264 WeakPolarHBondContact OG-CZ 3.16Å
247	T	84.4	Confident	77.6	Confident	90 Å²	90	56.2 Å²	56.2	55%	0.552	31%	0.311	S	S	*	.	H	α-helix	trans	-64.6	-44.6	177	-53.9	0	0	0	0	110.5	R243 D244 Y245 D251	R243-T247 WeakPolarHBondContact O-CB 3.04Å; R243-T247 PolarHBondContact O-N 3.1Å; R243-T247 PolarHBondContact O-OG1 3.29Å; D244-T247 PolarHBondContact O-N 3.46Å; Y245-T247 VanDerWaalsContact C-N 3.33Å; Y245-T247 PolarHBondContact O-N 3.46Å; T247-D251 WeakPolarHBondContact O-CB 3.42Å; T247-D251 PolarHBondContact O-N 3.09Å; T247-D251 VanDerWaalsContact O-N 3.09Å
248	Q	87	Confident	77.6	Confident	35 Å²	35	58 Å²	58	16%	0.164	32%	0.321	C	S	.	.	H	α-helix	trans	-66.3	-39.8	-178	-71.9	-177.4	58.9	0	0	113.1	D244 Y245 I315	D244-Q248 WeakPolarHBondContact O-CG 3.49Å; D244-Q248 PolarHBondContact O-N 3.1Å; D244-Q248 PolarHBondContact OD1-NE2 3.2Å; D244-Q248 PolarHBondContact OD2-NE2 3.47Å; D244-Q248 VanDerWaalsContact OD2-NE2 3.13Å; Y245-Q248 PolarHBondContact O-N 2.91Å; Q248-I315 HydrophobicContact CB-CB 4.04Å
249	I	84	Confident	77.5	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-77.6	-25.4	-179.5	67.4	178.8	0	0	0	113.7	L221 Y245 S246 L252 V261 F264 I315 F317	L221-I249 HydrophobicContact CD1-CD1 4.49Å; L221-I249 HydrophobicContact CD1-CG2 3.99Å; L221-I249 HydrophobicContact CD2-CG2 3.79Å; Y245-I249 WeakPolarHBondContact O-CG1 3.32Å; Y245-I249 PolarHBondContact O-N 3.18Å; S246-I249 WeakPolarHBondContact O-CG1 3.48Å; I249-L252 WeakPolarHBondContact O-CG 3.4Å; I249-V261 HydrophobicContact CD1-CG1 4.19Å; I249-V261 HydrophobicContact CD1-CG2 3.68Å; I249-V261 HydrophobicContact CG1-CG2 3.84Å; I249-F264 HydrophobicContact CD1-CE1 4.03Å; I249-F264 HydrophobicContact CD1-CZ 4.4Å; I249-I315 HydrophobicContact CG2-CB 4.45Å; I249-I315 HydrophobicContact CG2-CG2 3.79Å; I249-F317 HydrophobicContact CB-CE2 4.09Å; I249-F317 HydrophobicContact CB-CZ 4.22Å; I249-F317 HydrophobicContact CD1-CE1 4.49Å; I249-F317 HydrophobicContact CD1-CZ 4Å; I249-F317 HydrophobicContact CG1-CZ 4.43Å
250	C	82.4	Confident	77.4	Confident	33 Å²	33	59 Å²	59	22%	0.223	33%	0.33	C	S	.	.	H	α-helix	trans	-93.9	-1.8	177.3	-81.8	0	0	0	0	113.9	S246 L252 C259 V261	S246-C250 WeakPolarHBondContact O-CB 3.45Å; S246-C250 PolarHBondContact O-N 3.41Å; C250-L252 PolarHBondContact O-N 3.38Å; C250-C259 WeakPolarHBondContact CA-SG 3.04Å; C250-C259 HydrophobicContact CB-CB 3.53Å; C250-C259 WeakPolarHBondContact CB-SG 3.27Å; C250-C259 WeakPolarHBondContact SG-CB 3.19Å; C250-C259 PolarHBondContact SG-O 3.06Å; C250-C259 CovalentContact SG-SG 2.05Å; C250-C259 PolarHBondContact SG-SG 2.81Å; C250-V261 WeakPolarHBondContact SG-CG2 3.32Å
251	D	76.7	Confident	77.3	Confident	85 Å²	85	54.6 Å²	54.6	46%	0.455	31%	0.307	S	S	.	.			trans	-77.4	58.4	169.4	-166.3	23.1	0	0	0	109.9	T247 G253 Y303 Q314	T247-D251 WeakPolarHBondContact O-CB 3.42Å; T247-D251 PolarHBondContact O-N 3.09Å; T247-D251 VanDerWaalsContact O-N 3.09Å; D251-G253 VanDerWaalsContact C-N 3.32Å; D251-G253 PolarHBondContact O-N 3.07Å; D251-Y303 WeakPolarHBondContact O-CE1 3.46Å; D251-Y303 PolarHBondContact O-OH 2.89Å; D251-Q314 PolarHBondContact OD2-NE2 3.04Å
252	L	61	Low	77	Confident	14 Å²	14	57 Å²	57	7%	0.073	32%	0.324	C	S	.	.			trans	-81.1	-6.5	-171.4	-72.5	171.8	0	0	0	113.7	I249 C250 I254 L275 Y303	I249-L252 WeakPolarHBondContact O-CG 3.4Å; C250-L252 PolarHBondContact O-N 3.38Å; L252-I254 HydrophobicContact CB-CD1 4.2Å; L252-I254 HydrophobicContact CB-CG1 4.06Å; L252-I254 VanDerWaalsContact O-CG1 3.31Å; L252-I254 WeakPolarHBondContact O-CG1 3.49Å; L252-I254 PolarHBondContact O-N 2.81Å; L252-L275 HydrophobicContact CD1-CD2 3.7Å; L252-Y303 VanDerWaalsContact C-CZ 3.41Å; L252-Y303 VanDerWaalsContact CA-CE1 3.44Å; L252-Y303 HydrophobicContact CB-CE1 4.39Å; L252-Y303 HydrophobicContact CD2-CD1 3.81Å; L252-Y303 HydrophobicContact CD2-CE1 3.99Å; L252-Y303 WeakPolarHBondContact O-CD1 3.48Å; L252-Y303 WeakPolarHBondContact O-CD2 3.29Å; L252-Y303 WeakPolarHBondContact O-CE1 3.47Å; L252-Y303 VanDerWaalsContact O-CE2 3.3Å; L252-Y303 WeakPolarHBondContact O-CE2 3.36Å; L252-Y303 VanDerWaalsContact O-CZ 3.25Å
253	G	57.3	Low	76.6	Confident	63 Å²	63	56.3 Å²	56.3	65%	0.649	33%	0.325	S	S	*	.			trans	61.3	2.2	179.6	0	0	0	0	0	115.5	D251	D251-G253 VanDerWaalsContact C-N 3.32Å; D251-G253 PolarHBondContact O-N 3.07Å
254	I	60	Low	76.5	Confident	57 Å²	57	50.7 Å²	50.7	29%	0.292	30%	0.304	S	S	.	.			trans	-80.8	123.8	-178.8	-47.8	177.2	0	0	0	108.8	L252 V257	L252-I254 HydrophobicContact CB-CD1 4.2Å; L252-I254 HydrophobicContact CB-CG1 4.06Å; L252-I254 VanDerWaalsContact O-CG1 3.31Å; L252-I254 WeakPolarHBondContact O-CG1 3.49Å; L252-I254 PolarHBondContact O-N 2.81Å; I254-V257 HydrophobicContact CB-CB 4.16Å; I254-V257 HydrophobicContact CB-CG2 3.96Å; I254-V257 HydrophobicContact CG2-CB 4.23Å; I254-V257 HydrophobicContact CG2-CG2 3.48Å; I254-V257 VanDerWaalsContact CG2-CG2 3.48Å
255	I	54.7	Low	75.9	Confident	144 Å²	144	49.7 Å²	49.7	74%	0.738	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.2	140.2	176.8	-58.4	172.3	0	0	0	109	V257	I255-V257 VanDerWaalsContact C-N 3.25Å; I255-V257 PolarHBondContact O-N 3.37Å
256	N	62.3	Low	74.8	Confident	61 Å²	61	56.7 Å²	56.7	33%	0.326	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	21.3	178	-59.9	-11.4	0	0	0	116.1	D278 S281	N256-D278 PolarHBondContact O-N 2.99Å; N256-D278 VanDerWaalsContact O-N 3.07Å; N256-S281 VanDerWaalsContact CG-OG 3.24Å; N256-S281 PolarHBondContact ND2-OG 3.12Å; N256-S281 PolarHBondContact OD1-OG 2.92Å
257	V	66.8	Low	73.8	Confident	33 Å²	33	58 Å²	58	20%	0.2	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	119.3	173.2	-178	0	0	0	0	109.9	I254 I255 L275 V276 I277	I254-V257 HydrophobicContact CB-CB 4.16Å; I254-V257 HydrophobicContact CB-CG2 3.96Å; I254-V257 HydrophobicContact CG2-CB 4.23Å; I254-V257 HydrophobicContact CG2-CG2 3.48Å; I254-V257 VanDerWaalsContact CG2-CG2 3.48Å; I255-V257 VanDerWaalsContact C-N 3.25Å; I255-V257 PolarHBondContact O-N 3.37Å; V257-L275 HydrophobicContact CG1-CB 3.87Å; V257-L275 HydrophobicContact CG1-CD2 3.85Å; V257-L275 HydrophobicContact CG1-CG 4.29Å; V257-V276 CarbonylContact C-O 3.56Å; V257-V276 WeakPolarHBondContact CA-O 3.2Å; V257-I277 HydrophobicContact CG2-CG1 4.2Å
258	T	76.2	Confident	72.9	Confident	89 Å²	89	55.5 Å²	55.5	55%	0.546	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	114.6	169.9	-55.2	0	0	0	0	108.7	L275 V276	T258-L275 WeakPolarHBondContact O-CA 3.49Å; T258-V276 PolarHBondContact N-O 3.22Å; T258-V276 PolarHBondContact O-N 3.42Å
259	C	80.8	Confident	72.5	Confident	28 Å²	28	53.9 Å²	53.9	19%	0.189	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	127.1	176.9	179.9	0	0	0	0	111.1	C250 M274 L275	C250-C259 WeakPolarHBondContact CA-SG 3.04Å; C250-C259 HydrophobicContact CB-CB 3.53Å; C250-C259 WeakPolarHBondContact CB-SG 3.27Å; C250-C259 WeakPolarHBondContact SG-CB 3.19Å; C250-C259 PolarHBondContact SG-O 3.06Å; C250-C259 CovalentContact SG-SG 2.05Å; C250-C259 PolarHBondContact SG-SG 2.81Å; C259-M274 CarbonylContact C-O 3.56Å; C259-M274 WeakPolarHBondContact CA-O 3Å; C259-L275 HydrophobicContact CB-CD2 3.62Å
260	T	81.7	Confident	72.3	Confident	79 Å²	79	56.4 Å²	56.4	49%	0.485	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	123.9	175.8	-56.3	0	0	0	0	110.2	V262 A273 M274	T260-V262 PolarHBondContact O-N 3.3Å; T260-A273 CarbonylContact O-C 3.24Å; T260-A273 VanDerWaalsContact O-CA 3.31Å; T260-A273 WeakPolarHBondContact O-CA 3.44Å; T260-M274 PolarHBondContact N-O 3.44Å; T260-M274 PolarHBondContact O-N 3.16Å
261	V	83.6	Confident	72.2	Confident	24 Å²	24	54.8 Å²	54.8	15%	0.145	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	123.3	176.2	-177.8	0	0	0	0	109.9	I249 C250 F264	I249-V261 HydrophobicContact CD1-CG1 4.19Å; I249-V261 HydrophobicContact CD1-CG2 3.68Å; I249-V261 HydrophobicContact CG1-CG2 3.84Å; C250-V261 WeakPolarHBondContact SG-CG2 3.32Å; V261-F264 HydrophobicContact CG1-CE1 4.43Å; V261-F264 HydrophobicContact CG1-CE2 4.25Å; V261-F264 HydrophobicContact CG1-CZ 3.97Å
262	V	79.8	Confident	72.3	Confident	94 Å²	94	52.8 Å²	52.8	57%	0.57	32%	0.315	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	-35.7	178	-176.3	0	0	0	0	110.2	T260 N272 M274	T260-V262 PolarHBondContact O-N 3.3Å; V262-N272 HydrophobicContact CB-CB 4.3Å; V262-N272 PolarHBondContact N-O 2.53Å; V262-M274 HydrophobicContact CG2-CB 4.14Å; V262-M274 HydrophobicContact CG2-CE 4.22Å
263	G	80.7	Confident	73.2	Confident	13 Å²	13	52.2 Å²	52.2	13%	0.134	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	157.2	-178.9	173.2	0	0	0	0	0	114	N272	G263-N272 PolarHBondContact N-O 3.47Å; G263-N272 PolarHBondContact O-N 2.9Å; G263-N272 PolarHBondContact O-ND2 2.84Å
264	F	82.9	Confident	74.2	Confident	17 Å²	17	52.4 Å²	52.4	8%	0.075	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	139.9	178.6	-53	-81.1	0	0	0	111.2	L221 W230 L234 Y242 Y245 S246 I249 V261 V269 I270	L221-F264 HydrophobicContact CD1-CD1 3.81Å; L221-F264 HydrophobicContact CD1-CE1 3.57Å; W230-F264 HydrophobicContact CH2-CB 4.32Å; W230-F264 HydrophobicContact CZ3-CB 3.98Å; L234-F264 HydrophobicContact CB-CB 4.2Å; L234-F264 HydrophobicContact CB-CD2 4.2Å; L234-F264 HydrophobicContact CB-CG 4.39Å; L234-F264 HydrophobicContact CD2-CD2 4.01Å; L234-F264 HydrophobicContact CD2-CE2 4.2Å; L234-F264 HydrophobicContact CD2-CG 4.36Å; Y242-F264 HydrophobicContact CD1-CE2 4.08Å; Y242-F264 AromaticContact CD2-CD2 3.43Å; Y242-F264 HydrophobicContact CD2-CD2 3.43Å; Y242-F264 VanDerWaalsContact CD2-CD2 3.43Å; Y242-F264 AromaticContact CD2-CE2 3.4Å; Y242-F264 HydrophobicContact CD2-CE2 3.4Å; Y242-F264 VanDerWaalsContact CD2-CE2 3.4Å; Y242-F264 HydrophobicContact CE1-CE2 4.11Å; Y242-F264 AromaticContact CE2-CD2 3.41Å; Y242-F264 HydrophobicContact CE2-CD2 3.41Å; Y242-F264 VanDerWaalsContact CE2-CD2 3.41Å; Y242-F264 AromaticContact CE2-CE2 3.47Å; Y242-F264 HydrophobicContact CE2-CE2 3.47Å; Y242-F264 VanDerWaalsContact CE2-CE2 3.47Å; Y242-F264 HydrophobicContact CG-CD2 4.2Å; Y242-F264 AromaticContact CG-CE2 3.71Å; Y242-F264 HydrophobicContact CG-CE2 3.71Å; Y242-F264 AromaticContact CZ-CE2 3.82Å; Y245-F264 HydrophobicContact CD1-CE1 4.41Å; S246-F264 WeakPolarHBondContact OG-CZ 3.16Å; I249-F264 HydrophobicContact CD1-CE1 4.03Å; I249-F264 HydrophobicContact CD1-CZ 4.4Å; V261-F264 HydrophobicContact CG1-CE1 4.43Å; V261-F264 HydrophobicContact CG1-CE2 4.25Å; V261-F264 HydrophobicContact CG1-CZ 3.97Å; F264-V269 HydrophobicContact CB-CG1 4.42Å; F264-V269 HydrophobicContact CD1-CG1 3.98Å; F264-V269 HydrophobicContact CG-CG1 4.48Å; F264-I270 CarbonylContact C-O 3.52Å; F264-I270 VanDerWaalsContact CA-O 3.23Å; F264-I270 WeakPolarHBondContact CA-O 3.29Å
265	S	76.5	Confident	75	Confident	52 Å²	52	49.9 Å²	49.9	36%	0.364	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	144.9	179	-47.8	0	0	0	0	111.8	W230 G267 I270 N272	W230-S265 VanDerWaalsContact CZ3-O 3.25Å; W230-S265 WeakPolarHBondContact CZ3-O 3.41Å; S265-G267 PolarHBondContact O-N 2.95Å; S265-I270 PolarHBondContact N-O 2.73Å; S265-I270 PolarHBondContact O-N 3.11Å; S265-N272 PolarHBondContact OG-ND2 3.33Å
266	R	65.7	Low	75.8	Confident	162 Å²	162	44.5 Å²	44.5	61%	0.611	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	132.1	179.5	-87.1	-178.4	164.2	160.8	-3.5	111.2	W230 D232	W230-R266 HydrophobicContact CD2-CB 4.44Å; W230-R266 HydrophobicContact CD2-CG 3.73Å; W230-R266 HydrophobicContact CE3-CG 4.23Å; W230-R266 HydrophobicContact CG-CG 4.23Å; W230-R266 HydrophobicContact CH2-CG 3.98Å; W230-R266 HydrophobicContact CZ2-CG 3.43Å; W230-R266 VanDerWaalsContact CZ2-CG 3.43Å; W230-R266 HydrophobicContact CZ3-CG 4.35Å; D232-R266 IonicContact OD1-CZ 3.99Å; D232-R266 IonicContact OD1-NE 2.86Å; D232-R266 IonicContact OD1-NH2 3.29Å; D232-R266 PolarHBondContact OD1-NH2 3.1Å; D232-R266 IonicContact OD2-NH2 4Å
267	G	65.1	Low	76	Confident	43 Å²	43	42.7 Å²	42.7	44%	0.443	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	150.3	-149	-171.7	0	0	0	0	0	109.1	S265 V269	S265-G267 PolarHBondContact O-N 2.95Å; G267-V269 PolarHBondContact O-N 3.4Å
268	S	65.8	Low	75.8	Confident	39 Å²	39	43.3 Å²	43.3	27%	0.273	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	37.1	167.8	-58.7	0	0	0	0	113.2	T220 L228	T220-S268 VanDerWaalsContact CG2-CB 3.44Å; T220-S268 VanDerWaalsContact CG2-O 3.29Å; T220-S268 WeakPolarHBondContact CG2-O 3.45Å; L228-S268 CarbonylContact O-C 3.14Å; L228-S268 WeakPolarHBondContact O-CA 3.07Å
269	V	78.5	Confident	74.9	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	48.8	92.4	-164.6	-172.5	0	0	0	0	111.6	L221 L228 W230 L234 Y245 F264 G267	L221-V269 HydrophobicContact CB-CB 4.48Å; L221-V269 HydrophobicContact CB-CG1 4.34Å; L221-V269 WeakPolarHBondContact CB-O 3.5Å; L221-V269 HydrophobicContact CD1-CG1 3.9Å; L221-V269 HydrophobicContact CG-CG1 4.31Å; L221-V269 PolarHBondContact N-O 2.84Å; L228-V269 HydrophobicContact CB-CB 4.11Å; L228-V269 HydrophobicContact CB-CG2 3.9Å; W230-V269 HydrophobicContact CE3-CG2 4.12Å; L234-V269 HydrophobicContact CD1-CB 4.4Å; L234-V269 HydrophobicContact CD1-CG1 3.66Å; L234-V269 HydrophobicContact CD1-CG2 3.75Å; Y245-V269 HydrophobicContact CD1-CG1 4.28Å; Y245-V269 HydrophobicContact CE1-CG1 4.22Å; F264-V269 HydrophobicContact CB-CG1 4.42Å; F264-V269 HydrophobicContact CD1-CG1 3.98Å; F264-V269 HydrophobicContact CG-CG1 4.48Å; G267-V269 PolarHBondContact O-N 3.4Å
270	I	80	Confident	73.6	Confident	54 Å²	54	44.4 Å²	44.4	28%	0.277	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	122.7	171.8	-58.8	170.2	0	0	0	107.6	S218 S219 F264 S265	S218-I270 WeakPolarHBondContact OG-CG2 3.46Å; S219-I270 WeakPolarHBondContact O-CA 3.44Å; F264-I270 CarbonylContact C-O 3.52Å; F264-I270 VanDerWaalsContact CA-O 3.23Å; F264-I270 WeakPolarHBondContact CA-O 3.29Å; S265-I270 PolarHBondContact N-O 2.73Å; S265-I270 PolarHBondContact O-N 3.11Å
271	G	79.6	Confident	71.9	Confident	0 Å²	0	43.6 Å²	43.6	0%	0	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	134.5	173.3	0	0	0	0	0	110.1	S218 S219 F317	S218-G271 WeakPolarHBondContact CA-O 3.39Å; S218-G271 PolarHBondContact OG-O 3.04Å; S219-G271 PolarHBondContact N-O 2.98Å; S219-G271 PolarHBondContact O-N 3.47Å; G271-F317 WeakPolarHBondContact O-CE1 2.92Å
272	N	80.1	Confident	70	Confident	42 Å²	42	45.2 Å²	45.2	23%	0.225	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.2	173.3	-51.1	-79.3	0	0	0	108.4	V217 S218 V262 G263 S265	V217-N272 WeakPolarHBondContact O-CA 3.32Å; S218-N272 WeakPolarHBondContact CB-OD1 3.44Å; S218-N272 PolarHBondContact OG-OD1 2.89Å; V262-N272 HydrophobicContact CB-CB 4.3Å; V262-N272 PolarHBondContact N-O 2.53Å; G263-N272 PolarHBondContact N-O 3.47Å; G263-N272 PolarHBondContact O-N 2.9Å; G263-N272 PolarHBondContact O-ND2 2.84Å; S265-N272 PolarHBondContact OG-ND2 3.33Å
273	A	79.6	Confident	68	Low	2 Å²	2	45.2 Å²	45.2	2%	0.017	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	159.2	179.2	0	0	0	0	0	111.1	A216 V217 T260 F317	A216-A273 CarbonylContact C-O 3.54Å; A216-A273 WeakPolarHBondContact CA-O 3.17Å; V217-A273 PolarHBondContact N-O 3.41Å; V217-A273 PolarHBondContact O-N 3.22Å; T260-A273 CarbonylContact O-C 3.24Å; T260-A273 VanDerWaalsContact O-CA 3.31Å; T260-A273 WeakPolarHBondContact O-CA 3.44Å; A273-F317 HydrophobicContact CB-CZ 3.84Å
274	M	79.1	Confident	66	Low	67 Å²	67	53.8 Å²	53.8	33%	0.33	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	125.7	178.6	-166.7	-178.7	-66.2	0	0	107.9	T214 T215 C259 T260 V262	T214-M274 HydrophobicContact CG2-CG 3.36Å; T214-M274 HydrophobicContact CG2-SD 3.47Å; T214-M274 WeakPolarHBondContact CG2-SD 3.22Å; T215-M274 CarbonylContact O-C 3.59Å; T215-M274 WeakPolarHBondContact O-CA 3.38Å; C259-M274 CarbonylContact C-O 3.56Å; C259-M274 WeakPolarHBondContact CA-O 3Å; T260-M274 PolarHBondContact N-O 3.44Å; T260-M274 PolarHBondContact O-N 3.16Å; V262-M274 HydrophobicContact CG2-CB 4.14Å; V262-M274 HydrophobicContact CG2-CE 4.22Å
275	L	75	Confident	63.7	Low	4 Å²	4	60.1 Å²	60.1	2%	0.021	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	118.6	179.5	-59.1	-179.5	0	0	0	108.2	T214 T215 V217 L252 V257 T258 C259 V296 V300	T214-L275 CarbonylContact C-O 3.59Å; T214-L275 WeakPolarHBondContact CA-O 3.29Å; T215-L275 PolarHBondContact N-O 2.94Å; T215-L275 PolarHBondContact O-N 3.34Å; V217-L275 HydrophobicContact CG2-CD1 3.53Å; V217-L275 HydrophobicContact CG2-CG 3.91Å; L252-L275 HydrophobicContact CD1-CD2 3.7Å; V257-L275 HydrophobicContact CG1-CB 3.87Å; V257-L275 HydrophobicContact CG1-CD2 3.85Å; V257-L275 HydrophobicContact CG1-CG 4.29Å; T258-L275 WeakPolarHBondContact O-CA 3.49Å; C259-L275 HydrophobicContact CB-CD2 3.62Å; L275-V296 HydrophobicContact CD1-CG1 3.92Å; L275-V300 HydrophobicContact CD1-CG2 4.23Å
276	V	71.3	Confident	61.6	Low	32 Å²	32	64.7 Å²	64.7	19%	0.194	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	118.2	171.9	-176.3	0	0	0	0	107.7	T214 V257 T258	T214-V276 HydrophobicContact CG2-CG2 4.2Å; V257-V276 CarbonylContact C-O 3.56Å; V257-V276 WeakPolarHBondContact CA-O 3.2Å; T258-V276 PolarHBondContact N-O 3.22Å; T258-V276 PolarHBondContact O-N 3.42Å
277	I	67.5	Low	60.4	Low	22 Å²	22	61.4 Å²	61.4	11%	0.113	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	116.7	-178.8	-50.8	179.8	0	0	0	107.4	E212 R213 V257 Y279 V291 V296	E212-I277 WeakPolarHBondContact CA-O 3.33Å; R213-I277 PolarHBondContact N-O 3.21Å; R213-I277 VanDerWaalsContact N-O 3.1Å; R213-I277 PolarHBondContact O-N 2.99Å; V257-I277 HydrophobicContact CG2-CG1 4.2Å; I277-Y279 HydrophobicContact CG2-CE1 4.34Å; I277-V291 HydrophobicContact CD1-CG1 3.73Å; I277-V296 HydrophobicContact CD1-CG2 3.71Å
278	D	63.6	Low	59	Low	47 Å²	47	65 Å²	65	25%	0.251	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	114.7	179.5	178.6	7	0	0	0	110.3	N256 S280	N256-D278 PolarHBondContact O-N 2.99Å; N256-D278 VanDerWaalsContact O-N 3.07Å; D278-S280 WeakPolarHBondContact OD1-CB 3.41Å; D278-S280 PolarHBondContact OD1-N 3.21Å; D278-S280 PolarHBondContact OD1-OG 3.39Å; D278-S280 PolarHBondContact OD2-OG 3.25Å; D278-S280 VanDerWaalsContact OD2-OG 3.07Å
279	Y	56.8	Low	58	Low	48 Å²	48	66.1 Å²	66.1	19%	0.188	38%	0.384	C	S	.	.			trans	-82.7	-16.1	178.5	-61.8	-71.1	0	0	0	113.1	E210 T211 R213 I277 S281 T282 V291	E210-Y279 WeakPolarHBondContact O-CD2 3.45Å; T211-Y279 WeakPolarHBondContact O-CD2 3.22Å; T211-Y279 PolarHBondContact O-N 3.12Å; R213-Y279 HydrophobicContact CB-CE2 3.71Å; R213-Y279 WeakPolarHBondContact CD-OH 3.41Å; I277-Y279 HydrophobicContact CG2-CE1 4.34Å; Y279-S281 PolarHBondContact O-N 3.03Å; Y279-T282 PolarHBondContact O-N 3.29Å; Y279-T282 VanDerWaalsContact O-N 3.17Å; Y279-T282 PolarHBondContact O-OG1 3.38Å; Y279-V291 HydrophobicContact CE1-CB 4.36Å; Y279-V291 HydrophobicContact CE1-CG2 3.73Å; Y279-V291 WeakPolarHBondContact OH-CB 3.28Å
280	S	52.4	Low	56.6	Low	92 Å²	92	70.9 Å²	70.9	64%	0.643	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.4	-20.1	-168.1	70.9	0	0	0	0	114.4	D278	D278-S280 WeakPolarHBondContact OD1-CB 3.41Å; D278-S280 PolarHBondContact OD1-N 3.21Å; D278-S280 PolarHBondContact OD1-OG 3.39Å; D278-S280 PolarHBondContact OD2-OG 3.25Å; D278-S280 VanDerWaalsContact OD2-OG 3.07Å
281	S	47	Very low	55.6	Low	62 Å²	62	69.1 Å²	69.1	43%	0.434	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.5	11.1	-177.5	60.9	0	0	0	0	114.5	N256 Y279 S283	N256-S281 VanDerWaalsContact CG-OG 3.24Å; N256-S281 PolarHBondContact ND2-OG 3.12Å; N256-S281 PolarHBondContact OD1-OG 2.92Å; Y279-S281 PolarHBondContact O-N 3.03Å; S281-S283 PolarHBondContact O-N 3Å
282	T	44.1	Very low	55	Low	58 Å²	58	72.1 Å²	72.1	36%	0.356	42%	0.422	S	S	.	.			trans	-74.7	99.2	177.4	54.3	0	0	0	0	110.9	Y279 E284 F286	Y279-T282 PolarHBondContact O-N 3.29Å; Y279-T282 VanDerWaalsContact O-N 3.17Å; Y279-T282 PolarHBondContact O-OG1 3.38Å; T282-E284 PolarHBondContact O-N 3.22Å; T282-F286 HydrophobicContact CG2-CD2 3.73Å; T282-F286 HydrophobicContact CG2-CE2 4.28Å; T282-F286 HydrophobicContact CG2-CG 4.44Å
283	S	37.1	Very low	54.2	Low	93 Å²	93	73.7 Å²	73.7	65%	0.65	43%	0.428	S	S	*	.			trans	-55.2	135.4	163.4	61.4	0	0	0	0	109.4	S281 N285	S281-S283 PolarHBondContact O-N 3Å; S283-N285 PolarHBondContact O-N 2.92Å
284	E	37.7	Very low	53.6	Low	194 Å²	194	77.2 Å²	77.2	91%	0.907	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-6.6	-9.1	174.3	-66.3	-179.4	164.9	0	0	122.7	T282	T282-E284 PolarHBondContact O-N 3.22Å
285	N	35.2	Very low	53.1	Low	150 Å²	150	77.2 Å²	77.2	80%	0.802	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.5	-8.2	-177.8	-80.3	-19	0	0	0	115.9	S283 S287	S283-N285 PolarHBondContact O-N 2.92Å; N285-S287 PolarHBondContact O-N 3.05Å
286	F	33.1	Very low	52.9	Low	147 Å²	147	77.5 Å²	77.5	65%	0.645	45%	0.453	S	S	*	.	S	Bend	trans	-89.5	87.3	161.9	-77.7	-80.3	0	0	0	107.7	T282 S288	T282-F286 HydrophobicContact CG2-CD2 3.73Å; T282-F286 HydrophobicContact CG2-CE2 4.28Å; T282-F286 HydrophobicContact CG2-CG 4.44Å; F286-S288 VanDerWaalsContact C-N 3.27Å; F286-S288 PolarHBondContact O-N 2.9Å
287	S	38.9	Very low	53.2	Low	93 Å²	93	80.3 Å²	80.3	65%	0.65	46%	0.46	S	S	*	.			trans	-66	85.2	176.4	63.3	0	0	0	0	109.8	N285 A289	N285-S287 PolarHBondContact O-N 3.05Å; S287-A289 WeakPolarHBondContact O-CA 3.35Å; S287-A289 PolarHBondContact O-N 2.82Å
288	S	37.6	Very low	53.6	Low	120 Å²	120	84.1 Å²	84.1	84%	0.839	48%	0.481	S	S	*	.	S	Bend	trans	43.9	25.2	170.2	66	0	0	0	0	115.6	F286 V290	F286-S288 VanDerWaalsContact C-N 3.27Å; F286-S288 PolarHBondContact O-N 2.9Å; S288-V290 PolarHBondContact O-N 2.81Å
289	A	43.9	Very low	54.1	Low	62 Å²	62	83.9 Å²	83.9	51%	0.512	49%	0.485	S	S	.	.			trans	-83.8	95.6	-171.7	0	0	0	0	0	105.4	S287 V291	S287-A289 WeakPolarHBondContact O-CA 3.35Å; S287-A289 PolarHBondContact O-N 2.82Å; A289-V291 PolarHBondContact O-N 2.74Å
290	V	49.4	Very low	55.1	Low	99 Å²	99	81.6 Å²	81.6	60%	0.6	48%	0.476	S	S	*	.			trans	-46	116.7	175.5	179.1	0	0	0	0	107.9	S288 T292	S288-V290 PolarHBondContact O-N 2.81Å; V290-T292 HydrophobicContact CG1-CG2 4.34Å; V290-T292 PolarHBondContact O-N 2.97Å
291	V	57.9	Low	56.5	Low	18 Å²	18	79.9 Å²	79.9	11%	0.109	46%	0.461	C	S	.	.			trans	-71.9	102.4	176.5	177.5	0	0	0	0	107	R213 I277 Y279 A289 T295 V296	R213-V291 PolarHBondContact NE-O 3.15Å; I277-V291 HydrophobicContact CD1-CG1 3.73Å; Y279-V291 HydrophobicContact CE1-CB 4.36Å; Y279-V291 HydrophobicContact CE1-CG2 3.73Å; Y279-V291 WeakPolarHBondContact OH-CB 3.28Å; A289-V291 PolarHBondContact O-N 2.74Å; V291-T295 HydrophobicContact CG1-CG2 4.25Å; V291-V296 HydrophobicContact CG1-CG2 3.56Å
292	T	66.9	Low	58	Low	62 Å²	62	83.9 Å²	83.9	38%	0.38	47%	0.473	S	S	.	.			trans	-86.9	168.4	176.3	67.2	0	0	0	0	110.5	V290 D294 T295 V296	V290-T292 HydrophobicContact CG1-CG2 4.34Å; V290-T292 PolarHBondContact O-N 2.97Å; T292-D294 PolarHBondContact O-N 2.9Å; T292-D294 PolarHBondContact OG1-N 2.9Å; T292-T295 PolarHBondContact N-OG1 3.19Å; T292-T295 WeakPolarHBondContact O-CB 3.39Å; T292-T295 PolarHBondContact O-N 3.32Å; T292-T295 PolarHBondContact OG1-N 3.3Å; T292-T295 PolarHBondContact OG1-OG1 3.47Å; T292-V296 PolarHBondContact O-N 2.77Å; T292-V296 VanDerWaalsContact O-N 3.1Å
293	E	63.9	Low	59.8	Low	75 Å²	75	83.4 Å²	83.4	35%	0.35	47%	0.465	S	S	.	.	H	α-helix	trans	-54.5	-35.4	172.6	-67.5	177.9	176	0	0	112.1	V296 R297 I325 T327	E293-V296 PolarHBondContact O-N 3.26Å; E293-R297 VanDerWaalsContact O-CB 3.27Å; E293-R297 WeakPolarHBondContact O-CB 3.49Å; E293-R297 PolarHBondContact O-N 2.79Å; E293-I325 HydrophobicContact CB-CG2 4.34Å; E293-T327 WeakPolarHBondContact CG-OG1 3.48Å; E293-T327 WeakPolarHBondContact OE1-CB 3.36Å; E293-T327 PolarHBondContact OE1-N 2.97Å; E293-T327 PolarHBondContact OE1-OG1 3.47Å
294	D	67.2	Low	61.8	Low	77 Å²	77	79.1 Å²	79.1	41%	0.412	44%	0.435	S	S	.	.	H	α-helix	trans	-72	-34	176.7	-73.8	-34.2	0	0	0	112.5	T292 R297 N298	T292-D294 PolarHBondContact O-N 2.9Å; T292-D294 PolarHBondContact OG1-N 2.9Å; D294-R297 PolarHBondContact O-N 3.09Å; D294-R297 IonicContact OD1-CZ 2.71Å; D294-R297 IonicContact OD1-NH1 3.6Å; D294-R297 PolarHBondContact OD1-NH1 2.97Å; D294-N298 VanDerWaalsContact O-CB 3.32Å; D294-N298 WeakPolarHBondContact O-CB 3.45Å; D294-N298 PolarHBondContact O-N 3.15Å; D294-N298 PolarHBondContact O-ND2 3.42Å
295	T	68.2	Low	63.9	Low	67 Å²	67	72.6 Å²	72.6	41%	0.411	41%	0.414	S	S	.	.	H	α-helix	trans	-60.8	-47.5	171.8	-49.4	0	0	0	0	110.6	V291 T292 N298 A299	V291-T295 HydrophobicContact CG1-CG2 4.25Å; T292-T295 PolarHBondContact N-OG1 3.19Å; T292-T295 WeakPolarHBondContact O-CB 3.39Å; T292-T295 PolarHBondContact O-N 3.32Å; T292-T295 PolarHBondContact OG1-N 3.3Å; T292-T295 PolarHBondContact OG1-OG1 3.47Å; T295-N298 PolarHBondContact O-N 2.95Å; T295-A299 WeakPolarHBondContact O-CB 3.49Å; T295-A299 PolarHBondContact O-N 2.74Å
296	V	71.1	Confident	66	Low	10 Å²	10	70.8 Å²	70.8	6%	0.061	40%	0.401	C	S	.	.	H	α-helix	trans	-64.2	-43.4	176.8	-177.7	0	0	0	0	110.6	T215 L275 I277 V291 T292 E293 N298 A299 V300 I325	T215-V296 HydrophobicContact CG2-CG1 4.34Å; L275-V296 HydrophobicContact CD1-CG1 3.92Å; I277-V296 HydrophobicContact CD1-CG2 3.71Å; V291-V296 HydrophobicContact CG1-CG2 3.56Å; T292-V296 PolarHBondContact O-N 2.77Å; T292-V296 VanDerWaalsContact O-N 3.1Å; E293-V296 PolarHBondContact O-N 3.26Å; V296-N298 PolarHBondContact O-N 3.4Å; V296-A299 PolarHBondContact O-N 2.79Å; V296-V300 HydrophobicContact CG1-CG2 4.3Å; V296-V300 WeakPolarHBondContact O-CB 3.17Å; V296-V300 VanDerWaalsContact O-CG2 3.29Å; V296-V300 WeakPolarHBondContact O-CG2 3.26Å; V296-V300 PolarHBondContact O-N 3.02Å; V296-I325 HydrophobicContact CB-CG2 4.3Å; V296-I325 HydrophobicContact CG1-CG2 4.25Å
297	R	77.5	Confident	68.1	Low	90 Å²	90	64.5 Å²	64.5	34%	0.34	37%	0.374	S	S	.	.	H	α-helix	trans	-57.8	-49.9	176.9	-174	-179.1	-77.4	152.3	-6.7	112.2	E293 D294 V300 V301 I325	E293-R297 VanDerWaalsContact O-CB 3.27Å; E293-R297 WeakPolarHBondContact O-CB 3.49Å; E293-R297 PolarHBondContact O-N 2.79Å; D294-R297 PolarHBondContact O-N 3.09Å; D294-R297 IonicContact OD1-CZ 2.71Å; D294-R297 IonicContact OD1-NH1 3.6Å; D294-R297 PolarHBondContact OD1-NH1 2.97Å; R297-V300 PolarHBondContact O-N 2.59Å; R297-V301 HydrophobicContact CG-CG2 4.32Å; R297-V301 WeakPolarHBondContact O-CB 3.44Å; R297-V301 WeakPolarHBondContact O-CG2 2.81Å; R297-V301 PolarHBondContact O-N 2.87Å; R297-I325 HydrophobicContact CB-CD1 3.6Å; R297-I325 HydrophobicContact CG-CD1 3.96Å
298	N	76.2	Confident	70	Confident	103 Å²	103	62.5 Å²	62.5	55%	0.551	36%	0.357	S	S	*	.	H	α-helix	trans	-64.2	-42.9	-178.6	-70.5	-21.3	0	0	0	111.2	D294 T295 V296 V300 V301 E302	D294-N298 VanDerWaalsContact O-CB 3.32Å; D294-N298 WeakPolarHBondContact O-CB 3.45Å; D294-N298 PolarHBondContact O-N 3.15Å; D294-N298 PolarHBondContact O-ND2 3.42Å; T295-N298 PolarHBondContact O-N 2.95Å; V296-N298 PolarHBondContact O-N 3.4Å; N298-V300 PolarHBondContact O-N 3.21Å; N298-V301 PolarHBondContact O-N 3.09Å; N298-E302 VanDerWaalsContact O-CB 3.27Å; N298-E302 WeakPolarHBondContact O-CB 3.03Å; N298-E302 PolarHBondContact O-N 3.35Å
299	A	73.7	Confident	71.9	Confident	41 Å²	41	60.8 Å²	60.8	34%	0.339	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-45.2	176.4	0	0	0	0	0	112.4	T295 V296 E302 Y303	T295-A299 WeakPolarHBondContact O-CB 3.49Å; T295-A299 PolarHBondContact O-N 2.74Å; V296-A299 PolarHBondContact O-N 2.79Å; A299-E302 PolarHBondContact O-N 3.37Å; A299-Y303 WeakPolarHBondContact O-CB 3.16Å; A299-Y303 PolarHBondContact O-N 3.47Å
300	V	77.6	Confident	73.6	Confident	1 Å²	1	63.5 Å²	63.5	1%	0.006	36%	0.357	C	S	.	.	H	α-helix	trans	-63.6	-45.6	176.7	170.7	0	0	0	0	110.8	L275 V296 R297 N298 Y303 I304 L323	L275-V300 HydrophobicContact CD1-CG2 4.23Å; V296-V300 HydrophobicContact CG1-CG2 4.3Å; V296-V300 WeakPolarHBondContact O-CB 3.17Å; V296-V300 VanDerWaalsContact O-CG2 3.29Å; V296-V300 WeakPolarHBondContact O-CG2 3.26Å; V296-V300 PolarHBondContact O-N 3.02Å; R297-V300 PolarHBondContact O-N 2.59Å; N298-V300 PolarHBondContact O-N 3.21Å; V300-Y303 PolarHBondContact O-N 3.04Å; V300-I304 HydrophobicContact CG1-CD1 3.57Å; V300-I304 HydrophobicContact CG1-CG1 4.47Å; V300-I304 VanDerWaalsContact O-CD1 3.25Å; V300-I304 WeakPolarHBondContact O-CD1 3.28Å; V300-I304 WeakPolarHBondContact O-CG1 3.2Å; V300-I304 PolarHBondContact O-N 2.69Å; V300-L323 HydrophobicContact CG1-CD2 4.25Å
301	V	81.5	Confident	74.8	Confident	55 Å²	55	61.4 Å²	61.4	33%	0.333	36%	0.355	S	S	.	.	H	α-helix	trans	-64.2	-41.6	179.3	170.1	0	0	0	0	111.9	R297 N298 I304 A305 T319 L323	R297-V301 HydrophobicContact CG-CG2 4.32Å; R297-V301 WeakPolarHBondContact O-CB 3.44Å; R297-V301 WeakPolarHBondContact O-CG2 2.81Å; R297-V301 PolarHBondContact O-N 2.87Å; N298-V301 PolarHBondContact O-N 3.09Å; V301-I304 PolarHBondContact O-N 2.94Å; V301-A305 WeakPolarHBondContact O-CB 3.23Å; V301-A305 PolarHBondContact O-N 3.42Å; V301-T319 HydrophobicContact CB-CG2 4.49Å; V301-T319 HydrophobicContact CG1-CG2 4.31Å; V301-T319 HydrophobicContact CG2-CG2 4.08Å; V301-L323 HydrophobicContact CG2-CD2 3.8Å
302	E	79.8	Confident	75.8	Confident	147 Å²	147	62.3 Å²	62.3	69%	0.687	36%	0.362	S	S	*	.	H	α-helix	trans	-65.1	-44.5	178.9	-171.1	172.3	-163.3	0	0	111.4	N298 A299 I304 A305 E306	N298-E302 VanDerWaalsContact O-CB 3.27Å; N298-E302 WeakPolarHBondContact O-CB 3.03Å; N298-E302 PolarHBondContact O-N 3.35Å; A299-E302 PolarHBondContact O-N 3.37Å; E302-I304 PolarHBondContact O-N 3.25Å; E302-A305 WeakPolarHBondContact O-CB 3.42Å; E302-A305 PolarHBondContact O-N 3.46Å; E302-E306 PolarHBondContact O-N 3.4Å
303	Y	80.8	Confident	76.4	Confident	48 Å²	48	63.8 Å²	63.8	19%	0.188	37%	0.368	C	S	.	.	H	α-helix	trans	-61.7	-43.1	174.5	-177.5	-108.9	0	0	0	112.3	D251 L252 A299 V300 A305 E306 I307	D251-Y303 WeakPolarHBondContact O-CE1 3.46Å; D251-Y303 PolarHBondContact O-OH 2.89Å; L252-Y303 VanDerWaalsContact C-CZ 3.41Å; L252-Y303 VanDerWaalsContact CA-CE1 3.44Å; L252-Y303 HydrophobicContact CB-CE1 4.39Å; L252-Y303 HydrophobicContact CD2-CD1 3.81Å; L252-Y303 HydrophobicContact CD2-CE1 3.99Å; L252-Y303 WeakPolarHBondContact O-CD1 3.48Å; L252-Y303 WeakPolarHBondContact O-CD2 3.29Å; L252-Y303 WeakPolarHBondContact O-CE1 3.47Å; L252-Y303 VanDerWaalsContact O-CE2 3.3Å; L252-Y303 WeakPolarHBondContact O-CE2 3.36Å; L252-Y303 VanDerWaalsContact O-CZ 3.25Å; A299-Y303 WeakPolarHBondContact O-CB 3.16Å; A299-Y303 PolarHBondContact O-N 3.47Å; V300-Y303 PolarHBondContact O-N 3.04Å; Y303-A305 VanDerWaalsContact C-N 3.32Å; Y303-A305 PolarHBondContact O-N 3.19Å; Y303-E306 WeakPolarHBondContact O-CB 3.43Å; Y303-E306 PolarHBondContact O-N 3.01Å; Y303-I307 HydrophobicContact CD1-CD1 3.79Å; Y303-I307 HydrophobicContact CD1-CG1 4.44Å; Y303-I307 HydrophobicContact CE1-CD1 3.28Å; Y303-I307 HydrophobicContact CE1-CG1 4.07Å; Y303-I307 PolarHBondContact O-N 3.47Å
304	I	80.3	Confident	77.3	Confident	3 Å²	3	62.8 Å²	62.8	2%	0.015	36%	0.363	C	S	.	.	H	α-helix	trans	-63	-40.8	175.3	-66.1	158.2	0	0	0	110.7	V300 V301 E302 E306 I307 V308 Y316 F317 T319	V300-I304 HydrophobicContact CG1-CD1 3.57Å; V300-I304 HydrophobicContact CG1-CG1 4.47Å; V300-I304 VanDerWaalsContact O-CD1 3.25Å; V300-I304 WeakPolarHBondContact O-CD1 3.28Å; V300-I304 WeakPolarHBondContact O-CG1 3.2Å; V300-I304 PolarHBondContact O-N 2.69Å; V301-I304 PolarHBondContact O-N 2.94Å; E302-I304 PolarHBondContact O-N 3.25Å; I304-E306 VanDerWaalsContact C-N 3.26Å; I304-E306 PolarHBondContact O-N 3.06Å; I304-I307 PolarHBondContact O-N 2.97Å; I304-V308 HydrophobicContact CG2-CG2 4.25Å; I304-V308 VanDerWaalsContact O-CG2 3.27Å; I304-V308 WeakPolarHBondContact O-CG2 3.28Å; I304-V308 PolarHBondContact O-N 3.1Å; I304-Y316 HydrophobicContact CG2-CD2 3.47Å; I304-Y316 VanDerWaalsContact CG2-CD2 3.47Å; I304-Y316 HydrophobicContact CG2-CE2 3.94Å; I304-Y316 HydrophobicContact CG2-CG 4.1Å; I304-F317 HydrophobicContact CD1-CB 4.12Å; I304-F317 VanDerWaalsContact CD1-O 3.31Å; I304-F317 WeakPolarHBondContact CD1-O 3.42Å; I304-T319 HydrophobicContact CB-CG2 4.12Å; I304-T319 HydrophobicContact CD1-CG2 3.84Å; I304-T319 HydrophobicContact CG2-CG2 3.83Å
305	A	80.9	Confident	78.3	Confident	56 Å²	56	59.2 Å²	59.2	46%	0.463	34%	0.344	S	S	.	.	H	α-helix	trans	-60.4	-37.7	176.2	0	0	0	0	0	111.5	V301 E302 Y303 V308 A309	V301-A305 WeakPolarHBondContact O-CB 3.23Å; V301-A305 PolarHBondContact O-N 3.42Å; E302-A305 WeakPolarHBondContact O-CB 3.42Å; E302-A305 PolarHBondContact O-N 3.46Å; Y303-A305 VanDerWaalsContact C-N 3.32Å; Y303-A305 PolarHBondContact O-N 3.19Å; A305-V308 PolarHBondContact O-N 2.85Å; A305-A309 VanDerWaalsContact O-CB 3.23Å; A305-A309 WeakPolarHBondContact O-CB 3.38Å; A305-A309 PolarHBondContact O-N 3.48Å
306	E	80.3	Confident	79.1	Confident	113 Å²	113	56.5 Å²	56.5	53%	0.528	33%	0.326	S	S	.	.	H	α-helix	trans	-65.7	-46.9	173.9	-173.1	176.6	-176	0	0	112.4	E302 Y303 I304 V308 A309 N310	E302-E306 PolarHBondContact O-N 3.4Å; Y303-E306 WeakPolarHBondContact O-CB 3.43Å; Y303-E306 PolarHBondContact O-N 3.01Å; I304-E306 VanDerWaalsContact C-N 3.26Å; I304-E306 PolarHBondContact O-N 3.06Å; E306-V308 VanDerWaalsContact C-N 3.28Å; E306-V308 PolarHBondContact O-N 3.35Å; E306-A309 PolarHBondContact O-N 2.63Å; E306-N310 WeakPolarHBondContact O-CB 3.4Å; E306-N310 PolarHBondContact O-N 3.08Å; E306-N310 PolarHBondContact O-ND2 2.96Å
307	I	76.5	Confident	79.7	Confident	14 Å²	14	56.1 Å²	56.1	7%	0.072	32%	0.324	C	S	.	.	H	α-helix	trans	-54.6	-46.6	174.7	-71.7	178.4	0	0	0	110.7	Y303 I304 N310 G311 S312 Y316	Y303-I307 HydrophobicContact CD1-CD1 3.79Å; Y303-I307 HydrophobicContact CD1-CG1 4.44Å; Y303-I307 HydrophobicContact CE1-CD1 3.28Å; Y303-I307 HydrophobicContact CE1-CG1 4.07Å; Y303-I307 PolarHBondContact O-N 3.47Å; I304-I307 PolarHBondContact O-N 2.97Å; I307-N310 PolarHBondContact O-N 2.64Å; I307-G311 PolarHBondContact O-N 2.9Å; I307-S312 WeakPolarHBondContact O-CB 3.1Å; I307-S312 PolarHBondContact O-N 2.79Å; I307-S312 VanDerWaalsContact O-N 3.12Å; I307-Y316 HydrophobicContact CG2-CD1 3.7Å; I307-Y316 HydrophobicContact CG2-CE1 4.13Å; I307-Y316 HydrophobicContact CG2-CG 4.45Å
308	V	79	Confident	79.8	Confident	51 Å²	51	52 Å²	52	31%	0.309	31%	0.309	S	S	.	.	H	α-helix	trans	-67.8	-43.1	-179.5	174.8	0	0	0	0	111.2	I304 A305 E306 N310 G311 Y316	I304-V308 HydrophobicContact CG2-CG2 4.25Å; I304-V308 VanDerWaalsContact O-CG2 3.27Å; I304-V308 WeakPolarHBondContact O-CG2 3.28Å; I304-V308 PolarHBondContact O-N 3.1Å; A305-V308 PolarHBondContact O-N 2.85Å; E306-V308 VanDerWaalsContact C-N 3.28Å; E306-V308 PolarHBondContact O-N 3.35Å; V308-N310 VanDerWaalsContact C-N 3.31Å; V308-N310 PolarHBondContact O-N 3.47Å; V308-G311 PolarHBondContact O-N 2.88Å; V308-G311 VanDerWaalsContact O-N 3.11Å; V308-Y316 HydrophobicContact CG2-CE1 4.05Å; V308-Y316 HydrophobicContact CG2-CE2 3.89Å; V308-Y316 WeakPolarHBondContact CG2-OH 3.21Å
309	A	78.3	Confident	79.8	Confident	85 Å²	85	50.4 Å²	50.4	70%	0.702	30%	0.303	S	S	*	.	H	α-helix	trans	-64	-36.6	178.4	0	0	0	0	0	112.3	A305 E306 G311	A305-A309 VanDerWaalsContact O-CB 3.23Å; A305-A309 WeakPolarHBondContact O-CB 3.38Å; A305-A309 PolarHBondContact O-N 3.48Å; E306-A309 PolarHBondContact O-N 2.63Å; A309-G311 PolarHBondContact O-N 3.16Å
310	N	79.3	Confident	79.6	Confident	119 Å²	119	54 Å²	54	64%	0.636	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.6	-6.1	176.5	-72.8	-26.6	0	0	0	113.3	E306 I307 V308 S312	E306-N310 WeakPolarHBondContact O-CB 3.4Å; E306-N310 PolarHBondContact O-N 3.08Å; E306-N310 PolarHBondContact O-ND2 2.96Å; I307-N310 PolarHBondContact O-N 2.64Å; V308-N310 VanDerWaalsContact C-N 3.31Å; V308-N310 PolarHBondContact O-N 3.47Å; N310-S312 VanDerWaalsContact C-N 3.25Å; N310-S312 PolarHBondContact O-N 3.11Å
311	G	75	Confident	78.7	Confident	55 Å²	55	55.9 Å²	55.9	57%	0.567	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	30.2	-177.9	0	0	0	0	0	112.9	I307 V308 A309	I307-G311 PolarHBondContact O-N 2.9Å; V308-G311 PolarHBondContact O-N 2.88Å; V308-G311 VanDerWaalsContact O-N 3.11Å; A309-G311 PolarHBondContact O-N 3.16Å
312	S	77.6	Confident	77.9	Confident	36 Å²	36	55.8 Å²	55.8	25%	0.252	35%	0.349	S	S	.	.			trans	-65	140.4	178.9	-175.8	0	0	0	0	110.9	L224 I307 N310 Q314	L224-S312 WeakPolarHBondContact CD2-O 3.46Å; I307-S312 WeakPolarHBondContact O-CB 3.1Å; I307-S312 PolarHBondContact O-N 2.79Å; I307-S312 VanDerWaalsContact O-N 3.12Å; N310-S312 VanDerWaalsContact C-N 3.25Å; N310-S312 PolarHBondContact O-N 3.11Å; S312-Q314 WeakPolarHBondContact OG-CB 3.33Å; S312-Q314 PolarHBondContact OG-N 2.81Å
313	D	79.3	Confident	77.7	Confident	94 Å²	94	49.8 Å²	49.8	50%	0.503	32%	0.322	S	S	.	.			trans	-89.7	14.3	173.3	-166.5	29.8	0	0	0	112	R223 L224	R223-D313 VanDerWaalsContact CD-O 3.29Å; R223-D313 WeakPolarHBondContact CD-O 3.45Å; R223-D313 VanDerWaalsContact CD-OD1 3.26Å; R223-D313 WeakPolarHBondContact CD-OD1 3.38Å; R223-D313 WeakPolarHBondContact CG-O 3.12Å; R223-D313 VanDerWaalsContact CG-OD1 3.24Å; R223-D313 WeakPolarHBondContact CG-OD1 3.45Å; R223-D313 IonicContact NE-OD1 3.98Å; L224-D313 VanDerWaalsContact CD1-OD1 3.26Å; L224-D313 WeakPolarHBondContact CD1-OD1 3.47Å; L224-D313 HydrophobicContact CD2-CB 4.44Å; L224-D313 WeakPolarHBondContact CG-OD1 3.46Å
314	Q	83.6	Confident	77.5	Confident	54 Å²	54	50.7 Å²	50.7	25%	0.252	33%	0.332	S	S	.	.			trans	-68.8	151.6	172.8	-82	-179.4	-38.7	0	0	111.7	D251 S312 Y316	D251-Q314 PolarHBondContact OD2-NE2 3.04Å; S312-Q314 WeakPolarHBondContact OG-CB 3.33Å; S312-Q314 PolarHBondContact OG-N 2.81Å; Q314-Y316 VanDerWaalsContact O-CD1 3.29Å; Q314-Y316 WeakPolarHBondContact O-CD1 3.34Å
315	I	87.4	Confident	77.1	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	132.5	170.5	-59.7	166.6	0	0	0	109.3	L221 T222 R223 L228 Y245 Q248 I249	L221-I315 HydrophobicContact CB-CG2 3.97Å; L221-I315 HydrophobicContact CD1-CG2 4.16Å; L221-I315 HydrophobicContact CG-CG2 4.48Å; T222-I315 WeakPolarHBondContact O-CA 3.48Å; R223-I315 HydrophobicContact CB-CG1 4.31Å; L228-I315 HydrophobicContact CD1-CB 4.39Å; L228-I315 HydrophobicContact CD1-CD1 3.88Å; L228-I315 HydrophobicContact CD1-CG1 3.89Å; L228-I315 HydrophobicContact CD1-CG2 3.6Å; Y245-I315 HydrophobicContact CD1-CD1 4.12Å; Y245-I315 HydrophobicContact CD2-CD1 3.32Å; Y245-I315 HydrophobicContact CE1-CD1 4.16Å; Y245-I315 HydrophobicContact CE2-CD1 3.34Å; Y245-I315 HydrophobicContact CG-CD1 3.72Å; Q248-I315 HydrophobicContact CB-CB 4.04Å; I249-I315 HydrophobicContact CG2-CB 4.45Å; I249-I315 HydrophobicContact CG2-CG2 3.79Å
316	Y	85.9	Confident	76.6	Confident	10 Å²	10	54.1 Å²	54.1	4%	0.039	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	165	178.3	53.8	-93.5	0	0	0	111.4	T222 N225 I304 I307 V308 Q314 G318	T222-Y316 HydrophobicContact CG2-CE2 3.95Å; T222-Y316 PolarHBondContact N-O 2.73Å; T222-Y316 PolarHBondContact O-N 3.5Å; N225-Y316 PolarHBondContact N-OH 3.43Å; N225-Y316 PolarHBondContact OD1-OH 3.09Å; I304-Y316 HydrophobicContact CG2-CD2 3.47Å; I304-Y316 VanDerWaalsContact CG2-CD2 3.47Å; I304-Y316 HydrophobicContact CG2-CE2 3.94Å; I304-Y316 HydrophobicContact CG2-CG 4.1Å; I307-Y316 HydrophobicContact CG2-CD1 3.7Å; I307-Y316 HydrophobicContact CG2-CE1 4.13Å; I307-Y316 HydrophobicContact CG2-CG 4.45Å; V308-Y316 HydrophobicContact CG2-CE1 4.05Å; V308-Y316 HydrophobicContact CG2-CE2 3.89Å; V308-Y316 WeakPolarHBondContact CG2-OH 3.21Å; Q314-Y316 VanDerWaalsContact O-CD1 3.29Å; Q314-Y316 WeakPolarHBondContact O-CD1 3.34Å; Y316-G318 PolarHBondContact O-N 3.02Å
317	F	84.2	Confident	75.6	Confident	3 Å²	3	50.7 Å²	50.7	1%	0.013	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	125.7	172.7	-64.8	-78.1	0	0	0	110.2	V217 L221 I249 G271 A273 I304 T319 L323	V217-F317 HydrophobicContact CG1-CD1 4.48Å; V217-F317 HydrophobicContact CG1-CD2 4.44Å; V217-F317 HydrophobicContact CG1-CE1 4.42Å; V217-F317 HydrophobicContact CG1-CE2 4.4Å; V217-F317 HydrophobicContact CG1-CG 4.48Å; V217-F317 HydrophobicContact CG1-CZ 4.39Å; L221-F317 HydrophobicContact CD2-CD1 3.69Å; L221-F317 HydrophobicContact CD2-CE1 3.93Å; L221-F317 HydrophobicContact CD2-CG 4.29Å; I249-F317 HydrophobicContact CB-CE2 4.09Å; I249-F317 HydrophobicContact CB-CZ 4.22Å; I249-F317 HydrophobicContact CD1-CE1 4.49Å; I249-F317 HydrophobicContact CD1-CZ 4Å; I249-F317 HydrophobicContact CG1-CZ 4.43Å; G271-F317 WeakPolarHBondContact O-CE1 2.92Å; A273-F317 HydrophobicContact CB-CZ 3.84Å; I304-F317 HydrophobicContact CD1-CB 4.12Å; I304-F317 VanDerWaalsContact CD1-O 3.31Å; I304-F317 WeakPolarHBondContact CD1-O 3.42Å; F317-T319 PolarHBondContact O-N 3.06Å; F317-L323 HydrophobicContact CB-CD1 4.04Å; F317-L323 HydrophobicContact CG-CD1 4.49Å
318	G	79.8	Confident	74.4	Confident	3 Å²	3	53.5 Å²	53.5	3%	0.031	34%	0.343	C	S	.	.			trans	-67.5	126.3	176.8	0	0	0	0	0	110.7	S219 T220 Y316 S321	S219-G318 PolarHBondContact OG-O 3.15Å; T220-G318 WeakPolarHBondContact O-CA 3.3Å; T220-G318 PolarHBondContact O-N 3.34Å; Y316-G318 PolarHBondContact O-N 3.02Å; G318-S321 VanDerWaalsContact CA-OG 3.27Å; G318-S321 WeakPolarHBondContact CA-OG 3.49Å; G318-S321 PolarHBondContact O-OG 3.39Å; G318-S321 VanDerWaalsContact O-OG 3.08Å
319	T	76.2	Confident	73.1	Confident	70 Å²	70	55.8 Å²	55.8	43%	0.429	35%	0.353	S	S	.	.	S	Bend	trans	-78.3	-30.4	-179.4	52.8	0	0	0	0	112.4	V301 I304 F317	V301-T319 HydrophobicContact CB-CG2 4.49Å; V301-T319 HydrophobicContact CG1-CG2 4.31Å; V301-T319 HydrophobicContact CG2-CG2 4.08Å; I304-T319 HydrophobicContact CB-CG2 4.12Å; I304-T319 HydrophobicContact CD1-CG2 3.84Å; I304-T319 HydrophobicContact CG2-CG2 3.83Å; F317-T319 PolarHBondContact O-N 3.06Å
320	S	69.5	Low	71.3	Confident	116 Å²	116	55.3 Å²	55.3	81%	0.811	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.2	-0.4	178.4	53.5	0	0	0	0	114.4
321	S	58.2	Low	69.2	Low	41 Å²	41	51.5 Å²	51.5	29%	0.287	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-115.2	35.6	-169.2	50.4	0	0	0	0	113.6	S219 T220 G318	S219-S321 PolarHBondContact OG-OG 2.99Å; T220-S321 WeakPolarHBondContact CB-OG 3.45Å; G318-S321 VanDerWaalsContact CA-OG 3.27Å; G318-S321 WeakPolarHBondContact CA-OG 3.49Å; G318-S321 PolarHBondContact O-OG 3.39Å; G318-S321 VanDerWaalsContact O-OG 3.08Å
322	G	63.7	Low	67.1	Low	53 Å²	53	51.7 Å²	51.7	55%	0.546	32%	0.32	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.4	50.5	176.1	0	0	0	0	0	113.4	T324	G322-T324 PolarHBondContact O-N 2.8Å; G322-T324 VanDerWaalsContact O-N 3.08Å
323	L	75.7	Confident	64.9	Low	20 Å²	20	54.2 Å²	54.2	11%	0.105	33%	0.334	C	S	.	.			trans	-60.5	110.8	171.3	-179	66.4	0	0	0	109.9	V217 V300 V301 F317 I325	V217-L323 HydrophobicContact CG1-CD1 3.69Å; V300-L323 HydrophobicContact CG1-CD2 4.25Å; V301-L323 HydrophobicContact CG2-CD2 3.8Å; F317-L323 HydrophobicContact CB-CD1 4.04Å; F317-L323 HydrophobicContact CG-CD1 4.49Å; L323-I325 HydrophobicContact CD2-CD1 4.31Å; L323-I325 HydrophobicContact CG-CD1 4.33Å; L323-I325 HydrophobicContact CG-CG1 4.37Å
324	T	76.9	Confident	62.5	Low	67 Å²	67	56.1 Å²	56.1	41%	0.411	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	136.1	177.4	52.2	0	0	0	0	109.2	V217 S218 G322	V217-T324 WeakPolarHBondContact CA-O 3.38Å; S218-T324 WeakPolarHBondContact CB-OG1 3.01Å; S218-T324 PolarHBondContact N-O 3.3Å; S218-T324 PolarHBondContact O-N 3.27Å; S218-T324 PolarHBondContact O-OG1 3.07Å; G322-T324 PolarHBondContact O-N 2.8Å; G322-T324 VanDerWaalsContact O-N 3.08Å
325	I	71	Confident	59.8	Low	4 Å²	4	61.7 Å²	61.7	2%	0.021	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	122.6	-179	-65.4	-178.9	0	0	0	106.1	T215 A216 V217 E293 V296 R297 L323	T215-I325 HydrophobicContact CG2-CG2 3.39Å; A216-I325 VanDerWaalsContact O-CA 3.27Å; A216-I325 WeakPolarHBondContact O-CA 3.31Å; V217-I325 HydrophobicContact CG1-CG1 4.21Å; V217-I325 HydrophobicContact CG2-CG1 4.14Å; E293-I325 HydrophobicContact CB-CG2 4.34Å; V296-I325 HydrophobicContact CB-CG2 4.3Å; V296-I325 HydrophobicContact CG1-CG2 4.25Å; R297-I325 HydrophobicContact CB-CD1 3.6Å; R297-I325 HydrophobicContact CG-CD1 3.96Å; L323-I325 HydrophobicContact CD2-CD1 4.31Å; L323-I325 HydrophobicContact CG-CD1 4.33Å; L323-I325 HydrophobicContact CG-CG1 4.37Å
326	E	71.3	Confident	56.8	Low	128 Å²	128	69.9 Å²	69.9	60%	0.598	42%	0.415	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.3	133.9	-174.9	-68.6	179.9	177.2	0	0	109.7	T215 A216	T215-E326 CarbonylContact C-O 3.53Å; T215-E326 WeakPolarHBondContact CA-O 3.39Å; T215-E326 WeakPolarHBondContact CG2-O 3.27Å; A216-E326 PolarHBondContact N-O 3.13Å; A216-E326 PolarHBondContact O-N 3.08Å
327	T	59.6	Low	53.9	Low	40 Å²	40	77.4 Å²	77.4	25%	0.245	45%	0.454	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	129.8	175.4	-43.8	0	0	0	0	109.6	R213 E293	R213-T327 HydrophobicContact CG-CG2 4.16Å; R213-T327 PolarHBondContact NH2-OG1 3.25Å; E293-T327 WeakPolarHBondContact CG-OG1 3.48Å; E293-T327 WeakPolarHBondContact OE1-CB 3.36Å; E293-T327 PolarHBondContact OE1-N 2.97Å; E293-T327 PolarHBondContact OE1-OG1 3.47Å
328	V	51	Low	51.1	Low	74 Å²	74	83.6 Å²	83.6	45%	0.448	49%	0.493	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	-41.9	-174.7	-167.4	0	0	0	0	111.8	T214 A216	T214-V328 HydrophobicContact CG2-CB 4.35Å; T214-V328 PolarHBondContact O-N 2.92Å; A216-V328 HydrophobicContact CB-CG2 3.66Å
329	I	52.2	Low	48.5	Very low	98 Å²	98	91.2 Å²	91.2	50%	0.503	53%	0.528	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	136.9	-177.3	-55.8	178.2	0	0	0	110.6	T214 A331	T214-I329 PolarHBondContact N-O 2.83Å; T214-I329 VanDerWaalsContact N-O 3.09Å; T214-I329 PolarHBondContact O-N 3.44Å; I329-A331 HydrophobicContact CG2-CB 4.33Å
330	D	41.1	Very low	45.9	Very low	75 Å²	75	93.1 Å²	93.1	40%	0.401	54%	0.543	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	107	159.4	-69.1	-33.8	0	0	0	107.9	R213 A332	R213-D330 WeakPolarHBondContact CG-OD1 3.38Å; R213-D330 IonicContact CZ-OD1 3.65Å; R213-D330 VanDerWaalsContact CZ-OD1 3.28Å; R213-D330 IonicContact CZ-OD2 2.69Å; R213-D330 IonicContact NE-OD1 3.59Å; R213-D330 IonicContact NH1-OD1 3.08Å; R213-D330 PolarHBondContact NH1-OD1 3.4Å; R213-D330 IonicContact NH1-OD2 3.3Å; R213-D330 PolarHBondContact NH1-OD2 2.96Å; D330-A332 PolarHBondContact O-N 2.81Å
331	A	34.2	Very low	43.8	Very low	40 Å²	40	94.8 Å²	94.8	33%	0.331	54%	0.538	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	101.1	-177.6	0	0	0	0	0	110.1	E212 I329	E212-A331 PolarHBondContact O-N 3Å; I329-A331 HydrophobicContact CG2-CB 4.33Å
332	A	31.6	Very low	42.1	Very low	58 Å²	58	100.8 Å²	100.8	48%	0.479	57%	0.568	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.5	122.5	169.8	0	0	0	0	0	110.3	V208 D330	V208-A332 HydrophobicContact CG1-CB 3.52Å; D330-A332 PolarHBondContact O-N 2.81Å
333	T	30.4	Very low	40.2	Very low	89 Å²	89	104 Å²	104	55%	0.546	58%	0.577	S	S	.	*			trans	-87.3	124.3	168.7	40.3	0	0	0	0	110	T211 E335	T211-T333 PolarHBondContact OG1-OG1 3.34Å; T333-E335 PolarHBondContact O-N 2.71Å
334	T	28.6	Very low	37.8	Very low	134 Å²	134	111.4 Å²	111.4	82%	0.822	61%	0.611	S	S	*	*			trans	-78.8	107.6	171.7	-49.7	0	0	0	0	108.2	M336	T334-M336 PolarHBondContact O-N 3.01Å
335	E	26.8	Very low	35.2	Very low	171 Å²	171	112.9 Å²	112.9	80%	0.799	63%	0.63	S	S	*	*			trans	-59.5	121.6	171.8	-86.1	-163.7	150.8	0	0	109.9	T333 I337	T333-E335 PolarHBondContact O-N 2.71Å; E335-I337 PolarHBondContact O-N 3.43Å; E335-I337 VanDerWaalsContact O-N 3.15Å
336	M	26	Very low	32.9	Very low	173 Å²	173	123 Å²	123	85%	0.852	67%	0.669	S	S	*	*			trans	-66.3	111.5	175.2	-76	-164.4	-60.3	0	0	110	T334 T338	T334-M336 PolarHBondContact O-N 3.01Å; M336-T338 PolarHBondContact O-N 2.67Å
337	I	23.7	Very low	30.5	Very low	168 Å²	168	126.3 Å²	126.3	86%	0.862	68%	0.682	S	S	*	*			trans	-58.8	106.4	164	-53.4	173	0	0	0	107.1	E335 E339	E335-I337 PolarHBondContact O-N 3.43Å; E335-I337 VanDerWaalsContact O-N 3.15Å; I337-E339 PolarHBondContact O-N 3.33Å; I337-E339 VanDerWaalsContact O-N 3.13Å
338	T	24.7	Very low	28.9	Very low	133 Å²	133	130.9 Å²	130.9	82%	0.816	71%	0.71	S	S	*	*			trans	-76.1	100.4	173.2	0.1	0	0	0	0	107.2	M336 S340	M336-T338 PolarHBondContact O-N 2.67Å; T338-S340 PolarHBondContact O-N 2.84Å
339	E	25.2	Very low	27.5	Very low	164 Å²	164	134.5 Å²	134.5	77%	0.766	73%	0.732	S	S	*	*			trans	-61	109.1	173.1	-162	176.4	-161.4	0	0	108.4	I337 Q341	I337-E339 PolarHBondContact O-N 3.33Å; I337-E339 VanDerWaalsContact O-N 3.13Å; E339-Q341 VanDerWaalsContact C-N 3.31Å; E339-Q341 PolarHBondContact O-N 3.08Å
340	S	23.3	Very low	26.2	Very low	109 Å²	109	133.1 Å²	133.1	76%	0.762	74%	0.742	S	S	*	*			trans	-68.1	87.2	179.7	58.9	0	0	0	0	109.5	T338 D342	T338-S340 PolarHBondContact O-N 2.84Å; S340-D342 PolarHBondContact O-N 2.92Å; S340-D342 VanDerWaalsContact O-N 3.13Å
341	Q	24.3	Very low	25.4	Very low	151 Å²	151	138.9 Å²	138.9	71%	0.706	77%	0.767	S	S	*	*			trans	-76.7	97.2	164.6	-69.9	-157.7	-12.1	0	0	108.9	E339 T343	E339-Q341 VanDerWaalsContact C-N 3.31Å; E339-Q341 PolarHBondContact O-N 3.08Å; Q341-T343 VanDerWaalsContact C-N 3.3Å; Q341-T343 PolarHBondContact O-N 2.99Å; Q341-T343 PolarHBondContact O-OG1 3.35Å
342	D	22.2	Very low	25.1	Very low	168 Å²	168	146.2 Å²	146.2	90%	0.898	79%	0.794	S	S	*	*			trans	-46.7	95.5	158.2	-87.4	-36.6	0	0	0	109.2	S340	S340-D342 PolarHBondContact O-N 2.92Å; S340-D342 VanDerWaalsContact O-N 3.13Å
343	T	24.9	Very low	24.7	Very low	120 Å²	120	149.3 Å²	149.3	74%	0.736	81%	0.807	S	S	*	*			trans	-118.8	111.6	169.4	-26.3	0	0	0	0	108.3	Q341	Q341-T343 VanDerWaalsContact C-N 3.3Å; Q341-T343 PolarHBondContact O-N 2.99Å; Q341-T343 PolarHBondContact O-OG1 3.35Å
344	E	24.1	Very low	24.5	Very low	176 Å²	176	151.4 Å²	151.4	82%	0.822	82%	0.82	S	S	*	*			trans	-50.5	139.1	-173	-68.1	-173.8	136.5	0	0	114.1	Y346	E344-Y346 PolarHBondContact O-N 3.32Å; E344-Y346 VanDerWaalsContact O-N 3.09Å
345	A	22.2	Very low	24.3	Very low	98 Å²	98	151.6 Å²	151.6	81%	0.81	82%	0.816	S	S	*	*			trans	-56.6	104.9	176	0	0	0	0	0	113.1	K347	A345-K347 PolarHBondContact O-N 3.3Å
346	Y	23.2	Very low	24	Very low	217 Å²	217	149 Å²	149	85%	0.851	81%	0.812	S	S	*	*			trans	-81.2	104	155.9	-85.1	-83.8	0	0	0	109.9	E344 T348	E344-Y346 PolarHBondContact O-N 3.32Å; E344-Y346 VanDerWaalsContact O-N 3.09Å; Y346-T348 PolarHBondContact O-N 3.48Å
347	K	21.3	Very low	24.1	Very low	197 Å²	197	147.5 Å²	147.5	86%	0.857	81%	0.813	S	S	*	*			trans	-59.3	114.3	165.2	-76.7	174	174.5	171.9	0	110.2	A345	A345-K347 PolarHBondContact O-N 3.3Å
348	T	25	Very low	24	Very low	136 Å²	136	148.1 Å²	148.1	83%	0.834	81%	0.812	S	S	*	*			trans	-128.9	112.5	153.9	40.4	0	0	0	0	110	Y346	Y346-T348 PolarHBondContact O-N 3.48Å
349	T	22.2	Very low	24	Very low	149 Å²	149	148.1 Å²	148.1	91%	0.914	81%	0.811	S	S	*	*			trans	-70.7	139	171.1	35.7	0	0	0	0	112.4
350	G	26.2	Very low	23.7	Very low	70 Å²	70	145.8 Å²	145.8	72%	0.722	81%	0.809	S	S	*	*			trans	154.6	90.5	167.5	0	0	0	0	0	107.4
351	E	22.6	Very low	23.7	Very low	196 Å²	196	146.4 Å²	146.4	92%	0.916	81%	0.808	S	S	*	*				51.3	86.6	71.9	-154.2	175.1	-145.1	0	0	112.2
352	E	28.4	Very low	23.5	Very low	193 Å²	193	148.1 Å²	148.1	90%	0.902	82%	0.816	S	S	*	*				-162.7	130.2	129.9	-109.7	177.7	-173.6	0	0	111
353	T	22.5	Very low	23.6	Very low	124 Å²	124	146.9 Å²	146.9	76%	0.761	81%	0.808	S	S	*	*			trans	-80.9	141.1	-179.4	45	0	0	0	0	111.9
354	T	26.6	Very low	23.4	Very low	132 Å²	132	148.6 Å²	148.6	81%	0.81	81%	0.812	S	S	*	*			trans	-163.2	117.2	139.4	-7.3	0	0	0	0	113.7
355	D	24.6	Very low	23.4	Very low	139 Å²	139	147.4 Å²	147.4	74%	0.743	81%	0.81	S	S	*	*			trans	48.7	99.6	141.4	-70	-13.5	0	0	0	122.8
356	T	21.3	Very low	23.4	Very low	117 Å²	117	148.5 Å²	148.5	72%	0.718	81%	0.807	S	S	*	*				31.8	122.4	113	54.7	0	0	0	0	119.9
357	T	27.6	Very low	23.4	Very low	140 Å²	140	147.2 Å²	147.2	86%	0.859	81%	0.809	S	S	*	*				-163	96.3	111.8	0.6	0	0	0	0	109.8
358	E	21.5	Very low	23.4	Very low	181 Å²	181	143.7 Å²	143.7	85%	0.846	80%	0.804	S	S	*	*			trans	-77.5	127.3	165.7	-79.1	177.7	141.5	0	0	109.2
359	V	24.2	Very low	23.3	Very low	133 Å²	133	144.8 Å²	144.8	81%	0.806	81%	0.805	S	S	*	*			trans	-99.7	99.4	165.5	178.4	0	0	0	0	106.8
360	T	20.7	Very low	23.4	Very low	116 Å²	116	145.3 Å²	145.3	71%	0.712	80%	0.8	S	S	*	*			trans	-78.5	116.1	172.1	45	0	0	0	0	109.9
361	T	22.9	Very low	23.3	Very low	122 Å²	122	147.3 Å²	147.3	75%	0.748	80%	0.799	S	S	*	*			trans	-103.5	104	159.9	36	0	0	0	0	108.6	I363	T361-I363 PolarHBondContact O-N 2.95Å
362	E	20.4	Very low	23.2	Very low	186 Å²	186	147.2 Å²	147.2	87%	0.869	80%	0.798	S	S	*	*			trans	-66.8	120.3	170.5	-71.9	174.9	148.8	0	0	109.3
363	I	23.2	Very low	23	Very low	142 Å²	142	143.4 Å²	143.4	73%	0.728	79%	0.788	S	S	*	*			trans	-110.7	104.8	164.1	-62.6	176.3	0	0	0	106.4	T361 I365	T361-I363 PolarHBondContact O-N 2.95Å; I363-I365 HydrophobicContact CG2-CG1 4.21Å; I363-I365 PolarHBondContact O-N 2.85Å
364	D	20	Very low	23	Very low	156 Å²	156	146.7 Å²	146.7	83%	0.834	80%	0.795	S	S	*	*			trans	-64.9	105.4	171.9	-96.5	-35.3	0	0	0	109.5
365	I	24.9	Very low	22.8	Very low	151 Å²	151	146.4 Å²	146.4	77%	0.774	79%	0.793	S	S	*	*			trans	-102	111	164.6	-53.6	177.5	0	0	0	106.7	I363 E367	I363-I365 HydrophobicContact CG2-CG1 4.21Å; I363-I365 PolarHBondContact O-N 2.85Å; I365-E367 PolarHBondContact O-N 2.86Å
366	T	22.4	Very low	22.6	Very low	121 Å²	121	147.4 Å²	147.4	74%	0.742	80%	0.795	S	S	*	*			trans	-76.2	103.6	179.3	25.6	0	0	0	0	109.1	T368	T366-T368 PolarHBondContact O-N 3.33Å; T366-T368 PolarHBondContact O-OG1 3.32Å
367	E	22.2	Very low	22.5	Very low	191 Å²	191	151.2 Å²	151.2	89%	0.893	81%	0.805	S	S	*	*			trans	-58.9	114.5	172.2	-160.2	170.8	-158.8	0	0	109	I365	I365-E367 PolarHBondContact O-N 2.86Å
368	T	23.1	Very low	22.2	Very low	122 Å²	122	149.9 Å²	149.9	75%	0.748	80%	0.796	S	S	*	*			trans	-94.3	108.1	178.8	-30.4	0	0	0	0	107.8	T366 I370	T366-T368 PolarHBondContact O-N 3.33Å; T366-T368 PolarHBondContact O-OG1 3.32Å; T368-I370 PolarHBondContact O-N 3.09Å; T368-I370 VanDerWaalsContact O-N 3.1Å
369	D	21	Very low	22.1	Very low	159 Å²	159	150.6 Å²	150.6	85%	0.85	80%	0.8	S	S	*	*			trans	-47.2	109.5	171.6	-83.5	-44.9	0	0	0	111.1
370	I	25.6	Very low	21.9	Very low	160 Å²	160	154.5 Å²	154.5	82%	0.821	80%	0.8	S	S	*	*			trans	-111.6	108.3	161.1	-41	180	0	0	0	107.2	T368	T368-I370 PolarHBondContact O-N 3.09Å; T368-I370 VanDerWaalsContact O-N 3.1Å
371	T	22.9	Very low	21.9	Very low	113 Å²	113	154.7 Å²	154.7	69%	0.693	80%	0.801	S	S	*	*			trans	-52	127.4	-176.6	43.7	0	0	0	0	113.7	T373	T371-T373 PolarHBondContact O-N 3.37Å; T371-T373 VanDerWaalsContact O-N 3.09Å; T371-T373 PolarHBondContact O-OG1 3.37Å
372	E	22	Very low	21.9	Very low	194 Å²	194	156 Å²	156	91%	0.907	81%	0.809	S	S	*	*			trans	-44.8	110.7	162.8	-71.3	177.7	149.3	0	0	110.2
373	T	23.4	Very low	21.9	Very low	113 Å²	113	150.1 Å²	150.1	69%	0.693	80%	0.799	S	S	*	*			trans	-97.6	104.2	167.8	-50.5	0	0	0	0	107	T371 V375	T371-T373 PolarHBondContact O-N 3.37Å; T371-T373 VanDerWaalsContact O-N 3.09Å; T371-T373 PolarHBondContact O-OG1 3.37Å; T373-V375 HydrophobicContact CG2-CG2 4.09Å; T373-V375 PolarHBondContact O-N 2.95Å
374	E	21.6	Very low	21.7	Very low	193 Å²	193	146.4 Å²	146.4	90%	0.902	80%	0.795	S	S	*	*			trans	-53.8	105.6	166.2	-72.3	-177.9	146.7	0	0	109.1
375	V	22.5	Very low	21.7	Very low	126 Å²	126	146.2 Å²	146.2	76%	0.764	79%	0.792	S	S	*	*			trans	-115.3	109.9	166.5	-172.6	0	0	0	0	107.6	T373	T373-V375 HydrophobicContact CG2-CG2 4.09Å; T373-V375 PolarHBondContact O-N 2.95Å
376	M	20.9	Very low	21.5	Very low	160 Å²	160	147.4 Å²	147.4	79%	0.788	79%	0.792	S	S	*	*			trans	-48.2	135.9	-177.3	-59.4	-175.4	-43.1	0	0	113.1	T378	M376-T378 PolarHBondContact O-N 2.89Å; M376-T378 PolarHBondContact O-OG1 3.18Å
377	E	20.1	Very low	21.4	Very low	197 Å²	197	149.3 Å²	149.3	92%	0.921	80%	0.797	S	S	*	*			trans	-44.5	106.3	161.4	-67.4	179.2	153.7	0	0	110.1
378	T	21.4	Very low	21.4	Very low	111 Å²	111	149.5 Å²	149.5	68%	0.681	79%	0.791	S	S	*	*			trans	-97.9	99.5	168.7	-45.6	0	0	0	0	106.5	M376 R380	M376-T378 PolarHBondContact O-N 2.89Å; M376-T378 PolarHBondContact O-OG1 3.18Å; T378-R380 PolarHBondContact O-N 3.19Å
379	E	19.2	Very low	21.3	Very low	196 Å²	196	151.5 Å²	151.5	92%	0.916	80%	0.797	S	S	*	*			trans	-55.5	99.9	165.2	-71	-173.2	161.9	0	0	108.5
380	R	19.8	Very low	21.3	Very low	216 Å²	216	148.6 Å²	148.6	82%	0.815	79%	0.789	S	S	*	*			trans	-121.8	90.5	173.3	-152.6	175.9	-179.8	119.3	-2.6	108.8	T378	T378-R380 PolarHBondContact O-N 3.19Å
381	T	21	Very low	21.1	Very low	119 Å²	119	150 Å²	150	73%	0.73	79%	0.793	S	S	*	*			trans	4.6	113.8	147.3	42.1	0	0	0	0	115.3	G383	T381-G383 VanDerWaalsContact C-N 3.32Å; T381-G383 PolarHBondContact O-N 2.99Å
382	T	21.9	Very low	21.1	Very low	150 Å²	150	149.9 Å²	149.9	92%	0.92	79%	0.791	S	S	*	*			trans	-12.4	81.5	146.7	24	0	0	0	0	114.1
383	G	20.2	Very low	21.4	Very low	63 Å²	63	145.2 Å²	145.2	65%	0.649	78%	0.78	S	S	*	*			trans	-87	109.7	160.4	0	0	0	0	0	106.5	T381 I385	T381-G383 VanDerWaalsContact C-N 3.32Å; T381-G383 PolarHBondContact O-N 2.99Å; G383-I385 PolarHBondContact O-N 2.82Å
384	G	18.8	Very low	21.6	Very low	63 Å²	63	145.1 Å²	145.1	65%	0.649	78%	0.775	S	S	*	*			trans	-51	124.2	175.7	0	0	0	0	0	110.2	F386	G384-F386 WeakPolarHBondContact O-CD2 3.35Å; G384-F386 PolarHBondContact O-N 3.03Å
385	I	21.2	Very low	22.4	Very low	153 Å²	153	136.9 Å²	136.9	79%	0.785	74%	0.738	S	S	*	*			trans	-70.2	110.4	173.2	-64.7	171.9	0	0	0	105.9	G383 L387	G383-I385 PolarHBondContact O-N 2.82Å; I385-L387 HydrophobicContact CG2-CD2 4.44Å; I385-L387 PolarHBondContact O-N 3.44Å
386	F	20	Very low	23.7	Very low	175 Å²	175	134.6 Å²	134.6	77%	0.768	72%	0.718	S	S	*	*			trans	-69.6	105.8	168.6	-77.8	-97.1	0	0	0	107.3	G384 Y388	G384-F386 WeakPolarHBondContact O-CD2 3.35Å; G384-F386 PolarHBondContact O-N 3.03Å; F386-Y388 HydrophobicContact CB-CD2 4.47Å; F386-Y388 HydrophobicContact CB-CE2 4.17Å; F386-Y388 PolarHBondContact O-N 2.83Å
387	L	21.5	Very low	25.6	Very low	161 Å²	161	128.6 Å²	128.6	84%	0.843	69%	0.69	S	S	*	*			trans	-72.7	107.1	166	-64.6	171.6	0	0	0	106.6	I385	I385-L387 HydrophobicContact CG2-CD2 4.44Å; I385-L387 PolarHBondContact O-N 3.44Å
388	Y	21.9	Very low	27.7	Very low	195 Å²	195	119.4 Å²	119.4	77%	0.765	65%	0.647	S	S	*	*			trans	-77.6	117.5	165.7	-77.3	-89.1	0	0	0	107.3	F386 S390	F386-Y388 HydrophobicContact CB-CD2 4.47Å; F386-Y388 HydrophobicContact CB-CE2 4.17Å; F386-Y388 PolarHBondContact O-N 2.83Å; Y388-S390 PolarHBondContact O-N 3.19Å; Y388-S390 PolarHBondContact O-OG 2.97Å
389	D	20.1	Very low	30	Very low	164 Å²	164	115.9 Å²	115.9	88%	0.877	62%	0.624	S	S	*	*			trans	-56	104.3	162.9	-89.5	-37.2	0	0	0	107.5	E391	D389-E391 PolarHBondContact O-N 3.37Å
390	S	22.2	Very low	32.7	Very low	99 Å²	99	106.6 Å²	106.6	69%	0.692	58%	0.581	S	S	*	*			trans	-89.3	100.1	172.5	-51.7	0	0	0	0	105.4	Y388 V392	Y388-S390 PolarHBondContact O-N 3.19Å; Y388-S390 PolarHBondContact O-OG 2.97Å; S390-V392 PolarHBondContact O-N 3.41Å; S390-V392 VanDerWaalsContact O-N 3.09Å
391	E	21.5	Very low	35.6	Very low	190 Å²	190	98.4 Å²	98.4	89%	0.888	56%	0.555	S	S	*	*			trans	-60.9	112.2	174.6	-69.9	-173.4	167.8	0	0	109	D389 S393	D389-E391 PolarHBondContact O-N 3.37Å; E391-S393 PolarHBondContact O-N 3.07Å
392	V	22.4	Very low	38.7	Very low	109 Å²	109	92.8 Å²	92.8	66%	0.661	52%	0.52	S	S	*	.			trans	-73.4	113.9	179.5	177.5	0	0	0	0	108.8	S390 L394	S390-V392 PolarHBondContact O-N 3.41Å; S390-V392 VanDerWaalsContact O-N 3.09Å; V392-L394 PolarHBondContact O-N 3.48Å
393	S	28.6	Very low	41.6	Very low	96 Å²	96	87.1 Å²	87.1	67%	0.671	49%	0.487	S	S	*	.			trans	-81.1	105.2	172.7	156.3	0	0	0	0	110	E391 T395	E391-S393 PolarHBondContact O-N 3.07Å; S393-T395 PolarHBondContact O-N 3.03Å
394	L	26.6	Very low	44.7	Very low	111 Å²	111	84.2 Å²	84.2	58%	0.581	46%	0.457	S	S	*	.			trans	-76.2	117.8	175.5	-70.2	162.1	0	0	0	110.7	V392 K396 A528	V392-L394 PolarHBondContact O-N 3.48Å; L394-K396 PolarHBondContact O-N 2.79Å; L394-A528 HydrophobicContact CD2-CB 4.27Å
395	T	38.6	Very low	48	Very low	21 Å²	21	82.4 Å²	82.4	13%	0.129	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	115.3	169.6	50.9	0	0	0	0	109	S393 T529	S393-T395 PolarHBondContact O-N 3.03Å; T395-T529 PolarHBondContact N-O 3.31Å; T395-T529 PolarHBondContact O-N 3.29Å; T395-T529 PolarHBondContact O-OG1 2.85Å; T395-T529 PolarHBondContact OG1-O 2.05Å; T395-T529 PolarHBondContact OG1-OG1 2.78Å
396	K	50.9	Low	51.2	Low	78 Å²	78	75.1 Å²	75.1	34%	0.339	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	130.5	175.4	-163.8	164.8	179.1	169.2	0	108.6	L394 Y475 D526	L394-K396 PolarHBondContact O-N 2.79Å; K396-Y475 HydrophobicContact CB-CD2 3.85Å; K396-Y475 HydrophobicContact CB-CG 4.42Å; K396-Y475 HydrophobicContact CG-CD2 3.91Å; K396-Y475 HydrophobicContact CG-CE2 4.28Å; K396-Y475 WeakPolarHBondContact O-CB 3.42Å; K396-Y475 WeakPolarHBondContact O-CD2 3.38Å; K396-Y475 PolarHBondContact O-N 2.66Å; K396-Y475 VanDerWaalsContact O-N 3.12Å; K396-D526 WeakPolarHBondContact CE-OD1 3.4Å; K396-D526 WeakPolarHBondContact CE-OD2 3.45Å; K396-D526 IonicContact NZ-OD1 2.79Å; K396-D526 IonicContact NZ-OD2 2.74Å; K396-D526 PolarHBondContact NZ-OD2 3.14Å
397	T	59.4	Low	54.5	Low	33 Å²	33	67.2 Å²	67.2	20%	0.202	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	139.1	170.9	54.7	0	0	0	0	109.7	I473 A527	T397-I473 WeakPolarHBondContact CA-O 3.31Å; T397-A527 PolarHBondContact N-O 2.84Å; T397-A527 PolarHBondContact O-N 2.88Å; T397-A527 VanDerWaalsContact O-N 3.12Å; T397-A527 PolarHBondContact OG1-O 2.92Å
398	A	64.4	Low	57.6	Low	4 Å²	4	64 Å²	64	3%	0.033	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	135.5	175.3	0	0	0	0	0	111	I473 Y475 I525	A398-I473 HydrophobicContact CB-CB 4.26Å; A398-I473 PolarHBondContact N-O 3.23Å; A398-I473 PolarHBondContact O-N 3.41Å; A398-Y475 HydrophobicContact CB-CE2 3.75Å; A398-I525 WeakPolarHBondContact CA-O 3.05Å
399	I	69.6	Low	60.6	Low	38 Å²	38	59.3 Å²	59.3	20%	0.195	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	123.9	176	-55.8	180	0	0	0	109	M470 L471 V472 T523 V524 I525	I399-M470 HydrophobicContact CG2-CG 3.65Å; I399-M470 HydrophobicContact CG2-SD 3.65Å; I399-L471 CarbonylContact C-O 3.54Å; I399-L471 WeakPolarHBondContact CA-O 3.27Å; I399-V472 HydrophobicContact CG1-CG1 4.48Å; I399-V472 HydrophobicContact CG1-CG2 4.42Å; I399-T523 CarbonylContact O-C 3.56Å; I399-T523 WeakPolarHBondContact O-CA 3.42Å; I399-V524 HydrophobicContact CB-CB 4.4Å; I399-V524 HydrophobicContact CG2-CB 4.25Å; I399-V524 HydrophobicContact CG2-CG2 4.47Å; I399-V524 PolarHBondContact O-N 2.87Å; I399-I525 HydrophobicContact CD1-CB 4.29Å; I399-I525 HydrophobicContact CD1-CD1 4.21Å; I399-I525 HydrophobicContact CD1-CG1 4.48Å; I399-I525 HydrophobicContact CG1-CB 4.49Å; I399-I525 PolarHBondContact N-O 3.48Å
400	I	75.6	Confident	63.5	Low	0 Å²	0	56.8 Å²	56.8	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	126.3	-178	-60.1	-178.3	0	0	0	109.7	V402 M470 L471 I473 V487 V492 I521 E522 T523	I400-V402 HydrophobicContact CG2-CG2 4.48Å; I400-M470 CarbonylContact O-C 3.52Å; I400-M470 WeakPolarHBondContact O-CA 3.48Å; I400-L471 HydrophobicContact CB-CB 4.3Å; I400-L471 PolarHBondContact N-O 2.82Å; I400-L471 PolarHBondContact O-N 2.78Å; I400-I473 HydrophobicContact CD1-CD1 3.57Å; I400-I473 HydrophobicContact CG1-CD1 4.29Å; I400-V487 HydrophobicContact CD1-CG1 4.22Å; I400-V492 HydrophobicContact CD1-CG2 3.58Å; I400-I521 HydrophobicContact CG2-CG2 3.63Å; I400-E522 CarbonylContact C-O 3.46Å; I400-E522 VanDerWaalsContact CA-O 3.29Å; I400-E522 WeakPolarHBondContact CA-O 3.39Å; I400-T523 HydrophobicContact CD1-CG2 4.17Å; I400-T523 HydrophobicContact CG1-CG2 3.78Å
401	T	82	Confident	66.3	Low	44 Å²	44	59.5 Å²	59.5	27%	0.27	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	144.9	172.9	54.9	0	0	0	0	110.5	A469 M470 I521 E522 V524	T401-A469 CarbonylContact C-O 3.56Å; T401-A469 WeakPolarHBondContact CA-O 3.36Å; T401-M470 HydrophobicContact CG2-CG 4.48Å; T401-I521 VanDerWaalsContact O-CA 3.27Å; T401-I521 WeakPolarHBondContact O-CA 3.12Å; T401-E522 PolarHBondContact N-O 3.05Å; T401-E522 PolarHBondContact O-N 3.34Å; T401-E522 PolarHBondContact OG1-O 2.67Å; T401-V524 HydrophobicContact CG2-CG2 3.51Å
402	V	84.8	Confident	69.4	Low	1 Å²	1	53.8 Å²	53.8	1%	0.006	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	124.3	179	-174.4	0	0	0	0	108.6	I400 L438 A469 L471 F513 L519 T520 I521	I400-V402 HydrophobicContact CG2-CG2 4.48Å; V402-L438 HydrophobicContact CB-CD1 4.4Å; V402-L438 HydrophobicContact CG1-CD2 4.2Å; V402-L438 HydrophobicContact CG2-CD1 4.4Å; V402-L438 HydrophobicContact CG2-CD2 4.27Å; V402-A469 PolarHBondContact N-O 3.48Å; V402-A469 PolarHBondContact O-N 2.76Å; V402-L471 HydrophobicContact CG2-CD1 3.91Å; V402-F513 HydrophobicContact CG1-CD2 4.43Å; V402-F513 HydrophobicContact CG1-CE1 4.47Å; V402-F513 HydrophobicContact CG1-CE2 4.01Å; V402-F513 HydrophobicContact CG1-CZ 4Å; V402-L519 HydrophobicContact CG1-CD1 3.84Å; V402-T520 WeakPolarHBondContact CA-O 3.29Å; V402-I521 HydrophobicContact CG1-CG1 4.06Å; V402-I521 HydrophobicContact CG2-CG1 4.2Å
403	S	82.6	Confident	72.4	Confident	31 Å²	31	49.1 Å²	49.1	22%	0.217	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	138.3	172.7	90.1	0	0	0	0	113.7	G467 N468 T520	S403-G467 VanDerWaalsContact CA-O 3.27Å; S403-G467 WeakPolarHBondContact CA-O 3.44Å; S403-N468 VanDerWaalsContact CB-OD1 3.24Å; S403-N468 WeakPolarHBondContact CB-OD1 3.34Å; S403-T520 PolarHBondContact N-O 2.83Å; S403-T520 PolarHBondContact O-N 3.33Å; S403-T520 PolarHBondContact O-OG1 2.97Å; S403-T520 PolarHBondContact OG-OG1 3.42Å
404	S	85.4	Confident	75.2	Confident	3 Å²	3	53.1 Å²	53.1	2%	0.021	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-165.3	168.5	171.6	-169.4	0	0	0	0	111.6	L406 I466 G467 G514	S404-L406 PolarHBondContact O-N 3.29Å; S404-I466 WeakPolarHBondContact O-CA 3.4Å; S404-G467 PolarHBondContact N-O 3.28Å; S404-G467 PolarHBondContact O-N 2.85Å; S404-G514 PolarHBondContact OG-O 2.04Å
405	T	87.6	Confident	78	Confident	25 Å²	25	50.4 Å²	50.4	15%	0.153	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.4	126.9	169.9	-60.8	0	0	0	0	110.6	P412 S464 G514	T405-P412 HydrophobicContact CG2-CB 4.09Å; T405-S464 VanDerWaalsContact CG2-O 3.27Å; T405-S464 WeakPolarHBondContact CG2-O 2.99Å; T405-G514 PolarHBondContact O-N 2.77Å
406	L	88.9	Confident	80.3	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	137.9	179	-61.3	179.4	0	0	0	111.7	S404 P412 L413 Y430 I434 F460 V465 I511 F513	S404-L406 PolarHBondContact O-N 3.29Å; L406-P412 WeakPolarHBondContact O-CA 3.27Å; L406-L413 HydrophobicContact CB-CD1 3.8Å; L406-L413 HydrophobicContact CB-CG 4.47Å; L406-L413 PolarHBondContact O-N 3.41Å; L406-Y430 HydrophobicContact CD1-CD1 4.41Å; L406-I434 HydrophobicContact CD1-CD1 3.49Å; L406-I434 VanDerWaalsContact CD1-CD1 3.49Å; L406-I434 HydrophobicContact CD1-CG1 4.36Å; L406-I434 HydrophobicContact CD2-CD1 3.77Å; L406-I434 HydrophobicContact CD2-CG1 4Å; L406-I434 HydrophobicContact CG-CD1 4.27Å; L406-F460 HydrophobicContact CD1-CD1 3.98Å; L406-F460 HydrophobicContact CD1-CE1 3.77Å; L406-V465 WeakPolarHBondContact CB-O 3.23Å; L406-V465 HydrophobicContact CD1-CG1 3.79Å; L406-V465 HydrophobicContact CG-CG1 4.46Å; L406-V465 WeakPolarHBondContact CG-O 3.41Å; L406-V465 PolarHBondContact N-O 3.1Å; L406-I511 HydrophobicContact CB-CG2 4.01Å; L406-I511 HydrophobicContact CD1-CG2 4.2Å; L406-I511 HydrophobicContact CD2-CG2 4.19Å; L406-I511 HydrophobicContact CG-CG2 4.37Å; L406-F513 HydrophobicContact CD2-CD1 3.65Å; L406-F513 HydrophobicContact CD2-CE1 3.77Å; L406-F513 HydrophobicContact CD2-CG 4.44Å
407	T	89.1	Confident	81.9	Confident	9 Å²	9	53.5 Å²	53.5	6%	0.055	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	143.4	-172.9	-56.9	0	0	0	0	109.5	N410 K411 I511 Y512	T407-N410 VanDerWaalsContact CG2-CA 3.46Å; T407-K411 WeakPolarHBondContact CA-O 3.31Å; T407-K411 WeakPolarHBondContact CG2-O 3.4Å; T407-I511 WeakPolarHBondContact O-CA 3.24Å; T407-Y512 HydrophobicContact CG2-CE2 3.9Å; T407-Y512 PolarHBondContact N-O 3.45Å; T407-Y512 PolarHBondContact O-N 3.14Å
408	R	88.2	Confident	83.4	Confident	93 Å²	93	54.3 Å²	54.3	35%	0.351	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	129.8	169	-176.7	170.3	62	-170	-3.4	108.7	N410 K411 L413 D509	R408-N410 VanDerWaalsContact C-N 3.25Å; R408-N410 PolarHBondContact O-N 3.36Å; R408-K411 PolarHBondContact N-O 2.77Å; R408-K411 PolarHBondContact O-N 2.87Å; R408-L413 HydrophobicContact CB-CD2 3.83Å; R408-D509 VanDerWaalsContact CD-O 3.27Å; R408-D509 WeakPolarHBondContact CD-O 3.3Å; R408-D509 VanDerWaalsContact CD-OD1 3.25Å; R408-D509 WeakPolarHBondContact CD-OD1 3.47Å; R408-D509 WeakPolarHBondContact CG-O 3.3Å; R408-D509 VanDerWaalsContact CG-OD1 3.24Å; R408-D509 WeakPolarHBondContact CG-OD1 3.39Å; R408-D509 IonicContact NE-OD1 3.09Å
409	L	84.8	Confident	84.4	Confident	97 Å²	97	54.2 Å²	54.2	51%	0.508	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.3	44	-175.5	-60.5	172.6	0	0	0	113.2	K411 S508 D509	L409-K411 PolarHBondContact O-N 3.45Å; L409-S508 WeakPolarHBondContact CD2-O 3.29Å; L409-D509 VanDerWaalsContact CD1-OD1 3.28Å; L409-D509 WeakPolarHBondContact CD1-OD1 3.47Å; L409-D509 HydrophobicContact CD2-CB 4.46Å; L409-D509 WeakPolarHBondContact CG-OD1 3.3Å
410	N	79.1	Confident	84.8	Confident	110 Å²	110	56.6 Å²	56.6	59%	0.588	29%	0.291	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.7	21.8	-176.6	-67.6	-41.1	0	0	0	115.2	T407 R408 Y512	T407-N410 VanDerWaalsContact CG2-CA 3.46Å; R408-N410 VanDerWaalsContact C-N 3.25Å; R408-N410 PolarHBondContact O-N 3.36Å; N410-Y512 WeakPolarHBondContact CA-OH 3.41Å; N410-Y512 PolarHBondContact N-OH 3.32Å; N410-Y512 PolarHBondContact OD1-OH 2.91Å
411	K	82.7	Confident	85.1	Confident	156 Å²	156	60 Å²	60	68%	0.678	31%	0.309	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.2	128.7	170.9	-67.9	-175.8	179.4	179	0	110.5	T407 R408 L409	T407-K411 WeakPolarHBondContact CA-O 3.31Å; T407-K411 WeakPolarHBondContact CG2-O 3.4Å; R408-K411 PolarHBondContact N-O 2.77Å; R408-K411 PolarHBondContact O-N 2.87Å; L409-K411 PolarHBondContact O-N 3.45Å
412	P	85.1	Confident	85	Confident	71 Å²	71	60.2 Å²	60.2	46%	0.461	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.6	140.8	172.1	-18.9	29.8	0	0	0	110.3	T405 L406	T405-P412 HydrophobicContact CG2-CB 4.09Å; L406-P412 WeakPolarHBondContact O-CA 3.27Å
413	L	87.2	Confident	85	Confident	11 Å²	11	64.6 Å²	64.6	6%	0.058	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-72.6	146	179.7	-66.5	173.9	0	0	0	110.8	L406 R408 Y430 S464 V465 I511	L406-L413 HydrophobicContact CB-CD1 3.8Å; L406-L413 HydrophobicContact CB-CG 4.47Å; L406-L413 PolarHBondContact O-N 3.41Å; R408-L413 HydrophobicContact CB-CD2 3.83Å; L413-Y430 HydrophobicContact CD1-CD1 4.31Å; L413-Y430 HydrophobicContact CD1-CE1 3.57Å; L413-S464 CarbonylContact O-C 3.21Å; L413-S464 WeakPolarHBondContact O-CA 3.37Å; L413-V465 HydrophobicContact CB-CB 4.04Å; L413-V465 HydrophobicContact CB-CG2 3.83Å; L413-I511 HydrophobicContact CD1-CD1 4Å; L413-I511 HydrophobicContact CD1-CG1 4.07Å; L413-I511 HydrophobicContact CD1-CG2 3.92Å
414	E	85.8	Confident	85.3	Confident	179 Å²	179	63.9 Å²	63.9	84%	0.836	33%	0.329	S	S	*	.	P	Polyproline II helix	trans	-85.2	142.3	172.2	-68.3	-168.2	171.1	0	0	110.6	V465	E414-V465 WeakPolarHBondContact O-CG2 3.42Å
415	W	85.4	Confident	85.5	Confident	55 Å²	55	69.7 Å²	69.7	21%	0.208	36%	0.36	C	S	.	.	P	Polyproline II helix	trans	-63.9	138.2	179.7	-177.5	-97.3	0	0	0	112.3	D417 L419 L420 F460 S461 R462 V465	W415-D417 PolarHBondContact NE1-OD1 2.95Å; W415-L419 HydrophobicContact CE3-CD1 4.16Å; W415-L419 HydrophobicContact CH2-CB 4.04Å; W415-L419 HydrophobicContact CZ2-CB 4.37Å; W415-L419 HydrophobicContact CZ3-CB 4.26Å; W415-L419 HydrophobicContact CZ3-CD1 4.15Å; W415-L420 HydrophobicContact CH2-CD2 4.06Å; W415-L420 HydrophobicContact CZ2-CD1 4.43Å; W415-L420 HydrophobicContact CZ2-CD2 3.68Å; W415-L420 HydrophobicContact CZ2-CG 3.79Å; W415-F460 HydrophobicContact CH2-CB 4.16Å; W415-F460 HydrophobicContact CZ3-CB 3.9Å; W415-S461 WeakPolarHBondContact CZ3-O 3.4Å; W415-R462 HydrophobicContact CD2-CB 4.33Å; W415-R462 HydrophobicContact CD2-CG 3.61Å; W415-R462 HydrophobicContact CE3-CB 4.48Å; W415-R462 HydrophobicContact CE3-CG 4.14Å; W415-R462 HydrophobicContact CG-CG 4.09Å; W415-R462 HydrophobicContact CH2-CG 3.97Å; W415-R462 HydrophobicContact CZ2-CG 3.43Å; W415-R462 VanDerWaalsContact CZ2-CG 3.43Å; W415-R462 HydrophobicContact CZ3-CG 4.31Å; W415-V465 HydrophobicContact CE3-CG2 4.16Å
416	N	87.3	Confident	85.6	Confident	75 Å²	75	70.5 Å²	70.5	40%	0.401	36%	0.363	S	S	.	.			trans	-132	129.5	170.5	-175.5	-37.1	0	0	0	108.5	S418 L419 L426	N416-S418 PolarHBondContact O-N 2.83Å; N416-S418 WeakPolarHBondContact OD1-CB 3.09Å; N416-S418 PolarHBondContact OD1-N 3.5Å; N416-S418 PolarHBondContact OD1-OG 3.07Å; N416-L419 VanDerWaalsContact O-CB 3.28Å; N416-L419 WeakPolarHBondContact O-CB 3.21Å; N416-L419 WeakPolarHBondContact O-CG 3.39Å; N416-L419 PolarHBondContact O-N 3.42Å; N416-L426 HydrophobicContact CB-CD2 3.56Å
417	D	85.7	Confident	85.7	Confident	89 Å²	89	72 Å²	72	48%	0.476	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-62.2	-16.9	-177.7	-69.8	-24.2	0	0	0	113.7	W415 L419 L420 R462	W415-D417 PolarHBondContact NE1-OD1 2.95Å; D417-L419 PolarHBondContact O-N 2.55Å; D417-L420 WeakPolarHBondContact O-CB 3.48Å; D417-L420 PolarHBondContact O-N 3.38Å; D417-R462 IonicContact OD1-CZ 2.9Å; D417-R462 IonicContact OD1-NE 3.09Å; D417-R462 IonicContact OD1-NH2 2.78Å; D417-R462 PolarHBondContact OD1-NH2 2.95Å; D417-R462 IonicContact OD2-NH2 3.94Å; D417-R462 PolarHBondContact OD2-NH2 2.9Å
418	S	89.7	Confident	85.7	Confident	49 Å²	49	78.5 Å²	78.5	34%	0.343	39%	0.393	S	S	.	.	G	3₁₀ helix	trans	-59.8	-25	170.5	-47.9	0	0	0	0	112	N416 L420 D421 S424	N416-S418 PolarHBondContact O-N 2.83Å; N416-S418 WeakPolarHBondContact OD1-CB 3.09Å; N416-S418 PolarHBondContact OD1-N 3.5Å; N416-S418 PolarHBondContact OD1-OG 3.07Å; S418-L420 PolarHBondContact O-N 2.72Å; S418-D421 PolarHBondContact O-N 2.95Å; S418-S424 WeakPolarHBondContact O-CB 3.34Å; S418-S424 PolarHBondContact O-OG 2.9Å
419	L	85.7	Confident	85.8	Confident	3 Å²	3	77.6 Å²	77.6	2%	0.016	40%	0.395	C	S	.	.	G	3₁₀ helix	trans	-69.5	-6.1	174.6	-62.5	174.3	0	0	0	113.8	W415 N416 D417 L426 Y427 Y430 F460 V465	W415-L419 HydrophobicContact CE3-CD1 4.16Å; W415-L419 HydrophobicContact CH2-CB 4.04Å; W415-L419 HydrophobicContact CZ2-CB 4.37Å; W415-L419 HydrophobicContact CZ3-CB 4.26Å; W415-L419 HydrophobicContact CZ3-CD1 4.15Å; N416-L419 VanDerWaalsContact O-CB 3.28Å; N416-L419 WeakPolarHBondContact O-CB 3.21Å; N416-L419 WeakPolarHBondContact O-CG 3.39Å; N416-L419 PolarHBondContact O-N 3.42Å; D417-L419 PolarHBondContact O-N 2.55Å; L419-L426 HydrophobicContact CD2-CD2 3.99Å; L419-L426 HydrophobicContact CD2-CG 3.86Å; L419-L426 HydrophobicContact CG-CD2 3.99Å; L419-L426 HydrophobicContact CG-CG 4.42Å; L419-Y427 VanDerWaalsContact O-CD2 3.3Å; L419-Y427 WeakPolarHBondContact O-CD2 3.47Å; L419-Y430 HydrophobicContact CD1-CD1 4.21Å; L419-Y430 HydrophobicContact CD1-CE1 4.09Å; L419-Y430 HydrophobicContact CD2-CD1 3.61Å; L419-Y430 HydrophobicContact CD2-CE1 4.07Å; L419-Y430 HydrophobicContact CD2-CG 4.05Å; L419-F460 HydrophobicContact CB-CB 4.08Å; L419-F460 HydrophobicContact CB-CD2 4.16Å; L419-F460 HydrophobicContact CB-CG 4.27Å; L419-F460 HydrophobicContact CD1-CB 4.46Å; L419-F460 HydrophobicContact CD2-CD2 4.03Å; L419-F460 HydrophobicContact CD2-CE2 4.22Å; L419-F460 HydrophobicContact CD2-CG 4.28Å; L419-V465 HydrophobicContact CD1-CB 4.43Å; L419-V465 HydrophobicContact CD1-CG1 3.61Å; L419-V465 HydrophobicContact CD1-CG2 3.85Å
420	L	78.5	Confident	86.2	Confident	88 Å²	88	73.8 Å²	73.8	46%	0.461	37%	0.374	S	S	.	.	G	3₁₀ helix	trans	-85.4	-18.8	169.4	-62.1	173.1	0	0	0	112.5	W415 D417 S418 P422	W415-L420 HydrophobicContact CH2-CD2 4.06Å; W415-L420 HydrophobicContact CZ2-CD1 4.43Å; W415-L420 HydrophobicContact CZ2-CD2 3.68Å; W415-L420 HydrophobicContact CZ2-CG 3.79Å; D417-L420 WeakPolarHBondContact O-CB 3.48Å; D417-L420 PolarHBondContact O-N 3.38Å; S418-L420 PolarHBondContact O-N 2.72Å; L420-P422 WeakPolarHBondContact O-CD 3.32Å
421	D	81.7	Confident	86.8	Confident	72 Å²	72	69.3 Å²	69.3	39%	0.385	35%	0.351	S	S	.	.			trans	-101.8	108.2	179.9	177.4	10.6	0	0	0	109.9	S418 N423 S424 Y427	S418-D421 PolarHBondContact O-N 2.95Å; D421-N423 PolarHBondContact O-N 2.68Å; D421-N423 VanDerWaalsContact O-N 3.09Å; D421-N423 WeakPolarHBondContact OD1-CB 3.37Å; D421-N423 PolarHBondContact OD1-N 3.07Å; D421-S424 WeakPolarHBondContact O-CB 3.37Å; D421-S424 PolarHBondContact O-N 2.81Å; D421-S424 PolarHBondContact O-OG 3.39Å; D421-Y427 WeakPolarHBondContact O-CB 3.43Å
422	P	79.6	Confident	87.2	Confident	48 Å²	48	65.5 Å²	65.5	31%	0.312	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-23.2	177.7	-25	35.1	0	0	0	114.5	P227 L420 Y427	P227-P422 HydrophobicContact CG-CG 4.29Å; L420-P422 WeakPolarHBondContact O-CD 3.32Å; P422-Y427 HydrophobicContact CB-CD1 4.21Å; P422-Y427 HydrophobicContact CB-CE1 4.02Å; P422-Y427 HydrophobicContact CB-CE2 4.49Å; P422-Y427 HydrophobicContact CG-CE2 4.42Å; P422-Y427 WeakPolarHBondContact O-CD1 3.37Å
423	N	85.2	Confident	87.6	Confident	92 Å²	92	64 Å²	64	49%	0.492	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-9.2	179.4	-62.8	-60.4	0	0	0	113.2	D421	D421-N423 PolarHBondContact O-N 2.68Å; D421-N423 VanDerWaalsContact O-N 3.09Å; D421-N423 WeakPolarHBondContact OD1-CB 3.37Å; D421-N423 PolarHBondContact OD1-N 3.07Å
424	S	89.2	Confident	87.9	Confident	16 Å²	16	63.6 Å²	63.6	11%	0.112	33%	0.326	C	S	.	.	S	Bend	trans	-66.7	145.4	178.5	79.4	0	0	0	0	110.7	S418 D421 L426 Y427 R428	S418-S424 WeakPolarHBondContact O-CB 3.34Å; S418-S424 PolarHBondContact O-OG 2.9Å; D421-S424 WeakPolarHBondContact O-CB 3.37Å; D421-S424 PolarHBondContact O-N 2.81Å; D421-S424 PolarHBondContact O-OG 3.39Å; S424-L426 PolarHBondContact O-N 3.41Å; S424-Y427 PolarHBondContact O-N 3.14Å; S424-Y427 VanDerWaalsContact OG-CB 3.27Å; S424-Y427 WeakPolarHBondContact OG-CB 3.26Å; S424-Y427 PolarHBondContact OG-N 2.88Å; S424-R428 PolarHBondContact O-N 3.33Å
425	D	90	Very high	88.2	Confident	126 Å²	126	55.9 Å²	55.9	67%	0.674	29%	0.291	S	S	*	.	H	α-helix	trans	-59.9	-31.2	176.1	-70.1	-39.9	0	0	0	111.5	R428 D429	D425-R428 IonicContact OD1-NH1 3.82Å; D425-R428 PolarHBondContact OD1-NH1 3.39Å; D425-R428 VanDerWaalsContact OD1-NH1 3.09Å; D425-D429 WeakPolarHBondContact O-CB 3.33Å; D425-D429 PolarHBondContact O-N 2.82Å
426	L	89	Confident	88.5	Confident	41 Å²	41	57.1 Å²	57.1	22%	0.215	30%	0.302	C	S	.	.	H	α-helix	trans	-69.9	-44.4	177.8	-170.1	69.2	0	0	0	112.2	N416 L419 S424 D429 Y430	N416-L426 HydrophobicContact CB-CD2 3.56Å; L419-L426 HydrophobicContact CD2-CD2 3.99Å; L419-L426 HydrophobicContact CD2-CG 3.86Å; L419-L426 HydrophobicContact CG-CD2 3.99Å; L419-L426 HydrophobicContact CG-CG 4.42Å; S424-L426 PolarHBondContact O-N 3.41Å; L426-D429 PolarHBondContact O-N 3.26Å; L426-Y430 HydrophobicContact CD1-CD2 4.02Å; L426-Y430 HydrophobicContact CD1-CE2 3.5Å; L426-Y430 HydrophobicContact CG-CD2 4.43Å; L426-Y430 HydrophobicContact CG-CE2 4.23Å; L426-Y430 WeakPolarHBondContact O-CB 3.25Å; L426-Y430 PolarHBondContact O-N 3.11Å
427	Y	90.9	Very high	88.6	Confident	33 Å²	33	53.9 Å²	53.9	13%	0.129	29%	0.285	C	S	.	.	H	α-helix	trans	-61.8	-46.8	176.2	-176	-76.1	0	0	0	110.7	L419 D421 P422 S424 Y430 S431 F460	L419-Y427 VanDerWaalsContact O-CD2 3.3Å; L419-Y427 WeakPolarHBondContact O-CD2 3.47Å; D421-Y427 WeakPolarHBondContact O-CB 3.43Å; P422-Y427 HydrophobicContact CB-CD1 4.21Å; P422-Y427 HydrophobicContact CB-CE1 4.02Å; P422-Y427 HydrophobicContact CB-CE2 4.49Å; P422-Y427 HydrophobicContact CG-CE2 4.42Å; P422-Y427 WeakPolarHBondContact O-CD1 3.37Å; S424-Y427 PolarHBondContact O-N 3.14Å; S424-Y427 VanDerWaalsContact OG-CB 3.27Å; S424-Y427 WeakPolarHBondContact OG-CB 3.26Å; S424-Y427 PolarHBondContact OG-N 2.88Å; Y427-Y430 PolarHBondContact O-N 2.81Å; Y427-S431 WeakPolarHBondContact CD1-OG 3.49Å; Y427-S431 VanDerWaalsContact CE1-OG 3.24Å; Y427-S431 WeakPolarHBondContact CE1-OG 3.45Å; Y427-S431 VanDerWaalsContact O-CB 3.23Å; Y427-S431 WeakPolarHBondContact O-CB 3.31Å; Y427-S431 PolarHBondContact O-N 3.3Å; Y427-S431 PolarHBondContact O-OG 2.7Å; Y427-F460 HydrophobicContact CD1-CE2 4.33Å; Y427-F460 AromaticContact CD2-CD2 3.56Å; Y427-F460 HydrophobicContact CD2-CD2 3.56Å; Y427-F460 AromaticContact CD2-CE2 3.54Å; Y427-F460 HydrophobicContact CD2-CE2 3.54Å; Y427-F460 HydrophobicContact CE1-CE2 4.38Å; Y427-F460 AromaticContact CE2-CD2 3.56Å; Y427-F460 HydrophobicContact CE2-CD2 3.56Å; Y427-F460 AromaticContact CE2-CE2 3.62Å; Y427-F460 HydrophobicContact CE2-CE2 3.62Å; Y427-F460 HydrophobicContact CG-CD2 4.36Å; Y427-F460 AromaticContact CG-CE2 3.9Å; Y427-F460 HydrophobicContact CG-CE2 3.9Å
428	R	88.9	Confident	88.8	Confident	145 Å²	145	49.6 Å²	49.6	55%	0.547	26%	0.262	S	S	.	.	H	α-helix	trans	-61.3	-44.5	177.3	-94.9	174.7	53.5	-124.4	-7.5	112.2	S424 D425 T432	S424-R428 PolarHBondContact O-N 3.33Å; D425-R428 IonicContact OD1-NH1 3.82Å; D425-R428 PolarHBondContact OD1-NH1 3.39Å; D425-R428 VanDerWaalsContact OD1-NH1 3.09Å; R428-T432 VanDerWaalsContact O-CB 3.32Å; R428-T432 WeakPolarHBondContact O-CB 3.42Å; R428-T432 PolarHBondContact O-N 3.28Å; R428-T432 PolarHBondContact O-OG1 3.19Å
429	D	91.4	Very high	88.7	Confident	74 Å²	74	49.5 Å²	49.5	40%	0.396	26%	0.257	S	S	.	.	H	α-helix	trans	-60.2	-51.4	177.6	178.5	44.6	0	0	0	111.5	D425 L426 S431 T432 Q433	D425-D429 WeakPolarHBondContact O-CB 3.33Å; D425-D429 PolarHBondContact O-N 2.82Å; L426-D429 PolarHBondContact O-N 3.26Å; D429-S431 VanDerWaalsContact C-N 3.35Å; D429-S431 PolarHBondContact O-N 2.8Å; D429-T432 PolarHBondContact O-N 3.15Å; D429-Q433 VanDerWaalsContact CG-NE2 3.28Å; D429-Q433 WeakPolarHBondContact O-CG 3.47Å; D429-Q433 PolarHBondContact O-N 3.17Å; D429-Q433 PolarHBondContact OD1-NE2 2.85Å; D429-Q433 PolarHBondContact OD2-NE2 3.27Å
430	Y	92	Very high	88.7	Confident	16 Å²	16	54 Å²	54	6%	0.063	28%	0.278	C	S	.	.	H	α-helix	trans	-65.3	-41.1	-178.9	-79.5	-152.9	0	0	0	111.5	L406 L413 L419 L426 Y427 T432 Q433 I434 F460 V465 I511	L406-Y430 HydrophobicContact CD1-CD1 4.41Å; L413-Y430 HydrophobicContact CD1-CD1 4.31Å; L413-Y430 HydrophobicContact CD1-CE1 3.57Å; L419-Y430 HydrophobicContact CD1-CD1 4.21Å; L419-Y430 HydrophobicContact CD1-CE1 4.09Å; L419-Y430 HydrophobicContact CD2-CD1 3.61Å; L419-Y430 HydrophobicContact CD2-CE1 4.07Å; L419-Y430 HydrophobicContact CD2-CG 4.05Å; L426-Y430 HydrophobicContact CD1-CD2 4.02Å; L426-Y430 HydrophobicContact CD1-CE2 3.5Å; L426-Y430 HydrophobicContact CG-CD2 4.43Å; L426-Y430 HydrophobicContact CG-CE2 4.23Å; L426-Y430 WeakPolarHBondContact O-CB 3.25Å; L426-Y430 PolarHBondContact O-N 3.11Å; Y427-Y430 PolarHBondContact O-N 2.81Å; Y430-T432 VanDerWaalsContact C-N 3.34Å; Y430-T432 PolarHBondContact O-N 2.84Å; Y430-Q433 PolarHBondContact O-N 2.75Å; Y430-I434 WeakPolarHBondContact O-CD1 3.5Å; Y430-I434 VanDerWaalsContact O-CG1 3.25Å; Y430-I434 WeakPolarHBondContact O-CG1 3.12Å; Y430-I434 PolarHBondContact O-N 2.92Å; Y430-F460 VanDerWaalsContact CB-CZ 3.49Å; Y430-F460 HydrophobicContact CD1-CE1 4.24Å; Y430-V465 HydrophobicContact CD1-CG1 4.41Å; Y430-V465 HydrophobicContact CE1-CG1 4.37Å; Y430-I511 HydrophobicContact CD1-CD1 4.18Å; Y430-I511 HydrophobicContact CD2-CD1 3.3Å; Y430-I511 HydrophobicContact CE1-CD1 4.24Å; Y430-I511 HydrophobicContact CE2-CD1 3.36Å; Y430-I511 HydrophobicContact CG-CD1 3.74Å
431	S	91.4	Very high	89	Confident	17 Å²	17	49.9 Å²	49.9	12%	0.119	26%	0.256	C	S	.	.	H	α-helix	trans	-64.8	-41.7	179.8	-57.9	0	0	0	0	111.7	Y427 D429 I434 C435 F460	Y427-S431 WeakPolarHBondContact CD1-OG 3.49Å; Y427-S431 VanDerWaalsContact CE1-OG 3.24Å; Y427-S431 WeakPolarHBondContact CE1-OG 3.45Å; Y427-S431 VanDerWaalsContact O-CB 3.23Å; Y427-S431 WeakPolarHBondContact O-CB 3.31Å; Y427-S431 PolarHBondContact O-N 3.3Å; Y427-S431 PolarHBondContact O-OG 2.7Å; D429-S431 VanDerWaalsContact C-N 3.35Å; D429-S431 PolarHBondContact O-N 2.8Å; S431-I434 PolarHBondContact O-N 3.44Å; S431-C435 PolarHBondContact O-N 2.8Å; S431-F460 WeakPolarHBondContact OG-CE2 3.13Å
432	T	92	Very high	88.8	Confident	75 Å²	75	46.5 Å²	46.5	46%	0.46	24%	0.238	S	C	.	.	H	α-helix	trans	-61	-50	176.1	-55.7	0	0	0	0	110.3	R428 D429 Y430 I434 C435 D436	R428-T432 VanDerWaalsContact O-CB 3.32Å; R428-T432 WeakPolarHBondContact O-CB 3.42Å; R428-T432 PolarHBondContact O-N 3.28Å; R428-T432 PolarHBondContact O-OG1 3.19Å; D429-T432 PolarHBondContact O-N 3.15Å; Y430-T432 VanDerWaalsContact C-N 3.34Å; Y430-T432 PolarHBondContact O-N 2.84Å; T432-I434 VanDerWaalsContact C-N 3.33Å; T432-I434 PolarHBondContact O-N 3.02Å; T432-C435 PolarHBondContact O-N 2.95Å; T432-D436 VanDerWaalsContact O-CB 3.29Å; T432-D436 WeakPolarHBondContact O-CB 3.33Å; T432-D436 PolarHBondContact O-N 3.35Å
433	Q	93.3	Very high	88.5	Confident	41 Å²	41	48.8 Å²	48.8	19%	0.192	25%	0.248	C	C	.	.	H	α-helix	trans	-62	-38.4	-179.2	-71.7	-176.3	60.8	0	0	113.1	D429 Y430 L437 I511	D429-Q433 VanDerWaalsContact CG-NE2 3.28Å; D429-Q433 WeakPolarHBondContact O-CG 3.47Å; D429-Q433 PolarHBondContact O-N 3.17Å; D429-Q433 PolarHBondContact OD1-NE2 2.85Å; D429-Q433 PolarHBondContact OD2-NE2 3.27Å; Y430-Q433 PolarHBondContact O-N 2.75Å; Q433-L437 VanDerWaalsContact O-CB 3.3Å; Q433-L437 WeakPolarHBondContact O-CB 3.17Å; Q433-L437 PolarHBondContact O-N 2.71Å; Q433-I511 HydrophobicContact CB-CB 4.33Å; Q433-I511 VanDerWaalsContact OE1-N 3.09Å
434	I	92.4	Very high	87.6	Confident	2 Å²	2	47.4 Å²	47.4	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-68.7	-46.2	178.2	-69.7	164.3	0	0	0	111.3	L406 Y430 S431 T432 L437 L438 V457 F460 A469 F513	L406-I434 HydrophobicContact CD1-CD1 3.49Å; L406-I434 VanDerWaalsContact CD1-CD1 3.49Å; L406-I434 HydrophobicContact CD1-CG1 4.36Å; L406-I434 HydrophobicContact CD2-CD1 3.77Å; L406-I434 HydrophobicContact CD2-CG1 4Å; L406-I434 HydrophobicContact CG-CD1 4.27Å; Y430-I434 WeakPolarHBondContact O-CD1 3.5Å; Y430-I434 VanDerWaalsContact O-CG1 3.25Å; Y430-I434 WeakPolarHBondContact O-CG1 3.12Å; Y430-I434 PolarHBondContact O-N 2.92Å; S431-I434 PolarHBondContact O-N 3.44Å; T432-I434 VanDerWaalsContact C-N 3.33Å; T432-I434 PolarHBondContact O-N 3.02Å; I434-L437 WeakPolarHBondContact O-CB 3.09Å; I434-L437 PolarHBondContact O-N 2.87Å; I434-L438 HydrophobicContact CG2-CD1 4.22Å; I434-L438 WeakPolarHBondContact O-CG 3.3Å; I434-L438 PolarHBondContact O-N 2.9Å; I434-V457 HydrophobicContact CB-CG2 4.43Å; I434-V457 HydrophobicContact CG2-CG2 4.32Å; I434-F460 HydrophobicContact CD1-CE1 3.55Å; I434-F460 HydrophobicContact CD1-CZ 4.09Å; I434-A469 HydrophobicContact CG2-CB 4.12Å; I434-F513 HydrophobicContact CG2-CE1 4.39Å; I434-F513 HydrophobicContact CG2-CE2 3.88Å; I434-F513 HydrophobicContact CG2-CZ 3.48Å; I434-F513 VanDerWaalsContact CG2-CZ 3.48Å
435	C	93.3	Very high	86.2	Confident	16 Å²	16	47.8 Å²	47.8	11%	0.108	25%	0.247	C	C	.	.	H	α-helix	trans	-68.8	-38	178.7	-83.2	0	0	0	0	112.2	S431 T432 L437 L438 L439 C455	S431-C435 PolarHBondContact O-N 2.8Å; T432-C435 PolarHBondContact O-N 2.95Å; C435-L437 VanDerWaalsContact C-N 3.27Å; C435-L437 PolarHBondContact O-N 2.84Å; C435-L438 PolarHBondContact O-N 3.35Å; C435-L439 VanDerWaalsContact O-CB 3.3Å; C435-L439 WeakPolarHBondContact O-CB 3.5Å; C435-L439 WeakPolarHBondContact O-CG 3.39Å; C435-L439 PolarHBondContact O-N 3.04Å; C435-C455 WeakPolarHBondContact CA-SG 3.25Å; C435-C455 HydrophobicContact CB-CB 3.64Å; C435-C455 WeakPolarHBondContact CB-SG 3.32Å; C435-C455 WeakPolarHBondContact SG-CB 3.28Å; C435-C455 PolarHBondContact SG-O 3.15Å; C435-C455 CovalentContact SG-SG 2.06Å; C435-C455 PolarHBondContact SG-SG 3.01Å
436	D	90.5	Very high	84.3	Confident	81 Å²	81	51.6 Å²	51.6	43%	0.433	25%	0.253	S	S	.	.	H	α-helix	trans	-58.1	-43.3	171.8	-75.8	-14.9	0	0	0	110.9	T432 H440	T432-D436 VanDerWaalsContact O-CB 3.29Å; T432-D436 WeakPolarHBondContact O-CB 3.33Å; T432-D436 PolarHBondContact O-N 3.35Å; D436-H440 VanDerWaalsContact O-CB 3.25Å; D436-H440 WeakPolarHBondContact O-CB 3.35Å; D436-H440 PolarHBondContact O-N 3.08Å; D436-H440 PolarHBondContact O-ND1 3.25Å
437	L	91.1	Very high	82.5	Confident	7 Å²	7	50.9 Å²	50.9	4%	0.037	25%	0.25	C	C	.	.	H	α-helix	trans	-61.5	-50	176.4	176.7	140	0	0	0	112.1	Q433 I434 C435 H440 S441 V496 Y499 I500 I503 Y512 F513	Q433-L437 VanDerWaalsContact O-CB 3.3Å; Q433-L437 WeakPolarHBondContact O-CB 3.17Å; Q433-L437 PolarHBondContact O-N 2.71Å; I434-L437 WeakPolarHBondContact O-CB 3.09Å; I434-L437 PolarHBondContact O-N 2.87Å; C435-L437 VanDerWaalsContact C-N 3.27Å; C435-L437 PolarHBondContact O-N 2.84Å; L437-H440 PolarHBondContact O-N 3.25Å; L437-S441 WeakPolarHBondContact O-CB 3.1Å; L437-S441 PolarHBondContact O-N 3.07Å; L437-S441 PolarHBondContact O-OG 3.02Å; L437-V496 HydrophobicContact CD2-CG1 4.47Å; L437-Y499 HydrophobicContact CG-CD1 4.18Å; L437-Y499 HydrophobicContact CG-CE1 4.34Å; L437-I500 HydrophobicContact CD1-CG1 4.32Å; L437-I503 HydrophobicContact CD1-CD1 3.5Å; L437-I503 HydrophobicContact CG-CD1 4.36Å; L437-Y512 VanDerWaalsContact CD1-CB 3.42Å; L437-F513 HydrophobicContact CD2-CD2 3.75Å; L437-F513 HydrophobicContact CD2-CE2 3.98Å
438	L	89.6	Confident	80.3	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-65.1	-45.7	-178.4	-70.6	175.1	0	0	0	111.7	V402 I434 C435 H440 S441 I442 A469 L471 V496 F513	V402-L438 HydrophobicContact CB-CD1 4.4Å; V402-L438 HydrophobicContact CG1-CD2 4.2Å; V402-L438 HydrophobicContact CG2-CD1 4.4Å; V402-L438 HydrophobicContact CG2-CD2 4.27Å; I434-L438 HydrophobicContact CG2-CD1 4.22Å; I434-L438 WeakPolarHBondContact O-CG 3.3Å; I434-L438 PolarHBondContact O-N 2.9Å; C435-L438 PolarHBondContact O-N 3.35Å; L438-H440 PolarHBondContact O-N 3.06Å; L438-S441 WeakPolarHBondContact O-CB 3.02Å; L438-S441 PolarHBondContact O-N 2.99Å; L438-I442 VanDerWaalsContact O-CG1 3.3Å; L438-I442 WeakPolarHBondContact O-CG1 3.38Å; L438-I442 PolarHBondContact O-N 2.95Å; L438-I442 VanDerWaalsContact O-N 3.08Å; L438-A469 HydrophobicContact CD1-CB 3.61Å; L438-L471 HydrophobicContact CB-CD2 4.05Å; L438-L471 HydrophobicContact CD1-CD1 4.42Å; L438-L471 HydrophobicContact CD1-CD2 4.36Å; L438-L471 HydrophobicContact CD1-CG 4.38Å; L438-V496 HydrophobicContact CD2-CG1 4.4Å; L438-V496 HydrophobicContact CD2-CG2 3.63Å; L438-F513 HydrophobicContact CD1-CE2 4.12Å; L438-F513 HydrophobicContact CD1-CZ 4.36Å; L438-F513 HydrophobicContact CD2-CD2 4.38Å; L438-F513 HydrophobicContact CD2-CE2 3.71Å; L438-F513 HydrophobicContact CG-CE2 3.91Å
439	L	88.2	Confident	78.4	Confident	47 Å²	47	52 Å²	52	25%	0.246	26%	0.262	C	S	.	.	H	α-helix	trans	-64.2	-41	178.5	-67.4	173.4	0	0	0	111.7	C435 N443 V453 C455	C435-L439 VanDerWaalsContact O-CB 3.3Å; C435-L439 WeakPolarHBondContact O-CB 3.5Å; C435-L439 WeakPolarHBondContact O-CG 3.39Å; C435-L439 PolarHBondContact O-N 3.04Å; L439-N443 WeakPolarHBondContact O-CB 3.31Å; L439-N443 VanDerWaalsContact O-CG 3.29Å; L439-N443 PolarHBondContact O-N 2.85Å; L439-N443 PolarHBondContact O-ND2 3.12Å; L439-V453 HydrophobicContact CD2-CB 4.11Å; L439-V453 HydrophobicContact CD2-CG1 3.9Å; L439-V453 VanDerWaalsContact CD2-O 3.23Å; L439-V453 WeakPolarHBondContact CD2-O 3.23Å; L439-C455 HydrophobicContact CD1-CB 4.22Å; L439-C455 HydrophobicContact CD2-CB 4.09Å; L439-C455 HydrophobicContact CG-CB 3.97Å
440	H	85.1	Confident	76.2	Confident	98 Å²	98	53.2 Å²	53.2	45%	0.454	27%	0.268	S	S	.	.	H	α-helix	trans	-66.6	-40.4	174.2	-81.1	75.8	0	0	0	112.2	D436 L437 L438 I442 N443 S444 Y499	D436-H440 VanDerWaalsContact O-CB 3.25Å; D436-H440 WeakPolarHBondContact O-CB 3.35Å; D436-H440 PolarHBondContact O-N 3.08Å; D436-H440 PolarHBondContact O-ND1 3.25Å; L437-H440 PolarHBondContact O-N 3.25Å; L438-H440 PolarHBondContact O-N 3.06Å; H440-I442 VanDerWaalsContact C-N 3.3Å; H440-I442 PolarHBondContact O-N 2.72Å; H440-N443 PolarHBondContact O-N 2.91Å; H440-S444 WeakPolarHBondContact O-CB 3.44Å; H440-S444 PolarHBondContact O-N 3.43Å; H440-S444 PolarHBondContact O-OG 3.26Å; H440-Y499 HydrophobicContact CB-CE1 3.78Å; H440-Y499 HydrophobicContact CB-CE2 4.2Å
441	S	84.1	Confident	74.4	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-56.7	-47.5	178.3	-57.8	0	0	0	0	110.9	L437 L438 S444 T445 Y499	L437-S441 WeakPolarHBondContact O-CB 3.1Å; L437-S441 PolarHBondContact O-N 3.07Å; L437-S441 PolarHBondContact O-OG 3.02Å; L438-S441 WeakPolarHBondContact O-CB 3.02Å; L438-S441 PolarHBondContact O-N 2.99Å; S441-S444 PolarHBondContact O-N 2.92Å; S441-S444 PolarHBondContact O-OG 2.87Å; S441-T445 PolarHBondContact O-N 3.41Å; S441-T445 PolarHBondContact O-OG1 3.13Å; S441-Y499 WeakPolarHBondContact OG-CB 3.05Å; S441-Y499 VanDerWaalsContact OG-CD1 3.25Å; S441-Y499 WeakPolarHBondContact OG-CD1 3.47Å
442	I	77.2	Confident	73.3	Confident	2 Å²	2	57.3 Å²	57.3	1%	0.01	29%	0.289	C	S	.	.	H	α-helix	trans	-66.5	-46.4	-179.9	-70.7	172.4	0	0	0	111.2	L438 H440 S444 I447 V453 L471	L438-I442 VanDerWaalsContact O-CG1 3.3Å; L438-I442 WeakPolarHBondContact O-CG1 3.38Å; L438-I442 PolarHBondContact O-N 2.95Å; L438-I442 VanDerWaalsContact O-N 3.08Å; H440-I442 VanDerWaalsContact C-N 3.3Å; H440-I442 PolarHBondContact O-N 2.72Å; I442-S444 VanDerWaalsContact C-N 3.3Å; I442-S444 PolarHBondContact O-N 3.48Å; I442-I447 HydrophobicContact CB-CD1 4.31Å; I442-I447 HydrophobicContact CG2-CB 4.41Å; I442-I447 HydrophobicContact CG2-CD1 3.4Å; I442-I447 HydrophobicContact CG2-CG1 4.45Å; I442-V453 HydrophobicContact CD1-CG1 3.9Å; I442-V453 HydrophobicContact CG2-CB 4.49Å; I442-V453 HydrophobicContact CG2-CG2 3.89Å; I442-L471 HydrophobicContact CD1-CD1 3.68Å; I442-L471 HydrophobicContact CD1-CD2 3.92Å; I442-L471 HydrophobicContact CD1-CG 4.37Å
443	N	73.2	Confident	72.5	Confident	95 Å²	95	54.9 Å²	54.9	51%	0.508	27%	0.274	S	S	.	.	H	α-helix	trans	-68.8	-26.5	179	-75	-26.4	0	0	0	113.5	L439 H440	L439-N443 WeakPolarHBondContact O-CB 3.31Å; L439-N443 VanDerWaalsContact O-CG 3.29Å; L439-N443 PolarHBondContact O-N 2.85Å; L439-N443 PolarHBondContact O-ND2 3.12Å; H440-N443 PolarHBondContact O-N 2.91Å
444	S	67.6	Low	71.9	Confident	63 Å²	63	56.7 Å²	56.7	44%	0.441	29%	0.288	S	S	.	.	H	α-helix	trans	-80	-38	-174.9	68.9	0	0	0	0	113.8	H440 S441 I442	H440-S444 WeakPolarHBondContact O-CB 3.44Å; H440-S444 PolarHBondContact O-N 3.43Å; H440-S444 PolarHBondContact O-OG 3.26Å; S441-S444 PolarHBondContact O-N 2.92Å; S441-S444 PolarHBondContact O-OG 2.87Å; I442-S444 VanDerWaalsContact C-N 3.3Å; I442-S444 PolarHBondContact O-N 3.48Å
445	T	59.6	Low	71.7	Confident	24 Å²	24	57.7 Å²	57.7	15%	0.147	30%	0.295	C	S	.	.	H	α-helix	trans	-80.3	-65.3	-165.1	36	0	0	0	0	111.8	S441 A495 E498	S441-T445 PolarHBondContact O-N 3.41Å; S441-T445 PolarHBondContact O-OG1 3.13Å; T445-A495 HydrophobicContact CG2-CB 3.95Å; T445-A495 WeakPolarHBondContact OG1-CB 3.45Å; T445-E498 HydrophobicContact CG2-CB 4.32Å; T445-E498 VanDerWaalsContact CG2-OE2 3.29Å; T445-E498 WeakPolarHBondContact CG2-OE2 3.49Å
446	Y	50.6	Low	71.4	Confident	206 Å²	206	60.2 Å²	60.2	81%	0.808	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-151.4	0.2	-175.8	-75.8	-81.5	0	0	0	115	K448	Y446-K448 VanDerWaalsContact C-N 3.26Å; Y446-K448 PolarHBondContact O-N 3.06Å
447	I	50.7	Low	71.3	Confident	27 Å²	27	57.3 Å²	57.3	14%	0.138	30%	0.295	C	S	.	.			trans	-93	60.8	-175.1	-54.2	165	0	0	0	109.2	I442 I451 V487	I442-I447 HydrophobicContact CB-CD1 4.31Å; I442-I447 HydrophobicContact CG2-CB 4.41Å; I442-I447 HydrophobicContact CG2-CD1 3.4Å; I442-I447 HydrophobicContact CG2-CG1 4.45Å; I447-I451 HydrophobicContact CG2-CB 3.86Å; I447-I451 HydrophobicContact CG2-CD1 3.54Å; I447-I451 HydrophobicContact CG2-CG1 3.7Å; I447-V487 HydrophobicContact CD1-CG2 4.14Å
448	K	44.5	Very low	70.7	Confident	190 Å²	190	61.6 Å²	61.6	83%	0.826	32%	0.322	S	S	*	.			trans	-83	0.5	172	-84.3	-172.8	176.8	177	0	113.4	Y446	Y446-K448 VanDerWaalsContact C-N 3.26Å; Y446-K448 PolarHBondContact O-N 3.06Å
449	G	49.5	Very low	70.2	Confident	11 Å²	11	62.2 Å²	62.2	11%	0.113	33%	0.328	C	S	.	.	S	Bend	trans	-94	140.4	167.9	0	0	0	0	0	108.8	I451	G449-I451 PolarHBondContact O-N 3.47Å
450	I	43.5	Very low	70	Confident	100 Å²	100	60.7 Å²	60.7	51%	0.513	32%	0.319	S	S	.	.			trans	-58.4	100.7	-172	-48.5	164.1	0	0	0	108.8	S477	I450-S477 WeakPolarHBondContact CB-O 3.06Å; I450-S477 WeakPolarHBondContact CG2-OG 3.32Å; I450-S477 CarbonylContact O-C 3.58Å; I450-S477 PolarHBondContact O-OG 2.99Å
451	I	55.4	Low	69.7	Low	25 Å²	25	58.5 Å²	58.5	13%	0.128	32%	0.315	C	S	.	.			trans	-118.3	115.6	164.9	-61.2	-172.4	0	0	0	103.9	I447 G449 V453 I473 Y475 T478 V487	I447-I451 HydrophobicContact CG2-CB 3.86Å; I447-I451 HydrophobicContact CG2-CD1 3.54Å; I447-I451 HydrophobicContact CG2-CG1 3.7Å; G449-I451 PolarHBondContact O-N 3.47Å; I451-V453 HydrophobicContact CB-CG2 4.25Å; I451-V453 HydrophobicContact CG2-CG2 3.6Å; I451-V453 PolarHBondContact O-N 3.34Å; I451-I473 HydrophobicContact CG2-CB 4.3Å; I451-I473 HydrophobicContact CG2-CG2 3.33Å; I451-Y475 HydrophobicContact CD1-CD1 4.17Å; I451-Y475 HydrophobicContact CD1-CE1 4.11Å; I451-T478 HydrophobicContact CG1-CG2 4.41Å; I451-V487 HydrophobicContact CD1-CG2 3.75Å
452	N	67.4	Low	68.8	Low	94 Å²	94	66.5 Å²	66.5	50%	0.503	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	103.5	170.5	-81	-25.1	0	0	0	106.9	D474	N452-D474 HydrophobicContact CB-CB 4.14Å; N452-D474 PolarHBondContact N-O 2.66Å; N452-D474 PolarHBondContact O-N 3.07Å
453	V	75.2	Confident	68.2	Low	23 Å²	23	68.5 Å²	68.5	14%	0.139	37%	0.367	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	118	172.8	-174.9	0	0	0	0	108.5	L439 I442 I451 L471 V472 I473	L439-V453 HydrophobicContact CD2-CB 4.11Å; L439-V453 HydrophobicContact CD2-CG1 3.9Å; L439-V453 VanDerWaalsContact CD2-O 3.23Å; L439-V453 WeakPolarHBondContact CD2-O 3.23Å; I442-V453 HydrophobicContact CD1-CG1 3.9Å; I442-V453 HydrophobicContact CG2-CB 4.49Å; I442-V453 HydrophobicContact CG2-CG2 3.89Å; I451-V453 HydrophobicContact CB-CG2 4.25Å; I451-V453 HydrophobicContact CG2-CG2 3.6Å; I451-V453 PolarHBondContact O-N 3.34Å; V453-L471 HydrophobicContact CG1-CB 4.39Å; V453-L471 HydrophobicContact CG1-CD2 3.75Å; V453-V472 CarbonylContact C-O 3.57Å; V453-V472 VanDerWaalsContact CA-O 3.3Å; V453-V472 WeakPolarHBondContact CA-O 3.43Å; V453-I473 HydrophobicContact CG1-CG1 4.3Å; V453-I473 HydrophobicContact CG2-CG1 4.16Å
454	T	82.1	Confident	68	Low	80 Å²	80	66.9 Å²	66.9	49%	0.491	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	127.6	171.6	60.9	0	0	0	0	109.1	L471 V472	T454-L471 WeakPolarHBondContact O-CA 3.27Å; T454-V472 PolarHBondContact N-O 3.46Å; T454-V472 PolarHBondContact O-N 2.72Å; T454-V472 WeakPolarHBondContact OG1-CB 3.49Å
455	C	88.5	Confident	68.6	Low	23 Å²	23	63.9 Å²	63.9	16%	0.155	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	131.9	173.5	175.6	0	0	0	0	110.4	C435 L439 M470 L471	C435-C455 WeakPolarHBondContact CA-SG 3.25Å; C435-C455 HydrophobicContact CB-CB 3.64Å; C435-C455 WeakPolarHBondContact CB-SG 3.32Å; C435-C455 WeakPolarHBondContact SG-CB 3.28Å; C435-C455 PolarHBondContact SG-O 3.15Å; C435-C455 CovalentContact SG-SG 2.06Å; C435-C455 PolarHBondContact SG-SG 3.01Å; L439-C455 HydrophobicContact CD1-CB 4.22Å; L439-C455 HydrophobicContact CD2-CB 4.09Å; L439-C455 HydrophobicContact CG-CB 3.97Å; C455-M470 CarbonylContact C-O 3.57Å; C455-M470 WeakPolarHBondContact CA-O 3.38Å; C455-L471 HydrophobicContact CB-CD2 3.78Å
456	T	86.5	Confident	69.7	Low	69 Å²	69	65.4 Å²	65.4	42%	0.423	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	128.6	172.6	-58.2	0	0	0	0	109.4	V458 A469 M470	T456-V458 PolarHBondContact O-N 3.48Å; T456-A469 CarbonylContact O-C 3.53Å; T456-A469 WeakPolarHBondContact O-CA 3.33Å; T456-M470 PolarHBondContact N-O 3.16Å; T456-M470 PolarHBondContact O-N 3.32Å
457	V	87.1	Confident	71.2	Confident	19 Å²	19	55.6 Å²	55.6	12%	0.115	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	119.2	172.2	176.6	0	0	0	0	109	I434 F460 A469	I434-V457 HydrophobicContact CB-CG2 4.43Å; I434-V457 HydrophobicContact CG2-CG2 4.32Å; V457-F460 HydrophobicContact CG1-CE2 4.2Å; V457-F460 HydrophobicContact CG1-CZ 4.03Å; V457-A469 HydrophobicContact CG2-CB 4.44Å
458	V	79.4	Confident	72.7	Confident	98 Å²	98	56.2 Å²	56.2	59%	0.594	31%	0.313	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.9	-38.4	178.1	-177.7	0	0	0	0	110	T456 N468 M470	T456-V458 PolarHBondContact O-N 3.48Å; V458-N468 HydrophobicContact CB-CB 4.19Å; V458-N468 PolarHBondContact N-O 3.04Å; V458-M470 HydrophobicContact CG2-CB 4.02Å
459	G	80	Confident	74.7	Confident	13 Å²	13	47.3 Å²	47.3	13%	0.134	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.5	-175.3	173.3	0	0	0	0	0	113.8	N468	G459-N468 PolarHBondContact N-O 2.82Å; G459-N468 WeakPolarHBondContact O-CB 3.03Å; G459-N468 PolarHBondContact O-N 3.47Å; G459-N468 PolarHBondContact O-ND2 2.93Å; G459-N468 VanDerWaalsContact O-ND2 3.12Å
460	F	83.9	Confident	76.3	Confident	15 Å²	15	49.5 Å²	49.5	7%	0.066	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	139.4	-179.6	-56	-82.9	0	0	0	111.1	L406 W415 L419 Y427 Y430 S431 I434 V457 V465 I466	L406-F460 HydrophobicContact CD1-CD1 3.98Å; L406-F460 HydrophobicContact CD1-CE1 3.77Å; W415-F460 HydrophobicContact CH2-CB 4.16Å; W415-F460 HydrophobicContact CZ3-CB 3.9Å; L419-F460 HydrophobicContact CB-CB 4.08Å; L419-F460 HydrophobicContact CB-CD2 4.16Å; L419-F460 HydrophobicContact CB-CG 4.27Å; L419-F460 HydrophobicContact CD1-CB 4.46Å; L419-F460 HydrophobicContact CD2-CD2 4.03Å; L419-F460 HydrophobicContact CD2-CE2 4.22Å; L419-F460 HydrophobicContact CD2-CG 4.28Å; Y427-F460 HydrophobicContact CD1-CE2 4.33Å; Y427-F460 AromaticContact CD2-CD2 3.56Å; Y427-F460 HydrophobicContact CD2-CD2 3.56Å; Y427-F460 AromaticContact CD2-CE2 3.54Å; Y427-F460 HydrophobicContact CD2-CE2 3.54Å; Y427-F460 HydrophobicContact CE1-CE2 4.38Å; Y427-F460 AromaticContact CE2-CD2 3.56Å; Y427-F460 HydrophobicContact CE2-CD2 3.56Å; Y427-F460 AromaticContact CE2-CE2 3.62Å; Y427-F460 HydrophobicContact CE2-CE2 3.62Å; Y427-F460 HydrophobicContact CG-CD2 4.36Å; Y427-F460 AromaticContact CG-CE2 3.9Å; Y427-F460 HydrophobicContact CG-CE2 3.9Å; Y430-F460 VanDerWaalsContact CB-CZ 3.49Å; Y430-F460 HydrophobicContact CD1-CE1 4.24Å; S431-F460 WeakPolarHBondContact OG-CE2 3.13Å; I434-F460 HydrophobicContact CD1-CE1 3.55Å; I434-F460 HydrophobicContact CD1-CZ 4.09Å; V457-F460 HydrophobicContact CG1-CE2 4.2Å; V457-F460 HydrophobicContact CG1-CZ 4.03Å; F460-V465 HydrophobicContact CB-CG1 4.41Å; F460-V465 HydrophobicContact CD1-CG1 3.88Å; F460-V465 HydrophobicContact CG-CG1 4.47Å; F460-I466 CarbonylContact C-O 3.44Å; F460-I466 VanDerWaalsContact CA-O 3.27Å; F460-I466 WeakPolarHBondContact CA-O 3.47Å
461	S	78.1	Confident	78.1	Confident	51 Å²	51	44.7 Å²	44.7	36%	0.357	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	142.1	178.7	-45.2	0	0	0	0	112	W415 I466 N468	W415-S461 WeakPolarHBondContact CZ3-O 3.4Å; S461-I466 PolarHBondContact N-O 3.24Å; S461-I466 PolarHBondContact O-N 3.01Å; S461-N468 PolarHBondContact OG-ND2 2.73Å; S461-N468 VanDerWaalsContact OG-ND2 3.11Å
462	R	64.1	Low	79.2	Confident	168 Å²	168	45.4 Å²	45.4	63%	0.634	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	133	-179.8	-89.1	-176.9	159.8	177.4	-3.7	111.8	W415 D417	W415-R462 HydrophobicContact CD2-CB 4.33Å; W415-R462 HydrophobicContact CD2-CG 3.61Å; W415-R462 HydrophobicContact CE3-CB 4.48Å; W415-R462 HydrophobicContact CE3-CG 4.14Å; W415-R462 HydrophobicContact CG-CG 4.09Å; W415-R462 HydrophobicContact CH2-CG 3.97Å; W415-R462 HydrophobicContact CZ2-CG 3.43Å; W415-R462 VanDerWaalsContact CZ2-CG 3.43Å; W415-R462 HydrophobicContact CZ3-CG 4.31Å; D417-R462 IonicContact OD1-CZ 2.9Å; D417-R462 IonicContact OD1-NE 3.09Å; D417-R462 IonicContact OD1-NH2 2.78Å; D417-R462 PolarHBondContact OD1-NH2 2.95Å; D417-R462 IonicContact OD2-NH2 3.94Å; D417-R462 PolarHBondContact OD2-NH2 2.9Å
463	G	65.4	Low	79.5	Confident	45 Å²	45	41 Å²	41	46%	0.464	24%	0.24	S	C	.	.	T	Hydrogen-bonded Turn	trans	145.9	-145.1	-174.1	0	0	0	0	0	110.4	V465	G463-V465 PolarHBondContact O-N 3.12Å
464	S	68.5	Low	79.2	Confident	60 Å²	60	41.8 Å²	41.8	42%	0.42	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-72	42	166.9	-67.8	0	0	0	0	112.8	T405 L413	T405-S464 VanDerWaalsContact CG2-O 3.27Å; T405-S464 WeakPolarHBondContact CG2-O 2.99Å; L413-S464 CarbonylContact O-C 3.21Å; L413-S464 WeakPolarHBondContact O-CA 3.37Å
465	V	81	Confident	78.2	Confident	0 Å²	0	39.3 Å²	39.3	0%	0	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	42.3	93.4	-168.6	-170.1	0	0	0	0	112.3	L406 L413 E414 W415 L419 Y430 F460 G463	L406-V465 WeakPolarHBondContact CB-O 3.23Å; L406-V465 HydrophobicContact CD1-CG1 3.79Å; L406-V465 HydrophobicContact CG-CG1 4.46Å; L406-V465 WeakPolarHBondContact CG-O 3.41Å; L406-V465 PolarHBondContact N-O 3.1Å; L413-V465 HydrophobicContact CB-CB 4.04Å; L413-V465 HydrophobicContact CB-CG2 3.83Å; E414-V465 WeakPolarHBondContact O-CG2 3.42Å; W415-V465 HydrophobicContact CE3-CG2 4.16Å; L419-V465 HydrophobicContact CD1-CB 4.43Å; L419-V465 HydrophobicContact CD1-CG1 3.61Å; L419-V465 HydrophobicContact CD1-CG2 3.85Å; Y430-V465 HydrophobicContact CD1-CG1 4.41Å; Y430-V465 HydrophobicContact CE1-CG1 4.37Å; F460-V465 HydrophobicContact CB-CG1 4.41Å; F460-V465 HydrophobicContact CD1-CG1 3.88Å; F460-V465 HydrophobicContact CG-CG1 4.47Å; G463-V465 PolarHBondContact O-N 3.12Å
466	I	81.8	Confident	76.5	Confident	56 Å²	56	41.3 Å²	41.3	29%	0.287	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	124.1	172.3	-56.8	172.8	0	0	0	107.7	S404 F460 S461	S404-I466 WeakPolarHBondContact O-CA 3.4Å; F460-I466 CarbonylContact C-O 3.44Å; F460-I466 VanDerWaalsContact CA-O 3.27Å; F460-I466 WeakPolarHBondContact CA-O 3.47Å; S461-I466 PolarHBondContact N-O 3.24Å; S461-I466 PolarHBondContact O-N 3.01Å
467	G	82.7	Confident	74.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	131.3	173.6	0	0	0	0	0	110.1	S403 S404	S403-G467 VanDerWaalsContact CA-O 3.27Å; S403-G467 WeakPolarHBondContact CA-O 3.44Å; S404-G467 PolarHBondContact N-O 3.28Å; S404-G467 PolarHBondContact O-N 2.85Å
468	N	82.7	Confident	72.8	Confident	41 Å²	41	42 Å²	42	22%	0.219	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.2	174.9	-51.6	-79.2	0	0	0	108.6	S403 V458 G459 S461	S403-N468 VanDerWaalsContact CB-OD1 3.24Å; S403-N468 WeakPolarHBondContact CB-OD1 3.34Å; V458-N468 HydrophobicContact CB-CB 4.19Å; V458-N468 PolarHBondContact N-O 3.04Å; G459-N468 PolarHBondContact N-O 2.82Å; G459-N468 WeakPolarHBondContact O-CB 3.03Å; G459-N468 PolarHBondContact O-N 3.47Å; G459-N468 PolarHBondContact O-ND2 2.93Å; G459-N468 VanDerWaalsContact O-ND2 3.12Å; S461-N468 PolarHBondContact OG-ND2 2.73Å; S461-N468 VanDerWaalsContact OG-ND2 3.11Å
469	A	85.5	Confident	71	Confident	2 Å²	2	40.1 Å²	40.1	2%	0.017	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	156.3	-179.4	0	0	0	0	0	110.9	T401 V402 I434 L438 T456 V457	T401-A469 CarbonylContact C-O 3.56Å; T401-A469 WeakPolarHBondContact CA-O 3.36Å; V402-A469 PolarHBondContact N-O 3.48Å; V402-A469 PolarHBondContact O-N 2.76Å; I434-A469 HydrophobicContact CG2-CB 4.12Å; L438-A469 HydrophobicContact CD1-CB 3.61Å; T456-A469 CarbonylContact O-C 3.53Å; T456-A469 WeakPolarHBondContact O-CA 3.33Å; V457-A469 HydrophobicContact CG2-CB 4.44Å
470	M	82.7	Confident	69.2	Low	57 Å²	57	49.2 Å²	49.2	28%	0.281	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	132.6	179.4	-175.5	175.5	74	0	0	108.7	I399 I400 T401 C455 T456 V458 V472	I399-M470 HydrophobicContact CG2-CG 3.65Å; I399-M470 HydrophobicContact CG2-SD 3.65Å; I400-M470 CarbonylContact O-C 3.52Å; I400-M470 WeakPolarHBondContact O-CA 3.48Å; T401-M470 HydrophobicContact CG2-CG 4.48Å; C455-M470 CarbonylContact C-O 3.57Å; C455-M470 WeakPolarHBondContact CA-O 3.38Å; T456-M470 PolarHBondContact N-O 3.16Å; T456-M470 PolarHBondContact O-N 3.32Å; V458-M470 HydrophobicContact CG2-CB 4.02Å; M470-V472 HydrophobicContact CE-CG2 4.21Å
471	L	83.1	Confident	67	Low	0 Å²	0	55.9 Å²	55.9	0%	0	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	121.8	176.4	-67.5	163.5	0	0	0	107.8	I399 I400 V402 L438 I442 V453 T454 C455 V492	I399-L471 CarbonylContact C-O 3.54Å; I399-L471 WeakPolarHBondContact CA-O 3.27Å; I400-L471 HydrophobicContact CB-CB 4.3Å; I400-L471 PolarHBondContact N-O 2.82Å; I400-L471 PolarHBondContact O-N 2.78Å; V402-L471 HydrophobicContact CG2-CD1 3.91Å; L438-L471 HydrophobicContact CB-CD2 4.05Å; L438-L471 HydrophobicContact CD1-CD1 4.42Å; L438-L471 HydrophobicContact CD1-CD2 4.36Å; L438-L471 HydrophobicContact CD1-CG 4.38Å; I442-L471 HydrophobicContact CD1-CD1 3.68Å; I442-L471 HydrophobicContact CD1-CD2 3.92Å; I442-L471 HydrophobicContact CD1-CG 4.37Å; V453-L471 HydrophobicContact CG1-CB 4.39Å; V453-L471 HydrophobicContact CG1-CD2 3.75Å; T454-L471 WeakPolarHBondContact O-CA 3.27Å; C455-L471 HydrophobicContact CB-CD2 3.78Å; L471-V492 HydrophobicContact CD1-CG1 4.05Å
472	V	77.7	Confident	65.1	Low	39 Å²	39	59 Å²	59	24%	0.236	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	125.1	169.3	-174.4	0	0	0	0	107.2	I399 V453 T454 M470	I399-V472 HydrophobicContact CG1-CG1 4.48Å; I399-V472 HydrophobicContact CG1-CG2 4.42Å; V453-V472 CarbonylContact C-O 3.57Å; V453-V472 VanDerWaalsContact CA-O 3.3Å; V453-V472 WeakPolarHBondContact CA-O 3.43Å; T454-V472 PolarHBondContact N-O 3.46Å; T454-V472 PolarHBondContact O-N 2.72Å; T454-V472 WeakPolarHBondContact OG1-CB 3.49Å; M470-V472 HydrophobicContact CE-CG2 4.21Å
473	I	74.7	Confident	64	Low	1 Å²	1	56.1 Å²	56.1	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	112.1	-173.1	-63.2	-178.2	0	0	0	106.8	T397 A398 I400 I451 V453 Y475 V487	T397-I473 WeakPolarHBondContact CA-O 3.31Å; A398-I473 HydrophobicContact CB-CB 4.26Å; A398-I473 PolarHBondContact N-O 3.23Å; A398-I473 PolarHBondContact O-N 3.41Å; I400-I473 HydrophobicContact CD1-CD1 3.57Å; I400-I473 HydrophobicContact CG1-CD1 4.29Å; I451-I473 HydrophobicContact CG2-CB 4.3Å; I451-I473 HydrophobicContact CG2-CG2 3.33Å; V453-I473 HydrophobicContact CG1-CG1 4.3Å; V453-I473 HydrophobicContact CG2-CG1 4.16Å; I473-Y475 HydrophobicContact CG2-CD1 4.4Å; I473-Y475 HydrophobicContact CG2-CE1 3.9Å; I473-Y475 HydrophobicContact CG2-CE2 4.01Å; I473-V487 HydrophobicContact CD1-CB 3.94Å; I473-V487 HydrophobicContact CD1-CG1 3.55Å; I473-V487 HydrophobicContact CD1-CG2 4.43Å; I473-V487 HydrophobicContact CG2-CB 4.47Å; I473-V487 HydrophobicContact CG2-CG2 4.29Å
474	D	68.2	Low	62.7	Low	40 Å²	40	59.1 Å²	59.1	21%	0.214	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	114.7	178.6	175.4	14.9	0	0	0	110.6	N452 S476	N452-D474 HydrophobicContact CB-CB 4.14Å; N452-D474 PolarHBondContact N-O 2.66Å; N452-D474 PolarHBondContact O-N 3.07Å; D474-S476 VanDerWaalsContact C-N 3.34Å; D474-S476 WeakPolarHBondContact OD1-CB 3.35Å; D474-S476 PolarHBondContact OD1-N 3.35Å; D474-S476 PolarHBondContact OD1-OG 3.05Å; D474-S476 PolarHBondContact OD2-OG 3.03Å
475	Y	59.9	Low	61.7	Low	29 Å²	29	60.1 Å²	60.1	11%	0.114	35%	0.35	C	S	.	.			trans	-84.6	-6.7	-179.1	-61	-77.9	0	0	0	113.3	K396 A398 I451 I473 S477 T478 V487	K396-Y475 HydrophobicContact CB-CD2 3.85Å; K396-Y475 HydrophobicContact CB-CG 4.42Å; K396-Y475 HydrophobicContact CG-CD2 3.91Å; K396-Y475 HydrophobicContact CG-CE2 4.28Å; K396-Y475 WeakPolarHBondContact O-CB 3.42Å; K396-Y475 WeakPolarHBondContact O-CD2 3.38Å; K396-Y475 PolarHBondContact O-N 2.66Å; K396-Y475 VanDerWaalsContact O-N 3.12Å; A398-Y475 HydrophobicContact CB-CE2 3.75Å; I451-Y475 HydrophobicContact CD1-CD1 4.17Å; I451-Y475 HydrophobicContact CD1-CE1 4.11Å; I473-Y475 HydrophobicContact CG2-CD1 4.4Å; I473-Y475 HydrophobicContact CG2-CE1 3.9Å; I473-Y475 HydrophobicContact CG2-CE2 4.01Å; Y475-S477 PolarHBondContact O-N 3.25Å; Y475-T478 WeakPolarHBondContact O-CG2 3.48Å; Y475-T478 PolarHBondContact O-N 3.26Å; Y475-T478 PolarHBondContact O-OG1 2.81Å; Y475-V487 HydrophobicContact CE1-CB 4.44Å; Y475-V487 HydrophobicContact CE1-CG2 4.05Å; Y475-V487 WeakPolarHBondContact OH-CB 3.45Å; Y475-V487 PolarHBondContact OH-N 3.2Å; Y475-V487 VanDerWaalsContact OH-N 3.08Å
476	S	54.4	Low	60.4	Low	65 Å²	65	63.5 Å²	63.5	46%	0.455	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.5	-22.1	-176	68	0	0	0	0	114.1	D474	D474-S476 VanDerWaalsContact C-N 3.34Å; D474-S476 WeakPolarHBondContact OD1-CB 3.35Å; D474-S476 PolarHBondContact OD1-N 3.35Å; D474-S476 PolarHBondContact OD1-OG 3.05Å; D474-S476 PolarHBondContact OD2-OG 3.03Å
477	S	48	Very low	59.4	Low	31 Å²	31	61.2 Å²	61.2	22%	0.217	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95.3	4.7	-173.9	54.1	0	0	0	0	114.5	I450 Y475 S479	I450-S477 WeakPolarHBondContact CB-O 3.06Å; I450-S477 WeakPolarHBondContact CG2-OG 3.32Å; I450-S477 CarbonylContact O-C 3.58Å; I450-S477 PolarHBondContact O-OG 2.99Å; Y475-S477 PolarHBondContact O-N 3.25Å; S477-S479 PolarHBondContact O-N 2.77Å
478	T	48.2	Very low	58.8	Low	70 Å²	70	64.2 Å²	64.2	43%	0.429	38%	0.378	S	S	.	.			trans	-68	119.3	-179.6	54.1	0	0	0	0	111.3	I451 Y475	I451-T478 HydrophobicContact CG1-CG2 4.41Å; Y475-T478 WeakPolarHBondContact O-CG2 3.48Å; Y475-T478 PolarHBondContact O-N 3.26Å; Y475-T478 PolarHBondContact O-OG1 2.81Å
479	S	40	Very low	58.2	Low	59 Å²	59	65.1 Å²	65.1	41%	0.413	38%	0.381	S	S	.	.			trans	-65.9	141.7	171.7	66.9	0	0	0	0	110.1	S477 N481 F482	S477-S479 PolarHBondContact O-N 2.77Å; S479-N481 PolarHBondContact O-N 3.15Å; S479-F482 PolarHBondContact O-N 3.21Å; S479-F482 WeakPolarHBondContact OG-CD2 3.35Å; S479-F482 WeakPolarHBondContact OG-CE2 3.32Å
480	E	42.3	Very low	57.6	Low	204 Å²	204	68.8 Å²	68.8	95%	0.953	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-45.9	-7.9	-174.2	-65	178	166	0	0	118.1
481	N	38.5	Very low	57.2	Low	156 Å²	156	68.9 Å²	68.9	83%	0.834	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.6	9.3	-177.4	-90.7	-27	0	0	0	115.6	S479	S479-N481 PolarHBondContact O-N 3.15Å
482	F	37.6	Very low	57.1	Low	117 Å²	117	69 Å²	69	51%	0.513	40%	0.404	S	S	.	.			trans	-102.5	116.9	-178.1	-75.9	-79.7	0	0	0	113.1	S479 S484	S479-F482 PolarHBondContact O-N 3.21Å; S479-F482 WeakPolarHBondContact OG-CD2 3.35Å; S479-F482 WeakPolarHBondContact OG-CE2 3.32Å; F482-S484 PolarHBondContact O-N 2.05Å
483	S	41	Very low	57.4	Low	106 Å²	106	70.9 Å²	70.9	74%	0.741	41%	0.407	S	S	*	.			trans	-45.3	121.7	159	140.4	0	0	0	0	108.4	A485	S483-A485 PolarHBondContact O-N 3.42Å
484	S	38.5	Very low	57.7	Low	108 Å²	108	75.8 Å²	75.8	76%	0.755	43%	0.434	S	S	*	.			trans	-58.8	56.4	-176.3	59.2	0	0	0	0	114.6	F482 V486	F482-S484 PolarHBondContact O-N 2.05Å; S484-V486 PolarHBondContact O-N 2.81Å
485	A	46.6	Very low	58.4	Low	81 Å²	81	74 Å²	74	67%	0.669	43%	0.425	S	S	*	.			trans	-69.4	86.3	172.5	0	0	0	0	0	107.7	S483 V487	S483-A485 PolarHBondContact O-N 3.42Å; A485-V487 PolarHBondContact O-N 3.16Å
486	V	53.7	Low	59.6	Low	71 Å²	71	72.6 Å²	72.6	43%	0.43	42%	0.419	S	S	.	.			trans	-52.6	128.5	173.9	177.9	0	0	0	0	108	S484 T488	S484-V486 PolarHBondContact O-N 2.81Å; V486-T488 HydrophobicContact CG1-CG2 4.48Å; V486-T488 PolarHBondContact O-N 2.95Å
487	V	62.7	Low	61.1	Low	8 Å²	8	72.4 Å²	72.4	5%	0.048	42%	0.415	C	S	.	.			trans	-72.5	101	175.7	-177.9	0	0	0	0	107.7	I400 I447 I451 I473 Y475 A485 V492	I400-V487 HydrophobicContact CD1-CG1 4.22Å; I447-V487 HydrophobicContact CD1-CG2 4.14Å; I451-V487 HydrophobicContact CD1-CG2 3.75Å; I473-V487 HydrophobicContact CD1-CB 3.94Å; I473-V487 HydrophobicContact CD1-CG1 3.55Å; I473-V487 HydrophobicContact CD1-CG2 4.43Å; I473-V487 HydrophobicContact CG2-CB 4.47Å; I473-V487 HydrophobicContact CG2-CG2 4.29Å; Y475-V487 HydrophobicContact CE1-CB 4.44Å; Y475-V487 HydrophobicContact CE1-CG2 4.05Å; Y475-V487 WeakPolarHBondContact OH-CB 3.45Å; Y475-V487 PolarHBondContact OH-N 3.2Å; Y475-V487 VanDerWaalsContact OH-N 3.08Å; A485-V487 PolarHBondContact O-N 3.16Å; V487-V492 HydrophobicContact CG1-CG2 3.47Å; V487-V492 VanDerWaalsContact CG1-CG2 3.47Å
488	T	69.5	Low	62.9	Low	64 Å²	64	76.4 Å²	76.4	39%	0.393	43%	0.43	S	S	.	.			trans	-88.9	164.1	175.6	61.6	0	0	0	0	111.5	V486 D490 T491 V492	V486-T488 HydrophobicContact CG1-CG2 4.48Å; V486-T488 PolarHBondContact O-N 2.95Å; T488-D490 PolarHBondContact O-N 3.37Å; T488-T491 WeakPolarHBondContact O-CB 3.24Å; T488-T491 PolarHBondContact O-N 3.5Å; T488-T491 PolarHBondContact OG1-N 2.89Å; T488-T491 PolarHBondContact OG1-OG1 2.84Å; T488-V492 PolarHBondContact O-N 2.8Å; T488-V492 VanDerWaalsContact O-N 3.13Å
489	E	70.6	Confident	64.7	Low	60 Å²	60	74.8 Å²	74.8	28%	0.28	42%	0.417	S	S	.	.	H	α-helix	trans	-51.6	-41.8	172.8	-63.8	178.1	178.3	0	0	112.3	T491 V492 R493 I521 E522 T523	E489-T491 VanDerWaalsContact C-N 3.32Å; E489-T491 PolarHBondContact O-N 3.38Å; E489-V492 PolarHBondContact O-N 2.85Å; E489-R493 VanDerWaalsContact O-CB 3.26Å; E489-R493 WeakPolarHBondContact O-CB 3.02Å; E489-R493 PolarHBondContact O-N 2.83Å; E489-I521 HydrophobicContact CB-CG2 4.31Å; E489-E522 WeakPolarHBondContact OE1-CA 3.27Å; E489-T523 HydrophobicContact CG-CG2 3.56Å; E489-T523 PolarHBondContact OE1-N 3.48Å; E489-T523 PolarHBondContact OE1-OG1 3.36Å
490	D	72.4	Confident	67	Low	79 Å²	79	72.1 Å²	72.1	42%	0.422	40%	0.398	S	S	.	.	H	α-helix	trans	-67.9	-32.9	179	-74.4	-29.7	0	0	0	112.2	T488 R493 N494	T488-D490 PolarHBondContact O-N 3.37Å; D490-R493 PolarHBondContact O-N 3.32Å; D490-R493 IonicContact OD1-CZ 3.15Å; D490-R493 IonicContact OD1-NH1 3.67Å; D490-R493 PolarHBondContact OD1-NH1 2.61Å; D490-N494 WeakPolarHBondContact O-CB 3.32Å; D490-N494 PolarHBondContact O-N 3.49Å; D490-N494 PolarHBondContact O-ND2 3.44Å; D490-N494 VanDerWaalsContact O-ND2 3.15Å
491	T	74.5	Confident	69	Low	58 Å²	58	65.2 Å²	65.2	36%	0.356	38%	0.375	S	S	.	.	H	α-helix	trans	-64.7	-48.2	175.6	-54.5	0	0	0	0	110.5	T488 E489 A495	T488-T491 WeakPolarHBondContact O-CB 3.24Å; T488-T491 PolarHBondContact O-N 3.5Å; T488-T491 PolarHBondContact OG1-N 2.89Å; T488-T491 PolarHBondContact OG1-OG1 2.84Å; E489-T491 VanDerWaalsContact C-N 3.32Å; E489-T491 PolarHBondContact O-N 3.38Å; T491-A495 WeakPolarHBondContact O-CB 3.4Å; T491-A495 PolarHBondContact O-N 2.83Å
492	V	80	Confident	71.3	Confident	2 Å²	2	62.7 Å²	62.7	1%	0.012	36%	0.358	C	S	.	.	H	α-helix	trans	-65.4	-41.8	176.3	-179.2	0	0	0	0	111.1	I400 L471 V487 T488 E489 N494 A495 V496 I521	I400-V492 HydrophobicContact CD1-CG2 3.58Å; L471-V492 HydrophobicContact CD1-CG1 4.05Å; V487-V492 HydrophobicContact CG1-CG2 3.47Å; V487-V492 VanDerWaalsContact CG1-CG2 3.47Å; T488-V492 PolarHBondContact O-N 2.8Å; T488-V492 VanDerWaalsContact O-N 3.13Å; E489-V492 PolarHBondContact O-N 2.85Å; V492-N494 PolarHBondContact O-N 3.36Å; V492-A495 WeakPolarHBondContact O-CB 3.33Å; V492-A495 PolarHBondContact O-N 3.05Å; V492-V496 HydrophobicContact CG1-CG2 4.16Å; V492-V496 WeakPolarHBondContact O-CB 3.05Å; V492-V496 VanDerWaalsContact O-CG2 3.3Å; V492-V496 WeakPolarHBondContact O-CG2 3.49Å; V492-V496 PolarHBondContact O-N 2.84Å; V492-I521 HydrophobicContact CB-CG2 4.28Å; V492-I521 HydrophobicContact CG1-CD1 4.33Å; V492-I521 HydrophobicContact CG1-CG2 4.3Å
493	R	84.4	Confident	73.5	Confident	79 Å²	79	57.4 Å²	57.4	30%	0.298	34%	0.335	S	S	.	.	H	α-helix	trans	-58.6	-49.4	177.8	-175.5	179.5	-71.9	135.3	0.3	111.9	E489 D490 A495 V496 V497 I521	E489-R493 VanDerWaalsContact O-CB 3.26Å; E489-R493 WeakPolarHBondContact O-CB 3.02Å; E489-R493 PolarHBondContact O-N 2.83Å; D490-R493 PolarHBondContact O-N 3.32Å; D490-R493 IonicContact OD1-CZ 3.15Å; D490-R493 IonicContact OD1-NH1 3.67Å; D490-R493 PolarHBondContact OD1-NH1 2.61Å; R493-A495 VanDerWaalsContact C-N 3.33Å; R493-A495 PolarHBondContact O-N 3.17Å; R493-V496 PolarHBondContact O-N 3.04Å; R493-V497 HydrophobicContact CG-CG2 4.46Å; R493-V497 WeakPolarHBondContact O-CB 3.45Å; R493-V497 VanDerWaalsContact O-CG2 3.24Å; R493-V497 WeakPolarHBondContact O-CG2 3.23Å; R493-V497 PolarHBondContact O-N 3.09Å; R493-I521 HydrophobicContact CB-CD1 3.65Å; R493-I521 HydrophobicContact CG-CD1 4.09Å
494	N	81.4	Confident	75.6	Confident	104 Å²	104	55 Å²	55	56%	0.556	32%	0.316	S	S	*	.	H	α-helix	trans	-63	-42.9	179	-69.1	-23.1	0	0	0	111.1	D490 V492 V496 V497 E498	D490-N494 WeakPolarHBondContact O-CB 3.32Å; D490-N494 PolarHBondContact O-N 3.49Å; D490-N494 PolarHBondContact O-ND2 3.44Å; D490-N494 VanDerWaalsContact O-ND2 3.15Å; V492-N494 PolarHBondContact O-N 3.36Å; N494-V496 PolarHBondContact O-N 3.1Å; N494-V497 PolarHBondContact O-N 3.48Å; N494-E498 VanDerWaalsContact O-CB 3.29Å; N494-E498 WeakPolarHBondContact O-CB 3.42Å; N494-E498 PolarHBondContact O-N 2.62Å
495	A	82.5	Confident	77.7	Confident	3 Å²	3	53.9 Å²	53.9	3%	0.025	31%	0.314	C	S	.	.	H	α-helix	trans	-58.4	-49.1	177.2	0	0	0	0	0	113.2	T445 T491 V492 R493 Y499	T445-A495 HydrophobicContact CG2-CB 3.95Å; T445-A495 WeakPolarHBondContact OG1-CB 3.45Å; T491-A495 WeakPolarHBondContact O-CB 3.4Å; T491-A495 PolarHBondContact O-N 2.83Å; V492-A495 WeakPolarHBondContact O-CB 3.33Å; V492-A495 PolarHBondContact O-N 3.05Å; R493-A495 VanDerWaalsContact C-N 3.33Å; R493-A495 PolarHBondContact O-N 3.17Å; A495-Y499 WeakPolarHBondContact O-CB 3.3Å; A495-Y499 PolarHBondContact O-N 2.95Å; A495-Y499 VanDerWaalsContact O-N 3.1Å
496	V	85.9	Confident	79.4	Confident	0 Å²	0	55.6 Å²	55.6	0%	0	31%	0.312	C	S	.	.	H	α-helix	trans	-66.4	-44.4	-179.8	172.7	0	0	0	0	110.9	L437 L438 V492 R493 N494 E498 Y499 I500 F513 L519	L437-V496 HydrophobicContact CD2-CG1 4.47Å; L438-V496 HydrophobicContact CD2-CG1 4.4Å; L438-V496 HydrophobicContact CD2-CG2 3.63Å; V492-V496 HydrophobicContact CG1-CG2 4.16Å; V492-V496 WeakPolarHBondContact O-CB 3.05Å; V492-V496 VanDerWaalsContact O-CG2 3.3Å; V492-V496 WeakPolarHBondContact O-CG2 3.49Å; V492-V496 PolarHBondContact O-N 2.84Å; R493-V496 PolarHBondContact O-N 3.04Å; N494-V496 PolarHBondContact O-N 3.1Å; V496-E498 PolarHBondContact O-N 2.81Å; V496-Y499 PolarHBondContact O-N 3.26Å; V496-I500 HydrophobicContact CG1-CD1 3.52Å; V496-I500 HydrophobicContact CG1-CG1 4.35Å; V496-I500 WeakPolarHBondContact O-CB 3.43Å; V496-I500 WeakPolarHBondContact O-CD1 3.28Å; V496-I500 WeakPolarHBondContact O-CG1 3.31Å; V496-I500 PolarHBondContact O-N 2.78Å; V496-F513 HydrophobicContact CG1-CD2 4.43Å; V496-L519 HydrophobicContact CG1-CD2 4.09Å
497	V	86	Confident	80.7	Confident	60 Å²	60	54.8 Å²	54.8	36%	0.364	32%	0.318	S	S	.	.	H	α-helix	trans	-64.5	-40.8	179.5	171.1	0	0	0	0	111.8	R493 N494 A501 T515 L519	R493-V497 HydrophobicContact CG-CG2 4.46Å; R493-V497 WeakPolarHBondContact O-CB 3.45Å; R493-V497 VanDerWaalsContact O-CG2 3.24Å; R493-V497 WeakPolarHBondContact O-CG2 3.23Å; R493-V497 PolarHBondContact O-N 3.09Å; N494-V497 PolarHBondContact O-N 3.48Å; V497-A501 WeakPolarHBondContact O-CB 3.19Å; V497-A501 PolarHBondContact O-N 3.47Å; V497-T515 HydrophobicContact CG2-CG2 4.29Å; V497-L519 HydrophobicContact CG2-CD2 3.94Å
498	E	84.2	Confident	81.6	Confident	116 Å²	116	56.1 Å²	56.1	54%	0.542	33%	0.327	S	S	.	.	H	α-helix	trans	-65	-46	178.5	-171.9	170	-167.8	0	0	111.6	T445 N494 V496 I500 A501 E502	T445-E498 HydrophobicContact CG2-CB 4.32Å; T445-E498 VanDerWaalsContact CG2-OE2 3.29Å; T445-E498 WeakPolarHBondContact CG2-OE2 3.49Å; N494-E498 VanDerWaalsContact O-CB 3.29Å; N494-E498 WeakPolarHBondContact O-CB 3.42Å; N494-E498 PolarHBondContact O-N 2.62Å; V496-E498 PolarHBondContact O-N 2.81Å; E498-I500 PolarHBondContact O-N 2.88Å; E498-A501 WeakPolarHBondContact O-CB 3.43Å; E498-A501 PolarHBondContact O-N 2.82Å; E498-E502 PolarHBondContact O-N 3.07Å; E498-E502 VanDerWaalsContact O-N 3.15Å
499	Y	87.2	Confident	82.2	Confident	36 Å²	36	57.7 Å²	57.7	14%	0.141	33%	0.333	C	S	.	.	H	α-helix	trans	-67	-37.8	177.9	-170.5	-114.5	0	0	0	112.6	L437 H440 S441 A495 V496 A501 E502 I503	L437-Y499 HydrophobicContact CG-CD1 4.18Å; L437-Y499 HydrophobicContact CG-CE1 4.34Å; H440-Y499 HydrophobicContact CB-CE1 3.78Å; H440-Y499 HydrophobicContact CB-CE2 4.2Å; S441-Y499 WeakPolarHBondContact OG-CB 3.05Å; S441-Y499 VanDerWaalsContact OG-CD1 3.25Å; S441-Y499 WeakPolarHBondContact OG-CD1 3.47Å; A495-Y499 WeakPolarHBondContact O-CB 3.3Å; A495-Y499 PolarHBondContact O-N 2.95Å; A495-Y499 VanDerWaalsContact O-N 3.1Å; V496-Y499 PolarHBondContact O-N 3.26Å; Y499-A501 VanDerWaalsContact C-N 3.3Å; Y499-A501 PolarHBondContact O-N 3.43Å; Y499-E502 WeakPolarHBondContact O-CB 3.4Å; Y499-E502 PolarHBondContact O-N 2.5Å; Y499-E502 VanDerWaalsContact O-N 3.15Å; Y499-I503 HydrophobicContact CD1-CD1 3.85Å; Y499-I503 HydrophobicContact CD1-CG1 4.42Å; Y499-I503 HydrophobicContact CE1-CD1 3.65Å; Y499-I503 HydrophobicContact CE1-CG1 4.21Å; Y499-I503 WeakPolarHBondContact O-CG1 3.06Å; Y499-I503 PolarHBondContact O-N 2.77Å
500	I	87.1	Confident	83	Confident	3 Å²	3	59.2 Å²	59.2	2%	0.015	34%	0.34	C	S	.	.	H	α-helix	trans	-62.6	-39.8	173.2	-68.4	165.2	0	0	0	110.9	L437 V496 E498 E502 I503 V504 Y512 F513 T515	L437-I500 HydrophobicContact CD1-CG1 4.32Å; V496-I500 HydrophobicContact CG1-CD1 3.52Å; V496-I500 HydrophobicContact CG1-CG1 4.35Å; V496-I500 WeakPolarHBondContact O-CB 3.43Å; V496-I500 WeakPolarHBondContact O-CD1 3.28Å; V496-I500 WeakPolarHBondContact O-CG1 3.31Å; V496-I500 PolarHBondContact O-N 2.78Å; E498-I500 PolarHBondContact O-N 2.88Å; I500-E502 PolarHBondContact O-N 3.09Å; I500-I503 PolarHBondContact O-N 2.7Å; I500-V504 HydrophobicContact CG2-CG2 4.22Å; I500-V504 VanDerWaalsContact O-CG2 3.3Å; I500-V504 WeakPolarHBondContact O-CG2 3.29Å; I500-V504 PolarHBondContact O-N 2.7Å; I500-Y512 HydrophobicContact CG2-CD2 3.57Å; I500-Y512 HydrophobicContact CG2-CE2 4.12Å; I500-Y512 HydrophobicContact CG2-CG 4.24Å; I500-F513 HydrophobicContact CD1-CB 3.99Å; I500-T515 HydrophobicContact CB-CG2 4.29Å; I500-T515 HydrophobicContact CD1-CG2 4.02Å; I500-T515 HydrophobicContact CG2-CG2 3.89Å
501	A	85.7	Confident	83.8	Confident	58 Å²	58	55.5 Å²	55.5	48%	0.479	32%	0.32	S	S	.	.	H	α-helix	trans	-60.2	-36.8	175.7	0	0	0	0	0	111.5	V497 E498 Y499 A505	V497-A501 WeakPolarHBondContact O-CB 3.19Å; V497-A501 PolarHBondContact O-N 3.47Å; E498-A501 WeakPolarHBondContact O-CB 3.43Å; E498-A501 PolarHBondContact O-N 2.82Å; Y499-A501 VanDerWaalsContact C-N 3.3Å; Y499-A501 PolarHBondContact O-N 3.43Å; A501-A505 VanDerWaalsContact O-CB 3.27Å; A501-A505 WeakPolarHBondContact O-CB 3.08Å; A501-A505 PolarHBondContact O-N 2.6Å
502	E	85.3	Confident	84.6	Confident	104 Å²	104	53.1 Å²	53.1	49%	0.486	31%	0.305	S	S	.	.	H	α-helix	trans	-65.8	-47.5	173.4	-173.6	179.4	-179.9	0	0	112.5	E498 Y499 I500 V504 A505 N506	E498-E502 PolarHBondContact O-N 3.07Å; E498-E502 VanDerWaalsContact O-N 3.15Å; Y499-E502 WeakPolarHBondContact O-CB 3.4Å; Y499-E502 PolarHBondContact O-N 2.5Å; Y499-E502 VanDerWaalsContact O-N 3.15Å; I500-E502 PolarHBondContact O-N 3.09Å; E502-V504 VanDerWaalsContact C-N 3.29Å; E502-V504 PolarHBondContact O-N 3.16Å; E502-A505 PolarHBondContact O-N 2.67Å; E502-N506 WeakPolarHBondContact O-CB 3.29Å; E502-N506 PolarHBondContact O-N 3.31Å; E502-N506 PolarHBondContact O-ND2 2.02Å
503	I	84.3	Confident	84.9	Confident	5 Å²	5	53.1 Å²	53.1	3%	0.026	31%	0.305	C	S	.	.	H	α-helix	trans	-55.8	-46.4	176.5	-69.3	174.8	0	0	0	110.7	L437 Y499 I500 N506 G507 S508 Y512	L437-I503 HydrophobicContact CD1-CD1 3.5Å; L437-I503 HydrophobicContact CG-CD1 4.36Å; Y499-I503 HydrophobicContact CD1-CD1 3.85Å; Y499-I503 HydrophobicContact CD1-CG1 4.42Å; Y499-I503 HydrophobicContact CE1-CD1 3.65Å; Y499-I503 HydrophobicContact CE1-CG1 4.21Å; Y499-I503 WeakPolarHBondContact O-CG1 3.06Å; Y499-I503 PolarHBondContact O-N 2.77Å; I500-I503 PolarHBondContact O-N 2.7Å; I503-N506 PolarHBondContact O-N 3.49Å; I503-G507 PolarHBondContact O-N 2.94Å; I503-S508 PolarHBondContact O-N 2.78Å; I503-S508 VanDerWaalsContact O-N 3.16Å; I503-Y512 HydrophobicContact CG2-CD1 3.76Å; I503-Y512 HydrophobicContact CG2-CE1 4.23Å; I503-Y512 HydrophobicContact CG2-CG 4.39Å
504	V	84.7	Confident	84.6	Confident	56 Å²	56	49.6 Å²	49.6	34%	0.339	29%	0.293	S	S	.	.	H	α-helix	trans	-67.1	-41.5	179.9	174.3	0	0	0	0	111.2	I500 E502 N506 G507 Y512	I500-V504 HydrophobicContact CG2-CG2 4.22Å; I500-V504 VanDerWaalsContact O-CG2 3.3Å; I500-V504 WeakPolarHBondContact O-CG2 3.29Å; I500-V504 PolarHBondContact O-N 2.7Å; E502-V504 VanDerWaalsContact C-N 3.29Å; E502-V504 PolarHBondContact O-N 3.16Å; V504-N506 VanDerWaalsContact C-N 3.33Å; V504-N506 PolarHBondContact O-N 3.04Å; V504-G507 PolarHBondContact O-N 3.05Å; V504-Y512 HydrophobicContact CG2-CD2 4.49Å; V504-Y512 HydrophobicContact CG2-CE1 4.34Å; V504-Y512 HydrophobicContact CG2-CE2 3.77Å
505	A	82.8	Confident	84.2	Confident	85 Å²	85	48 Å²	48	70%	0.702	29%	0.287	S	S	*	.	H	α-helix	trans	-64.5	-37.3	177.3	0	0	0	0	0	112.4	A501 E502 G507	A501-A505 VanDerWaalsContact O-CB 3.27Å; A501-A505 WeakPolarHBondContact O-CB 3.08Å; A501-A505 PolarHBondContact O-N 2.6Å; E502-A505 PolarHBondContact O-N 2.67Å; A505-G507 PolarHBondContact O-N 2.91Å
506	N	83.1	Confident	83.5	Confident	117 Å²	117	53.6 Å²	53.6	63%	0.626	33%	0.326	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-8.4	178.2	-71.9	-23	0	0	0	113.4	E502 I503 V504 S508	E502-N506 WeakPolarHBondContact O-CB 3.29Å; E502-N506 PolarHBondContact O-N 3.31Å; E502-N506 PolarHBondContact O-ND2 2.02Å; I503-N506 PolarHBondContact O-N 3.49Å; V504-N506 VanDerWaalsContact C-N 3.33Å; V504-N506 PolarHBondContact O-N 3.04Å; N506-S508 PolarHBondContact O-N 3.03Å
507	G	80.4	Confident	82.1	Confident	54 Å²	54	56 Å²	56	56%	0.557	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	31.7	-176.9	0	0	0	0	0	112.9	I503 V504 A505	I503-G507 PolarHBondContact O-N 2.94Å; V504-G507 PolarHBondContact O-N 3.05Å; A505-G507 PolarHBondContact O-N 2.91Å
508	S	81.8	Confident	81	Confident	35 Å²	35	54.1 Å²	54.1	25%	0.245	34%	0.336	C	S	.	.			trans	-65.8	143	-179.6	-178.1	0	0	0	0	111.3	L409 I503 N506 Q510	L409-S508 WeakPolarHBondContact CD2-O 3.29Å; I503-S508 PolarHBondContact O-N 2.78Å; I503-S508 VanDerWaalsContact O-N 3.16Å; N506-S508 PolarHBondContact O-N 3.03Å; S508-Q510 PolarHBondContact O-N 3.36Å; S508-Q510 WeakPolarHBondContact OG-CG 3.5Å; S508-Q510 PolarHBondContact OG-N 3.38Å; S508-Q510 PolarHBondContact OG-OE1 2.95Å
509	D	82.5	Confident	80.8	Confident	98 Å²	98	49.8 Å²	49.8	52%	0.524	32%	0.316	S	S	.	.			trans	-88.1	15.5	175.1	-165.3	29.9	0	0	0	112.5	R408 L409	R408-D509 VanDerWaalsContact CD-O 3.27Å; R408-D509 WeakPolarHBondContact CD-O 3.3Å; R408-D509 VanDerWaalsContact CD-OD1 3.25Å; R408-D509 WeakPolarHBondContact CD-OD1 3.47Å; R408-D509 WeakPolarHBondContact CG-O 3.3Å; R408-D509 VanDerWaalsContact CG-OD1 3.24Å; R408-D509 WeakPolarHBondContact CG-OD1 3.39Å; R408-D509 IonicContact NE-OD1 3.09Å; L409-D509 VanDerWaalsContact CD1-OD1 3.28Å; L409-D509 WeakPolarHBondContact CD1-OD1 3.47Å; L409-D509 HydrophobicContact CD2-CB 4.46Å; L409-D509 WeakPolarHBondContact CG-OD1 3.3Å
510	Q	87.1	Confident	80.4	Confident	91 Å²	91	50.6 Å²	50.6	43%	0.425	33%	0.325	S	S	.	.			trans	-71.3	152.6	174.8	-74.7	175.6	-29.5	0	0	111.6	S508 Y512	S508-Q510 PolarHBondContact O-N 3.36Å; S508-Q510 WeakPolarHBondContact OG-CG 3.5Å; S508-Q510 PolarHBondContact OG-N 3.38Å; S508-Q510 PolarHBondContact OG-OE1 2.95Å; Q510-Y512 WeakPolarHBondContact O-CD1 3.39Å
511	I	89.9	Confident	79.9	Confident	1 Å²	1	50.5 Å²	50.5	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	134.1	170.4	-61.9	171	0	0	0	109.2	L406 T407 L413 Y430 Q433	L406-I511 HydrophobicContact CB-CG2 4.01Å; L406-I511 HydrophobicContact CD1-CG2 4.2Å; L406-I511 HydrophobicContact CD2-CG2 4.19Å; L406-I511 HydrophobicContact CG-CG2 4.37Å; T407-I511 WeakPolarHBondContact O-CA 3.24Å; L413-I511 HydrophobicContact CD1-CD1 4Å; L413-I511 HydrophobicContact CD1-CG1 4.07Å; L413-I511 HydrophobicContact CD1-CG2 3.92Å; Y430-I511 HydrophobicContact CD1-CD1 4.18Å; Y430-I511 HydrophobicContact CD2-CD1 3.3Å; Y430-I511 HydrophobicContact CE1-CD1 4.24Å; Y430-I511 HydrophobicContact CE2-CD1 3.36Å; Y430-I511 HydrophobicContact CG-CD1 3.74Å; Q433-I511 HydrophobicContact CB-CB 4.33Å; Q433-I511 VanDerWaalsContact OE1-N 3.09Å
512	Y	90	Very high	79.4	Confident	9 Å²	9	51.3 Å²	51.3	4%	0.035	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	163.1	176.5	58.4	-89	0	0	0	112.5	T407 N410 L437 I500 I503 V504 Q510	T407-Y512 HydrophobicContact CG2-CE2 3.9Å; T407-Y512 PolarHBondContact N-O 3.45Å; T407-Y512 PolarHBondContact O-N 3.14Å; N410-Y512 WeakPolarHBondContact CA-OH 3.41Å; N410-Y512 PolarHBondContact N-OH 3.32Å; N410-Y512 PolarHBondContact OD1-OH 2.91Å; L437-Y512 VanDerWaalsContact CD1-CB 3.42Å; I500-Y512 HydrophobicContact CG2-CD2 3.57Å; I500-Y512 HydrophobicContact CG2-CE2 4.12Å; I500-Y512 HydrophobicContact CG2-CG 4.24Å; I503-Y512 HydrophobicContact CG2-CD1 3.76Å; I503-Y512 HydrophobicContact CG2-CE1 4.23Å; I503-Y512 HydrophobicContact CG2-CG 4.39Å; V504-Y512 HydrophobicContact CG2-CD2 4.49Å; V504-Y512 HydrophobicContact CG2-CE1 4.34Å; V504-Y512 HydrophobicContact CG2-CE2 3.77Å; Q510-Y512 WeakPolarHBondContact O-CD1 3.39Å
513	F	87.6	Confident	78.5	Confident	1 Å²	1	49.8 Å²	49.8	0%	0.004	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	133.7	176.3	-65.9	-70.7	0	0	0	111.5	V402 L406 I434 L437 L438 V496 I500 T515 L519	V402-F513 HydrophobicContact CG1-CD2 4.43Å; V402-F513 HydrophobicContact CG1-CE1 4.47Å; V402-F513 HydrophobicContact CG1-CE2 4.01Å; V402-F513 HydrophobicContact CG1-CZ 4Å; L406-F513 HydrophobicContact CD2-CD1 3.65Å; L406-F513 HydrophobicContact CD2-CE1 3.77Å; L406-F513 HydrophobicContact CD2-CG 4.44Å; I434-F513 HydrophobicContact CG2-CE1 4.39Å; I434-F513 HydrophobicContact CG2-CE2 3.88Å; I434-F513 HydrophobicContact CG2-CZ 3.48Å; I434-F513 VanDerWaalsContact CG2-CZ 3.48Å; L437-F513 HydrophobicContact CD2-CD2 3.75Å; L437-F513 HydrophobicContact CD2-CE2 3.98Å; L438-F513 HydrophobicContact CD1-CE2 4.12Å; L438-F513 HydrophobicContact CD1-CZ 4.36Å; L438-F513 HydrophobicContact CD2-CD2 4.38Å; L438-F513 HydrophobicContact CD2-CE2 3.71Å; L438-F513 HydrophobicContact CG-CE2 3.91Å; V496-F513 HydrophobicContact CG1-CD2 4.43Å; I500-F513 HydrophobicContact CD1-CB 3.99Å; F513-T515 PolarHBondContact O-N 2.81Å; F513-T515 VanDerWaalsContact O-N 3.14Å; F513-L519 HydrophobicContact CB-CD1 4.04Å; F513-L519 HydrophobicContact CG-CD1 4.19Å
514	G	78.1	Confident	76.9	Confident	5 Å²	5	53.8 Å²	53.8	5%	0.052	34%	0.341	C	S	.	.			trans	-67.3	110.3	173.3	0	0	0	0	0	110.4	S404 T405 S516 S517	S404-G514 PolarHBondContact OG-O 2.04Å; T405-G514 PolarHBondContact O-N 2.77Å; G514-S516 PolarHBondContact O-N 3.34Å; G514-S517 PolarHBondContact O-N 3.44Å
515	T	73	Confident	75.3	Confident	72 Å²	72	55.3 Å²	55.3	44%	0.442	35%	0.346	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.7	-24.1	178.3	54.7	0	0	0	0	112.6	V497 I500 F513 S517	V497-T515 HydrophobicContact CG2-CG2 4.29Å; I500-T515 HydrophobicContact CB-CG2 4.29Å; I500-T515 HydrophobicContact CD1-CG2 4.02Å; I500-T515 HydrophobicContact CG2-CG2 3.89Å; F513-T515 PolarHBondContact O-N 2.81Å; F513-T515 VanDerWaalsContact O-N 3.14Å; T515-S517 VanDerWaalsContact C-N 3.33Å
516	S	65.8	Low	73.1	Confident	119 Å²	119	55.8 Å²	55.8	83%	0.832	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-3.4	175.6	-35.3	0	0	0	0	113.5	G514	G514-S516 PolarHBondContact O-N 3.34Å
517	S	56.8	Low	70.6	Confident	51 Å²	51	51.7 Å²	51.7	36%	0.357	32%	0.319	S	S	.	.	S	Bend	trans	-113.1	28.5	-165.4	-53.4	0	0	0	0	113.1	G514 T515	G514-S517 PolarHBondContact O-N 3.44Å; T515-S517 VanDerWaalsContact C-N 3.33Å
518	G	64.4	Low	68.2	Low	21 Å²	21	52 Å²	52	22%	0.216	32%	0.316	C	S	.	.			trans	75	58.3	178.5	0	0	0	0	0	112.7	T520 E783	G518-T520 PolarHBondContact O-N 2.92Å; G518-E783 WeakPolarHBondContact CA-OE1 3.44Å
519	L	78.2	Confident	65.6	Low	24 Å²	24	53 Å²	53	13%	0.126	32%	0.321	C	S	.	.			trans	-63.2	107.3	171.4	177.3	64.6	0	0	0	109.9	V402 V496 V497 F513 I521	V402-L519 HydrophobicContact CG1-CD1 3.84Å; V496-L519 HydrophobicContact CG1-CD2 4.09Å; V497-L519 HydrophobicContact CG2-CD2 3.94Å; F513-L519 HydrophobicContact CB-CD1 4.04Å; F513-L519 HydrophobicContact CG-CD1 4.19Å; L519-I521 HydrophobicContact CD1-CG1 4.42Å; L519-I521 HydrophobicContact CD2-CD1 4.17Å; L519-I521 HydrophobicContact CG-CD1 4.19Å; L519-I521 HydrophobicContact CG-CG1 4.31Å
520	T	78.8	Confident	62.9	Low	53 Å²	53	53.4 Å²	53.4	33%	0.325	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	133.3	177	58.9	0	0	0	0	109.5	V402 S403 G518	V402-T520 WeakPolarHBondContact CA-O 3.29Å; S403-T520 PolarHBondContact N-O 2.83Å; S403-T520 PolarHBondContact O-N 3.33Å; S403-T520 PolarHBondContact O-OG1 2.97Å; S403-T520 PolarHBondContact OG-OG1 3.42Å; G518-T520 PolarHBondContact O-N 2.92Å
521	I	78.2	Confident	60	Low	2 Å²	2	56.2 Å²	56.2	1%	0.01	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	120.8	177.7	-65.1	172.6	0	0	0	105.4	I400 T401 V402 E489 V492 R493 L519	I400-I521 HydrophobicContact CG2-CG2 3.63Å; T401-I521 VanDerWaalsContact O-CA 3.27Å; T401-I521 WeakPolarHBondContact O-CA 3.12Å; V402-I521 HydrophobicContact CG1-CG1 4.06Å; V402-I521 HydrophobicContact CG2-CG1 4.2Å; E489-I521 HydrophobicContact CB-CG2 4.31Å; V492-I521 HydrophobicContact CB-CG2 4.28Å; V492-I521 HydrophobicContact CG1-CD1 4.33Å; V492-I521 HydrophobicContact CG1-CG2 4.3Å; R493-I521 HydrophobicContact CB-CD1 3.65Å; R493-I521 HydrophobicContact CG-CD1 4.09Å; L519-I521 HydrophobicContact CD1-CG1 4.42Å; L519-I521 HydrophobicContact CD2-CD1 4.17Å; L519-I521 HydrophobicContact CG-CD1 4.19Å; L519-I521 HydrophobicContact CG-CG1 4.31Å
522	E	75.2	Confident	56.8	Low	75 Å²	75	64.1 Å²	64.1	35%	0.35	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.7	142	-174.2	-62.7	-175.7	159.3	0	0	109.9	I400 T401 E489 K790	I400-E522 CarbonylContact C-O 3.46Å; I400-E522 VanDerWaalsContact CA-O 3.29Å; I400-E522 WeakPolarHBondContact CA-O 3.39Å; T401-E522 PolarHBondContact N-O 3.05Å; T401-E522 PolarHBondContact O-N 3.34Å; T401-E522 PolarHBondContact OG1-O 2.67Å; E489-E522 WeakPolarHBondContact OE1-CA 3.27Å; E522-K790 IonicContact OE1-NZ 3.69Å; E522-K790 PolarHBondContact OE1-NZ 2.91Å
523	T	65.4	Low	53.6	Low	72 Å²	72	71.6 Å²	71.6	44%	0.442	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	125.6	172.6	42.9	0	0	0	0	109.5	I399 I400 E489	I399-T523 CarbonylContact O-C 3.56Å; I399-T523 WeakPolarHBondContact O-CA 3.42Å; I400-T523 HydrophobicContact CD1-CG2 4.17Å; I400-T523 HydrophobicContact CG1-CG2 3.78Å; E489-T523 HydrophobicContact CG-CG2 3.56Å; E489-T523 PolarHBondContact OE1-N 3.48Å; E489-T523 PolarHBondContact OE1-OG1 3.36Å
524	V	50.5	Low	50.6	Low	89 Å²	89	77.5 Å²	77.5	54%	0.539	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	-40.6	-175	-170.7	0	0	0	0	111.4	I399 T401	I399-V524 HydrophobicContact CB-CB 4.4Å; I399-V524 HydrophobicContact CG2-CB 4.25Å; I399-V524 HydrophobicContact CG2-CG2 4.47Å; I399-V524 PolarHBondContact O-N 2.87Å; T401-V524 HydrophobicContact CG2-CG2 3.51Å
525	I	50.7	Low	48	Very low	88 Å²	88	85.8 Å²	85.8	45%	0.451	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	134.4	-177.8	-56.4	-177.4	0	0	0	109.2	A398 I399 A527	A398-I525 WeakPolarHBondContact CA-O 3.05Å; I399-I525 HydrophobicContact CD1-CB 4.29Å; I399-I525 HydrophobicContact CD1-CD1 4.21Å; I399-I525 HydrophobicContact CD1-CG1 4.48Å; I399-I525 HydrophobicContact CG1-CB 4.49Å; I399-I525 PolarHBondContact N-O 3.48Å; I525-A527 HydrophobicContact CG2-CB 3.53Å
526	D	36.9	Very low	45.7	Very low	94 Å²	94	87.6 Å²	87.6	50%	0.503	51%	0.508	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	78.9	165	-160.9	23.1	0	0	0	107.2	K396	K396-D526 WeakPolarHBondContact CE-OD1 3.4Å; K396-D526 WeakPolarHBondContact CE-OD2 3.45Å; K396-D526 IonicContact NZ-OD1 2.79Å; K396-D526 IonicContact NZ-OD2 2.74Å; K396-D526 PolarHBondContact NZ-OD2 3.14Å
527	A	32.2	Very low	43.7	Very low	31 Å²	31	89.9 Å²	89.9	26%	0.256	51%	0.505	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.8	119.7	-173.8	0	0	0	0	0	109.7	T397 I525 T529	T397-A527 PolarHBondContact N-O 2.84Å; T397-A527 PolarHBondContact O-N 2.88Å; T397-A527 VanDerWaalsContact O-N 3.12Å; T397-A527 PolarHBondContact OG1-O 2.92Å; I525-A527 HydrophobicContact CG2-CB 3.53Å; A527-T529 HydrophobicContact CB-CG2 4.42Å; A527-T529 PolarHBondContact O-N 3.49Å
528	A	28.8	Very low	42	Very low	61 Å²	61	95.4 Å²	95.4	50%	0.504	53%	0.531	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79	98.5	160.4	0	0	0	0	0	107.1	L394	L394-A528 HydrophobicContact CD2-CB 4.27Å
529	T	28.2	Very low	40.2	Very low	57 Å²	57	100.9 Å²	100.9	35%	0.35	56%	0.56	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-82.5	137.7	174.7	43.5	0	0	0	0	109.4	T395 A527	T395-T529 PolarHBondContact N-O 3.31Å; T395-T529 PolarHBondContact O-N 3.29Å; T395-T529 PolarHBondContact O-OG1 2.85Å; T395-T529 PolarHBondContact OG1-O 2.05Å; T395-T529 PolarHBondContact OG1-OG1 2.78Å; A527-T529 HydrophobicContact CB-CG2 4.42Å; A527-T529 PolarHBondContact O-N 3.49Å
530	T	25.2	Very low	37.6	Very low	105 Å²	105	107.9 Å²	107.9	64%	0.644	59%	0.592	S	S	*	*			trans	-94.6	100.8	178.9	-54.4	0	0	0	0	107.6
531	E	26.2	Very low	34.9	Very low	151 Å²	151	109.8 Å²	109.8	71%	0.706	61%	0.613	S	S	*	*			trans	-79.9	123.5	168.7	-86.5	-160.7	158.9	0	0	110.2	I533	E531-I533 PolarHBondContact O-N 2.83Å
532	M	23.4	Very low	32.3	Very low	167 Å²	167	120.3 Å²	120.3	82%	0.823	66%	0.655	S	S	*	*			trans	-69.5	115	162.6	-83.5	-163.9	-61.6	0	0	108.8	T534	M532-T534 PolarHBondContact O-N 2.8Å
533	I	22.5	Very low	29.7	Very low	166 Å²	166	126 Å²	126	85%	0.851	68%	0.678	S	S	*	*			trans	-61.8	104.8	162.7	-54	175.8	0	0	0	106.7	E531 E535	E531-I533 PolarHBondContact O-N 2.83Å; I533-E535 PolarHBondContact O-N 2.93Å
534	T	24.1	Very low	27.8	Very low	124 Å²	124	129.1 Å²	129.1	76%	0.761	70%	0.697	S	S	*	*			trans	-71.2	128.8	174.1	-10.2	0	0	0	0	108.3	M532 S536	M532-T534 PolarHBondContact O-N 2.8Å; T534-S536 PolarHBondContact O-N 3.46Å
535	E	24	Very low	26.5	Very low	179 Å²	179	131.9 Å²	131.9	84%	0.836	72%	0.715	S	S	*	*			trans	-44.1	100.7	177.8	-166	175.4	-165.9	0	0	111.5	I533 Q537	I533-E535 PolarHBondContact O-N 2.93Å; E535-Q537 PolarHBondContact O-N 3.46Å
536	S	24.1	Very low	25.4	Very low	111 Å²	111	131.5 Å²	131.5	78%	0.776	73%	0.732	S	S	*	*			trans	-71.5	102.7	174.1	60.1	0	0	0	0	108.5	T534 D538	T534-S536 PolarHBondContact O-N 3.46Å; S536-D538 PolarHBondContact O-N 3.33Å
537	Q	23.4	Very low	24.7	Very low	166 Å²	166	135.8 Å²	135.8	78%	0.776	75%	0.749	S	S	*	*			trans	-59.2	122.6	167.3	-71.1	-170.3	-22.4	0	0	109.7	E535 T539	E535-Q537 PolarHBondContact O-N 3.46Å; Q537-T539 PolarHBondContact O-N 3.4Å; Q537-T539 PolarHBondContact O-OG1 3.05Å
538	D	22.2	Very low	24.5	Very low	168 Å²	168	143.6 Å²	143.6	90%	0.898	78%	0.78	S	S	*	*			trans	-36.7	110	169.5	-85.4	-46	0	0	0	111.7	S536	S536-D538 PolarHBondContact O-N 3.33Å
539	T	25.6	Very low	24.2	Very low	136 Å²	136	146.6 Å²	146.6	83%	0.834	79%	0.793	S	S	*	*			trans	-114.8	92.4	161.8	-40	0	0	0	0	108.8	Q537	Q537-T539 PolarHBondContact O-N 3.4Å; Q537-T539 PolarHBondContact O-OG1 3.05Å
540	E	23.2	Very low	24.2	Very low	170 Å²	170	150.5 Å²	150.5	79%	0.794	82%	0.816	S	S	*	*			trans	9.4	115.3	152.7	-77.6	-97.3	148.7	0	0	117.7	Y542	E540-Y542 PolarHBondContact O-N 2.98Å
541	A	22.1	Very low	24.1	Very low	94 Å²	94	152.1 Å²	152.1	78%	0.777	82%	0.821	S	S	*	*			trans	-32.9	115.3	163	0	0	0	0	0	115.7
542	Y	24.2	Very low	23.9	Very low	223 Å²	223	150.3 Å²	150.3	88%	0.875	82%	0.821	S	S	*	*			trans	-98.1	109.3	150	-85.1	-86.6	0	0	0	110.3	E540 T544	E540-Y542 PolarHBondContact O-N 2.98Å; Y542-T544 PolarHBondContact O-N 3.39Å
543	K	20.9	Very low	24.1	Very low	195 Å²	195	148.9 Å²	148.9	85%	0.848	82%	0.821	S	S	*	*			trans	-54.3	121.7	164.9	-75	172.1	173.7	171.8	0	110.7
544	T	26	Very low	24.1	Very low	136 Å²	136	149.2 Å²	149.2	83%	0.834	82%	0.819	S	S	*	*			trans	-127.3	98.8	149.7	37.5	0	0	0	0	109.5	Y542 G546	Y542-T544 PolarHBondContact O-N 3.39Å; T544-G546 PolarHBondContact O-N 2.85Å
545	T	22.9	Very low	24.1	Very low	148 Å²	148	149.4 Å²	149.4	91%	0.908	82%	0.82	S	S	*	*			trans	-47.1	123.5	156.1	19.5	0	0	0	0	110.9
546	G	27.2	Very low	24.1	Very low	79 Å²	79	146.5 Å²	146.5	81%	0.814	81%	0.814	S	S	*	*			trans	-153.6	76.3	172.6	0	0	0	0	0	109.1	T544	T544-G546 PolarHBondContact O-N 2.85Å
547	E	22.3	Very low	24.1	Very low	184 Å²	184	147 Å²	147	86%	0.86	81%	0.813	S	S	*	*			trans	-77.2	120.7	172.9	-177.3	178.5	-153	0	0	108.2
548	E	28.4	Very low	24	Very low	195 Å²	195	148.2 Å²	148.2	91%	0.911	82%	0.819	S	S	*	*			trans	-160.7	115.2	146.1	-116.7	175.9	-169.3	0	0	111.9
549	T	22.6	Very low	24.2	Very low	125 Å²	125	147.2 Å²	147.2	77%	0.767	81%	0.812	S	S	*	*			trans	-72.7	141.6	171.6	43.6	0	0	0	0	112.3
550	T	28.3	Very low	24	Very low	138 Å²	138	148.4 Å²	148.4	85%	0.847	81%	0.813	S	S	*	*			trans	-163.9	95.7	144.1	-1.1	0	0	0	0	108.5
551	D	22.7	Very low	24.3	Very low	140 Å²	140	147.2 Å²	147.2	75%	0.749	81%	0.811	S	S	*	*				79.2	101	86.1	-136.9	0.4	0	0	0	114.4
552	T	22.7	Very low	24.4	Very low	113 Å²	113	148.3 Å²	148.3	69%	0.693	81%	0.808	S	S	*	*			trans	32	128.4	143.5	52.6	0	0	0	0	121.6
553	T	27.4	Very low	24.4	Very low	136 Å²	136	146.9 Å²	146.9	83%	0.834	81%	0.809	S	S	*	*				-154.9	103.3	120.9	-31.7	0	0	0	0	110.5
554	E	22.3	Very low	24.7	Very low	174 Å²	174	143.1 Å²	143.1	81%	0.813	80%	0.803	S	S	*	*			trans	-71.8	131.9	163.6	-81.5	178.9	134.8	0	0	109.5
555	V	24.4	Very low	24.5	Very low	127 Å²	127	144.7 Å²	144.7	77%	0.77	81%	0.806	S	S	*	*			trans	-109.2	101.5	163.2	178.4	0	0	0	0	107.1
556	T	22.2	Very low	24.9	Very low	118 Å²	118	144.8 Å²	144.8	72%	0.724	80%	0.8	S	S	*	*			trans	-84	124.1	169.9	36.4	0	0	0	0	109.6
557	T	24.8	Very low	24.8	Very low	123 Å²	123	146.9 Å²	146.9	76%	0.755	80%	0.796	S	S	*	*			trans	-118.8	101	161.7	38.6	0	0	0	0	108
558	E	22.6	Very low	25	Very low	191 Å²	191	147.5 Å²	147.5	89%	0.893	80%	0.799	S	S	*	*			trans	-66.7	123.5	167.1	-74.1	179.4	146.6	0	0	109.4
559	I	25.3	Very low	24.9	Very low	147 Å²	147	143.8 Å²	143.8	75%	0.754	79%	0.79	S	S	*	*			trans	-118.9	105.9	162.5	-61.8	178.9	0	0	0	106.9	I561	I559-I561 HydrophobicContact CG2-CD1 4.15Å; I559-I561 HydrophobicContact CG2-CG1 3.95Å
560	D	21.6	Very low	25.1	Very low	160 Å²	160	147.2 Å²	147.2	86%	0.856	80%	0.798	S	S	*	*			trans	-80.9	111.1	179.9	-153	1.2	0	0	0	108.3
561	I	29	Very low	25	Very low	146 Å²	146	146.4 Å²	146.4	75%	0.749	79%	0.792	S	S	*	*			trans	-125	112.6	172.4	-48.9	-178.9	0	0	0	108.7	I559	I559-I561 HydrophobicContact CG2-CD1 4.15Å; I559-I561 HydrophobicContact CG2-CG1 3.95Å
562	T	25.6	Very low	25.2	Very low	116 Å²	116	147.7 Å²	147.7	71%	0.712	80%	0.796	S	S	*	*			trans	-58.9	130	-178.7	39.1	0	0	0	0	114	T564	T562-T564 PolarHBondContact O-N 3.43Å
563	E	23.6	Very low	25.4	Very low	194 Å²	194	151 Å²	151	91%	0.907	80%	0.803	S	S	*	*			trans	-39.7	118.3	165.8	-153.5	168.9	-155.1	0	0	112.5
564	T	26	Very low	25.4	Very low	116 Å²	116	150.5 Å²	150.5	71%	0.712	80%	0.8	S	S	*	*			trans	-114.6	109.1	170.8	-43.4	0	0	0	0	107.8	T562 I566	T562-T564 PolarHBondContact O-N 3.43Å; T564-I566 WeakPolarHBondContact O-CG1 3.37Å; T564-I566 PolarHBondContact O-N 3.34Å
565	D	23.3	Very low	25.4	Very low	168 Å²	168	150.4 Å²	150.4	90%	0.898	80%	0.8	S	S	*	*			trans	-54.3	112.7	169.5	-90.7	-42.3	0	0	0	110
566	I	30.4	Very low	25.3	Very low	151 Å²	151	155.2 Å²	155.2	77%	0.774	80%	0.804	S	S	*	*			trans	-126	115.9	165.9	-26.8	178.3	0	0	0	108.2	T564	T564-I566 WeakPolarHBondContact O-CG1 3.37Å; T564-I566 PolarHBondContact O-N 3.34Å
567	T	25.9	Very low	25.3	Very low	122 Å²	122	155.4 Å²	155.4	75%	0.748	81%	0.805	S	S	*	*			trans	-48.4	133.8	177.9	38.1	0	0	0	0	114	T569	T567-T569 PolarHBondContact O-N 3.01Å; T567-T569 VanDerWaalsContact O-N 3.14Å
568	E	25.1	Very low	25.3	Very low	198 Å²	198	154.9 Å²	154.9	93%	0.925	80%	0.802	S	S	*	*			trans	-41.2	112.4	167.5	-74.6	172.3	146.1	0	0	111.2
569	T	26.9	Very low	25.3	Very low	117 Å²	117	153.9 Å²	153.9	72%	0.718	80%	0.797	S	S	*	*			trans	-107	113.3	160.3	-52.3	0	0	0	0	105.2	T567 V571	T567-T569 PolarHBondContact O-N 3.01Å; T567-T569 VanDerWaalsContact O-N 3.14Å; T569-V571 PolarHBondContact O-N 3.38Å
570	E	26.2	Very low	25.3	Very low	197 Å²	197	153.2 Å²	153.2	92%	0.921	80%	0.8	S	S	*	*			trans	-55.6	100.3	172.6	-72.3	-179	154	0	0	108.7	M572	E570-M572 PolarHBondContact O-N 3.08Å
571	V	27.5	Very low	25.6	Very low	121 Å²	121	149.9 Å²	149.9	73%	0.733	79%	0.789	S	S	*	*			trans	-82.2	104.7	169.8	-177.1	0	0	0	0	105.6	T569 E573	T569-V571 PolarHBondContact O-N 3.38Å; V571-E573 PolarHBondContact O-N 3.39Å
572	M	26.6	Very low	25.6	Very low	167 Å²	167	149.4 Å²	149.4	82%	0.823	79%	0.787	S	S	*	*			trans	-58.6	106.3	161.4	-96.9	-179.4	37	0	0	107.8	E570 T574	E570-M572 PolarHBondContact O-N 3.08Å; M572-T574 PolarHBondContact O-N 2.91Å
573	E	26.9	Very low	26.2	Very low	183 Å²	183	146.5 Å²	146.5	86%	0.855	77%	0.77	S	S	*	*			trans	-57	110.8	168.2	-75.1	178.8	155.7	0	0	108.1	V571 E575	V571-E573 PolarHBondContact O-N 3.39Å; E573-E575 PolarHBondContact O-N 2.87Å
574	T	26.2	Very low	27.3	Very low	125 Å²	125	140.3 Å²	140.3	77%	0.767	74%	0.739	S	S	*	*			trans	-85.2	102.4	168.4	-52.1	0	0	0	0	105.5	M572 R576	M572-T574 PolarHBondContact O-N 2.91Å; T574-R576 PolarHBondContact O-N 2.97Å
575	E	23.8	Very low	28.7	Very low	171 Å²	171	137 Å²	137	80%	0.799	72%	0.719	S	S	*	*			trans	-50.6	109.9	169.5	-72	179.4	166	0	0	108.5	E573 T577	E573-E575 PolarHBondContact O-N 2.87Å; E575-T577 VanDerWaalsContact C-N 3.3Å; E575-T577 PolarHBondContact O-N 3.49Å; E575-T577 VanDerWaalsContact O-N 3.09Å
576	R	22.7	Very low	30.4	Very low	229 Å²	229	129.1 Å²	129.1	86%	0.864	68%	0.677	S	S	*	*			trans	-84.5	81.1	178.1	-168.2	-179	-167.1	-179.3	1.4	107.6	T574 T578	T574-R576 PolarHBondContact O-N 2.97Å; R576-T578 PolarHBondContact O-N 2.92Å
577	T	21.9	Very low	31.9	Very low	122 Å²	122	122.1 Å²	122.1	75%	0.748	64%	0.641	S	S	*	*			trans	-61.4	104.7	163.6	41.4	0	0	0	0	107.8	E575 E579	E575-T577 VanDerWaalsContact C-N 3.3Å; E575-T577 PolarHBondContact O-N 3.49Å; E575-T577 VanDerWaalsContact O-N 3.09Å; T577-E579 PolarHBondContact O-N 3.44Å
578	T	24.6	Very low	33.9	Very low	111 Å²	111	116.3 Å²	116.3	68%	0.681	61%	0.606	S	S	*	*			trans	-84.8	92.6	171.7	-44.7	0	0	0	0	105.6	R576 V580	R576-T578 PolarHBondContact O-N 2.92Å; T578-V580 PolarHBondContact O-N 3.29Å
579	E	22.2	Very low	36	Very low	170 Å²	170	108.9 Å²	108.9	79%	0.794	57%	0.574	S	S	*	*			trans	-62.2	116.1	171.3	-83.3	-176	150.4	0	0	108.9	T577	T577-E579 PolarHBondContact O-N 3.44Å
580	V	25	Very low	38.4	Very low	133 Å²	133	103.4 Å²	103.4	81%	0.806	54%	0.54	S	S	*	.			trans	-84	109.8	174.5	179.2	0	0	0	0	107.4	T578	T578-V580 PolarHBondContact O-N 3.29Å
581	S	28.3	Very low	40.6	Very low	91 Å²	91	95.1 Å²	95.1	64%	0.636	51%	0.505	S	S	*	.			trans	-87.9	117.4	178.6	74	0	0	0	0	111.1	T583	S581-T583 PolarHBondContact O-N 3.48Å
582	L	28.3	Very low	43.1	Very low	135 Å²	135	89.5 Å²	89.5	71%	0.707	47%	0.471	S	S	*	.			trans	-65.3	113.7	169	-74.5	157.3	0	0	0	109.7	K584	L582-K584 PolarHBondContact O-N 2.93Å
583	T	38	Very low	45.7	Very low	56 Å²	56	82.8 Å²	82.8	34%	0.344	44%	0.439	S	S	.	.			trans	-82.2	100.2	172.7	54.4	0	0	0	0	109.1	S581 T717	S581-T583 PolarHBondContact O-N 3.48Å; T583-T717 PolarHBondContact O-OG1 3.41Å; T583-T717 PolarHBondContact OG1-OG1 3.49Å
584	K	46.8	Very low	48.5	Very low	63 Å²	63	74 Å²	74	27%	0.274	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	132.5	170.4	-161.2	174.1	-174.3	-168	0	107.9	L582 Y663 D714	L582-K584 PolarHBondContact O-N 2.93Å; K584-Y663 HydrophobicContact CB-CD2 3.77Å; K584-Y663 HydrophobicContact CB-CG 4.31Å; K584-Y663 HydrophobicContact CD-CD2 4.33Å; K584-Y663 HydrophobicContact CG-CD2 3.87Å; K584-Y663 HydrophobicContact CG-CE2 4.32Å; K584-Y663 VanDerWaalsContact O-CB 3.28Å; K584-Y663 WeakPolarHBondContact O-CB 3.36Å; K584-Y663 WeakPolarHBondContact O-CD2 3.27Å; K584-Y663 PolarHBondContact O-N 3.49Å; K584-D714 WeakPolarHBondContact CE-OD1 3.27Å; K584-D714 VanDerWaalsContact CE-OD2 3.3Å; K584-D714 WeakPolarHBondContact CE-OD2 3.29Å; K584-D714 VanDerWaalsContact NZ-CG 3.29Å; K584-D714 IonicContact NZ-OD1 3.17Å; K584-D714 PolarHBondContact NZ-OD1 3.41Å; K584-D714 VanDerWaalsContact NZ-OD1 3.17Å; K584-D714 IonicContact NZ-OD2 2.74Å; K584-D714 PolarHBondContact NZ-OD2 2.96Å
585	T	55.9	Low	51.5	Low	47 Å²	47	68.6 Å²	68.6	29%	0.288	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	130	176.2	-30.8	0	0	0	0	108.4	V660 I661 D662	T585-V660 HydrophobicContact CG2-CG1 3.8Å; T585-I661 CarbonylContact C-O 3.53Å; T585-I661 VanDerWaalsContact CA-O 3.3Å; T585-I661 WeakPolarHBondContact CA-O 3.42Å; T585-I661 VanDerWaalsContact CG2-O 3.3Å; T585-I661 WeakPolarHBondContact CG2-O 3.2Å; T585-D662 HydrophobicContact CG2-CB 4.44Å
586	A	59.1	Low	54.5	Low	2 Å²	2	65 Å²	65	2%	0.017	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	143	173.4	0	0	0	0	0	110.4	I661 Y663	A586-I661 HydrophobicContact CB-CB 4.27Å; A586-I661 PolarHBondContact N-O 3.1Å; A586-I661 PolarHBondContact O-N 3.48Å; A586-Y663 HydrophobicContact CB-CE2 3.65Å
587	I	61.2	Low	57.4	Low	4 Å²	4	58.7 Å²	58.7	2%	0.021	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	126	176.3	-55.8	-174.2	0	0	0	108.7	M658 L659 V660 V712 I713	I587-M658 HydrophobicContact CG2-CG 3.59Å; I587-M658 HydrophobicContact CG2-SD 3.64Å; I587-L659 CarbonylContact C-O 3.59Å; I587-L659 WeakPolarHBondContact CA-O 3.27Å; I587-V660 HydrophobicContact CD1-CG2 4.4Å; I587-V660 HydrophobicContact CG1-CG1 4.31Å; I587-V660 HydrophobicContact CG1-CG2 4.24Å; I587-V660 HydrophobicContact CG2-CG2 4.45Å; I587-V712 PolarHBondContact O-N 2.88Å; I587-I713 HydrophobicContact CB-CD1 4.38Å; I587-I713 HydrophobicContact CB-CG1 4.46Å; I587-I713 HydrophobicContact CD1-CD1 3.69Å; I587-I713 HydrophobicContact CG1-CD1 4.08Å
588	I	68.8	Low	60.2	Low	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	126.1	-176.1	-59.4	-180	0	0	0	109.1	M658 L659 I661 V675 V680 I709 E710 T711	I588-M658 CarbonylContact O-C 3.59Å; I588-M658 WeakPolarHBondContact O-CA 3.43Å; I588-L659 HydrophobicContact CB-CB 4.35Å; I588-L659 PolarHBondContact N-O 3Å; I588-L659 PolarHBondContact O-N 3.19Å; I588-I661 HydrophobicContact CD1-CD1 3.76Å; I588-I661 HydrophobicContact CG1-CD1 4.45Å; I588-V675 HydrophobicContact CD1-CG1 3.79Å; I588-V680 HydrophobicContact CD1-CB 4.47Å; I588-V680 HydrophobicContact CD1-CG2 3.45Å; I588-V680 VanDerWaalsContact CD1-CG2 3.45Å; I588-V680 HydrophobicContact CG2-CG1 4.37Å; I588-V680 HydrophobicContact CG2-CG2 4.42Å; I588-I709 HydrophobicContact CG2-CG2 3.7Å; I588-E710 CarbonylContact C-O 3.59Å; I588-E710 VanDerWaalsContact CA-O 3.31Å; I588-E710 WeakPolarHBondContact CA-O 3.32Å; I588-T711 HydrophobicContact CD1-CG2 3.96Å; I588-T711 HydrophobicContact CG1-CG2 3.75Å
589	T	70	Confident	63	Low	43 Å²	43	60.1 Å²	60.1	26%	0.264	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	145	173.8	53.1	0	0	0	0	109.9	A657 I709 E710 V712	T589-A657 CarbonylContact C-O 3.54Å; T589-A657 WeakPolarHBondContact CA-O 3.48Å; T589-I709 VanDerWaalsContact O-CA 3.31Å; T589-I709 WeakPolarHBondContact O-CA 3.49Å; T589-E710 PolarHBondContact N-O 2.81Å; T589-E710 PolarHBondContact O-N 2.92Å; T589-E710 VanDerWaalsContact O-N 3.11Å; T589-E710 PolarHBondContact OG1-O 3.4Å; T589-V712 HydrophobicContact CG2-CG2 3.75Å
590	V	75.8	Confident	66	Low	1 Å²	1	55.4 Å²	55.4	1%	0.006	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	123.5	178.2	-174.3	0	0	0	0	108.4	L626 A657 L659 F701 L707 T708 I709	V590-L626 HydrophobicContact CB-CD1 4.38Å; V590-L626 HydrophobicContact CB-CD2 4.46Å; V590-L626 HydrophobicContact CG1-CD2 4.19Å; V590-L626 HydrophobicContact CG2-CD1 4.36Å; V590-L626 HydrophobicContact CG2-CD2 4.19Å; V590-A657 PolarHBondContact N-O 3.15Å; V590-A657 PolarHBondContact O-N 3.15Å; V590-L659 HydrophobicContact CG2-CD1 4Å; V590-F701 HydrophobicContact CG1-CD2 4.27Å; V590-F701 HydrophobicContact CG1-CE1 4.33Å; V590-F701 HydrophobicContact CG1-CE2 3.92Å; V590-F701 HydrophobicContact CG1-CZ 3.93Å; V590-L707 HydrophobicContact CG1-CD1 3.85Å; V590-T708 WeakPolarHBondContact CA-O 3.45Å; V590-I709 HydrophobicContact CB-CG1 4.47Å; V590-I709 HydrophobicContact CG1-CD1 4.5Å; V590-I709 HydrophobicContact CG1-CG1 4.01Å; V590-I709 HydrophobicContact CG2-CG1 4.19Å
591	S	73.7	Confident	68.9	Low	24 Å²	24	49.7 Å²	49.7	17%	0.168	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	134	175.1	-174	0	0	0	0	112.6	I654 G655 N656 T708	S591-I654 WeakPolarHBondContact OG-CG2 3.36Å; S591-G655 VanDerWaalsContact CA-O 3.32Å; S591-G655 WeakPolarHBondContact CA-O 3.39Å; S591-G655 PolarHBondContact OG-O 3.37Å; S591-N656 WeakPolarHBondContact CB-OD1 3.39Å; S591-N656 PolarHBondContact OG-OD1 3.47Å; S591-T708 WeakPolarHBondContact CB-OG1 3.37Å; S591-T708 PolarHBondContact N-O 2.88Å; S591-T708 PolarHBondContact O-N 3.4Å; S591-T708 PolarHBondContact O-OG1 3.49Å
592	S	78.5	Confident	71.6	Confident	3 Å²	3	53.8 Å²	53.8	2%	0.021	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.6	168.7	169.8	-166.5	0	0	0	0	111.1	L594 I654 G655 G702	S592-L594 PolarHBondContact O-N 2.8Å; S592-I654 WeakPolarHBondContact O-CA 3.27Å; S592-G655 PolarHBondContact N-O 3.23Å; S592-G655 PolarHBondContact O-N 2.8Å; S592-G702 PolarHBondContact OG-O 3.36Å
593	T	82.6	Confident	74.2	Confident	25 Å²	25	50 Å²	50	15%	0.153	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	127.7	167.8	-60.9	0	0	0	0	110.4	P600 S652 G702	T593-P600 HydrophobicContact CG2-CB 4.1Å; T593-S652 VanDerWaalsContact CG2-CB 3.46Å; T593-S652 WeakPolarHBondContact CG2-O 3.35Å; T593-G702 PolarHBondContact O-N 2.82Å
594	L	85.8	Confident	76.3	Confident	0 Å²	0	51 Å²	51	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	137.6	179.2	-61.4	179.7	0	0	0	111.6	S592 L601 I622 F648 V653 I699 F701	S592-L594 PolarHBondContact O-N 2.8Å; L594-L601 HydrophobicContact CB-CD1 3.85Å; L594-L601 PolarHBondContact O-N 3.05Å; L594-I622 HydrophobicContact CD1-CD1 3.43Å; L594-I622 VanDerWaalsContact CD1-CD1 3.43Å; L594-I622 HydrophobicContact CD1-CG1 4.35Å; L594-I622 HydrophobicContact CD2-CD1 3.8Å; L594-I622 HydrophobicContact CD2-CG1 4.08Å; L594-I622 HydrophobicContact CG-CD1 4.27Å; L594-F648 HydrophobicContact CD1-CD1 3.93Å; L594-F648 HydrophobicContact CD1-CE1 3.75Å; L594-V653 WeakPolarHBondContact CB-O 3.13Å; L594-V653 HydrophobicContact CD1-CG1 3.83Å; L594-V653 HydrophobicContact CG-CG1 4.49Å; L594-V653 WeakPolarHBondContact CG-O 3.41Å; L594-V653 PolarHBondContact N-O 2.97Å; L594-I699 HydrophobicContact CB-CG2 4.02Å; L594-I699 HydrophobicContact CD1-CG2 4.21Å; L594-I699 HydrophobicContact CD2-CG2 4.27Å; L594-I699 HydrophobicContact CG-CG2 4.41Å; L594-F701 HydrophobicContact CD2-CD1 3.65Å; L594-F701 HydrophobicContact CD2-CE1 3.77Å; L594-F701 HydrophobicContact CD2-CG 4.39Å
595	T	87.7	Confident	77.8	Confident	10 Å²	10	52.2 Å²	52.2	6%	0.061	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	144	-173.3	-56.9	0	0	0	0	109.6	K599 I699 Y700	T595-K599 WeakPolarHBondContact CA-O 3.37Å; T595-K599 WeakPolarHBondContact CG2-O 3.41Å; T595-I699 WeakPolarHBondContact O-CA 3.12Å; T595-Y700 HydrophobicContact CG2-CE2 3.9Å; T595-Y700 PolarHBondContact N-O 2.78Å; T595-Y700 PolarHBondContact O-N 2.89Å
596	R	87.9	Confident	78.9	Confident	95 Å²	95	52.4 Å²	52.4	36%	0.358	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	130.3	169	-177.1	170.9	61.8	-169.4	-3.5	108.6	N598 K599 L601 D697	R596-N598 VanDerWaalsContact C-N 3.27Å; R596-N598 PolarHBondContact O-N 2.86Å; R596-K599 PolarHBondContact N-O 2.92Å; R596-K599 PolarHBondContact O-N 3.26Å; R596-L601 HydrophobicContact CB-CD2 3.83Å; R596-L601 HydrophobicContact CB-CG 4.5Å; R596-D697 VanDerWaalsContact CD-O 3.31Å; R596-D697 WeakPolarHBondContact CD-O 3.3Å; R596-D697 VanDerWaalsContact CD-OD1 3.27Å; R596-D697 WeakPolarHBondContact CD-OD1 3.42Å; R596-D697 WeakPolarHBondContact CG-O 3.44Å; R596-D697 VanDerWaalsContact CG-OD1 3.25Å; R596-D697 WeakPolarHBondContact CG-OD1 3.28Å; R596-D697 IonicContact NE-OD1 3.9Å
597	L	84.2	Confident	79.3	Confident	98 Å²	98	52.5 Å²	52.5	51%	0.513	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.8	44.6	-175.7	-60.7	172.3	0	0	0	113.3	K599 D697	L597-K599 PolarHBondContact O-N 3.04Å; L597-D697 VanDerWaalsContact CD1-OD1 3.25Å; L597-D697 WeakPolarHBondContact CD1-OD1 3.2Å; L597-D697 HydrophobicContact CD2-CB 4.35Å; L597-D697 WeakPolarHBondContact CG-OD1 3.36Å
598	N	80.2	Confident	79.1	Confident	110 Å²	110	56.3 Å²	56.3	59%	0.588	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.3	24.1	-176.4	-73.6	-23.7	0	0	0	115	R596 Y700	R596-N598 VanDerWaalsContact C-N 3.27Å; R596-N598 PolarHBondContact O-N 2.86Å; N598-Y700 WeakPolarHBondContact CA-OH 3.49Å; N598-Y700 PolarHBondContact N-OH 2.79Å; N598-Y700 PolarHBondContact OD1-OH 2.92Å
599	K	83.6	Confident	78.7	Confident	153 Å²	153	58.7 Å²	58.7	67%	0.665	30%	0.301	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-119.2	129.1	170.9	-67.7	-176.7	-179.9	178.9	0	110.7	T595 R596 L597 L601	T595-K599 WeakPolarHBondContact CA-O 3.37Å; T595-K599 WeakPolarHBondContact CG2-O 3.41Å; R596-K599 PolarHBondContact N-O 2.92Å; R596-K599 PolarHBondContact O-N 3.26Å; L597-K599 PolarHBondContact O-N 3.04Å; K599-L601 PolarHBondContact O-N 3.02Å
600	P	84.2	Confident	78.2	Confident	71 Å²	71	58.2 Å²	58.2	46%	0.461	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	139	172.7	-19	29.6	0	0	0	110.2	T593	T593-P600 HydrophobicContact CG2-CB 4.1Å
601	L	86.1	Confident	77.9	Confident	13 Å²	13	64 Å²	64	7%	0.068	33%	0.33	C	S	.	.	P	Polyproline II helix	trans	-71.6	145	179.7	-69.3	176	0	0	0	110.7	L594 R596 K599 Y618 S652 V653 I699	L594-L601 HydrophobicContact CB-CD1 3.85Å; L594-L601 PolarHBondContact O-N 3.05Å; R596-L601 HydrophobicContact CB-CD2 3.83Å; R596-L601 HydrophobicContact CB-CG 4.5Å; K599-L601 PolarHBondContact O-N 3.02Å; L601-Y618 HydrophobicContact CD1-CD1 4.37Å; L601-Y618 HydrophobicContact CD1-CE1 3.6Å; L601-S652 CarbonylContact O-C 3.49Å; L601-S652 VanDerWaalsContact O-CA 3.3Å; L601-S652 WeakPolarHBondContact O-CA 3.37Å; L601-V653 HydrophobicContact CB-CB 4.02Å; L601-V653 HydrophobicContact CB-CG2 3.83Å; L601-I699 HydrophobicContact CD1-CD1 4Å; L601-I699 HydrophobicContact CD1-CG1 4.07Å; L601-I699 HydrophobicContact CD1-CG2 3.89Å
602	E	85.4	Confident	77.8	Confident	177 Å²	177	63.6 Å²	63.6	83%	0.827	33%	0.328	S	S	*	.	P	Polyproline II helix	trans	-85.3	141.4	172.6	-68	-169.6	171.7	0	0	110.5	V653	E602-V653 WeakPolarHBondContact O-CG2 3.3Å
603	W	81.8	Confident	78	Confident	56 Å²	56	69 Å²	69	21%	0.212	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-62.8	136.8	179.5	-178.4	-97.9	0	0	0	112.4	D605 L607 L608 F648 S649 R650 V653	W603-D605 PolarHBondContact NE1-OD1 2.84Å; W603-L607 HydrophobicContact CE3-CD1 4.24Å; W603-L607 HydrophobicContact CH2-CB 4.06Å; W603-L607 HydrophobicContact CZ2-CB 4.44Å; W603-L607 HydrophobicContact CZ3-CB 4.23Å; W603-L607 HydrophobicContact CZ3-CD1 4.22Å; W603-L608 HydrophobicContact CH2-CD2 4.02Å; W603-L608 HydrophobicContact CH2-CG 4.46Å; W603-L608 HydrophobicContact CZ2-CD1 4.4Å; W603-L608 HydrophobicContact CZ2-CD2 3.64Å; W603-L608 HydrophobicContact CZ2-CG 3.75Å; W603-F648 HydrophobicContact CH2-CB 4.15Å; W603-F648 HydrophobicContact CZ3-CB 3.83Å; W603-S649 WeakPolarHBondContact CZ3-O 3.36Å; W603-R650 HydrophobicContact CD2-CB 4.35Å; W603-R650 HydrophobicContact CD2-CG 3.63Å; W603-R650 HydrophobicContact CE3-CG 4.16Å; W603-R650 HydrophobicContact CG-CG 4.06Å; W603-R650 HydrophobicContact CH2-CG 4.1Å; W603-R650 HydrophobicContact CZ2-CG 3.55Å; W603-R650 HydrophobicContact CZ3-CG 4.38Å; W603-V653 HydrophobicContact CE3-CG2 4.2Å
604	N	82.6	Confident	78	Confident	75 Å²	75	69.9 Å²	69.9	40%	0.401	36%	0.359	S	S	.	.			trans	-130.1	128.9	170.8	-174.5	-41.9	0	0	0	108.6	S606 L607 L614	N604-S606 PolarHBondContact O-N 2.93Å; N604-S606 VanDerWaalsContact OD1-CB 3.29Å; N604-S606 WeakPolarHBondContact OD1-CB 3.42Å; N604-S606 PolarHBondContact OD1-N 3.21Å; N604-S606 PolarHBondContact OD1-OG 3.1Å; N604-L607 VanDerWaalsContact O-CB 3.29Å; N604-L607 WeakPolarHBondContact O-CB 3.19Å; N604-L607 WeakPolarHBondContact O-CG 3.39Å; N604-L607 PolarHBondContact O-N 3.44Å; N604-L614 HydrophobicContact CB-CD2 3.65Å
605	D	78.5	Confident	77.8	Confident	90 Å²	90	71.4 Å²	71.4	48%	0.481	37%	0.365	S	S	.	.	G	3₁₀ helix	trans	-62.2	-16.3	-177.9	-70.8	-28.9	0	0	0	113.7	W603 L607 L608 R650	W603-D605 PolarHBondContact NE1-OD1 2.84Å; D605-L607 PolarHBondContact O-N 3.1Å; D605-L608 WeakPolarHBondContact O-CB 3.4Å; D605-L608 PolarHBondContact O-N 3.07Å; D605-R650 IonicContact OD1-CZ 2.86Å; D605-R650 IonicContact OD1-NE 3.97Å; D605-R650 IonicContact OD1-NH2 2.95Å; D605-R650 PolarHBondContact OD1-NH2 3.37Å; D605-R650 IonicContact OD2-NH2 3.63Å
606	S	78.5	Confident	77.4	Confident	51 Å²	51	77.2 Å²	77.2	36%	0.357	39%	0.386	S	S	.	.	G	3₁₀ helix	trans	-60.5	-25.2	170.3	-48.2	0	0	0	0	112	N604 L608 D609 S612	N604-S606 PolarHBondContact O-N 2.93Å; N604-S606 VanDerWaalsContact OD1-CB 3.29Å; N604-S606 WeakPolarHBondContact OD1-CB 3.42Å; N604-S606 PolarHBondContact OD1-N 3.21Å; N604-S606 PolarHBondContact OD1-OG 3.1Å; S606-L608 PolarHBondContact O-N 2.62Å; S606-D609 PolarHBondContact O-N 2.83Å; S606-S612 WeakPolarHBondContact O-CB 3.47Å; S606-S612 PolarHBondContact O-OG 3.23Å
607	L	68.4	Low	77.4	Confident	3 Å²	3	76.2 Å²	76.2	2%	0.016	39%	0.388	C	S	.	.	G	3₁₀ helix	trans	-70	-6.2	174.2	-62.9	174.4	0	0	0	113.7	W603 N604 D605 D609 L614 Y615 Y618 F648 V653	W603-L607 HydrophobicContact CE3-CD1 4.24Å; W603-L607 HydrophobicContact CH2-CB 4.06Å; W603-L607 HydrophobicContact CZ2-CB 4.44Å; W603-L607 HydrophobicContact CZ3-CB 4.23Å; W603-L607 HydrophobicContact CZ3-CD1 4.22Å; N604-L607 VanDerWaalsContact O-CB 3.29Å; N604-L607 WeakPolarHBondContact O-CB 3.19Å; N604-L607 WeakPolarHBondContact O-CG 3.39Å; N604-L607 PolarHBondContact O-N 3.44Å; D605-L607 PolarHBondContact O-N 3.1Å; L607-D609 VanDerWaalsContact C-N 3.34Å; L607-L614 HydrophobicContact CD2-CD2 3.98Å; L607-L614 HydrophobicContact CD2-CG 3.86Å; L607-L614 HydrophobicContact CG-CD2 3.97Å; L607-L614 HydrophobicContact CG-CG 4.42Å; L607-Y615 VanDerWaalsContact O-CD2 3.3Å; L607-Y615 WeakPolarHBondContact O-CD2 3.41Å; L607-Y618 HydrophobicContact CD1-CD1 4.19Å; L607-Y618 HydrophobicContact CD1-CE1 4.08Å; L607-Y618 HydrophobicContact CD2-CD1 3.61Å; L607-Y618 HydrophobicContact CD2-CE1 4.08Å; L607-Y618 HydrophobicContact CD2-CG 4.03Å; L607-F648 HydrophobicContact CB-CB 4.1Å; L607-F648 HydrophobicContact CB-CD2 4.14Å; L607-F648 HydrophobicContact CB-CG 4.26Å; L607-F648 HydrophobicContact CD1-CB 4.45Å; L607-F648 HydrophobicContact CD1-CG 4.47Å; L607-F648 HydrophobicContact CD2-CD2 4.03Å; L607-F648 HydrophobicContact CD2-CE2 4.21Å; L607-F648 HydrophobicContact CD2-CG 4.3Å; L607-V653 HydrophobicContact CD1-CB 4.45Å; L607-V653 HydrophobicContact CD1-CG1 3.59Å; L607-V653 HydrophobicContact CD1-CG2 3.9Å
608	L	55.7	Low	77.5	Confident	85 Å²	85	72.3 Å²	72.3	45%	0.445	37%	0.367	S	S	.	.	G	3₁₀ helix	trans	-83	-15.5	167.8	-62.1	172.5	0	0	0	112.4	W603 D605 S606 P610	W603-L608 HydrophobicContact CH2-CD2 4.02Å; W603-L608 HydrophobicContact CH2-CG 4.46Å; W603-L608 HydrophobicContact CZ2-CD1 4.4Å; W603-L608 HydrophobicContact CZ2-CD2 3.64Å; W603-L608 HydrophobicContact CZ2-CG 3.75Å; D605-L608 WeakPolarHBondContact O-CB 3.4Å; D605-L608 PolarHBondContact O-N 3.07Å; S606-L608 PolarHBondContact O-N 2.62Å; L608-P610 WeakPolarHBondContact O-CD 3.4Å
609	D	62.3	Low	77.6	Confident	49 Å²	49	67.9 Å²	67.9	26%	0.262	34%	0.344	S	S	.	.			trans	-103.8	107.3	-178.2	177.6	1.7	0	0	0	110.6	S606 L607 N611 S612 Y615 N761	S606-D609 PolarHBondContact O-N 2.83Å; L607-D609 VanDerWaalsContact C-N 3.34Å; D609-N611 PolarHBondContact O-N 3.25Å; D609-N611 VanDerWaalsContact O-N 3.11Å; D609-N611 WeakPolarHBondContact OD1-CA 3.04Å; D609-N611 WeakPolarHBondContact OD1-CB 3.46Å; D609-N611 PolarHBondContact OD1-N 2.9Å; D609-S612 WeakPolarHBondContact O-CB 3.19Å; D609-S612 PolarHBondContact O-N 3.35Å; D609-S612 PolarHBondContact O-OG 2.78Å; D609-S612 PolarHBondContact OD1-N 3.02Å; D609-Y615 WeakPolarHBondContact O-CB 3.34Å; D609-N761 WeakPolarHBondContact CA-ND2 3.47Å; D609-N761 HydrophobicContact CB-CB 4.45Å; D609-N761 VanDerWaalsContact CB-ND2 3.29Å; D609-N761 WeakPolarHBondContact CB-ND2 3.48Å; D609-N761 PolarHBondContact OD1-ND2 2.86Å
610	P	58.1	Low	77.7	Confident	34 Å²	34	63.9 Å²	63.9	22%	0.221	33%	0.333	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.1	-23.1	177.7	-25.2	35.1	0	0	0	114.8	L608 Y615 M850	L608-P610 WeakPolarHBondContact O-CD 3.4Å; P610-Y615 VanDerWaalsContact CA-CD1 3.47Å; P610-Y615 HydrophobicContact CB-CD1 4.22Å; P610-Y615 HydrophobicContact CB-CE1 4.02Å; P610-Y615 HydrophobicContact CG-CE2 4.43Å; P610-Y615 WeakPolarHBondContact O-CD1 3.21Å; P610-M850 HydrophobicContact CB-CE 3.7Å; P610-M850 HydrophobicContact CG-CE 3.86Å
611	N	70.7	Confident	78.1	Confident	121 Å²	121	62.4 Å²	62.4	65%	0.647	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-10.1	179.3	-60.2	-56.4	0	0	0	112.9	D609	D609-N611 PolarHBondContact O-N 3.25Å; D609-N611 VanDerWaalsContact O-N 3.11Å; D609-N611 WeakPolarHBondContact OD1-CA 3.04Å; D609-N611 WeakPolarHBondContact OD1-CB 3.46Å; D609-N611 PolarHBondContact OD1-N 2.9Å
612	S	71.1	Confident	78.2	Confident	17 Å²	17	61.9 Å²	61.9	12%	0.119	32%	0.317	C	S	.	.	S	Bend	trans	-64.9	146.2	177.8	76.6	0	0	0	0	110.6	S606 D609 L614 Y615 R616	S606-S612 WeakPolarHBondContact O-CB 3.47Å; S606-S612 PolarHBondContact O-OG 3.23Å; D609-S612 WeakPolarHBondContact O-CB 3.19Å; D609-S612 PolarHBondContact O-N 3.35Å; D609-S612 PolarHBondContact O-OG 2.78Å; D609-S612 PolarHBondContact OD1-N 3.02Å; S612-L614 PolarHBondContact O-N 2.68Å; S612-Y615 PolarHBondContact O-N 2.93Å; S612-Y615 VanDerWaalsContact OG-CB 3.27Å; S612-Y615 WeakPolarHBondContact OG-CB 3.36Å; S612-Y615 PolarHBondContact OG-N 3.29Å; S612-R616 PolarHBondContact O-N 3.36Å
613	D	82.1	Confident	78.3	Confident	116 Å²	116	54.2 Å²	54.2	62%	0.62	28%	0.283	S	S	*	.	H	α-helix	trans	-59.3	-32.9	176.1	-66.2	-32.1	0	0	0	111.3	R616 D617	D613-R616 IonicContact OD1-CZ 2.68Å; D613-R616 IonicContact OD1-NH1 3.44Å; D613-R616 PolarHBondContact OD1-NH1 2.84Å; D613-R616 IonicContact OD1-NH2 3.99Å; D613-R616 PolarHBondContact OD1-NH2 3.3Å; D613-D617 WeakPolarHBondContact O-CB 3.33Å; D613-D617 PolarHBondContact O-N 3.07Å
614	L	82.1	Confident	78.7	Confident	43 Å²	43	55.1 Å²	55.1	23%	0.225	29%	0.292	C	S	.	.	H	α-helix	trans	-69.2	-46.2	178.6	-169.4	69.7	0	0	0	112.3	N604 L607 S612 R616 D617 Y618	N604-L614 HydrophobicContact CB-CD2 3.65Å; L607-L614 HydrophobicContact CD2-CD2 3.98Å; L607-L614 HydrophobicContact CD2-CG 3.86Å; L607-L614 HydrophobicContact CG-CD2 3.97Å; L607-L614 HydrophobicContact CG-CG 4.42Å; S612-L614 PolarHBondContact O-N 2.68Å; L614-R616 VanDerWaalsContact C-N 3.34Å; L614-D617 PolarHBondContact O-N 2.85Å; L614-Y618 HydrophobicContact CD1-CD2 4Å; L614-Y618 HydrophobicContact CD1-CE2 3.48Å; L614-Y618 VanDerWaalsContact CD1-CE2 3.48Å; L614-Y618 HydrophobicContact CG-CD2 4.38Å; L614-Y618 HydrophobicContact CG-CE2 4.18Å; L614-Y618 WeakPolarHBondContact O-CB 3.35Å; L614-Y618 WeakPolarHBondContact O-CD2 3.37Å; L614-Y618 PolarHBondContact O-N 2.83Å
615	Y	82.4	Confident	79	Confident	32 Å²	32	51.9 Å²	51.9	13%	0.125	28%	0.275	C	S	.	.	H	α-helix	trans	-61.1	-46	176.5	-176.9	-76.3	0	0	0	110.7	L607 D609 P610 S612 Y618 S619 F648	L607-Y615 VanDerWaalsContact O-CD2 3.3Å; L607-Y615 WeakPolarHBondContact O-CD2 3.41Å; D609-Y615 WeakPolarHBondContact O-CB 3.34Å; P610-Y615 VanDerWaalsContact CA-CD1 3.47Å; P610-Y615 HydrophobicContact CB-CD1 4.22Å; P610-Y615 HydrophobicContact CB-CE1 4.02Å; P610-Y615 HydrophobicContact CG-CE2 4.43Å; P610-Y615 WeakPolarHBondContact O-CD1 3.21Å; S612-Y615 PolarHBondContact O-N 2.93Å; S612-Y615 VanDerWaalsContact OG-CB 3.27Å; S612-Y615 WeakPolarHBondContact OG-CB 3.36Å; S612-Y615 PolarHBondContact OG-N 3.29Å; Y615-Y618 PolarHBondContact O-N 2.85Å; Y615-S619 WeakPolarHBondContact CD1-OG 3.1Å; Y615-S619 VanDerWaalsContact CE1-OG 3.23Å; Y615-S619 WeakPolarHBondContact CE1-OG 3.35Å; Y615-S619 WeakPolarHBondContact O-CB 3.43Å; Y615-S619 PolarHBondContact O-N 2.82Å; Y615-S619 PolarHBondContact O-OG 3.14Å; Y615-F648 HydrophobicContact CD1-CE2 4.36Å; Y615-F648 AromaticContact CD2-CD2 3.57Å; Y615-F648 HydrophobicContact CD2-CD2 3.57Å; Y615-F648 AromaticContact CD2-CE2 3.53Å; Y615-F648 HydrophobicContact CD2-CE2 3.53Å; Y615-F648 HydrophobicContact CE1-CE2 4.43Å; Y615-F648 AromaticContact CE2-CD2 3.58Å; Y615-F648 HydrophobicContact CE2-CD2 3.58Å; Y615-F648 AromaticContact CE2-CE2 3.63Å; Y615-F648 HydrophobicContact CE2-CE2 3.63Å; Y615-F648 HydrophobicContact CG-CD2 4.37Å; Y615-F648 AromaticContact CG-CE2 3.91Å; Y615-F648 HydrophobicContact CG-CE2 3.91Å
616	R	79.4	Confident	79.5	Confident	132 Å²	132	47.6 Å²	47.6	50%	0.498	25%	0.252	S	S	.	.	H	α-helix	trans	-64.3	-42.8	-179.7	-171	173.7	65.6	-114.6	-4.4	111.6	S612 D613 L614 T620	S612-R616 PolarHBondContact O-N 3.36Å; D613-R616 IonicContact OD1-CZ 2.68Å; D613-R616 IonicContact OD1-NH1 3.44Å; D613-R616 PolarHBondContact OD1-NH1 2.84Å; D613-R616 IonicContact OD1-NH2 3.99Å; D613-R616 PolarHBondContact OD1-NH2 3.3Å; L614-R616 VanDerWaalsContact C-N 3.34Å; R616-T620 WeakPolarHBondContact O-CB 3.33Å; R616-T620 PolarHBondContact O-N 3.04Å; R616-T620 PolarHBondContact O-OG1 2.87Å
617	D	87.5	Confident	79.9	Confident	74 Å²	74	47.2 Å²	47.2	40%	0.396	25%	0.245	S	C	.	.	H	α-helix	trans	-60.8	-52.4	175.9	178.3	43.2	0	0	0	111.5	D613 L614 S619 T620 Q621	D613-D617 WeakPolarHBondContact O-CB 3.33Å; D613-D617 PolarHBondContact O-N 3.07Å; L614-D617 PolarHBondContact O-N 2.85Å; D617-S619 VanDerWaalsContact C-N 3.33Å; D617-S619 PolarHBondContact O-N 2.76Å; D617-T620 PolarHBondContact O-N 2.86Å; D617-Q621 WeakPolarHBondContact O-CG 3.49Å; D617-Q621 PolarHBondContact O-N 2.68Å; D617-Q621 PolarHBondContact OD1-NE2 3.15Å; D617-Q621 PolarHBondContact OD2-NE2 2.81Å; D617-Q621 VanDerWaalsContact OD2-NE2 3.1Å
618	Y	87.1	Confident	80.6	Confident	16 Å²	16	51.7 Å²	51.7	6%	0.063	27%	0.266	C	S	.	.	H	α-helix	trans	-63.5	-41.4	-179.4	-80.3	-150.9	0	0	0	111.6	L601 L607 L614 Y615 T620 Q621 I622 F648 V653 I699	L601-Y618 HydrophobicContact CD1-CD1 4.37Å; L601-Y618 HydrophobicContact CD1-CE1 3.6Å; L607-Y618 HydrophobicContact CD1-CD1 4.19Å; L607-Y618 HydrophobicContact CD1-CE1 4.08Å; L607-Y618 HydrophobicContact CD2-CD1 3.61Å; L607-Y618 HydrophobicContact CD2-CE1 4.08Å; L607-Y618 HydrophobicContact CD2-CG 4.03Å; L614-Y618 HydrophobicContact CD1-CD2 4Å; L614-Y618 HydrophobicContact CD1-CE2 3.48Å; L614-Y618 VanDerWaalsContact CD1-CE2 3.48Å; L614-Y618 HydrophobicContact CG-CD2 4.38Å; L614-Y618 HydrophobicContact CG-CE2 4.18Å; L614-Y618 WeakPolarHBondContact O-CB 3.35Å; L614-Y618 WeakPolarHBondContact O-CD2 3.37Å; L614-Y618 PolarHBondContact O-N 2.83Å; Y615-Y618 PolarHBondContact O-N 2.85Å; Y618-T620 VanDerWaalsContact C-N 3.33Å; Y618-T620 PolarHBondContact O-N 2.79Å; Y618-Q621 PolarHBondContact O-N 3.04Å; Y618-I622 WeakPolarHBondContact O-CB 3.13Å; Y618-I622 WeakPolarHBondContact O-CD1 3.06Å; Y618-I622 VanDerWaalsContact O-CG1 3.25Å; Y618-I622 WeakPolarHBondContact O-CG1 3.44Å; Y618-I622 PolarHBondContact O-N 2.99Å; Y618-F648 HydrophobicContact CD1-CE1 4.27Å; Y618-V653 HydrophobicContact CE1-CG1 4.48Å; Y618-I699 HydrophobicContact CD1-CD1 4.09Å; Y618-I699 HydrophobicContact CD2-CD1 3.34Å; Y618-I699 HydrophobicContact CE1-CD1 4.11Å; Y618-I699 HydrophobicContact CE2-CD1 3.34Å; Y618-I699 HydrophobicContact CG-CD1 3.73Å
619	S	82	Confident	82	Confident	17 Å²	17	47.7 Å²	47.7	12%	0.119	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-41.2	179.1	-58.8	0	0	0	0	111.7	Y615 D617 I622 C623	Y615-S619 WeakPolarHBondContact CD1-OG 3.1Å; Y615-S619 VanDerWaalsContact CE1-OG 3.23Å; Y615-S619 WeakPolarHBondContact CE1-OG 3.35Å; Y615-S619 WeakPolarHBondContact O-CB 3.43Å; Y615-S619 PolarHBondContact O-N 2.82Å; Y615-S619 PolarHBondContact O-OG 3.14Å; D617-S619 VanDerWaalsContact C-N 3.33Å; D617-S619 PolarHBondContact O-N 2.76Å; S619-I622 PolarHBondContact O-N 3.08Å; S619-C623 WeakPolarHBondContact O-CB 3.41Å; S619-C623 PolarHBondContact O-N 3.25Å
620	T	86.1	Confident	82.6	Confident	69 Å²	69	45.5 Å²	45.5	42%	0.423	23%	0.233	S	C	.	.	H	α-helix	trans	-62.5	-49.7	176	-56	0	0	0	0	110.3	R616 D617 Y618 I622 C623 D624	R616-T620 WeakPolarHBondContact O-CB 3.33Å; R616-T620 PolarHBondContact O-N 3.04Å; R616-T620 PolarHBondContact O-OG1 2.87Å; D617-T620 PolarHBondContact O-N 2.86Å; Y618-T620 VanDerWaalsContact C-N 3.33Å; Y618-T620 PolarHBondContact O-N 2.79Å; T620-I622 VanDerWaalsContact C-N 3.33Å; T620-I622 PolarHBondContact O-N 3.11Å; T620-C623 PolarHBondContact O-N 3.11Å; T620-D624 VanDerWaalsContact O-CB 3.3Å; T620-D624 WeakPolarHBondContact O-CB 3.33Å; T620-D624 VanDerWaalsContact O-CG 3.23Å; T620-D624 PolarHBondContact O-N 2.84Å
621	Q	91.4	Very high	83.3	Confident	41 Å²	41	48.5 Å²	48.5	19%	0.192	25%	0.247	C	C	.	.	H	α-helix	trans	-60.9	-39.7	-179.7	-72	-176.5	60.7	0	0	112.9	D617 Y618 L625 I699	D617-Q621 WeakPolarHBondContact O-CG 3.49Å; D617-Q621 PolarHBondContact O-N 2.68Å; D617-Q621 PolarHBondContact OD1-NE2 3.15Å; D617-Q621 PolarHBondContact OD2-NE2 2.81Å; D617-Q621 VanDerWaalsContact OD2-NE2 3.1Å; Y618-Q621 PolarHBondContact O-N 3.04Å; Q621-L625 VanDerWaalsContact O-CB 3.31Å; Q621-L625 WeakPolarHBondContact O-CB 3.08Å; Q621-L625 PolarHBondContact O-N 3.01Å; Q621-I699 HydrophobicContact CB-CB 4.41Å
622	I	88.9	Confident	83.1	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.237	C	C	.	.	H	α-helix	trans	-69.5	-44.2	178.3	-69.5	164.9	0	0	0	111.5	L594 Y618 S619 T620 L625 L626 V645 F648 A657 F701	L594-I622 HydrophobicContact CD1-CD1 3.43Å; L594-I622 VanDerWaalsContact CD1-CD1 3.43Å; L594-I622 HydrophobicContact CD1-CG1 4.35Å; L594-I622 HydrophobicContact CD2-CD1 3.8Å; L594-I622 HydrophobicContact CD2-CG1 4.08Å; L594-I622 HydrophobicContact CG-CD1 4.27Å; Y618-I622 WeakPolarHBondContact O-CB 3.13Å; Y618-I622 WeakPolarHBondContact O-CD1 3.06Å; Y618-I622 VanDerWaalsContact O-CG1 3.25Å; Y618-I622 WeakPolarHBondContact O-CG1 3.44Å; Y618-I622 PolarHBondContact O-N 2.99Å; S619-I622 PolarHBondContact O-N 3.08Å; T620-I622 VanDerWaalsContact C-N 3.33Å; T620-I622 PolarHBondContact O-N 3.11Å; I622-L625 WeakPolarHBondContact O-CB 3.15Å; I622-L625 PolarHBondContact O-N 3.16Å; I622-L626 HydrophobicContact CG2-CD1 4.26Å; I622-L626 WeakPolarHBondContact O-CG 3.42Å; I622-L626 PolarHBondContact O-N 3.4Å; I622-V645 HydrophobicContact CB-CG2 4.31Å; I622-V645 HydrophobicContact CG2-CG2 4.19Å; I622-F648 HydrophobicContact CD1-CE1 3.52Å; I622-F648 HydrophobicContact CD1-CZ 4.07Å; I622-A657 HydrophobicContact CG2-CB 4.03Å; I622-F701 HydrophobicContact CG2-CE1 4.41Å; I622-F701 HydrophobicContact CG2-CE2 3.85Å; I622-F701 HydrophobicContact CG2-CZ 3.47Å; I622-F701 VanDerWaalsContact CG2-CZ 3.47Å
623	C	88.5	Confident	82.5	Confident	16 Å²	16	45.9 Å²	45.9	11%	0.108	24%	0.237	C	C	.	.	H	α-helix	trans	-69.1	-37.4	177.9	-84.3	0	0	0	0	112.2	S619 T620 L625 L626 L627 C643	S619-C623 WeakPolarHBondContact O-CB 3.41Å; S619-C623 PolarHBondContact O-N 3.25Å; T620-C623 PolarHBondContact O-N 3.11Å; C623-L625 VanDerWaalsContact C-N 3.34Å; C623-L626 PolarHBondContact O-N 2.89Å; C623-L627 VanDerWaalsContact O-CB 3.31Å; C623-L627 WeakPolarHBondContact O-CB 3.08Å; C623-L627 WeakPolarHBondContact O-CG 3.47Å; C623-L627 PolarHBondContact O-N 2.88Å; C623-C643 WeakPolarHBondContact CA-SG 3.3Å; C623-C643 HydrophobicContact CB-CB 3.62Å; C623-C643 WeakPolarHBondContact CB-SG 3.49Å; C623-C643 WeakPolarHBondContact SG-CB 3.21Å; C623-C643 PolarHBondContact SG-O 2.66Å; C623-C643 CovalentContact SG-SG 2.06Å; C623-C643 PolarHBondContact SG-SG 3.41Å
624	D	88.9	Confident	81	Confident	76 Å²	76	50.5 Å²	50.5	41%	0.406	25%	0.248	S	C	.	.	H	α-helix	trans	-59.7	-47.2	171.3	-74	-16.1	0	0	0	110.3	T620 L626 L627 H628	T620-D624 VanDerWaalsContact O-CB 3.3Å; T620-D624 WeakPolarHBondContact O-CB 3.33Å; T620-D624 VanDerWaalsContact O-CG 3.23Å; T620-D624 PolarHBondContact O-N 2.84Å; D624-L626 PolarHBondContact O-N 3.26Å; D624-L627 PolarHBondContact O-N 3.36Å; D624-H628 VanDerWaalsContact O-CB 3.31Å; D624-H628 WeakPolarHBondContact O-CB 3.42Å; D624-H628 PolarHBondContact O-N 2.71Å; D624-H628 PolarHBondContact O-ND1 3.49Å
625	L	89.8	Confident	79.6	Confident	7 Å²	7	49.4 Å²	49.4	4%	0.037	24%	0.242	C	C	.	.	H	α-helix	trans	-52.8	-54.2	175.4	179.2	93.3	0	0	0	111.4	Q621 I622 C623 H628 S629 Y687 I688 I691 F701	Q621-L625 VanDerWaalsContact O-CB 3.31Å; Q621-L625 WeakPolarHBondContact O-CB 3.08Å; Q621-L625 PolarHBondContact O-N 3.01Å; I622-L625 WeakPolarHBondContact O-CB 3.15Å; I622-L625 PolarHBondContact O-N 3.16Å; C623-L625 VanDerWaalsContact C-N 3.34Å; L625-H628 PolarHBondContact O-N 2.95Å; L625-S629 WeakPolarHBondContact O-CB 3.37Å; L625-S629 PolarHBondContact O-N 3.37Å; L625-S629 PolarHBondContact O-OG 2.82Å; L625-Y687 HydrophobicContact CD1-CD1 3.98Å; L625-Y687 HydrophobicContact CD1-CE1 4.05Å; L625-Y687 HydrophobicContact CG-CD1 4.42Å; L625-I688 HydrophobicContact CD1-CG1 4.33Å; L625-I688 HydrophobicContact CD2-CG1 4.5Å; L625-I691 HydrophobicContact CD1-CD1 3.21Å; L625-F701 HydrophobicContact CD2-CD2 3.48Å; L625-F701 VanDerWaalsContact CD2-CD2 3.48Å; L625-F701 HydrophobicContact CD2-CE2 3.84Å; L625-F701 HydrophobicContact CD2-CG 4.5Å
626	L	88	Confident	77.8	Confident	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-65	-44.9	-176.2	-70.6	175.6	0	0	0	112.3	V590 I622 C623 D624 H628 S629 I630 A657 L659 V684 F701	V590-L626 HydrophobicContact CB-CD1 4.38Å; V590-L626 HydrophobicContact CB-CD2 4.46Å; V590-L626 HydrophobicContact CG1-CD2 4.19Å; V590-L626 HydrophobicContact CG2-CD1 4.36Å; V590-L626 HydrophobicContact CG2-CD2 4.19Å; I622-L626 HydrophobicContact CG2-CD1 4.26Å; I622-L626 WeakPolarHBondContact O-CG 3.42Å; I622-L626 PolarHBondContact O-N 3.4Å; C623-L626 PolarHBondContact O-N 2.89Å; D624-L626 PolarHBondContact O-N 3.26Å; L626-H628 PolarHBondContact O-N 3.13Å; L626-S629 WeakPolarHBondContact O-CB 3.47Å; L626-S629 PolarHBondContact O-N 2.96Å; L626-I630 WeakPolarHBondContact O-CG1 3.32Å; L626-I630 PolarHBondContact O-N 2.84Å; L626-A657 HydrophobicContact CD1-CB 3.54Å; L626-L659 HydrophobicContact CB-CD1 4.48Å; L626-L659 HydrophobicContact CB-CD2 4.03Å; L626-L659 HydrophobicContact CD1-CD1 4.41Å; L626-L659 HydrophobicContact CD1-CD2 4.38Å; L626-L659 HydrophobicContact CD1-CG 4.36Å; L626-V684 HydrophobicContact CD2-CG1 4.4Å; L626-V684 HydrophobicContact CD2-CG2 3.65Å; L626-F701 HydrophobicContact CD1-CE2 4.06Å; L626-F701 HydrophobicContact CD1-CZ 4.33Å; L626-F701 HydrophobicContact CD2-CD2 4.32Å; L626-F701 HydrophobicContact CD2-CE2 3.7Å; L626-F701 HydrophobicContact CG-CE2 3.87Å
627	L	86.8	Confident	76.3	Confident	43 Å²	43	50.5 Å²	50.5	23%	0.225	26%	0.257	C	S	.	.	H	α-helix	trans	-65.6	-38.7	179	-68	172.6	0	0	0	111.8	C623 D624 N631 V641 C643	C623-L627 VanDerWaalsContact O-CB 3.31Å; C623-L627 WeakPolarHBondContact O-CB 3.08Å; C623-L627 WeakPolarHBondContact O-CG 3.47Å; C623-L627 PolarHBondContact O-N 2.88Å; D624-L627 PolarHBondContact O-N 3.36Å; L627-N631 WeakPolarHBondContact O-CB 3.47Å; L627-N631 VanDerWaalsContact O-CG 3.32Å; L627-N631 PolarHBondContact O-N 2.97Å; L627-N631 PolarHBondContact O-ND2 2.81Å; L627-N631 VanDerWaalsContact O-ND2 3.11Å; L627-V641 HydrophobicContact CD2-CB 3.96Å; L627-V641 HydrophobicContact CD2-CG1 3.81Å; L627-V641 WeakPolarHBondContact CD2-O 3.38Å; L627-C643 HydrophobicContact CD1-CB 4.18Å; L627-C643 HydrophobicContact CD2-CB 4.11Å; L627-C643 HydrophobicContact CG-CB 3.96Å
628	H	84.7	Confident	74.6	Confident	97 Å²	97	47.7 Å²	47.7	45%	0.449	24%	0.242	S	C	.	.	H	α-helix	trans	-70.2	-36.8	174.5	-73.6	84.2	0	0	0	112.1	D624 L625 L626 I630 N631 S632 Y687	D624-H628 VanDerWaalsContact O-CB 3.31Å; D624-H628 WeakPolarHBondContact O-CB 3.42Å; D624-H628 PolarHBondContact O-N 2.71Å; D624-H628 PolarHBondContact O-ND1 3.49Å; L625-H628 PolarHBondContact O-N 2.95Å; L626-H628 PolarHBondContact O-N 3.13Å; H628-I630 VanDerWaalsContact C-N 3.34Å; H628-I630 PolarHBondContact O-N 3.38Å; H628-N631 PolarHBondContact O-N 3.48Å; H628-S632 VanDerWaalsContact O-CB 3.26Å; H628-S632 WeakPolarHBondContact O-CB 3.16Å; H628-S632 PolarHBondContact O-N 3.46Å; H628-S632 PolarHBondContact O-OG 3.46Å; H628-Y687 HydrophobicContact CB-CE1 3.83Å; H628-Y687 HydrophobicContact CB-CE2 4.1Å; H628-Y687 WeakPolarHBondContact CB-OH 3.32Å
629	S	83.2	Confident	72.9	Confident	0 Å²	0	52.3 Å²	52.3	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-57.8	-49.2	175.5	-57	0	0	0	0	110.4	L625 L626 S632 T633 Y687	L625-S629 WeakPolarHBondContact O-CB 3.37Å; L625-S629 PolarHBondContact O-N 3.37Å; L625-S629 PolarHBondContact O-OG 2.82Å; L626-S629 WeakPolarHBondContact O-CB 3.47Å; L626-S629 PolarHBondContact O-N 2.96Å; S629-S632 PolarHBondContact O-N 2.88Å; S629-S632 PolarHBondContact O-OG 2.84Å; S629-T633 PolarHBondContact O-N 3.34Å; S629-T633 PolarHBondContact O-OG1 3.12Å; S629-Y687 WeakPolarHBondContact OG-CB 3.31Å; S629-Y687 WeakPolarHBondContact OG-CD1 3.3Å
630	I	76.6	Confident	72.1	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.015	28%	0.278	C	S	.	.	H	α-helix	trans	-65	-44.8	179.5	-69.6	165.2	0	0	0	111.6	L626 H628 S632 I635 V641 L659	L626-I630 WeakPolarHBondContact O-CG1 3.32Å; L626-I630 PolarHBondContact O-N 2.84Å; H628-I630 VanDerWaalsContact C-N 3.34Å; H628-I630 PolarHBondContact O-N 3.38Å; I630-S632 VanDerWaalsContact C-N 3.29Å; I630-S632 PolarHBondContact O-N 2.82Å; I630-I635 HydrophobicContact CB-CD1 4.47Å; I630-I635 HydrophobicContact CG2-CB 4.14Å; I630-I635 HydrophobicContact CG2-CD1 3.84Å; I630-I635 HydrophobicContact CG2-CG1 4.48Å; I630-I635 HydrophobicContact CG2-CG2 4.29Å; I630-I635 WeakPolarHBondContact O-CB 3.38Å; I630-V641 HydrophobicContact CD1-CG1 3.99Å; I630-V641 HydrophobicContact CG2-CG2 4.14Å; I630-L659 HydrophobicContact CD1-CD1 3.66Å; I630-L659 HydrophobicContact CD1-CD2 3.82Å; I630-L659 HydrophobicContact CD1-CG 4.29Å
631	N	72.6	Confident	71.4	Confident	98 Å²	98	52.7 Å²	52.7	52%	0.524	27%	0.265	S	S	.	.	H	α-helix	trans	-69.5	-23.9	-179.1	-78	-34.6	0	0	0	113.9	L627 H628	L627-N631 WeakPolarHBondContact O-CB 3.47Å; L627-N631 VanDerWaalsContact O-CG 3.32Å; L627-N631 PolarHBondContact O-N 2.97Å; L627-N631 PolarHBondContact O-ND2 2.81Å; L627-N631 VanDerWaalsContact O-ND2 3.11Å; H628-N631 PolarHBondContact O-N 3.48Å
632	S	66.9	Low	70.7	Confident	61 Å²	61	54.6 Å²	54.6	43%	0.427	28%	0.28	S	S	.	.	H	α-helix	trans	-86.1	-38.8	-175.4	57.6	0	0	0	0	113.8	H628 S629 I630 Y634	H628-S632 VanDerWaalsContact O-CB 3.26Å; H628-S632 WeakPolarHBondContact O-CB 3.16Å; H628-S632 PolarHBondContact O-N 3.46Å; H628-S632 PolarHBondContact O-OG 3.46Å; S629-S632 PolarHBondContact O-N 2.88Å; S629-S632 PolarHBondContact O-OG 2.84Å; I630-S632 VanDerWaalsContact C-N 3.29Å; I630-S632 PolarHBondContact O-N 2.82Å; S632-Y634 PolarHBondContact O-N 3.37Å
633	T	58.1	Low	70.3	Confident	21 Å²	21	55.6 Å²	55.6	13%	0.129	29%	0.286	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	53.2	-165.7	47.6	0	0	0	0	113.5	S629 A683 E686	S629-T633 PolarHBondContact O-N 3.34Å; S629-T633 PolarHBondContact O-OG1 3.12Å; T633-A683 VanDerWaalsContact OG1-CA 3.23Å; T633-A683 WeakPolarHBondContact OG1-CA 3.34Å; T633-A683 WeakPolarHBondContact OG1-CB 3.25Å; T633-E686 HydrophobicContact CG2-CB 4.14Å; T633-E686 HydrophobicContact CG2-CG 4.26Å; T633-E686 VanDerWaalsContact CG2-OE2 3.27Å; T633-E686 WeakPolarHBondContact CG2-OE2 3.43Å
634	Y	50.6	Low	69.7	Low	214 Å²	214	57.8 Å²	57.8	84%	0.839	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.6	-4	171.3	-58.7	-94.3	0	0	0	118.2	S632 K636	S632-Y634 PolarHBondContact O-N 3.37Å; Y634-K636 PolarHBondContact O-N 3.25Å
635	I	51.4	Low	68.9	Low	19 Å²	19	54.9 Å²	54.9	10%	0.097	28%	0.284	C	S	.	.			trans	-82.6	46.1	174.4	-46	-179	0	0	0	110.7	I630 G637 I638 V675 T679	I630-I635 HydrophobicContact CB-CD1 4.47Å; I630-I635 HydrophobicContact CG2-CB 4.14Å; I630-I635 HydrophobicContact CG2-CD1 3.84Å; I630-I635 HydrophobicContact CG2-CG1 4.48Å; I630-I635 HydrophobicContact CG2-CG2 4.29Å; I630-I635 WeakPolarHBondContact O-CB 3.38Å; I635-G637 VanDerWaalsContact C-N 3.29Å; I635-G637 PolarHBondContact O-N 3.42Å; I635-I638 HydrophobicContact CG2-CB 3.64Å; I635-I638 HydrophobicContact CG2-CD1 3.2Å; I635-I638 HydrophobicContact CG2-CG1 3.32Å; I635-V675 HydrophobicContact CD1-CG1 4.46Å; I635-V675 HydrophobicContact CD1-CG2 4.32Å; I635-T679 HydrophobicContact CD1-CG2 4.15Å
636	K	45.4	Very low	67.4	Low	168 Å²	168	56.2 Å²	56.2	73%	0.73	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.3	81.8	173.9	-76.7	-175.2	178.6	175.5	0	108.9	Y634 F670	Y634-K636 PolarHBondContact O-N 3.25Å; K636-F670 WeakPolarHBondContact O-CE1 3.37Å; K636-F670 WeakPolarHBondContact O-CZ 3.27Å
637	G	47.3	Very low	66.1	Low	20 Å²	20	56.8 Å²	56.8	21%	0.206	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	163.2	-19.4	177.6	0	0	0	0	0	114.3	I635 I639	I635-G637 VanDerWaalsContact C-N 3.29Å; I635-G637 PolarHBondContact O-N 3.42Å; G637-I639 WeakPolarHBondContact O-CG1 3.39Å; G637-I639 PolarHBondContact O-N 3.02Å
638	I	51.7	Low	65.2	Low	15 Å²	15	55.5 Å²	55.5	8%	0.077	29%	0.291	C	S	.	.			trans	-81.1	102.9	170	-60.4	-173.6	0	0	0	107.3	I635 V641 I661 Y663 V675	I635-I638 HydrophobicContact CG2-CB 3.64Å; I635-I638 HydrophobicContact CG2-CD1 3.2Å; I635-I638 HydrophobicContact CG2-CG1 3.32Å; I638-V641 HydrophobicContact CB-CG2 4.34Å; I638-V641 HydrophobicContact CG2-CG2 3.38Å; I638-I661 HydrophobicContact CD1-CG2 3.82Å; I638-I661 HydrophobicContact CG2-CG2 3.72Å; I638-Y663 HydrophobicContact CD1-CD1 4.44Å; I638-Y663 HydrophobicContact CD1-CE1 3.96Å; I638-V675 HydrophobicContact CD1-CB 4.49Å; I638-V675 HydrophobicContact CD1-CG2 3.08Å
639	I	51.1	Low	64.2	Low	113 Å²	113	53.4 Å²	53.4	58%	0.579	29%	0.287	S	S	*	.			trans	-81.6	-27.2	-172.7	-40.5	-172	0	0	0	110.3	G637 S665	G637-I639 WeakPolarHBondContact O-CG1 3.39Å; G637-I639 PolarHBondContact O-N 3.02Å; I639-S665 WeakPolarHBondContact CB-OG 3.5Å; I639-S665 WeakPolarHBondContact CD1-O 3.46Å
640	N	66.6	Low	62.8	Low	70 Å²	70	61 Å²	61	37%	0.374	32%	0.316	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	88.2	-173.9	-69.3	-12.1	0	0	0	111.2	D662	N640-D662 HydrophobicContact CB-CB 3.85Å; N640-D662 PolarHBondContact ND2-OD2 2.98Å; N640-D662 PolarHBondContact O-N 3.39Å
641	V	72.1	Confident	62.2	Low	23 Å²	23	63 Å²	63	14%	0.139	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	121.5	161.8	-173	0	0	0	0	108.6	L627 I630 I638 L659 V660 I661	L627-V641 HydrophobicContact CD2-CB 3.96Å; L627-V641 HydrophobicContact CD2-CG1 3.81Å; L627-V641 WeakPolarHBondContact CD2-O 3.38Å; I630-V641 HydrophobicContact CD1-CG1 3.99Å; I630-V641 HydrophobicContact CG2-CG2 4.14Å; I638-V641 HydrophobicContact CB-CG2 4.34Å; I638-V641 HydrophobicContact CG2-CG2 3.38Å; V641-L659 HydrophobicContact CG1-CB 4.39Å; V641-L659 HydrophobicContact CG1-CD2 3.82Å; V641-V660 CarbonylContact C-O 3.57Å; V641-V660 WeakPolarHBondContact CA-O 3.45Å; V641-I661 HydrophobicContact CG1-CG1 4.19Å; V641-I661 HydrophobicContact CG2-CG1 4.19Å
642	T	75	Confident	61.7	Low	82 Å²	82	61.2 Å²	61.2	50%	0.503	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	124.4	171.1	59.1	0	0	0	0	109.4	L659 V660	T642-L659 WeakPolarHBondContact O-CA 3.27Å; T642-V660 PolarHBondContact N-O 3.33Å; T642-V660 PolarHBondContact O-N 3Å; T642-V660 WeakPolarHBondContact OG1-CB 3.5Å
643	C	80.6	Confident	62.1	Low	22 Å²	22	58.3 Å²	58.3	15%	0.149	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	134.6	171.4	176.1	0	0	0	0	110.4	C623 L627 M658 L659	C623-C643 WeakPolarHBondContact CA-SG 3.3Å; C623-C643 HydrophobicContact CB-CB 3.62Å; C623-C643 WeakPolarHBondContact CB-SG 3.49Å; C623-C643 WeakPolarHBondContact SG-CB 3.21Å; C623-C643 PolarHBondContact SG-O 2.66Å; C623-C643 CovalentContact SG-SG 2.06Å; C623-C643 PolarHBondContact SG-SG 3.41Å; L627-C643 HydrophobicContact CD1-CB 4.18Å; L627-C643 HydrophobicContact CD2-CB 4.11Å; L627-C643 HydrophobicContact CG-CB 3.96Å; C643-M658 CarbonylContact C-O 3.56Å; C643-M658 WeakPolarHBondContact CA-O 3.23Å; C643-L659 HydrophobicContact CB-CD2 3.8Å
644	T	76.7	Confident	62.9	Low	61 Å²	61	59.9 Å²	59.9	37%	0.374	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	128.6	170.9	-57.7	0	0	0	0	109.4	A657 M658	T644-A657 CarbonylContact O-C 3.58Å; T644-A657 WeakPolarHBondContact O-CA 3.07Å; T644-M658 PolarHBondContact N-O 3.43Å; T644-M658 PolarHBondContact O-N 3.35Å
645	V	71.3	Confident	63.9	Low	16 Å²	16	49.7 Å²	49.7	10%	0.097	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	120.2	171.4	176.4	0	0	0	0	109	I622 F648 A657	I622-V645 HydrophobicContact CB-CG2 4.31Å; I622-V645 HydrophobicContact CG2-CG2 4.19Å; V645-F648 HydrophobicContact CG1-CE1 4.5Å; V645-F648 HydrophobicContact CG1-CE2 4.16Å; V645-F648 HydrophobicContact CG1-CZ 3.94Å; V645-A657 HydrophobicContact CG2-CB 4.39Å
646	V	57.9	Low	64.9	Low	35 Å²	35	50.7 Å²	50.7	21%	0.212	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.8	-37.3	177	177	0	0	0	0	110	N656 M658 L843 Q846	V646-N656 HydrophobicContact CB-CB 4.12Å; V646-N656 PolarHBondContact N-O 2.89Å; V646-M658 HydrophobicContact CG2-CB 4.19Å; V646-L843 HydrophobicContact CB-CD1 4.43Å; V646-L843 HydrophobicContact CG1-CD1 3.93Å; V646-L843 HydrophobicContact CG2-CD1 4.02Å; V646-Q846 PolarHBondContact O-OE1 3.06Å
647	G	60.7	Low	66.1	Low	11 Å²	11	42.8 Å²	42.8	11%	0.113	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	150.6	-171.6	172.4	0	0	0	0	0	113.1	N656	G647-N656 PolarHBondContact N-O 3.14Å; G647-N656 PolarHBondContact O-N 3.26Å; G647-N656 PolarHBondContact O-ND2 2.93Å
648	F	68.3	Low	67	Low	17 Å²	17	43 Å²	43	8%	0.075	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	140.8	-176.3	-54.8	-82.7	0	0	0	110.9	L594 W603 L607 Y615 Y618 I622 V645 V653 I654	L594-F648 HydrophobicContact CD1-CD1 3.93Å; L594-F648 HydrophobicContact CD1-CE1 3.75Å; W603-F648 HydrophobicContact CH2-CB 4.15Å; W603-F648 HydrophobicContact CZ3-CB 3.83Å; L607-F648 HydrophobicContact CB-CB 4.1Å; L607-F648 HydrophobicContact CB-CD2 4.14Å; L607-F648 HydrophobicContact CB-CG 4.26Å; L607-F648 HydrophobicContact CD1-CB 4.45Å; L607-F648 HydrophobicContact CD1-CG 4.47Å; L607-F648 HydrophobicContact CD2-CD2 4.03Å; L607-F648 HydrophobicContact CD2-CE2 4.21Å; L607-F648 HydrophobicContact CD2-CG 4.3Å; Y615-F648 HydrophobicContact CD1-CE2 4.36Å; Y615-F648 AromaticContact CD2-CD2 3.57Å; Y615-F648 HydrophobicContact CD2-CD2 3.57Å; Y615-F648 AromaticContact CD2-CE2 3.53Å; Y615-F648 HydrophobicContact CD2-CE2 3.53Å; Y615-F648 HydrophobicContact CE1-CE2 4.43Å; Y615-F648 AromaticContact CE2-CD2 3.58Å; Y615-F648 HydrophobicContact CE2-CD2 3.58Å; Y615-F648 AromaticContact CE2-CE2 3.63Å; Y615-F648 HydrophobicContact CE2-CE2 3.63Å; Y615-F648 HydrophobicContact CG-CD2 4.37Å; Y615-F648 AromaticContact CG-CE2 3.91Å; Y615-F648 HydrophobicContact CG-CE2 3.91Å; Y618-F648 HydrophobicContact CD1-CE1 4.27Å; I622-F648 HydrophobicContact CD1-CE1 3.52Å; I622-F648 HydrophobicContact CD1-CZ 4.07Å; V645-F648 HydrophobicContact CG1-CE1 4.5Å; V645-F648 HydrophobicContact CG1-CE2 4.16Å; V645-F648 HydrophobicContact CG1-CZ 3.94Å; F648-V653 HydrophobicContact CB-CG1 4.36Å; F648-V653 HydrophobicContact CD1-CG1 3.89Å; F648-V653 HydrophobicContact CG-CG1 4.46Å; F648-I654 CarbonylContact C-O 3.55Å; F648-I654 VanDerWaalsContact CA-O 3.25Å; F648-I654 WeakPolarHBondContact CA-O 3.45Å
649	S	64.4	Low	68.1	Low	52 Å²	52	42.2 Å²	42.2	36%	0.364	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	144.5	177.5	-47.3	0	0	0	0	112	W603 I654 N656	W603-S649 WeakPolarHBondContact CZ3-O 3.36Å; S649-I654 PolarHBondContact N-O 2.84Å; S649-I654 PolarHBondContact O-N 2.96Å; S649-I654 VanDerWaalsContact O-N 3.16Å; S649-N656 PolarHBondContact OG-ND2 3.49Å
650	R	54.5	Low	68.9	Low	161 Å²	161	38.3 Å²	38.3	61%	0.608	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.1	138.8	179	-86.3	-175.5	165.4	175.5	-1.6	111.1	W603 D605	W603-R650 HydrophobicContact CD2-CB 4.35Å; W603-R650 HydrophobicContact CD2-CG 3.63Å; W603-R650 HydrophobicContact CE3-CG 4.16Å; W603-R650 HydrophobicContact CG-CG 4.06Å; W603-R650 HydrophobicContact CH2-CG 4.1Å; W603-R650 HydrophobicContact CZ2-CG 3.55Å; W603-R650 HydrophobicContact CZ3-CG 4.38Å; D605-R650 IonicContact OD1-CZ 2.86Å; D605-R650 IonicContact OD1-NE 3.97Å; D605-R650 IonicContact OD1-NH2 2.95Å; D605-R650 PolarHBondContact OD1-NH2 3.37Å; D605-R650 IonicContact OD2-NH2 3.63Å
651	G	62.1	Low	69.2	Low	45 Å²	45	35.1 Å²	35.1	46%	0.464	21%	0.206	S	C	.	.	T	Hydrogen-bonded Turn	trans	138.6	-148.6	-170.5	0	0	0	0	0	109.5	V653	G651-V653 PolarHBondContact O-N 3.31Å
652	S	63.8	Low	68.8	Low	59 Å²	59	35.9 Å²	35.9	41%	0.413	21%	0.21	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	45.4	167.5	-69	0	0	0	0	112.7	T593 L601	T593-S652 VanDerWaalsContact CG2-CB 3.46Å; T593-S652 WeakPolarHBondContact CG2-O 3.35Å; L601-S652 CarbonylContact O-C 3.49Å; L601-S652 VanDerWaalsContact O-CA 3.3Å; L601-S652 WeakPolarHBondContact O-CA 3.37Å
653	V	75.2	Confident	68	Low	0 Å²	0	33.3 Å²	33.3	0%	0	19%	0.191	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.4	91.3	-170	-169.8	0	0	0	0	112.4	L594 L601 E602 W603 L607 Y618 F648 G651	L594-V653 WeakPolarHBondContact CB-O 3.13Å; L594-V653 HydrophobicContact CD1-CG1 3.83Å; L594-V653 HydrophobicContact CG-CG1 4.49Å; L594-V653 WeakPolarHBondContact CG-O 3.41Å; L594-V653 PolarHBondContact N-O 2.97Å; L601-V653 HydrophobicContact CB-CB 4.02Å; L601-V653 HydrophobicContact CB-CG2 3.83Å; E602-V653 WeakPolarHBondContact O-CG2 3.3Å; W603-V653 HydrophobicContact CE3-CG2 4.2Å; L607-V653 HydrophobicContact CD1-CB 4.45Å; L607-V653 HydrophobicContact CD1-CG1 3.59Å; L607-V653 HydrophobicContact CD1-CG2 3.9Å; Y618-V653 HydrophobicContact CE1-CG1 4.48Å; F648-V653 HydrophobicContact CB-CG1 4.36Å; F648-V653 HydrophobicContact CD1-CG1 3.89Å; F648-V653 HydrophobicContact CG-CG1 4.46Å; G651-V653 PolarHBondContact O-N 3.31Å
654	I	73.3	Confident	66.7	Low	55 Å²	55	34.9 Å²	34.9	28%	0.282	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	122.8	173.4	-56	172.6	0	0	0	107.8	S591 S592 F648 S649	S591-I654 WeakPolarHBondContact OG-CG2 3.36Å; S592-I654 WeakPolarHBondContact O-CA 3.27Å; F648-I654 CarbonylContact C-O 3.55Å; F648-I654 VanDerWaalsContact CA-O 3.25Å; F648-I654 WeakPolarHBondContact CA-O 3.45Å; S649-I654 PolarHBondContact N-O 2.84Å; S649-I654 PolarHBondContact O-N 2.96Å; S649-I654 VanDerWaalsContact O-N 3.16Å
655	G	72.1	Confident	65.3	Low	0 Å²	0	33.4 Å²	33.4	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	131.6	175.2	0	0	0	0	0	110.2	S591 S592	S591-G655 VanDerWaalsContact CA-O 3.32Å; S591-G655 WeakPolarHBondContact CA-O 3.39Å; S591-G655 PolarHBondContact OG-O 3.37Å; S592-G655 PolarHBondContact N-O 3.23Å; S592-G655 PolarHBondContact O-N 2.8Å
656	N	71.9	Confident	64.2	Low	40 Å²	40	35.4 Å²	35.4	21%	0.214	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	119.7	175.6	-53.2	-81.1	0	0	0	108.7	S591 V646 G647 S649	S591-N656 WeakPolarHBondContact CB-OD1 3.39Å; S591-N656 PolarHBondContact OG-OD1 3.47Å; V646-N656 HydrophobicContact CB-CB 4.12Å; V646-N656 PolarHBondContact N-O 2.89Å; G647-N656 PolarHBondContact N-O 3.14Å; G647-N656 PolarHBondContact O-N 3.26Å; G647-N656 PolarHBondContact O-ND2 2.93Å; S649-N656 PolarHBondContact OG-ND2 3.49Å
657	A	72	Confident	63.4	Low	2 Å²	2	37 Å²	37	2%	0.017	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	155.8	-179.3	0	0	0	0	0	111	T589 V590 I622 L626 T644 V645 F701	T589-A657 CarbonylContact C-O 3.54Å; T589-A657 WeakPolarHBondContact CA-O 3.48Å; V590-A657 PolarHBondContact N-O 3.15Å; V590-A657 PolarHBondContact O-N 3.15Å; I622-A657 HydrophobicContact CG2-CB 4.03Å; L626-A657 HydrophobicContact CD1-CB 3.54Å; T644-A657 CarbonylContact O-C 3.58Å; T644-A657 WeakPolarHBondContact O-CA 3.07Å; V645-A657 HydrophobicContact CG2-CB 4.39Å; A657-F701 HydrophobicContact CB-CZ 4.47Å
658	M	66.3	Low	62.5	Low	23 Å²	23	45.2 Å²	45.2	11%	0.113	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	133.4	179.5	-176.5	177.5	70.6	0	0	109.1	I587 I588 C643 T644 V646 V660 L843	I587-M658 HydrophobicContact CG2-CG 3.59Å; I587-M658 HydrophobicContact CG2-SD 3.64Å; I588-M658 CarbonylContact O-C 3.59Å; I588-M658 WeakPolarHBondContact O-CA 3.43Å; C643-M658 CarbonylContact C-O 3.56Å; C643-M658 WeakPolarHBondContact CA-O 3.23Å; T644-M658 PolarHBondContact N-O 3.43Å; T644-M658 PolarHBondContact O-N 3.35Å; V646-M658 HydrophobicContact CG2-CB 4.19Å; M658-V660 HydrophobicContact CE-CG2 4.02Å; M658-L843 HydrophobicContact CE-CD2 4.44Å; M658-L843 HydrophobicContact SD-CD2 4.05Å
659	L	74.5	Confident	61	Low	0 Å²	0	51.7 Å²	51.7	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	120.2	175.5	-66.7	162.4	0	0	0	108	I587 I588 V590 L626 I630 V641 T642 C643 V680	I587-L659 CarbonylContact C-O 3.59Å; I587-L659 WeakPolarHBondContact CA-O 3.27Å; I588-L659 HydrophobicContact CB-CB 4.35Å; I588-L659 PolarHBondContact N-O 3Å; I588-L659 PolarHBondContact O-N 3.19Å; V590-L659 HydrophobicContact CG2-CD1 4Å; L626-L659 HydrophobicContact CB-CD1 4.48Å; L626-L659 HydrophobicContact CB-CD2 4.03Å; L626-L659 HydrophobicContact CD1-CD1 4.41Å; L626-L659 HydrophobicContact CD1-CD2 4.38Å; L626-L659 HydrophobicContact CD1-CG 4.36Å; I630-L659 HydrophobicContact CD1-CD1 3.66Å; I630-L659 HydrophobicContact CD1-CD2 3.82Å; I630-L659 HydrophobicContact CD1-CG 4.29Å; V641-L659 HydrophobicContact CG1-CB 4.39Å; V641-L659 HydrophobicContact CG1-CD2 3.82Å; T642-L659 WeakPolarHBondContact O-CA 3.27Å; C643-L659 HydrophobicContact CB-CD2 3.8Å; L659-V680 HydrophobicContact CD1-CG1 4.05Å
660	V	68.7	Low	59.8	Low	31 Å²	31	55 Å²	55	19%	0.188	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	122.5	169.9	-177.1	0	0	0	0	107.3	T585 I587 V641 T642 M658	T585-V660 HydrophobicContact CG2-CG1 3.8Å; I587-V660 HydrophobicContact CD1-CG2 4.4Å; I587-V660 HydrophobicContact CG1-CG1 4.31Å; I587-V660 HydrophobicContact CG1-CG2 4.24Å; I587-V660 HydrophobicContact CG2-CG2 4.45Å; V641-V660 CarbonylContact C-O 3.57Å; V641-V660 WeakPolarHBondContact CA-O 3.45Å; T642-V660 PolarHBondContact N-O 3.33Å; T642-V660 PolarHBondContact O-N 3Å; T642-V660 WeakPolarHBondContact OG1-CB 3.5Å; M658-V660 HydrophobicContact CE-CG2 4.02Å
661	I	70.8	Confident	59.1	Low	2 Å²	2	52.1 Å²	52.1	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	113.9	-174.8	-62	177.2	0	0	0	107.4	T585 A586 I588 I638 V641 Y663 V675	T585-I661 CarbonylContact C-O 3.53Å; T585-I661 VanDerWaalsContact CA-O 3.3Å; T585-I661 WeakPolarHBondContact CA-O 3.42Å; T585-I661 VanDerWaalsContact CG2-O 3.3Å; T585-I661 WeakPolarHBondContact CG2-O 3.2Å; A586-I661 HydrophobicContact CB-CB 4.27Å; A586-I661 PolarHBondContact N-O 3.1Å; A586-I661 PolarHBondContact O-N 3.48Å; I588-I661 HydrophobicContact CD1-CD1 3.76Å; I588-I661 HydrophobicContact CG1-CD1 4.45Å; I638-I661 HydrophobicContact CD1-CG2 3.82Å; I638-I661 HydrophobicContact CG2-CG2 3.72Å; V641-I661 HydrophobicContact CG1-CG1 4.19Å; V641-I661 HydrophobicContact CG2-CG1 4.19Å; I661-Y663 HydrophobicContact CG2-CD1 4.33Å; I661-Y663 HydrophobicContact CG2-CE1 3.92Å; I661-Y663 HydrophobicContact CG2-CE2 4.17Å; I661-V675 HydrophobicContact CD1-CB 3.92Å; I661-V675 HydrophobicContact CD1-CG1 3.64Å; I661-V675 HydrophobicContact CD1-CG2 4.18Å
662	D	65.3	Low	57.9	Low	39 Å²	39	55 Å²	55	21%	0.209	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	110.3	179.1	169.9	22.2	0	0	0	110.2	T585 N640 S664	T585-D662 HydrophobicContact CG2-CB 4.44Å; N640-D662 HydrophobicContact CB-CB 3.85Å; N640-D662 PolarHBondContact ND2-OD2 2.98Å; N640-D662 PolarHBondContact O-N 3.39Å; D662-S664 VanDerWaalsContact C-N 3.29Å; D662-S664 PolarHBondContact O-N 2.89Å; D662-S664 WeakPolarHBondContact OD1-CB 3.29Å; D662-S664 PolarHBondContact OD1-N 2.89Å; D662-S664 PolarHBondContact OD1-OG 3.3Å; D662-S664 PolarHBondContact OD2-OG 2.97Å
663	Y	58.3	Low	57.1	Low	28 Å²	28	56.3 Å²	56.3	11%	0.11	33%	0.33	C	S	.	.	G	3₁₀ helix	trans	-80.5	-7.8	-179.1	-60.7	-76.7	0	0	0	113.1	K584 A586 I638 I661 S665 T666 V675	K584-Y663 HydrophobicContact CB-CD2 3.77Å; K584-Y663 HydrophobicContact CB-CG 4.31Å; K584-Y663 HydrophobicContact CD-CD2 4.33Å; K584-Y663 HydrophobicContact CG-CD2 3.87Å; K584-Y663 HydrophobicContact CG-CE2 4.32Å; K584-Y663 VanDerWaalsContact O-CB 3.28Å; K584-Y663 WeakPolarHBondContact O-CB 3.36Å; K584-Y663 WeakPolarHBondContact O-CD2 3.27Å; K584-Y663 PolarHBondContact O-N 3.49Å; A586-Y663 HydrophobicContact CB-CE2 3.65Å; I638-Y663 HydrophobicContact CD1-CD1 4.44Å; I638-Y663 HydrophobicContact CD1-CE1 3.96Å; I661-Y663 HydrophobicContact CG2-CD1 4.33Å; I661-Y663 HydrophobicContact CG2-CE1 3.92Å; I661-Y663 HydrophobicContact CG2-CE2 4.17Å; Y663-S665 PolarHBondContact O-N 2.64Å; Y663-T666 HydrophobicContact CD1-CG2 4.46Å; Y663-T666 WeakPolarHBondContact O-CG2 3.37Å; Y663-T666 PolarHBondContact O-N 2.96Å; Y663-T666 VanDerWaalsContact O-N 3.1Å; Y663-T666 PolarHBondContact O-OG1 2.73Å; Y663-V675 HydrophobicContact CE1-CG2 4.16Å; Y663-V675 WeakPolarHBondContact OH-CB 3.24Å; Y663-V675 PolarHBondContact OH-N 2.95Å
664	S	52.3	Low	56	Low	55 Å²	55	59.2 Å²	59.2	39%	0.385	35%	0.348	S	S	.	.	G	3₁₀ helix	trans	-59.9	-21	-177.7	69.3	0	0	0	0	113.9	D662	D662-S664 VanDerWaalsContact C-N 3.29Å; D662-S664 PolarHBondContact O-N 2.89Å; D662-S664 WeakPolarHBondContact OD1-CB 3.29Å; D662-S664 PolarHBondContact OD1-N 2.89Å; D662-S664 PolarHBondContact OD1-OG 3.3Å; D662-S664 PolarHBondContact OD2-OG 2.97Å
665	S	47.7	Very low	55.5	Low	30 Å²	30	56.9 Å²	56.9	21%	0.21	34%	0.336	C	S	.	.	G	3₁₀ helix	trans	-96.8	2.6	-177.6	60.9	0	0	0	0	114.3	I639 Y663 S667	I639-S665 WeakPolarHBondContact CB-OG 3.5Å; I639-S665 WeakPolarHBondContact CD1-O 3.46Å; Y663-S665 PolarHBondContact O-N 2.64Å; S665-S667 PolarHBondContact O-N 2.81Å; S665-S667 VanDerWaalsContact O-N 3.16Å
666	T	47.5	Very low	55.2	Low	59 Å²	59	59.8 Å²	59.8	36%	0.362	35%	0.354	S	S	.	.			trans	-67	117.4	-178.4	54.1	0	0	0	0	110.3	Y663	Y663-T666 HydrophobicContact CD1-CG2 4.46Å; Y663-T666 WeakPolarHBondContact O-CG2 3.37Å; Y663-T666 PolarHBondContact O-N 2.96Å; Y663-T666 VanDerWaalsContact O-N 3.1Å; Y663-T666 PolarHBondContact O-OG1 2.73Å
667	S	41.2	Very low	55	Low	67 Å²	67	60.9 Å²	60.9	47%	0.469	36%	0.358	S	S	.	.			trans	-60.8	139.1	175	63.1	0	0	0	0	110.1	S665 N669	S665-S667 PolarHBondContact O-N 2.81Å; S665-S667 VanDerWaalsContact O-N 3.16Å; S667-N669 PolarHBondContact O-N 3.14Å
668	E	42.1	Very low	54.9	Low	184 Å²	184	65.3 Å²	65.3	86%	0.86	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-43.1	-4.3	-172.4	-67.9	173.1	179.2	0	0	119.3
669	N	36.4	Very low	55.2	Low	154 Å²	154	66.8 Å²	66.8	82%	0.824	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.5	12.2	-174.8	-96.6	-24.3	0	0	0	115.7	S667	S667-N669 PolarHBondContact O-N 3.14Å
670	F	38.9	Very low	55.4	Low	121 Å²	121	66.8 Å²	66.8	53%	0.531	39%	0.392	S	S	.	.			trans	-99.8	116.3	-175.3	-79.2	-81.4	0	0	0	114.3	K636 S672	K636-F670 WeakPolarHBondContact O-CE1 3.37Å; K636-F670 WeakPolarHBondContact O-CZ 3.27Å; F670-S672 VanDerWaalsContact C-N 3.32Å; F670-S672 PolarHBondContact O-N 3.38Å
671	S	40.8	Very low	56	Low	101 Å²	101	69.9 Å²	69.9	71%	0.706	40%	0.4	S	S	*	.			trans	-56.2	91.5	158.8	153	0	0	0	0	108.9	A673	S671-A673 PolarHBondContact O-N 3.19Å
672	S	37.3	Very low	56.5	Low	106 Å²	106	74.8 Å²	74.8	74%	0.741	43%	0.426	S	S	*	.			trans	24.4	25.2	147.7	71.8	0	0	0	0	120.9	F670 V674	F670-S672 VanDerWaalsContact C-N 3.32Å; F670-S672 PolarHBondContact O-N 3.38Å; S672-V674 PolarHBondContact O-N 2.92Å
673	A	45.9	Very low	57.3	Low	86 Å²	86	73.1 Å²	73.1	71%	0.711	42%	0.418	S	S	*	.			trans	-76.7	84.2	178.8	0	0	0	0	0	106.7	S671 V675	S671-A673 PolarHBondContact O-N 3.19Å; A673-V675 PolarHBondContact O-N 2.75Å
674	V	52.9	Low	58.5	Low	61 Å²	61	71.8 Å²	71.8	37%	0.37	41%	0.412	S	S	.	.			trans	-55	129.6	171.7	179.7	0	0	0	0	107.2	S672 T676	S672-V674 PolarHBondContact O-N 2.92Å; V674-T676 PolarHBondContact O-N 2.78Å
675	V	62.5	Low	60.1	Low	6 Å²	6	72 Å²	72	4%	0.036	41%	0.411	C	S	.	.			trans	-70.3	105.8	172.9	-177	0	0	0	0	107.7	I588 I635 I638 I661 Y663 A673 V680	I588-V675 HydrophobicContact CD1-CG1 3.79Å; I635-V675 HydrophobicContact CD1-CG1 4.46Å; I635-V675 HydrophobicContact CD1-CG2 4.32Å; I638-V675 HydrophobicContact CD1-CB 4.49Å; I638-V675 HydrophobicContact CD1-CG2 3.08Å; I661-V675 HydrophobicContact CD1-CB 3.92Å; I661-V675 HydrophobicContact CD1-CG1 3.64Å; I661-V675 HydrophobicContact CD1-CG2 4.18Å; Y663-V675 HydrophobicContact CE1-CG2 4.16Å; Y663-V675 WeakPolarHBondContact OH-CB 3.24Å; Y663-V675 PolarHBondContact OH-N 2.95Å; A673-V675 PolarHBondContact O-N 2.75Å; V675-V680 HydrophobicContact CG1-CG2 3.37Å
676	T	66.5	Low	61.8	Low	61 Å²	61	76.1 Å²	76.1	37%	0.374	43%	0.427	S	S	.	.			trans	-91.3	166.7	173.6	62.4	0	0	0	0	111.2	V674 D678 T679 V680	V674-T676 PolarHBondContact O-N 2.78Å; T676-D678 VanDerWaalsContact C-N 3.26Å; T676-D678 PolarHBondContact O-N 2.91Å; T676-T679 WeakPolarHBondContact O-CB 3.33Å; T676-T679 PolarHBondContact O-N 3.49Å; T676-T679 PolarHBondContact OG1-N 2.84Å; T676-T679 PolarHBondContact OG1-OG1 3.37Å; T676-V680 PolarHBondContact O-N 2.94Å; T676-V680 VanDerWaalsContact O-N 3.15Å
677	E	67.3	Low	63.7	Low	63 Å²	63	75.2 Å²	75.2	29%	0.294	42%	0.417	S	S	.	.	H	α-helix	trans	-50.6	-46.9	171.2	-65.1	178.3	-178.2	0	0	112	T679 V680 R681 I709 E710 T711	E677-T679 VanDerWaalsContact C-N 3.28Å; E677-T679 PolarHBondContact O-N 3.47Å; E677-V680 PolarHBondContact O-N 3.39Å; E677-R681 VanDerWaalsContact O-CB 3.29Å; E677-R681 WeakPolarHBondContact O-CB 3.19Å; E677-R681 PolarHBondContact O-N 2.92Å; E677-I709 HydrophobicContact CB-CG2 4.42Å; E677-E710 WeakPolarHBondContact OE1-CA 3.49Å; E677-T711 HydrophobicContact CB-CG2 4.48Å; E677-T711 VanDerWaalsContact CD-N 3.35Å; E677-T711 HydrophobicContact CG-CG2 3.42Å; E677-T711 VanDerWaalsContact CG-CG2 3.42Å; E677-T711 VanDerWaalsContact CG-N 3.3Å; E677-T711 VanDerWaalsContact CG-OG1 3.32Å; E677-T711 WeakPolarHBondContact CG-OG1 3.36Å; E677-T711 PolarHBondContact OE1-N 3.29Å; E677-T711 PolarHBondContact OE1-OG1 3.35Å
678	D	69.4	Low	65.8	Low	94 Å²	94	72.1 Å²	72.1	50%	0.503	40%	0.396	S	S	.	.	H	α-helix	trans	-63	-35.8	179.1	-72.9	-31.2	0	0	0	112.3	T676 R681 N682	T676-D678 VanDerWaalsContact C-N 3.26Å; T676-D678 PolarHBondContact O-N 2.91Å; D678-R681 PolarHBondContact O-N 2.84Å; D678-N682 VanDerWaalsContact O-CB 3.3Å; D678-N682 WeakPolarHBondContact O-CB 3.33Å; D678-N682 PolarHBondContact O-N 3.5Å; D678-N682 PolarHBondContact O-ND2 3.35Å; D678-N682 VanDerWaalsContact O-ND2 3.14Å
679	T	73.4	Confident	67.9	Low	55 Å²	55	66.1 Å²	66.1	34%	0.337	38%	0.378	S	S	.	.	H	α-helix	trans	-64.4	-47.3	178	-53.5	0	0	0	0	110.3	I635 T676 E677 A683	I635-T679 HydrophobicContact CD1-CG2 4.15Å; T676-T679 WeakPolarHBondContact O-CB 3.33Å; T676-T679 PolarHBondContact O-N 3.49Å; T676-T679 PolarHBondContact OG1-N 2.84Å; T676-T679 PolarHBondContact OG1-OG1 3.37Å; E677-T679 VanDerWaalsContact C-N 3.28Å; E677-T679 PolarHBondContact O-N 3.47Å; T679-A683 VanDerWaalsContact O-CB 3.28Å; T679-A683 WeakPolarHBondContact O-CB 3.37Å; T679-A683 PolarHBondContact O-N 2.87Å
680	V	78	Confident	70.2	Confident	0 Å²	0	64 Å²	64	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-67.8	-40.5	176.3	-179.9	0	0	0	0	111.3	I588 L659 V675 T676 E677 N682 A683 V684 I709	I588-V680 HydrophobicContact CD1-CB 4.47Å; I588-V680 HydrophobicContact CD1-CG2 3.45Å; I588-V680 VanDerWaalsContact CD1-CG2 3.45Å; I588-V680 HydrophobicContact CG2-CG1 4.37Å; I588-V680 HydrophobicContact CG2-CG2 4.42Å; L659-V680 HydrophobicContact CD1-CG1 4.05Å; V675-V680 HydrophobicContact CG1-CG2 3.37Å; T676-V680 PolarHBondContact O-N 2.94Å; T676-V680 VanDerWaalsContact O-N 3.15Å; E677-V680 PolarHBondContact O-N 3.39Å; V680-N682 PolarHBondContact O-N 2.94Å; V680-A683 WeakPolarHBondContact O-CB 3.25Å; V680-A683 PolarHBondContact O-N 3.29Å; V680-V684 HydrophobicContact CG1-CG2 4.07Å; V680-V684 WeakPolarHBondContact O-CB 3.29Å; V680-V684 VanDerWaalsContact O-CG2 3.24Å; V680-V684 WeakPolarHBondContact O-CG2 3.45Å; V680-V684 PolarHBondContact O-N 2.99Å; V680-I709 HydrophobicContact CB-CG2 4.21Å; V680-I709 HydrophobicContact CG1-CD1 4.43Å; V680-I709 HydrophobicContact CG1-CG2 4.25Å
681	R	82.4	Confident	72.3	Confident	96 Å²	96	58.6 Å²	58.6	36%	0.362	34%	0.339	S	S	.	.	H	α-helix	trans	-59.1	-49.8	177.5	-178.9	-179.3	-82.9	169.1	-4.6	111.6	E677 D678 A683 V684 V685 I709	E677-R681 VanDerWaalsContact O-CB 3.29Å; E677-R681 WeakPolarHBondContact O-CB 3.19Å; E677-R681 PolarHBondContact O-N 2.92Å; D678-R681 PolarHBondContact O-N 2.84Å; R681-A683 PolarHBondContact O-N 2.76Å; R681-V684 PolarHBondContact O-N 3.31Å; R681-V685 HydrophobicContact CG-CG2 4.39Å; R681-V685 WeakPolarHBondContact O-CB 3.31Å; R681-V685 WeakPolarHBondContact O-CG2 3.31Å; R681-V685 PolarHBondContact O-N 3.19Å; R681-I709 HydrophobicContact CB-CD1 3.67Å; R681-I709 HydrophobicContact CG-CD1 4.12Å
682	N	80.3	Confident	74.3	Confident	105 Å²	105	56.3 Å²	56.3	56%	0.561	32%	0.321	S	S	*	.	H	α-helix	trans	-63.2	-43.9	178.9	-68.8	-24.6	0	0	0	111.2	D678 V680 V684 V685 E686	D678-N682 VanDerWaalsContact O-CB 3.3Å; D678-N682 WeakPolarHBondContact O-CB 3.33Å; D678-N682 PolarHBondContact O-N 3.5Å; D678-N682 PolarHBondContact O-ND2 3.35Å; D678-N682 VanDerWaalsContact O-ND2 3.14Å; V680-N682 PolarHBondContact O-N 2.94Å; N682-V684 PolarHBondContact O-N 3.08Å; N682-V685 PolarHBondContact O-N 2.84Å; N682-E686 VanDerWaalsContact O-CB 3.32Å; N682-E686 WeakPolarHBondContact O-CB 3.27Å; N682-E686 PolarHBondContact O-N 3.22Å
683	A	81.5	Confident	76.5	Confident	3 Å²	3	55.2 Å²	55.2	3%	0.025	32%	0.318	C	S	.	.	H	α-helix	trans	-55.7	-49.3	176.1	0	0	0	0	0	112.9	T633 T679 V680 R681 Y687	T633-A683 VanDerWaalsContact OG1-CA 3.23Å; T633-A683 WeakPolarHBondContact OG1-CA 3.34Å; T633-A683 WeakPolarHBondContact OG1-CB 3.25Å; T679-A683 VanDerWaalsContact O-CB 3.28Å; T679-A683 WeakPolarHBondContact O-CB 3.37Å; T679-A683 PolarHBondContact O-N 2.87Å; V680-A683 WeakPolarHBondContact O-CB 3.25Å; V680-A683 PolarHBondContact O-N 3.29Å; R681-A683 PolarHBondContact O-N 2.76Å; A683-Y687 WeakPolarHBondContact O-CB 3.41Å; A683-Y687 PolarHBondContact O-N 2.85Å; A683-Y687 VanDerWaalsContact O-N 3.13Å
684	V	85.2	Confident	78.2	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-68.5	-44.6	-178.6	171.8	0	0	0	0	110.8	L626 V680 R681 N682 E686 Y687 I688 F701 L707	L626-V684 HydrophobicContact CD2-CG1 4.4Å; L626-V684 HydrophobicContact CD2-CG2 3.65Å; V680-V684 HydrophobicContact CG1-CG2 4.07Å; V680-V684 WeakPolarHBondContact O-CB 3.29Å; V680-V684 VanDerWaalsContact O-CG2 3.24Å; V680-V684 WeakPolarHBondContact O-CG2 3.45Å; V680-V684 PolarHBondContact O-N 2.99Å; R681-V684 PolarHBondContact O-N 3.31Å; N682-V684 PolarHBondContact O-N 3.08Å; V684-E686 PolarHBondContact O-N 3.22Å; V684-Y687 PolarHBondContact O-N 2.78Å; V684-I688 HydrophobicContact CG1-CD1 3.52Å; V684-I688 HydrophobicContact CG1-CG1 4.37Å; V684-I688 WeakPolarHBondContact O-CB 3.37Å; V684-I688 WeakPolarHBondContact O-CD1 3.46Å; V684-I688 WeakPolarHBondContact O-CG1 3.24Å; V684-I688 PolarHBondContact O-N 2.93Å; V684-F701 HydrophobicContact CG1-CD2 4.49Å; V684-L707 HydrophobicContact CG1-CD2 4.28Å
685	V	85.4	Confident	79.4	Confident	59 Å²	59	56.5 Å²	56.5	36%	0.358	33%	0.325	S	S	.	.	H	α-helix	trans	-63.3	-43	179.4	170.5	0	0	0	0	111.6	R681 N682 I688 A689 T703 L707	R681-V685 HydrophobicContact CG-CG2 4.39Å; R681-V685 WeakPolarHBondContact O-CB 3.31Å; R681-V685 WeakPolarHBondContact O-CG2 3.31Å; R681-V685 PolarHBondContact O-N 3.19Å; N682-V685 PolarHBondContact O-N 2.84Å; V685-I688 PolarHBondContact O-N 2.67Å; V685-A689 PolarHBondContact O-N 3.46Å; V685-T703 HydrophobicContact CG2-CG2 4.15Å; V685-L707 HydrophobicContact CG2-CD2 3.92Å
686	E	83.4	Confident	80.2	Confident	118 Å²	118	57.9 Å²	57.9	55%	0.551	33%	0.334	S	S	*	.	H	α-helix	trans	-65.2	-45.1	179.3	-171.8	174.6	-170.9	0	0	111.6	T633 N682 V684 I688 A689 E690	T633-E686 HydrophobicContact CG2-CB 4.14Å; T633-E686 HydrophobicContact CG2-CG 4.26Å; T633-E686 VanDerWaalsContact CG2-OE2 3.27Å; T633-E686 WeakPolarHBondContact CG2-OE2 3.43Å; N682-E686 VanDerWaalsContact O-CB 3.32Å; N682-E686 WeakPolarHBondContact O-CB 3.27Å; N682-E686 PolarHBondContact O-N 3.22Å; V684-E686 PolarHBondContact O-N 3.22Å; E686-I688 PolarHBondContact O-N 3.13Å; E686-A689 WeakPolarHBondContact O-CB 3.07Å; E686-A689 PolarHBondContact O-N 3.29Å; E686-E690 PolarHBondContact O-N 2.96Å; E686-E690 VanDerWaalsContact O-N 3.13Å
687	Y	86.6	Confident	81	Confident	39 Å²	39	59.5 Å²	59.5	15%	0.153	34%	0.341	C	S	.	.	H	α-helix	trans	-65.4	-38.3	177.6	-169.9	-109.6	0	0	0	112.5	L625 H628 S629 A683 V684 A689 E690 I691	L625-Y687 HydrophobicContact CD1-CD1 3.98Å; L625-Y687 HydrophobicContact CD1-CE1 4.05Å; L625-Y687 HydrophobicContact CG-CD1 4.42Å; H628-Y687 HydrophobicContact CB-CE1 3.83Å; H628-Y687 HydrophobicContact CB-CE2 4.1Å; H628-Y687 WeakPolarHBondContact CB-OH 3.32Å; S629-Y687 WeakPolarHBondContact OG-CB 3.31Å; S629-Y687 WeakPolarHBondContact OG-CD1 3.3Å; A683-Y687 WeakPolarHBondContact O-CB 3.41Å; A683-Y687 PolarHBondContact O-N 2.85Å; A683-Y687 VanDerWaalsContact O-N 3.13Å; V684-Y687 PolarHBondContact O-N 2.78Å; Y687-A689 VanDerWaalsContact C-N 3.33Å; Y687-A689 PolarHBondContact O-N 2.67Å; Y687-E690 WeakPolarHBondContact O-CB 3.33Å; Y687-E690 PolarHBondContact O-N 3.42Å; Y687-I691 HydrophobicContact CD1-CD1 3.75Å; Y687-I691 HydrophobicContact CD1-CG1 4.44Å; Y687-I691 HydrophobicContact CE1-CD1 3.52Å; Y687-I691 HydrophobicContact CE1-CG1 4.22Å; Y687-I691 WeakPolarHBondContact O-CG1 3.26Å; Y687-I691 PolarHBondContact O-N 3.22Å
688	I	86.6	Confident	81.9	Confident	3 Å²	3	61 Å²	61	2%	0.015	35%	0.347	C	S	.	.	H	α-helix	trans	-63.7	-40.7	174	-69.2	166.9	0	0	0	110.9	L625 V684 V685 E686 E690 I691 V692 Y700 F701 T703	L625-I688 HydrophobicContact CD1-CG1 4.33Å; L625-I688 HydrophobicContact CD2-CG1 4.5Å; V684-I688 HydrophobicContact CG1-CD1 3.52Å; V684-I688 HydrophobicContact CG1-CG1 4.37Å; V684-I688 WeakPolarHBondContact O-CB 3.37Å; V684-I688 WeakPolarHBondContact O-CD1 3.46Å; V684-I688 WeakPolarHBondContact O-CG1 3.24Å; V684-I688 PolarHBondContact O-N 2.93Å; V685-I688 PolarHBondContact O-N 2.67Å; E686-I688 PolarHBondContact O-N 3.13Å; I688-E690 VanDerWaalsContact C-N 3.25Å; I688-E690 PolarHBondContact O-N 3.11Å; I688-I691 PolarHBondContact O-N 2.81Å; I688-V692 HydrophobicContact CG2-CG2 4.24Å; I688-V692 VanDerWaalsContact O-CG2 3.31Å; I688-V692 WeakPolarHBondContact O-CG2 3.31Å; I688-V692 PolarHBondContact O-N 2.75Å; I688-Y700 HydrophobicContact CG2-CD2 3.54Å; I688-Y700 HydrophobicContact CG2-CE2 4.1Å; I688-Y700 HydrophobicContact CG2-CG 4.2Å; I688-F701 HydrophobicContact CD1-CB 4.01Å; I688-F701 WeakPolarHBondContact CD1-O 3.03Å; I688-T703 HydrophobicContact CB-CG2 4.36Å; I688-T703 HydrophobicContact CD1-CG2 4.08Å; I688-T703 HydrophobicContact CG2-CG2 3.99Å
689	A	85	Confident	82.8	Confident	58 Å²	58	56.5 Å²	56.5	48%	0.479	32%	0.324	S	S	.	.	H	α-helix	trans	-59.6	-38.1	176	0	0	0	0	0	111.7	V685 E686 Y687 A693	V685-A689 PolarHBondContact O-N 3.46Å; E686-A689 WeakPolarHBondContact O-CB 3.07Å; E686-A689 PolarHBondContact O-N 3.29Å; Y687-A689 VanDerWaalsContact C-N 3.33Å; Y687-A689 PolarHBondContact O-N 2.67Å; A689-A693 VanDerWaalsContact O-CB 3.28Å; A689-A693 WeakPolarHBondContact O-CB 3.31Å; A689-A693 PolarHBondContact O-N 3.3Å
690	E	84.3	Confident	83.6	Confident	108 Å²	108	54.3 Å²	54.3	51%	0.505	31%	0.309	S	S	.	.	H	α-helix	trans	-65.7	-45.6	174.3	-173.3	177.7	-176.8	0	0	112.4	E686 Y687 I688 V692 A693 N694	E686-E690 PolarHBondContact O-N 2.96Å; E686-E690 VanDerWaalsContact O-N 3.13Å; Y687-E690 WeakPolarHBondContact O-CB 3.33Å; Y687-E690 PolarHBondContact O-N 3.42Å; I688-E690 VanDerWaalsContact C-N 3.25Å; I688-E690 PolarHBondContact O-N 3.11Å; E690-V692 VanDerWaalsContact C-N 3.31Å; E690-V692 PolarHBondContact O-N 3.35Å; E690-A693 PolarHBondContact O-N 2.92Å; E690-N694 WeakPolarHBondContact O-CB 3.4Å; E690-N694 PolarHBondContact O-N 3.08Å; E690-N694 PolarHBondContact O-ND2 3.49Å
691	I	83.6	Confident	84	Confident	8 Å²	8	54.3 Å²	54.3	4%	0.041	31%	0.309	C	S	.	.	H	α-helix	trans	-57.1	-45.9	175.9	-73	173.7	0	0	0	111	L625 Y687 I688 N694 G695 S696 Y700	L625-I691 HydrophobicContact CD1-CD1 3.21Å; Y687-I691 HydrophobicContact CD1-CD1 3.75Å; Y687-I691 HydrophobicContact CD1-CG1 4.44Å; Y687-I691 HydrophobicContact CE1-CD1 3.52Å; Y687-I691 HydrophobicContact CE1-CG1 4.22Å; Y687-I691 WeakPolarHBondContact O-CG1 3.26Å; Y687-I691 PolarHBondContact O-N 3.22Å; I688-I691 PolarHBondContact O-N 2.81Å; I691-N694 PolarHBondContact O-N 3.25Å; I691-G695 PolarHBondContact O-N 3.26Å; I691-S696 PolarHBondContact O-N 2.95Å; I691-S696 VanDerWaalsContact O-N 3.11Å; I691-Y700 HydrophobicContact CG2-CD1 3.88Å; I691-Y700 HydrophobicContact CG2-CE1 4.34Å; I691-Y700 HydrophobicContact CG2-CG 4.49Å
692	V	84	Confident	83.8	Confident	54 Å²	54	49.9 Å²	49.9	33%	0.327	29%	0.294	S	S	.	.	H	α-helix	trans	-67.3	-42.8	179.9	174.2	0	0	0	0	110.9	I688 E690 N694 G695 Y700	I688-V692 HydrophobicContact CG2-CG2 4.24Å; I688-V692 VanDerWaalsContact O-CG2 3.31Å; I688-V692 WeakPolarHBondContact O-CG2 3.31Å; I688-V692 PolarHBondContact O-N 2.75Å; E690-V692 VanDerWaalsContact C-N 3.31Å; E690-V692 PolarHBondContact O-N 3.35Å; V692-N694 VanDerWaalsContact C-N 3.32Å; V692-N694 PolarHBondContact O-N 3.48Å; V692-G695 PolarHBondContact O-N 2.84Å; V692-G695 VanDerWaalsContact O-N 3.16Å; V692-Y700 HydrophobicContact CG2-CE1 4.3Å; V692-Y700 HydrophobicContact CG2-CE2 3.8Å
693	A	82.6	Confident	83.5	Confident	82 Å²	82	48.3 Å²	48.3	68%	0.678	29%	0.288	S	S	*	.	H	α-helix	trans	-63.8	-36.9	177.5	0	0	0	0	0	112.6	A689 E690 G695	A689-A693 VanDerWaalsContact O-CB 3.28Å; A689-A693 WeakPolarHBondContact O-CB 3.31Å; A689-A693 PolarHBondContact O-N 3.3Å; E690-A693 PolarHBondContact O-N 2.92Å; A693-G695 PolarHBondContact O-N 3.49Å
694	N	81.4	Confident	82.8	Confident	119 Å²	119	53.6 Å²	53.6	64%	0.636	33%	0.325	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.1	-6.7	177.4	-72.6	-26.9	0	0	0	113.5	E690 I691 V692 S696	E690-N694 WeakPolarHBondContact O-CB 3.4Å; E690-N694 PolarHBondContact O-N 3.08Å; E690-N694 PolarHBondContact O-ND2 3.49Å; I691-N694 PolarHBondContact O-N 3.25Å; V692-N694 VanDerWaalsContact C-N 3.32Å; V692-N694 PolarHBondContact O-N 3.48Å; N694-S696 VanDerWaalsContact C-N 3.28Å; N694-S696 PolarHBondContact O-N 3.37Å
695	G	78.6	Confident	81.5	Confident	56 Å²	56	55.9 Å²	55.9	58%	0.577	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.4	32.5	-177.8	0	0	0	0	0	113.1	I691 V692 A693	I691-G695 PolarHBondContact O-N 3.26Å; V692-G695 PolarHBondContact O-N 2.84Å; V692-G695 VanDerWaalsContact O-N 3.16Å; A693-G695 PolarHBondContact O-N 3.49Å
696	S	80	Confident	80.3	Confident	34 Å²	34	55.7 Å²	55.7	24%	0.238	35%	0.351	C	S	.	.			trans	-67	143.2	-179.7	-177.7	0	0	0	0	111.6	I691 N694 Q698	I691-S696 PolarHBondContact O-N 2.95Å; I691-S696 VanDerWaalsContact O-N 3.11Å; N694-S696 VanDerWaalsContact C-N 3.28Å; N694-S696 PolarHBondContact O-N 3.37Å; S696-Q698 PolarHBondContact O-N 2.88Å; S696-Q698 WeakPolarHBondContact OG-CG 3.25Å; S696-Q698 PolarHBondContact OG-N 3.36Å; S696-Q698 PolarHBondContact OG-OE1 3.23Å
697	D	81.8	Confident	79.8	Confident	96 Å²	96	50.9 Å²	50.9	51%	0.513	33%	0.329	S	S	.	.			trans	-89.5	15.1	175.3	-166.8	29.5	0	0	0	112.6	R596 L597	R596-D697 VanDerWaalsContact CD-O 3.31Å; R596-D697 WeakPolarHBondContact CD-O 3.3Å; R596-D697 VanDerWaalsContact CD-OD1 3.27Å; R596-D697 WeakPolarHBondContact CD-OD1 3.42Å; R596-D697 WeakPolarHBondContact CG-O 3.44Å; R596-D697 VanDerWaalsContact CG-OD1 3.25Å; R596-D697 WeakPolarHBondContact CG-OD1 3.28Å; R596-D697 IonicContact NE-OD1 3.9Å; L597-D697 VanDerWaalsContact CD1-OD1 3.25Å; L597-D697 WeakPolarHBondContact CD1-OD1 3.2Å; L597-D697 HydrophobicContact CD2-CB 4.35Å; L597-D697 WeakPolarHBondContact CG-OD1 3.36Å
698	Q	86.6	Confident	79.1	Confident	93 Å²	93	52.1 Å²	52.1	44%	0.435	34%	0.341	S	S	.	.			trans	-71.3	152.9	175.3	-73.9	177.9	-30.6	0	0	111.6	S696 Y700	S696-Q698 PolarHBondContact O-N 2.88Å; S696-Q698 WeakPolarHBondContact OG-CG 3.25Å; S696-Q698 PolarHBondContact OG-N 3.36Å; S696-Q698 PolarHBondContact OG-OE1 3.23Å; Q698-Y700 VanDerWaalsContact O-CD1 3.31Å; Q698-Y700 WeakPolarHBondContact O-CD1 3.07Å
699	I	89.3	Confident	78.4	Confident	1 Å²	1	52.1 Å²	52.1	1%	0.005	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	134	170.4	-60.9	171.2	0	0	0	109	L594 T595 L601 Y618 Q621	L594-I699 HydrophobicContact CB-CG2 4.02Å; L594-I699 HydrophobicContact CD1-CG2 4.21Å; L594-I699 HydrophobicContact CD2-CG2 4.27Å; L594-I699 HydrophobicContact CG-CG2 4.41Å; T595-I699 WeakPolarHBondContact O-CA 3.12Å; L601-I699 HydrophobicContact CD1-CD1 4Å; L601-I699 HydrophobicContact CD1-CG1 4.07Å; L601-I699 HydrophobicContact CD1-CG2 3.89Å; Y618-I699 HydrophobicContact CD1-CD1 4.09Å; Y618-I699 HydrophobicContact CD2-CD1 3.34Å; Y618-I699 HydrophobicContact CE1-CD1 4.11Å; Y618-I699 HydrophobicContact CE2-CD1 3.34Å; Y618-I699 HydrophobicContact CG-CD1 3.73Å; Q621-I699 HydrophobicContact CB-CB 4.41Å
700	Y	88.6	Confident	77.2	Confident	8 Å²	8	53.9 Å²	53.9	3%	0.031	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	165.2	176.5	56.9	-88	0	0	0	111.7	T595 N598 I688 I691 V692 Q698	T595-Y700 HydrophobicContact CG2-CE2 3.9Å; T595-Y700 PolarHBondContact N-O 2.78Å; T595-Y700 PolarHBondContact O-N 2.89Å; N598-Y700 WeakPolarHBondContact CA-OH 3.49Å; N598-Y700 PolarHBondContact N-OH 2.79Å; N598-Y700 PolarHBondContact OD1-OH 2.92Å; I688-Y700 HydrophobicContact CG2-CD2 3.54Å; I688-Y700 HydrophobicContact CG2-CE2 4.1Å; I688-Y700 HydrophobicContact CG2-CG 4.2Å; I691-Y700 HydrophobicContact CG2-CD1 3.88Å; I691-Y700 HydrophobicContact CG2-CE1 4.34Å; I691-Y700 HydrophobicContact CG2-CG 4.49Å; V692-Y700 HydrophobicContact CG2-CE1 4.3Å; V692-Y700 HydrophobicContact CG2-CE2 3.8Å; Q698-Y700 VanDerWaalsContact O-CD1 3.31Å; Q698-Y700 WeakPolarHBondContact O-CD1 3.07Å
701	F	86.3	Confident	76	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	133.6	175.5	-66.3	-72.9	0	0	0	111.4	V590 L594 I622 L625 L626 A657 V684 I688 T703 L707	V590-F701 HydrophobicContact CG1-CD2 4.27Å; V590-F701 HydrophobicContact CG1-CE1 4.33Å; V590-F701 HydrophobicContact CG1-CE2 3.92Å; V590-F701 HydrophobicContact CG1-CZ 3.93Å; L594-F701 HydrophobicContact CD2-CD1 3.65Å; L594-F701 HydrophobicContact CD2-CE1 3.77Å; L594-F701 HydrophobicContact CD2-CG 4.39Å; I622-F701 HydrophobicContact CG2-CE1 4.41Å; I622-F701 HydrophobicContact CG2-CE2 3.85Å; I622-F701 HydrophobicContact CG2-CZ 3.47Å; I622-F701 VanDerWaalsContact CG2-CZ 3.47Å; L625-F701 HydrophobicContact CD2-CD2 3.48Å; L625-F701 VanDerWaalsContact CD2-CD2 3.48Å; L625-F701 HydrophobicContact CD2-CE2 3.84Å; L625-F701 HydrophobicContact CD2-CG 4.5Å; L626-F701 HydrophobicContact CD1-CE2 4.06Å; L626-F701 HydrophobicContact CD1-CZ 4.33Å; L626-F701 HydrophobicContact CD2-CD2 4.32Å; L626-F701 HydrophobicContact CD2-CE2 3.7Å; L626-F701 HydrophobicContact CG-CE2 3.87Å; A657-F701 HydrophobicContact CB-CZ 4.47Å; V684-F701 HydrophobicContact CG1-CD2 4.49Å; I688-F701 HydrophobicContact CD1-CB 4.01Å; I688-F701 WeakPolarHBondContact CD1-O 3.03Å; F701-T703 PolarHBondContact O-N 3.44Å; F701-L707 HydrophobicContact CB-CD1 4.04Å; F701-L707 HydrophobicContact CG-CD1 4.26Å
702	G	77.9	Confident	74.4	Confident	4 Å²	4	52.8 Å²	52.8	4%	0.041	34%	0.34	C	S	.	.			trans	-67.2	114	171.9	0	0	0	0	0	110	S592 T593 S704 S705	S592-G702 PolarHBondContact OG-O 3.36Å; T593-G702 PolarHBondContact O-N 2.82Å; G702-S704 VanDerWaalsContact C-N 3.35Å; G702-S705 PolarHBondContact O-N 2.03Å
703	T	74.8	Confident	72.7	Confident	71 Å²	71	51.1 Å²	51.1	44%	0.436	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.4	-30.9	-179.9	51.6	0	0	0	0	112.4	V685 I688 F701 S705	V685-T703 HydrophobicContact CG2-CG2 4.15Å; I688-T703 HydrophobicContact CB-CG2 4.36Å; I688-T703 HydrophobicContact CD1-CG2 4.08Å; I688-T703 HydrophobicContact CG2-CG2 3.99Å; F701-T703 PolarHBondContact O-N 3.44Å; T703-S705 VanDerWaalsContact C-N 3.33Å
704	S	66.6	Low	70.5	Confident	115 Å²	115	51.6 Å²	51.6	80%	0.804	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.7	-2.3	174.4	51.4	0	0	0	0	114	G702	G702-S704 VanDerWaalsContact C-N 3.35Å
705	S	58.2	Low	68.3	Low	47 Å²	47	47.9 Å²	47.9	33%	0.329	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	32	-171	-53	0	0	0	0	113.2	G702 T703	G702-S705 PolarHBondContact O-N 2.03Å; T703-S705 VanDerWaalsContact C-N 3.33Å
706	G	60.9	Low	66	Low	55 Å²	55	48.9 Å²	48.9	57%	0.567	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.8	52.6	179.3	0	0	0	0	0	112.9	T708	G706-T708 PolarHBondContact O-N 2.95Å
707	L	72.6	Confident	63.6	Low	18 Å²	18	50.9 Å²	50.9	9%	0.094	32%	0.319	C	S	.	.			trans	-61.2	106.9	171.6	177.1	63.7	0	0	0	110	V590 V684 V685 F701 I709	V590-L707 HydrophobicContact CG1-CD1 3.85Å; V684-L707 HydrophobicContact CG1-CD2 4.28Å; V685-L707 HydrophobicContact CG2-CD2 3.92Å; F701-L707 HydrophobicContact CB-CD1 4.04Å; F701-L707 HydrophobicContact CG-CD1 4.26Å; L707-I709 HydrophobicContact CD1-CD1 4.29Å; L707-I709 HydrophobicContact CD1-CG1 4.25Å; L707-I709 HydrophobicContact CD2-CD1 4.08Å; L707-I709 HydrophobicContact CG-CD1 4.08Å; L707-I709 HydrophobicContact CG-CG1 4.24Å
708	T	71.1	Confident	61.1	Low	65 Å²	65	52.9 Å²	52.9	40%	0.399	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	128.5	176.7	53.4	0	0	0	0	108.9	V590 S591 G706	V590-T708 WeakPolarHBondContact CA-O 3.45Å; S591-T708 WeakPolarHBondContact CB-OG1 3.37Å; S591-T708 PolarHBondContact N-O 2.88Å; S591-T708 PolarHBondContact O-N 3.4Å; S591-T708 PolarHBondContact O-OG1 3.49Å; G706-T708 PolarHBondContact O-N 2.95Å
709	I	71.8	Confident	58.3	Low	3 Å²	3	56.1 Å²	56.1	2%	0.015	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.2	118.9	177.4	-66.7	173	0	0	0	105.2	I588 T589 V590 E677 V680 R681 L707	I588-I709 HydrophobicContact CG2-CG2 3.7Å; T589-I709 VanDerWaalsContact O-CA 3.31Å; T589-I709 WeakPolarHBondContact O-CA 3.49Å; V590-I709 HydrophobicContact CB-CG1 4.47Å; V590-I709 HydrophobicContact CG1-CD1 4.5Å; V590-I709 HydrophobicContact CG1-CG1 4.01Å; V590-I709 HydrophobicContact CG2-CG1 4.19Å; E677-I709 HydrophobicContact CB-CG2 4.42Å; V680-I709 HydrophobicContact CB-CG2 4.21Å; V680-I709 HydrophobicContact CG1-CD1 4.43Å; V680-I709 HydrophobicContact CG1-CG2 4.25Å; R681-I709 HydrophobicContact CB-CD1 3.67Å; R681-I709 HydrophobicContact CG-CD1 4.12Å; L707-I709 HydrophobicContact CD1-CD1 4.29Å; L707-I709 HydrophobicContact CD1-CG1 4.25Å; L707-I709 HydrophobicContact CD2-CD1 4.08Å; L707-I709 HydrophobicContact CG-CD1 4.08Å; L707-I709 HydrophobicContact CG-CG1 4.24Å
710	E	60.1	Low	55.1	Low	95 Å²	95	64.2 Å²	64.2	44%	0.444	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	135.7	-175.7	-65.7	175.5	-178.3	0	0	109	I588 T589 E677	I588-E710 CarbonylContact C-O 3.59Å; I588-E710 VanDerWaalsContact CA-O 3.31Å; I588-E710 WeakPolarHBondContact CA-O 3.32Å; T589-E710 PolarHBondContact N-O 2.81Å; T589-E710 PolarHBondContact O-N 2.92Å; T589-E710 VanDerWaalsContact O-N 3.11Å; T589-E710 PolarHBondContact OG1-O 3.4Å; E677-E710 WeakPolarHBondContact OE1-CA 3.49Å
711	T	58.7	Low	52	Low	56 Å²	56	71 Å²	71	34%	0.344	43%	0.425	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	120.1	168.9	45.1	0	0	0	0	107.5	I588 E677	I588-T711 HydrophobicContact CD1-CG2 3.96Å; I588-T711 HydrophobicContact CG1-CG2 3.75Å; E677-T711 HydrophobicContact CB-CG2 4.48Å; E677-T711 VanDerWaalsContact CD-N 3.35Å; E677-T711 HydrophobicContact CG-CG2 3.42Å; E677-T711 VanDerWaalsContact CG-CG2 3.42Å; E677-T711 VanDerWaalsContact CG-N 3.3Å; E677-T711 VanDerWaalsContact CG-OG1 3.32Å; E677-T711 WeakPolarHBondContact CG-OG1 3.36Å; E677-T711 PolarHBondContact OE1-N 3.29Å; E677-T711 PolarHBondContact OE1-OG1 3.35Å
712	V	49.6	Very low	49.1	Very low	37 Å²	37	76.6 Å²	76.6	22%	0.224	46%	0.46	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	-27.6	-179	-172.4	0	0	0	0	110.5	I587 T589	I587-V712 PolarHBondContact O-N 2.88Å; T589-V712 HydrophobicContact CG2-CG2 3.75Å
713	I	50.2	Low	46.5	Very low	19 Å²	19	85.3 Å²	85.3	10%	0.097	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.9	143.3	-173.5	-36.3	173	0	0	0	112.6	I587 A715 S798	I587-I713 HydrophobicContact CB-CD1 4.38Å; I587-I713 HydrophobicContact CB-CG1 4.46Å; I587-I713 HydrophobicContact CD1-CD1 3.69Å; I587-I713 HydrophobicContact CG1-CD1 4.08Å; I713-A715 HydrophobicContact CG2-CB 3.55Å; I713-S798 VanDerWaalsContact CD1-N 3.34Å; I713-S798 WeakPolarHBondContact CD1-O 3.5Å; I713-S798 VanDerWaalsContact CG1-O 3.23Å; I713-S798 WeakPolarHBondContact CG1-O 3.25Å
714	D	36	Very low	44.1	Very low	92 Å²	92	86.4 Å²	86.4	49%	0.492	51%	0.51	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	80.1	156.6	-148.4	27.8	0	0	0	108.3	K584	K584-D714 WeakPolarHBondContact CE-OD1 3.27Å; K584-D714 VanDerWaalsContact CE-OD2 3.3Å; K584-D714 WeakPolarHBondContact CE-OD2 3.29Å; K584-D714 VanDerWaalsContact NZ-CG 3.29Å; K584-D714 IonicContact NZ-OD1 3.17Å; K584-D714 PolarHBondContact NZ-OD1 3.41Å; K584-D714 VanDerWaalsContact NZ-OD1 3.17Å; K584-D714 IonicContact NZ-OD2 2.74Å; K584-D714 PolarHBondContact NZ-OD2 2.96Å
715	A	34.4	Very low	42	Very low	40 Å²	40	90 Å²	90	33%	0.331	51%	0.514	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	116.1	-173.3	0	0	0	0	0	111.2	I713	I713-A715 HydrophobicContact CG2-CB 3.55Å
716	A	30.4	Very low	40.5	Very low	77 Å²	77	95 Å²	95	64%	0.636	54%	0.537	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.8	123.5	158.1	0	0	0	0	0	107.9
717	T	29.7	Very low	38.8	Very low	76 Å²	76	98.4 Å²	98.4	47%	0.466	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-78.6	121.2	177.1	28.2	0	0	0	0	109.6	T583	T583-T717 PolarHBondContact O-OG1 3.41Å; T583-T717 PolarHBondContact OG1-OG1 3.49Å
718	T	28.3	Very low	36.6	Very low	138 Å²	138	106 Å²	106	85%	0.847	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-84	144.8	176	-51.2	0	0	0	0	111
719	E	28.4	Very low	34.4	Very low	161 Å²	161	106.3 Å²	106.3	75%	0.752	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-49.7	138.3	-168.4	-61.4	178.1	147.1	0	0	116.8
720	M	22.8	Very low	32.2	Very low	171 Å²	171	117.4 Å²	117.4	84%	0.842	64%	0.635	S	S	*	*			trans	-86.9	103.7	147	-76.6	-155.6	-50.2	0	0	107.8	T722	M720-T722 PolarHBondContact O-N 3.46Å; M720-T722 PolarHBondContact O-OG1 2.95Å
721	I	24.2	Very low	30.5	Very low	151 Å²	151	122.5 Å²	122.5	77%	0.774	66%	0.655	S	S	*	*			trans	-62.2	105.3	167.9	-57.5	159.2	0	0	0	106.3
722	T	24	Very low	28.8	Very low	118 Å²	118	125.5 Å²	125.5	72%	0.724	67%	0.674	S	S	*	*			trans	-95.6	106.1	172.7	-30	0	0	0	0	105.8	M720 S724	M720-T722 PolarHBondContact O-N 3.46Å; M720-T722 PolarHBondContact O-OG1 2.95Å; T722-S724 PolarHBondContact O-N 3.13Å
723	E	24.6	Very low	27.4	Very low	186 Å²	186	130.3 Å²	130.3	87%	0.869	70%	0.703	S	S	*	*			trans	-55.7	98.4	-177.9	-165.6	174.5	-166.2	0	0	110.4
724	S	24.5	Very low	26.1	Very low	94 Å²	94	137.1 Å²	137.1	66%	0.657	74%	0.735	S	S	*	*			trans	-82.2	118.7	173.6	53	0	0	0	0	109	T722 D726	T722-S724 PolarHBondContact O-N 3.13Å; S724-D726 PolarHBondContact O-N 3.31Å
725	Q	22.6	Very low	25.4	Very low	190 Å²	190	139.6 Å²	139.6	89%	0.888	75%	0.753	S	S	*	*			trans	-58	92.2	170.5	-63.8	-179.2	-37.7	0	0	110.1
726	D	25.3	Very low	24.9	Very low	153 Å²	153	143.8 Å²	143.8	82%	0.818	78%	0.775	S	S	*	*			trans	-107.8	120.6	166.8	-90.9	-34.6	0	0	0	111	S724	S724-D726 PolarHBondContact O-N 3.31Å
727	T	26.5	Very low	24.6	Very low	127 Å²	127	148.6 Å²	148.6	78%	0.779	78%	0.784	S	S	*	*			trans	-91	123.3	-176.4	-36.9	0	0	0	0	107.2
728	E	25.2	Very low	24.4	Very low	177 Å²	177	153.1 Å²	153.1	83%	0.827	81%	0.805	S	S	*	*	S	Bend	trans	50.8	119.4	154.4	-78.1	-99.9	147.5	0	0	119.9
729	A	25.7	Very low	24.1	Very low	71 Å²	71	151.8 Å²	151.8	59%	0.587	80%	0.801	S	S	*	*			trans	71.4	97.9	140.1	0	0	0	0	0	117.6
730	Y	25.8	Very low	23.9	Very low	236 Å²	236	153.8 Å²	153.8	93%	0.925	81%	0.807	S	S	*	*				-151.4	130.6	114.8	-91.1	-74.4	0	0	0	110.3	T732	Y730-T732 PolarHBondContact O-N 3.2Å
731	K	23.1	Very low	23.9	Very low	203 Å²	203	151.3 Å²	151.3	88%	0.883	80%	0.802	S	S	*	*			trans	-84.1	96.7	-174.8	-167.5	178.5	-167.1	175.3	0	108.7
732	T	23	Very low	23.8	Very low	119 Å²	119	150.2 Å²	150.2	73%	0.73	80%	0.803	S	S	*	*			trans	-127.7	117.3	168.5	-40.7	0	0	0	0	109.5	Y730 E734	Y730-T732 PolarHBondContact O-N 3.2Å; T732-E734 PolarHBondContact O-N 3.11Å; T732-E734 VanDerWaalsContact O-N 3.1Å
733	T	21.5	Very low	24	Very low	137 Å²	137	153.5 Å²	153.5	84%	0.84	81%	0.807	S	S	*	*			trans	-76	86	179.2	-46.1	0	0	0	0	108.7
734	E	23.1	Very low	24.7	Very low	163 Å²	163	148 Å²	148	76%	0.762	79%	0.789	S	S	*	*			trans	-111.8	119.4	160.7	-80.1	-170.5	162.9	0	0	108.5	T732 T736	T732-E734 PolarHBondContact O-N 3.11Å; T732-E734 VanDerWaalsContact O-N 3.1Å; E734-T736 PolarHBondContact O-N 2.88Å; E734-T736 PolarHBondContact O-OG1 3.01Å
735	T	21.6	Very low	25.4	Very low	143 Å²	143	147.6 Å²	147.6	88%	0.877	78%	0.783	S	S	*	*			trans	-50	94.4	170.2	26.5	0	0	0	0	109.9	E737	T735-E737 PolarHBondContact O-N 3.39Å
736	T	23.9	Very low	26.9	Very low	129 Å²	129	145.3 Å²	145.3	79%	0.791	77%	0.77	S	S	*	*			trans	-72	105	167.9	-30.3	0	0	0	0	106.5	E734 L738	E734-T736 PolarHBondContact O-N 2.88Å; E734-T736 PolarHBondContact O-OG1 3.01Å; T736-L738 PolarHBondContact O-N 3.34Å; T736-L738 VanDerWaalsContact O-N 3.12Å
737	E	23.2	Very low	28.7	Very low	178 Å²	178	139.3 Å²	139.3	83%	0.832	74%	0.74	S	S	*	*			trans	-53.4	117.9	166.2	-85.6	178.9	143	0	0	107.9	T735 S739	T735-E737 PolarHBondContact O-N 3.39Å; E737-S739 PolarHBondContact O-N 2.71Å
738	L	24.4	Very low	30.6	Very low	170 Å²	170	139 Å²	139	89%	0.89	73%	0.732	S	S	*	*			trans	-52.2	105.6	173.6	-105.5	80.4	0	0	0	108.3	T736 K740	T736-L738 PolarHBondContact O-N 3.34Å; T736-L738 VanDerWaalsContact O-N 3.12Å; L738-K740 PolarHBondContact O-N 3.41Å; L738-K740 VanDerWaalsContact O-N 3.1Å
739	S	24	Very low	32.7	Very low	110 Å²	110	132.1 Å²	132.1	77%	0.769	70%	0.701	S	S	*	*			trans	-68.8	107.7	168.2	-55.7	0	0	0	0	106.3	E737 T741	E737-S739 PolarHBondContact O-N 2.71Å; S739-T741 PolarHBondContact O-N 3.44Å
740	K	22.4	Very low	34.7	Very low	203 Å²	203	134.2 Å²	134.2	88%	0.883	70%	0.699	S	S	*	*			trans	-50.1	105.1	174.6	-80.7	177	173.1	178.2	0	109.3	L738 T742	L738-K740 PolarHBondContact O-N 3.41Å; L738-K740 VanDerWaalsContact O-N 3.1Å; K740-T742 PolarHBondContact O-N 3.03Å; K740-T742 VanDerWaalsContact O-N 3.11Å
741	T	23.1	Very low	37	Very low	120 Å²	120	123.3 Å²	123.3	74%	0.736	66%	0.656	S	S	*	*			trans	-67.9	102.8	166.3	33.6	0	0	0	0	108.3	S739 F743	S739-T741 PolarHBondContact O-N 3.44Å; T741-F743 PolarHBondContact O-N 3.41Å; T741-F743 VanDerWaalsContact O-N 3.15Å
742	T	23.7	Very low	39.2	Very low	128 Å²	128	117.4 Å²	117.4	79%	0.785	64%	0.64	S	S	*	*			trans	-69.4	106.3	174.2	-13.7	0	0	0	0	108.6	K740 S744	K740-T742 PolarHBondContact O-N 3.03Å; K740-T742 VanDerWaalsContact O-N 3.11Å; T742-S744 PolarHBondContact O-N 3.23Å
743	F	27.1	Very low	41.5	Very low	187 Å²	187	112.1 Å²	112.1	82%	0.82	61%	0.608	S	S	*	*			trans	-61	118.7	170	-76.7	-95	0	0	0	109.2	T741 T745	T741-F743 PolarHBondContact O-N 3.41Å; T741-F743 VanDerWaalsContact O-N 3.15Å; F743-T745 PolarHBondContact O-N 3Å
744	S	38.8	Very low	44	Very low	70 Å²	70	106.7 Å²	106.7	49%	0.49	57%	0.574	S	S	.	*			trans	-80.8	111.9	171.5	64.2	0	0	0	0	109.2	T742	T742-S744 PolarHBondContact O-N 3.23Å
745	T	40.2	Very low	46.5	Very low	85 Å²	85	99 Å²	99	52%	0.521	54%	0.538	S	S	.	.			trans	-74.9	136.4	172.6	52.5	0	0	0	0	109.9	F743 N828	F743-T745 PolarHBondContact O-N 3Å; T745-N828 WeakPolarHBondContact O-CB 3.42Å; T745-N828 PolarHBondContact O-N 3.35Å; T745-N828 VanDerWaalsContact O-N 3.09Å; T745-N828 PolarHBondContact OG1-ND2 2.93Å
746	K	54.7	Low	48.9	Very low	143 Å²	143	93.7 Å²	93.7	62%	0.622	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81	139.4	167.1	-75	-176.2	169.9	-166.8	0	108.9	E825 Y826	K746-E825 IonicContact NZ-OE2 3.41Å; K746-E825 PolarHBondContact NZ-OE2 2.99Å; K746-Y826 WeakPolarHBondContact CA-O 3.23Å
747	S	62.1	Low	51.2	Low	26 Å²	26	87.7 Å²	87.7	18%	0.182	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	152.3	168.6	-95.6	0	0	0	0	111.4	E825 Y826 N828	S747-E825 CarbonylContact O-C 3.58Å; S747-E825 VanDerWaalsContact O-CA 3.27Å; S747-E825 WeakPolarHBondContact O-CA 3.37Å; S747-Y826 VanDerWaalsContact CB-CE1 3.49Å; S747-Y826 VanDerWaalsContact CB-CZ 3.43Å; S747-Y826 PolarHBondContact N-O 3.36Å; S747-Y826 PolarHBondContact O-N 3.39Å; S747-N828 WeakPolarHBondContact CB-OD1 3.42Å; S747-N828 PolarHBondContact OG-ND2 3.33Å; S747-N828 PolarHBondContact OG-OD1 3.24Å
748	I	66.3	Low	53.3	Low	122 Å²	122	81.1 Å²	81.1	63%	0.626	44%	0.437	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.6	134.9	179.1	-60.6	174.5	0	0	0	108.3	I823 V824 E825	I748-I823 HydrophobicContact CG2-CG2 3.37Å; I748-V824 CarbonylContact C-O 3.57Å; I748-V824 WeakPolarHBondContact CA-O 3.49Å; I748-E825 HydrophobicContact CG1-CG 4.05Å
749	L	69	Low	55	Low	32 Å²	32	75 Å²	75	17%	0.168	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	126.1	179.6	176	63.8	0	0	0	110.5	L751 V824 Y826 Q834 I837	L749-L751 HydrophobicContact CD1-CD2 4.31Å; L749-L751 HydrophobicContact CD2-CD1 4.18Å; L749-L751 HydrophobicContact CD2-CD2 3.97Å; L749-L751 HydrophobicContact CD2-CG 4.16Å; L749-L751 HydrophobicContact CG-CD1 4.46Å; L749-L751 HydrophobicContact CG-CD2 3.93Å; L749-L751 HydrophobicContact CG-CG 3.97Å; L749-V824 PolarHBondContact N-O 3.16Å; L749-V824 PolarHBondContact O-N 3.33Å; L749-Y826 HydrophobicContact CB-CD1 4.42Å; L749-Y826 HydrophobicContact CB-CE1 3.87Å; L749-Y826 HydrophobicContact CD2-CE1 4.45Å; L749-Q834 HydrophobicContact CD1-CG 4.32Å; L749-Q834 HydrophobicContact CD2-CG 3.98Å; L749-I837 HydrophobicContact CD2-CD1 3.66Å
750	E	69.1	Low	56.6	Low	115 Å²	115	70.3 Å²	70.3	54%	0.537	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	127	174.9	-168	174.9	-178.6	0	0	110.5	Q821 I822 I823	E750-Q821 HydrophobicContact CG-CG 4.39Å; E750-Q821 VanDerWaalsContact OE1-CD 3.28Å; E750-Q821 PolarHBondContact OE1-NE2 3.36Å; E750-I822 WeakPolarHBondContact CA-O 3.39Å; E750-I823 HydrophobicContact CG-CG1 4.31Å
751	L	73.5	Confident	58.1	Low	6 Å²	6	64 Å²	64	3%	0.031	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	145.2	-177.4	-62.5	173.4	0	0	0	111.1	L749 Q821 I822 V824 Q834 I837 L838	L749-L751 HydrophobicContact CD1-CD2 4.31Å; L749-L751 HydrophobicContact CD2-CD1 4.18Å; L749-L751 HydrophobicContact CD2-CD2 3.97Å; L749-L751 HydrophobicContact CD2-CG 4.16Å; L749-L751 HydrophobicContact CG-CD1 4.46Å; L749-L751 HydrophobicContact CG-CD2 3.93Å; L749-L751 HydrophobicContact CG-CG 3.97Å; L751-Q821 CarbonylContact O-C 3.19Å; L751-Q821 WeakPolarHBondContact O-CA 3.39Å; L751-I822 HydrophobicContact CB-CD1 4.18Å; L751-I822 HydrophobicContact CB-CG1 3.75Å; L751-I822 HydrophobicContact CD1-CD1 4.35Å; L751-I822 PolarHBondContact N-O 3.3Å; L751-I822 PolarHBondContact O-N 2.95Å; L751-V824 HydrophobicContact CD1-CG2 4.01Å; L751-Q834 HydrophobicContact CD2-CB 3.73Å; L751-Q834 HydrophobicContact CD2-CG 3.66Å; L751-I837 HydrophobicContact CD1-CB 4.2Å; L751-I837 HydrophobicContact CD1-CG2 3.8Å; L751-L838 HydrophobicContact CB-CD2 4.33Å; L751-L838 HydrophobicContact CD1-CD2 4Å; L751-L838 HydrophobicContact CD1-CG 4.07Å
752	S	69.5	Low	59.6	Low	79 Å²	79	65.7 Å²	65.7	55%	0.552	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	132.8	170.1	-69.6	0	0	0	0	109.9	V820	S752-V820 WeakPolarHBondContact CA-O 3.27Å
753	M	71.7	Confident	61.4	Low	9 Å²	9	64.3 Å²	64.3	4%	0.044	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	147.8	178.8	59.5	176.6	168	0	0	111.6	V755 I789 V820 I822 L838 I841 L868	M753-V755 HydrophobicContact CE-CG1 4.36Å; M753-V755 HydrophobicContact CG-CG1 4.15Å; M753-V755 HydrophobicContact SD-CG1 4.03Å; M753-I789 HydrophobicContact CE-CD1 3.31Å; M753-I789 HydrophobicContact CE-CG1 3.79Å; M753-I789 HydrophobicContact CE-CG2 4.04Å; M753-V820 HydrophobicContact CE-CB 4.24Å; M753-V820 HydrophobicContact CE-CG1 4.28Å; M753-V820 HydrophobicContact CG-CB 4.25Å; M753-V820 PolarHBondContact N-O 2.93Å; M753-V820 PolarHBondContact O-N 3.34Å; M753-I822 HydrophobicContact CE-CD1 3.99Å; M753-I822 HydrophobicContact CE-CG2 3.88Å; M753-L838 HydrophobicContact CB-CD2 4.05Å; M753-L838 HydrophobicContact CG-CD2 4.35Å; M753-L838 HydrophobicContact SD-CD2 3.89Å; M753-I841 HydrophobicContact CE-CG2 4.36Å; M753-L868 HydrophobicContact CB-CD2 3.88Å; M753-L868 HydrophobicContact CB-CG 4.42Å; M753-L868 HydrophobicContact CG-CD2 4.42Å; M753-L868 HydrophobicContact SD-CD1 4.02Å; M753-L868 HydrophobicContact SD-CD2 3.7Å; M753-L868 HydrophobicContact SD-CG 3.9Å
754	T	73.3	Confident	63.2	Low	23 Å²	23	56.7 Å²	56.7	14%	0.141	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124.3	168.1	-54.2	0	0	0	0	109.2	K817 S818 D819 I869	T754-K817 HydrophobicContact CG2-CB 4.29Å; T754-S818 CarbonylContact C-O 3.59Å; T754-S818 WeakPolarHBondContact CA-O 3.25Å; T754-D819 PolarHBondContact OG1-OD1 3.14Å; T754-I869 PolarHBondContact O-N 2.67Å
755	V	75.7	Confident	64.7	Low	0 Å²	0	60.5 Å²	60.5	0%	0	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	136.7	177.5	-57.3	0	0	0	0	110.4	M753 I785 K817 S818 V820 F866	M753-V755 HydrophobicContact CE-CG1 4.36Å; M753-V755 HydrophobicContact CG-CG1 4.15Å; M753-V755 HydrophobicContact SD-CG1 4.03Å; V755-I785 HydrophobicContact CG2-CD1 4.43Å; V755-I785 HydrophobicContact CG2-CG2 3.98Å; V755-K817 CarbonylContact O-C 3.23Å; V755-K817 VanDerWaalsContact O-CA 3.25Å; V755-K817 WeakPolarHBondContact O-CA 3.47Å; V755-S818 PolarHBondContact N-O 3.45Å; V755-S818 PolarHBondContact O-N 3.04Å; V755-V820 HydrophobicContact CG1-CG2 4.13Å; V755-V820 HydrophobicContact CG2-CG2 3.64Å; V755-F866 HydrophobicContact CB-CB 3.91Å; V755-F866 HydrophobicContact CB-CD2 4.14Å; V755-F866 HydrophobicContact CB-CG 4.01Å; V755-F866 HydrophobicContact CG1-CD2 3.86Å; V755-F866 HydrophobicContact CG1-CE2 4.24Å; V755-F866 HydrophobicContact CG1-CG 4.11Å
756	E	72.2	Confident	66.2	Low	32 Å²	32	59.5 Å²	59.5	15%	0.15	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	123.1	172.4	177.3	172.4	-157.7	0	0	109.8	L758 S815 K817 F866 K867 I869	E756-L758 HydrophobicContact CG-CD2 4.49Å; E756-S815 VanDerWaalsContact CG-CB 3.48Å; E756-S815 WeakPolarHBondContact OE1-CB 3.29Å; E756-S815 PolarHBondContact OE1-OG 3.07Å; E756-K817 HydrophobicContact CB-CG 4.35Å; E756-K817 HydrophobicContact CG-CG 4.45Å; E756-F866 WeakPolarHBondContact O-CA 3.46Å; E756-F866 WeakPolarHBondContact O-CB 3.27Å; E756-K867 HydrophobicContact CB-CB 4.38Å; E756-K867 PolarHBondContact N-O 3.37Å; E756-K867 PolarHBondContact O-N 3.21Å; E756-K867 VanDerWaalsContact O-N 3.15Å; E756-I869 HydrophobicContact CB-CD1 4.11Å
757	I	72.2	Confident	67.3	Low	4 Å²	4	55.8 Å²	55.8	2%	0.021	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	124.5	-174.6	-56.8	176.6	0	0	0	111.9	T764 T781 I785 F811 S815 V816 L864	I757-T764 PolarHBondContact O-N 3.03Å; I757-T764 PolarHBondContact O-OG1 2.82Å; I757-T781 HydrophobicContact CD1-CG2 3.66Å; I757-I785 HydrophobicContact CD1-CD1 3.31Å; I757-I785 HydrophobicContact CD1-CG1 3.84Å; I757-I785 HydrophobicContact CG1-CD1 3.97Å; I757-I785 HydrophobicContact CG1-CG1 4.23Å; I757-F811 HydrophobicContact CD1-CD1 4.46Å; I757-F811 HydrophobicContact CD1-CE1 3.88Å; I757-S815 PolarHBondContact N-O 3.2Å; I757-S815 VanDerWaalsContact O-O 3.06Å; I757-V816 HydrophobicContact CB-CB 4.22Å; I757-V816 HydrophobicContact CB-CG1 4.44Å; I757-V816 WeakPolarHBondContact CB-O 3.3Å; I757-V816 HydrophobicContact CD1-CB 4.23Å; I757-V816 HydrophobicContact CD1-CG1 3.53Å; I757-V816 HydrophobicContact CG1-CG1 4.29Å; I757-V816 VanDerWaalsContact CG1-O 3.31Å; I757-V816 WeakPolarHBondContact CG1-O 3.44Å; I757-V816 PolarHBondContact N-O 2.96Å; I757-V816 VanDerWaalsContact N-O 3.07Å; I757-L864 HydrophobicContact CG2-CD2 3.26Å; I757-L864 HydrophobicContact CG2-CG 4.43Å
758	L	66	Low	68	Low	40 Å²	40	58.6 Å²	58.6	21%	0.209	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	125.9	177.8	-56.6	172.4	0	0	0	109.9	E756 L864 S865	E756-L758 HydrophobicContact CG-CD2 4.49Å; L758-L864 VanDerWaalsContact O-CA 3.28Å; L758-L864 WeakPolarHBondContact O-CA 3.17Å; L758-S865 PolarHBondContact N-O 3.19Å; L758-S865 PolarHBondContact O-N 3.32Å
759	T	60.1	Low	68.4	Low	40 Å²	40	57.6 Å²	57.6	25%	0.245	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	105.5	167.5	40.4	0	0	0	0	109.6	N761 Q762 T764 I863 L864	T759-N761 PolarHBondContact O-N 3.43Å; T759-Q762 PolarHBondContact N-O 2.69Å; T759-Q762 PolarHBondContact O-N 3.48Å; T759-Q762 VanDerWaalsContact O-N 3.1Å; T759-Q762 PolarHBondContact OG1-O 3.42Å; T759-T764 HydrophobicContact CG2-CG2 4.21Å; T759-T764 PolarHBondContact N-OG1 3.08Å; T759-I863 CarbonylContact C-O 3.57Å; T759-I863 WeakPolarHBondContact CA-O 3.17Å; T759-L864 HydrophobicContact CG2-CD2 3.88Å
760	G	58.2	Low	68.8	Low	12 Å²	12	56.4 Å²	56.4	12%	0.124	30%	0.299	C	S	.	.	T	Hydrogen-bonded Turn	trans	59.7	-124.9	-162.7	0	0	0	0	0	109.5	I863	G760-I863 PolarHBondContact N-O 2.71Å
761	N	53.1	Low	69	Low	71 Å²	71	55.1 Å²	55.1	38%	0.38	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.8	4.5	174.4	-54.8	-35.1	0	0	0	112.9	D609 T759	D609-N761 WeakPolarHBondContact CA-ND2 3.47Å; D609-N761 HydrophobicContact CB-CB 4.45Å; D609-N761 VanDerWaalsContact CB-ND2 3.29Å; D609-N761 WeakPolarHBondContact CB-ND2 3.48Å; D609-N761 PolarHBondContact OD1-ND2 2.86Å; T759-N761 PolarHBondContact O-N 3.43Å
762	Q	54.6	Low	68.9	Low	156 Å²	156	58.5 Å²	58.5	73%	0.729	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.1	134.9	177.7	-70	-166.2	-15.3	0	0	110.5	T759 T764	T759-Q762 PolarHBondContact N-O 2.69Å; T759-Q762 PolarHBondContact O-N 3.48Å; T759-Q762 VanDerWaalsContact O-N 3.1Å; T759-Q762 PolarHBondContact OG1-O 3.42Å; Q762-T764 PolarHBondContact O-N 2.9Å
763	Q	62	Low	68.8	Low	99 Å²	99	61 Å²	61	46%	0.463	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.7	124.9	170.5	-174.5	178.8	-10	0	0	109.9	N765 S815	Q763-N765 PolarHBondContact O-N 3.25Å; Q763-S815 VanDerWaalsContact CG-CB 3.43Å; Q763-S815 WeakPolarHBondContact CG-OG 3.32Å; Q763-S815 VanDerWaalsContact NE2-N 3.12Å; Q763-S815 PolarHBondContact NE2-OG 3.1Å
764	T	65.3	Low	68.7	Low	27 Å²	27	68.3 Å²	68.3	17%	0.166	35%	0.354	C	S	.	.	P	Polyproline II helix	trans	-66.6	128.9	179.5	-48.8	0	0	0	0	109	I757 T759 Q762 W766 V816	I757-T764 PolarHBondContact O-N 3.03Å; I757-T764 PolarHBondContact O-OG1 2.82Å; T759-T764 HydrophobicContact CG2-CG2 4.21Å; T759-T764 PolarHBondContact N-OG1 3.08Å; Q762-T764 PolarHBondContact O-N 2.9Å; T764-W766 PolarHBondContact O-N 3.41Å; T764-V816 HydrophobicContact CG2-CG2 3.87Å
765	N	70.8	Confident	68.5	Low	149 Å²	149	67.8 Å²	67.8	80%	0.797	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-67.2	131.8	176.7	-76.4	-42.8	0	0	0	110.3	Q763 N767	Q763-N765 PolarHBondContact O-N 3.25Å; N765-N767 PolarHBondContact O-N 3.22Å
766	W	71.8	Confident	68.5	Low	65 Å²	65	70.5 Å²	70.5	25%	0.246	38%	0.379	C	S	.	.	P	Polyproline II helix	trans	-56.2	127.6	174	175.7	-112	0	0	0	111.5	T764 L770 F811 Y812 P813 V816	T764-W766 PolarHBondContact O-N 3.41Å; W766-L770 HydrophobicContact CE3-CB 4.22Å; W766-L770 HydrophobicContact CE3-CD1 4.14Å; W766-L770 HydrophobicContact CH2-CB 3.71Å; W766-L770 HydrophobicContact CZ2-CB 4.44Å; W766-L770 HydrophobicContact CZ3-CB 3.57Å; W766-L770 HydrophobicContact CZ3-CD1 4.15Å; W766-F811 HydrophobicContact CH2-CB 4.23Å; W766-F811 HydrophobicContact CZ3-CB 3.93Å; W766-Y812 WeakPolarHBondContact CZ3-O 3.28Å; W766-P813 VanDerWaalsContact CD2-CA 3.41Å; W766-P813 HydrophobicContact CD2-CB 3.75Å; W766-P813 VanDerWaalsContact CE3-CA 3.44Å; W766-P813 HydrophobicContact CE3-CB 4.26Å; W766-P813 HydrophobicContact CG-CB 3.93Å; W766-P813 HydrophobicContact CZ2-CB 4.12Å; W766-P813 HydrophobicContact CZ2-CG 4.29Å; W766-V816 HydrophobicContact CE3-CG2 4.34Å
767	N	77.1	Confident	68.7	Low	64 Å²	64	71.4 Å²	71.4	34%	0.342	39%	0.385	S	S	.	.			trans	-109.7	127.9	168	-173.4	-32.6	0	0	0	108.6	N765 E769 L770 L777	N765-N767 PolarHBondContact O-N 3.22Å; N767-E769 PolarHBondContact O-N 3.24Å; N767-E769 VanDerWaalsContact O-N 3.08Å; N767-E769 PolarHBondContact OD1-N 3.36Å; N767-L770 HydrophobicContact CB-CD1 4.37Å; N767-L770 HydrophobicContact CB-CG 4.49Å; N767-L770 VanDerWaalsContact O-CB 3.31Å; N767-L770 WeakPolarHBondContact O-CB 3.05Å; N767-L770 PolarHBondContact O-N 3.23Å; N767-L777 HydrophobicContact CB-CD2 3.62Å; N767-L777 WeakPolarHBondContact ND2-CD2 3.41Å
768	S	75.6	Confident	69.1	Low	85 Å²	85	72.5 Å²	72.5	59%	0.594	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-58.4	-21.8	179.2	52.6	0	0	0	0	114	L770 S771	S768-L770 PolarHBondContact O-N 3.39Å; S768-S771 PolarHBondContact O-N 3.28Å; S768-S771 PolarHBondContact O-OG 3Å
769	E	76.4	Confident	69.6	Low	102 Å²	102	75.1 Å²	75.1	48%	0.477	40%	0.403	S	S	.	.	G	3₁₀ helix	trans	-63.9	-23.7	173.8	-71.1	-175	-150.9	0	0	113	N767 S771 N772 S775 L777	N767-E769 PolarHBondContact O-N 3.24Å; N767-E769 VanDerWaalsContact O-N 3.08Å; N767-E769 PolarHBondContact OD1-N 3.36Å; E769-S771 VanDerWaalsContact C-N 3.25Å; E769-S771 PolarHBondContact O-N 2.95Å; E769-N772 PolarHBondContact O-N 3.16Å; E769-N772 VanDerWaalsContact O-N 3.11Å; E769-S775 WeakPolarHBondContact O-CB 3.33Å; E769-S775 PolarHBondContact O-OG 2.06Å; E769-L777 HydrophobicContact CB-CB 4.04Å; E769-L777 HydrophobicContact CB-CD2 3.99Å
770	L	77.2	Confident	70.6	Confident	6 Å²	6	75.2 Å²	75.2	3%	0.031	41%	0.405	C	S	.	.	G	3₁₀ helix	trans	-72.1	-13.1	177	-65.5	169.3	0	0	0	113.5	W766 N767 S768 N772 L777 Y778 T781 F811 V816	W766-L770 HydrophobicContact CE3-CB 4.22Å; W766-L770 HydrophobicContact CE3-CD1 4.14Å; W766-L770 HydrophobicContact CH2-CB 3.71Å; W766-L770 HydrophobicContact CZ2-CB 4.44Å; W766-L770 HydrophobicContact CZ3-CB 3.57Å; W766-L770 HydrophobicContact CZ3-CD1 4.15Å; N767-L770 HydrophobicContact CB-CD1 4.37Å; N767-L770 HydrophobicContact CB-CG 4.49Å; N767-L770 VanDerWaalsContact O-CB 3.31Å; N767-L770 WeakPolarHBondContact O-CB 3.05Å; N767-L770 PolarHBondContact O-N 3.23Å; S768-L770 PolarHBondContact O-N 3.39Å; L770-N772 VanDerWaalsContact C-N 3.31Å; L770-L777 HydrophobicContact CD2-CD2 4.27Å; L770-L777 HydrophobicContact CD2-CG 3.93Å; L770-L777 HydrophobicContact CG-CD2 4.08Å; L770-L777 HydrophobicContact CG-CG 4.29Å; L770-Y778 VanDerWaalsContact O-CD2 3.27Å; L770-Y778 WeakPolarHBondContact O-CD2 3.38Å; L770-T781 HydrophobicContact CD2-CG2 4.16Å; L770-F811 HydrophobicContact CB-CB 4.08Å; L770-F811 HydrophobicContact CB-CD2 4.31Å; L770-F811 HydrophobicContact CB-CG 4.27Å; L770-F811 HydrophobicContact CD2-CD2 4.08Å; L770-F811 HydrophobicContact CD2-CE2 4.21Å; L770-F811 HydrophobicContact CD2-CG 4.37Å; L770-V816 HydrophobicContact CD1-CB 4.35Å; L770-V816 HydrophobicContact CD1-CG1 3.61Å; L770-V816 HydrophobicContact CD1-CG2 3.72Å
771	S	72.3	Confident	71.6	Confident	88 Å²	88	75.4 Å²	75.4	62%	0.615	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-80.6	-15.9	169.3	63.4	0	0	0	0	112.9	S768 E769	S768-S771 PolarHBondContact O-N 3.28Å; S768-S771 PolarHBondContact O-OG 3Å; E769-S771 VanDerWaalsContact C-N 3.25Å; E769-S771 PolarHBondContact O-N 2.95Å
772	N	70.9	Confident	73	Confident	78 Å²	78	72.4 Å²	72.4	42%	0.417	39%	0.39	S	S	.	.			trans	-98.6	105	179.4	-179.4	6.8	0	0	0	110	E769 L770 F774 S775 Y778	E769-N772 PolarHBondContact O-N 3.16Å; E769-N772 VanDerWaalsContact O-N 3.11Å; L770-N772 VanDerWaalsContact C-N 3.31Å; N772-F774 PolarHBondContact O-N 2.83Å; N772-F774 WeakPolarHBondContact OD1-CB 3.3Å; N772-F774 WeakPolarHBondContact OD1-CD2 3.42Å; N772-F774 PolarHBondContact OD1-N 2.86Å; N772-S775 WeakPolarHBondContact O-CB 3.25Å; N772-S775 PolarHBondContact O-N 2.68Å; N772-S775 PolarHBondContact O-OG 3.01Å; N772-S775 VanDerWaalsContact O-OG 3.13Å; N772-Y778 VanDerWaalsContact O-CB 3.29Å; N772-Y778 WeakPolarHBondContact O-CB 3.45Å
773	K	68.2	Low	74.3	Confident	131 Å²	131	69.6 Å²	69.6	57%	0.57	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-13.2	177.4	71.1	177.8	-174.7	175.9	0	115.5	Y778	K773-Y778 HydrophobicContact CB-CD1 4.42Å; K773-Y778 HydrophobicContact CB-CD2 4.34Å; K773-Y778 HydrophobicContact CB-CE1 4.14Å; K773-Y778 HydrophobicContact CB-CE2 4.04Å
774	F	68.8	Low	75.3	Confident	162 Å²	162	70.3 Å²	70.3	71%	0.711	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	2.1	177.3	-52.6	-71.8	0	0	0	113.1	N772	N772-F774 PolarHBondContact O-N 2.83Å; N772-F774 WeakPolarHBondContact OD1-CB 3.3Å; N772-F774 WeakPolarHBondContact OD1-CD2 3.42Å; N772-F774 PolarHBondContact OD1-N 2.86Å
775	S	70.9	Confident	76.2	Confident	12 Å²	12	69.2 Å²	69.2	8%	0.084	37%	0.371	C	S	.	.	S	Bend	trans	-78.5	147.4	178.4	79.5	0	0	0	0	111.4	E769 N772 L777 Y778 N779	E769-S775 WeakPolarHBondContact O-CB 3.33Å; E769-S775 PolarHBondContact O-OG 2.06Å; N772-S775 WeakPolarHBondContact O-CB 3.25Å; N772-S775 PolarHBondContact O-N 2.68Å; N772-S775 PolarHBondContact O-OG 3.01Å; N772-S775 VanDerWaalsContact O-OG 3.13Å; S775-L777 PolarHBondContact O-N 2.76Å; S775-Y778 PolarHBondContact O-N 3.44Å; S775-Y778 VanDerWaalsContact OG-CB 3.25Å; S775-Y778 WeakPolarHBondContact OG-CB 3.27Å; S775-Y778 PolarHBondContact OG-N 2.8Å; S775-N779 PolarHBondContact O-N 2.91Å
776	G	74.3	Confident	76.9	Confident	57 Å²	57	62.9 Å²	62.9	59%	0.588	34%	0.339	S	S	*	.	H	α-helix	trans	-62	-29.9	173.3	0	0	0	0	0	112.3	S780	G776-S780 VanDerWaalsContact O-CB 3.27Å; G776-S780 WeakPolarHBondContact O-CB 3.49Å; G776-S780 PolarHBondContact O-N 2.84Å; G776-S780 PolarHBondContact O-OG 3.32Å
777	L	76.6	Confident	77.4	Confident	52 Å²	52	63 Å²	63	27%	0.272	35%	0.346	S	S	.	.	H	α-helix	trans	-69.7	-40.3	175.3	-171.1	64.7	0	0	0	112.3	N767 E769 L770 S775 S780 T781	N767-L777 HydrophobicContact CB-CD2 3.62Å; N767-L777 WeakPolarHBondContact ND2-CD2 3.41Å; E769-L777 HydrophobicContact CB-CB 4.04Å; E769-L777 HydrophobicContact CB-CD2 3.99Å; L770-L777 HydrophobicContact CD2-CD2 4.27Å; L770-L777 HydrophobicContact CD2-CG 3.93Å; L770-L777 HydrophobicContact CG-CD2 4.08Å; L770-L777 HydrophobicContact CG-CG 4.29Å; S775-L777 PolarHBondContact O-N 2.76Å; L777-S780 PolarHBondContact O-OG 2.98Å; L777-T781 WeakPolarHBondContact O-CB 3.47Å; L777-T781 PolarHBondContact O-N 2.97Å; L777-T781 PolarHBondContact O-OG1 2.83Å
778	Y	81.2	Confident	77.6	Confident	26 Å²	26	60.3 Å²	60.3	10%	0.102	33%	0.332	C	S	.	.	H	α-helix	trans	-58.1	-53.8	175.2	-176.8	-76.1	0	0	0	110.5	L770 N772 K773 S775 T781 G782 L809 F811	L770-Y778 VanDerWaalsContact O-CD2 3.27Å; L770-Y778 WeakPolarHBondContact O-CD2 3.38Å; N772-Y778 VanDerWaalsContact O-CB 3.29Å; N772-Y778 WeakPolarHBondContact O-CB 3.45Å; K773-Y778 HydrophobicContact CB-CD1 4.42Å; K773-Y778 HydrophobicContact CB-CD2 4.34Å; K773-Y778 HydrophobicContact CB-CE1 4.14Å; K773-Y778 HydrophobicContact CB-CE2 4.04Å; S775-Y778 PolarHBondContact O-N 3.44Å; S775-Y778 VanDerWaalsContact OG-CB 3.25Å; S775-Y778 WeakPolarHBondContact OG-CB 3.27Å; S775-Y778 PolarHBondContact OG-N 2.8Å; Y778-T781 PolarHBondContact O-N 3.47Å; Y778-G782 PolarHBondContact O-N 3.5Å; Y778-L809 PolarHBondContact OH-O 3.2Å; Y778-F811 HydrophobicContact CD1-CE2 4.23Å; Y778-F811 AromaticContact CD2-CD2 3.43Å; Y778-F811 HydrophobicContact CD2-CD2 3.43Å; Y778-F811 VanDerWaalsContact CD2-CD2 3.43Å; Y778-F811 AromaticContact CD2-CE2 3.77Å; Y778-F811 HydrophobicContact CD2-CE2 3.77Å; Y778-F811 HydrophobicContact CE1-CE2 4.3Å; Y778-F811 AromaticContact CE2-CD2 3.44Å; Y778-F811 HydrophobicContact CE2-CD2 3.44Å; Y778-F811 VanDerWaalsContact CE2-CD2 3.44Å; Y778-F811 AromaticContact CE2-CE2 3.86Å; Y778-F811 HydrophobicContact CE2-CE2 3.86Å; Y778-F811 HydrophobicContact CG-CD2 4.08Å; Y778-F811 AromaticContact CG-CE2 3.94Å; Y778-F811 HydrophobicContact CG-CE2 3.94Å
779	N	75.8	Confident	78.1	Confident	95 Å²	95	56.2 Å²	56.2	51%	0.508	30%	0.304	S	S	.	.	H	α-helix	trans	-63.4	-48.7	-178	-70.1	-8.9	0	0	0	111.7	S775 T781 G782 E783	S775-N779 PolarHBondContact O-N 2.91Å; N779-T781 VanDerWaalsContact C-N 3.3Å; N779-T781 PolarHBondContact O-N 3.5Å; N779-G782 PolarHBondContact O-N 2.86Å; N779-E783 WeakPolarHBondContact O-CB 3.25Å; N779-E783 PolarHBondContact O-N 3.39Å
780	S	80.8	Confident	78.5	Confident	42 Å²	42	54.6 Å²	54.6	29%	0.294	30%	0.295	S	S	.	.	H	α-helix	trans	-67.3	-28.2	-179.6	61.5	0	0	0	0	113.6	G776 L777 K784	G776-S780 VanDerWaalsContact O-CB 3.27Å; G776-S780 WeakPolarHBondContact O-CB 3.49Å; G776-S780 PolarHBondContact O-N 2.84Å; G776-S780 PolarHBondContact O-OG 3.32Å; L777-S780 PolarHBondContact O-OG 2.98Å; S780-K784 VanDerWaalsContact O-CG 3.25Å; S780-K784 WeakPolarHBondContact O-CG 3.31Å; S780-K784 PolarHBondContact O-N 3.12Å
781	T	80.5	Confident	78.6	Confident	17 Å²	17	55 Å²	55	10%	0.104	30%	0.299	C	S	.	.	H	α-helix	trans	-76	-42.2	174	-55.4	0	0	0	0	110.4	I757 L770 L777 Y778 N779 K784 I785 F811	I757-T781 HydrophobicContact CD1-CG2 3.66Å; L770-T781 HydrophobicContact CD2-CG2 4.16Å; L777-T781 WeakPolarHBondContact O-CB 3.47Å; L777-T781 PolarHBondContact O-N 2.97Å; L777-T781 PolarHBondContact O-OG1 2.83Å; Y778-T781 PolarHBondContact O-N 3.47Å; N779-T781 VanDerWaalsContact C-N 3.3Å; N779-T781 PolarHBondContact O-N 3.5Å; T781-K784 PolarHBondContact O-N 3.11Å; T781-I785 HydrophobicContact CG2-CD1 4.43Å; T781-I785 WeakPolarHBondContact O-CG1 3.27Å; T781-I785 PolarHBondContact O-N 3.2Å; T781-I785 VanDerWaalsContact O-N 3.16Å; T781-F811 HydrophobicContact CG2-CE1 3.92Å; T781-F811 HydrophobicContact CG2-CZ 3.84Å
782	G	81.9	Confident	78.9	Confident	7 Å²	7	50.8 Å²	50.8	7%	0.072	27%	0.27	C	S	.	.	H	α-helix	trans	-64.2	-41.4	176.8	0	0	0	0	0	113.2	Y778 N779 K784 I785 C786	Y778-G782 PolarHBondContact O-N 3.5Å; N779-G782 PolarHBondContact O-N 2.86Å; G782-K784 VanDerWaalsContact C-N 3.3Å; G782-K784 PolarHBondContact O-N 2.92Å; G782-I785 WeakPolarHBondContact O-CB 3.47Å; G782-I785 PolarHBondContact O-N 3.06Å; G782-C786 PolarHBondContact O-N 2.99Å
783	E	82.2	Confident	79.2	Confident	97 Å²	97	48 Å²	48	45%	0.453	26%	0.255	S	S	.	.	H	α-helix	trans	-59.5	-40.4	175.5	-172.4	-178	-177.1	0	0	111.7	G518 N779 C786 T787	G518-E783 WeakPolarHBondContact CA-OE1 3.44Å; N779-E783 WeakPolarHBondContact O-CB 3.25Å; N779-E783 PolarHBondContact O-N 3.39Å; E783-C786 PolarHBondContact O-N 3.08Å; E783-T787 WeakPolarHBondContact O-CB 3.34Å; E783-T787 PolarHBondContact O-N 3.31Å; E783-T787 PolarHBondContact O-OG1 2.87Å
784	K	81.7	Confident	79.4	Confident	114 Å²	114	51.7 Å²	51.7	50%	0.496	27%	0.266	S	S	.	.	H	α-helix	trans	-66.6	-39.4	176.8	-71.2	174.3	-167.3	177.5	0	112.7	S780 T781 G782 L788 L864	S780-K784 VanDerWaalsContact O-CG 3.25Å; S780-K784 WeakPolarHBondContact O-CG 3.31Å; S780-K784 PolarHBondContact O-N 3.12Å; T781-K784 PolarHBondContact O-N 3.11Å; G782-K784 VanDerWaalsContact C-N 3.3Å; G782-K784 PolarHBondContact O-N 2.92Å; K784-L788 WeakPolarHBondContact O-CB 3.47Å; K784-L788 PolarHBondContact O-N 3.47Å; K784-L788 VanDerWaalsContact O-N 3.07Å; K784-L864 HydrophobicContact CB-CD1 3.55Å; K784-L864 HydrophobicContact CD-CD1 3.34Å; K784-L864 HydrophobicContact CG-CD1 4.02Å
785	I	84.7	Confident	79.3	Confident	5 Å²	5	47.2 Å²	47.2	3%	0.026	25%	0.245	C	C	.	.	H	α-helix	trans	-62.8	-48.8	175	-67.3	164.4	0	0	0	109.9	V755 I757 T781 G782 T787 L788 I789 V808 F811 V820	V755-I785 HydrophobicContact CG2-CD1 4.43Å; V755-I785 HydrophobicContact CG2-CG2 3.98Å; I757-I785 HydrophobicContact CD1-CD1 3.31Å; I757-I785 HydrophobicContact CD1-CG1 3.84Å; I757-I785 HydrophobicContact CG1-CD1 3.97Å; I757-I785 HydrophobicContact CG1-CG1 4.23Å; T781-I785 HydrophobicContact CG2-CD1 4.43Å; T781-I785 WeakPolarHBondContact O-CG1 3.27Å; T781-I785 PolarHBondContact O-N 3.2Å; T781-I785 VanDerWaalsContact O-N 3.16Å; G782-I785 WeakPolarHBondContact O-CB 3.47Å; G782-I785 PolarHBondContact O-N 3.06Å; I785-T787 PolarHBondContact O-N 3.48Å; I785-L788 WeakPolarHBondContact O-CB 3.4Å; I785-L788 PolarHBondContact O-N 3.24Å; I785-I789 HydrophobicContact CG2-CD1 3.66Å; I785-I789 WeakPolarHBondContact O-CG1 3.16Å; I785-I789 PolarHBondContact O-N 3.47Å; I785-V808 HydrophobicContact CB-CG2 4.48Å; I785-V808 HydrophobicContact CD1-CG2 4.4Å; I785-V808 HydrophobicContact CG2-CG2 4.43Å; I785-F811 HydrophobicContact CD1-CE1 3.48Å; I785-F811 VanDerWaalsContact CD1-CE1 3.48Å; I785-F811 HydrophobicContact CD1-CZ 3.84Å; I785-V820 HydrophobicContact CG2-CG2 3.92Å
786	C	86.3	Confident	78.8	Confident	16 Å²	16	47.3 Å²	47.3	11%	0.108	24%	0.244	C	C	.	.	H	α-helix	trans	-67.9	-35.6	-179.8	-76.6	0	0	0	0	113	G782 E783 L788 I789 K790 C806	G782-C786 PolarHBondContact O-N 2.99Å; E783-C786 PolarHBondContact O-N 3.08Å; C786-L788 VanDerWaalsContact C-N 3.28Å; C786-L788 PolarHBondContact O-N 2.91Å; C786-I789 PolarHBondContact O-N 3.05Å; C786-K790 VanDerWaalsContact O-CB 3.26Å; C786-K790 WeakPolarHBondContact O-CB 3.48Å; C786-K790 VanDerWaalsContact O-CG 3.28Å; C786-K790 WeakPolarHBondContact O-CG 3.43Å; C786-K790 PolarHBondContact O-N 2.96Å; C786-C806 WeakPolarHBondContact CA-SG 3.31Å; C786-C806 HydrophobicContact CB-CB 3.65Å; C786-C806 WeakPolarHBondContact CB-SG 3.3Å; C786-C806 WeakPolarHBondContact SG-CB 3.5Å; C786-C806 PolarHBondContact SG-O 2.97Å; C786-C806 CovalentContact SG-SG 2.05Å; C786-C806 PolarHBondContact SG-SG 2.67Å
787	T	82.2	Confident	77.8	Confident	66 Å²	66	49.6 Å²	49.6	41%	0.405	25%	0.247	S	C	.	.	H	α-helix	trans	-57.9	-44.9	171.4	-59.9	0	0	0	0	110.9	E783 I785 A791	E783-T787 WeakPolarHBondContact O-CB 3.34Å; E783-T787 PolarHBondContact O-N 3.31Å; E783-T787 PolarHBondContact O-OG1 2.87Å; I785-T787 PolarHBondContact O-N 3.48Å; T787-A791 VanDerWaalsContact O-CB 3.23Å; T787-A791 WeakPolarHBondContact O-CB 3.48Å; T787-A791 PolarHBondContact O-N 2.05Å
788	L	81	Confident	76.6	Confident	8 Å²	8	47.9 Å²	47.9	4%	0.042	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-46.6	179.5	-179.9	59.2	0	0	0	111.9	K784 I785 C786 A791 S792 S845 Y848 V849 L864 F866	K784-L788 WeakPolarHBondContact O-CB 3.47Å; K784-L788 PolarHBondContact O-N 3.47Å; K784-L788 VanDerWaalsContact O-N 3.07Å; I785-L788 WeakPolarHBondContact O-CB 3.4Å; I785-L788 PolarHBondContact O-N 3.24Å; C786-L788 VanDerWaalsContact C-N 3.28Å; C786-L788 PolarHBondContact O-N 2.91Å; L788-A791 PolarHBondContact O-N 3.45Å; L788-S792 PolarHBondContact O-N 3.22Å; L788-S792 VanDerWaalsContact O-N 3.08Å; L788-S845 WeakPolarHBondContact CD1-O 3.25Å; L788-Y848 HydrophobicContact CD1-CD1 3.33Å; L788-Y848 HydrophobicContact CD1-CE1 3.99Å; L788-Y848 HydrophobicContact CD1-CG 4.18Å; L788-V849 HydrophobicContact CD1-CG2 3.76Å; L788-V849 HydrophobicContact CD2-CG2 4.46Å; L788-L864 WeakPolarHBondContact CD2-O 3.23Å; L788-F866 HydrophobicContact CB-CE1 4.08Å; L788-F866 HydrophobicContact CD2-CD1 3.28Å; L788-F866 HydrophobicContact CD2-CE1 3.39Å; L788-F866 HydrophobicContact CD2-CG 4.37Å; L788-F866 HydrophobicContact CG-CD1 3.95Å; L788-F866 HydrophobicContact CG-CE1 3.48Å; L788-F866 VanDerWaalsContact CG-CE1 3.48Å; L788-F866 HydrophobicContact CG-CZ 4.45Å
789	I	85.5	Confident	75.3	Confident	0 Å²	0	47 Å²	47	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.1	-46.3	177.7	-65.1	159.4	0	0	0	111.1	M753 I785 C786 A791 S792 P793 V803 V820 I822 I841 F866	M753-I789 HydrophobicContact CE-CD1 3.31Å; M753-I789 HydrophobicContact CE-CG1 3.79Å; M753-I789 HydrophobicContact CE-CG2 4.04Å; I785-I789 HydrophobicContact CG2-CD1 3.66Å; I785-I789 WeakPolarHBondContact O-CG1 3.16Å; I785-I789 PolarHBondContact O-N 3.47Å; C786-I789 PolarHBondContact O-N 3.05Å; I789-A791 VanDerWaalsContact C-N 3.27Å; I789-A791 PolarHBondContact O-N 3.17Å; I789-S792 VanDerWaalsContact O-CB 3.29Å; I789-S792 WeakPolarHBondContact O-CB 3.07Å; I789-S792 PolarHBondContact O-N 3.33Å; I789-S792 VanDerWaalsContact O-N 3.16Å; I789-S792 PolarHBondContact O-OG 2.83Å; I789-P793 WeakPolarHBondContact O-CD 3.23Å; I789-V803 HydrophobicContact CG2-CG1 4.07Å; I789-V803 HydrophobicContact CG2-CG2 4.38Å; I789-V820 HydrophobicContact CD1-CB 4.41Å; I789-V820 HydrophobicContact CD1-CG1 3.76Å; I789-V820 HydrophobicContact CD1-CG2 4.43Å; I789-I822 HydrophobicContact CG2-CG2 4.16Å; I789-I841 HydrophobicContact CG1-CG2 4.32Å; I789-I841 HydrophobicContact CG2-CD1 4.43Å; I789-I841 HydrophobicContact CG2-CG2 3.95Å; I789-F866 HydrophobicContact CD1-CE1 4.39Å; I789-F866 HydrophobicContact CD1-CZ 4.48Å; I789-F866 HydrophobicContact CG1-CE1 3.54Å; I789-F866 HydrophobicContact CG1-CZ 3.52Å
790	K	85.9	Confident	74.8	Confident	68 Å²	68	47.7 Å²	47.7	30%	0.296	24%	0.24	S	C	.	.	H	α-helix	trans	-65.9	-28.6	179.2	-72.3	-169.5	168.4	-165	0	112.8	E522 C786 P793 V803 P804 C806	E522-K790 IonicContact OE1-NZ 3.69Å; E522-K790 PolarHBondContact OE1-NZ 2.91Å; C786-K790 VanDerWaalsContact O-CB 3.26Å; C786-K790 WeakPolarHBondContact O-CB 3.48Å; C786-K790 VanDerWaalsContact O-CG 3.28Å; C786-K790 WeakPolarHBondContact O-CG 3.43Å; C786-K790 PolarHBondContact O-N 2.96Å; K790-P793 WeakPolarHBondContact O-CD 3.44Å; K790-V803 WeakPolarHBondContact CG-O 3.32Å; K790-P804 WeakPolarHBondContact CE-O 3.44Å; K790-P804 PolarHBondContact NZ-O 2.9Å; K790-C806 HydrophobicContact CG-CB 4.39Å
791	A	79.7	Confident	74.6	Confident	14 Å²	14	46.2 Å²	46.2	12%	0.116	23%	0.228	C	C	.	.	H	α-helix	trans	-78.6	-26.2	174.9	0	0	0	0	0	112.8	T787 L788 I789 P793 R794 Y795 Y848	T787-A791 VanDerWaalsContact O-CB 3.23Å; T787-A791 WeakPolarHBondContact O-CB 3.48Å; T787-A791 PolarHBondContact O-N 2.05Å; L788-A791 PolarHBondContact O-N 3.45Å; I789-A791 VanDerWaalsContact C-N 3.27Å; I789-A791 PolarHBondContact O-N 3.17Å; A791-P793 VanDerWaalsContact C-N 3.33Å; A791-R794 WeakPolarHBondContact O-CB 3.2Å; A791-R794 PolarHBondContact O-N 2.95Å; A791-R794 VanDerWaalsContact O-N 3.1Å; A791-Y795 WeakPolarHBondContact O-CD2 3.4Å; A791-Y848 HydrophobicContact CB-CD1 4.45Å; A791-Y848 HydrophobicContact CB-CD2 3.54Å; A791-Y848 HydrophobicContact CB-CE2 3.64Å; A791-Y848 HydrophobicContact CB-CG 3.94Å
792	S	78.9	Confident	74.6	Confident	0 Å²	0	48.8 Å²	48.8	0%	0	24%	0.244	C	C	.	.	G	3₁₀ helix	trans	-50	-40.8	-175.8	74.3	0	0	0	0	115.2	L788 I789 R794 Y795 I841 G844 S845	L788-S792 PolarHBondContact O-N 3.22Å; L788-S792 VanDerWaalsContact O-N 3.08Å; I789-S792 VanDerWaalsContact O-CB 3.29Å; I789-S792 WeakPolarHBondContact O-CB 3.07Å; I789-S792 PolarHBondContact O-N 3.33Å; I789-S792 VanDerWaalsContact O-N 3.16Å; I789-S792 PolarHBondContact O-OG 2.83Å; S792-R794 PolarHBondContact O-N 2.88Å; S792-Y795 PolarHBondContact O-N 2.85Å; S792-Y795 VanDerWaalsContact O-N 3.1Å; S792-I841 WeakPolarHBondContact CB-O 3.38Å; S792-G844 WeakPolarHBondContact O-CA 3.48Å; S792-S845 WeakPolarHBondContact CB-OG 3.09Å
793	P	76	Confident	74.7	Confident	18 Å²	18	48.9 Å²	48.9	12%	0.117	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-65.7	-25.1	-176.4	-14.6	29.3	0	0	0	113.3	I789 K790 A791 Y795 I796 F801 V803	I789-P793 WeakPolarHBondContact O-CD 3.23Å; K790-P793 WeakPolarHBondContact O-CD 3.44Å; A791-P793 VanDerWaalsContact C-N 3.33Å; P793-Y795 PolarHBondContact O-N 3.23Å; P793-I796 VanDerWaalsContact O-CG1 3.27Å; P793-I796 WeakPolarHBondContact O-CG1 3.42Å; P793-I796 PolarHBondContact O-N 2.82Å; P793-I796 VanDerWaalsContact O-O 3.08Å; P793-F801 HydrophobicContact CB-CD2 4.14Å; P793-F801 HydrophobicContact CB-CE2 4.05Å; P793-F801 HydrophobicContact CB-CZ 4.39Å; P793-F801 WeakPolarHBondContact CB-O 3.37Å; P793-F801 HydrophobicContact CG-CD2 3.83Å; P793-F801 HydrophobicContact CG-CE2 3.57Å; P793-F801 HydrophobicContact CG-CZ 4.24Å; P793-V803 HydrophobicContact CG-CG2 4.03Å
794	R	72.2	Confident	74.3	Confident	209 Å²	209	46.3 Å²	46.3	79%	0.789	24%	0.235	S	C	*	.	G	3₁₀ helix	trans	-70.7	-17.2	178.6	-61.7	-176.7	179.5	-169.5	-2.4	113.4	A791 S792	A791-R794 WeakPolarHBondContact O-CB 3.2Å; A791-R794 PolarHBondContact O-N 2.95Å; A791-R794 VanDerWaalsContact O-N 3.1Å; S792-R794 PolarHBondContact O-N 2.88Å
795	Y	66.4	Low	74.2	Confident	69 Å²	69	43.4 Å²	43.4	27%	0.271	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-107.1	1	-175.9	-70.7	-94	0	0	0	112.8	A791 S792 P793 L847 Y848 D851	A791-Y795 WeakPolarHBondContact O-CD2 3.4Å; S792-Y795 PolarHBondContact O-N 2.85Å; S792-Y795 VanDerWaalsContact O-N 3.1Å; P793-Y795 PolarHBondContact O-N 3.23Å; Y795-L847 HydrophobicContact CD1-CB 4.15Å; Y795-L847 HydrophobicContact CG-CB 4.26Å; Y795-L847 WeakPolarHBondContact O-CD1 3.2Å; Y795-Y848 HydrophobicContact CD2-CD2 4.17Å; Y795-Y848 AromaticContact CE2-CD2 3.44Å; Y795-Y848 HydrophobicContact CE2-CD2 3.44Å; Y795-Y848 VanDerWaalsContact CE2-CD2 3.44Å; Y795-Y848 HydrophobicContact CE2-CE2 4.44Å; Y795-Y848 HydrophobicContact CE2-CG 4.15Å; Y795-Y848 AromaticContact CZ-CD2 3.8Å; Y795-D851 HydrophobicContact CD1-CB 4.35Å; Y795-D851 HydrophobicContact CE1-CB 3.42Å; Y795-D851 VanDerWaalsContact CE1-CB 3.42Å; Y795-D851 PolarHBondContact OH-OD2 2.64Å
796	I	61.3	Low	74.3	Confident	13 Å²	13	44 Å²	44	7%	0.067	23%	0.231	C	C	.	.			trans	-117.3	146.6	174	54.3	163.7	0	0	0	108.9	P793 F801 A840 L843	P793-I796 VanDerWaalsContact O-CG1 3.27Å; P793-I796 WeakPolarHBondContact O-CG1 3.42Å; P793-I796 PolarHBondContact O-N 2.82Å; P793-I796 VanDerWaalsContact O-O 3.08Å; I796-F801 HydrophobicContact CD1-CD1 3.85Å; I796-F801 HydrophobicContact CD1-CE1 3.01Å; I796-F801 HydrophobicContact CD1-CZ 3.42Å; I796-F801 VanDerWaalsContact CD1-CZ 3.42Å; I796-F801 HydrophobicContact CG1-CE1 4.43Å; I796-A840 HydrophobicContact CD1-CB 3.68Å; I796-A840 WeakPolarHBondContact CG2-O 3.3Å; I796-L843 HydrophobicContact CG2-CD2 4.49Å; I796-L843 HydrophobicContact CG2-CG 4.49Å
797	T	53.1	Low	74.1	Confident	106 Å²	106	46.8 Å²	46.8	65%	0.65	25%	0.247	S	C	*	.	S	Bend	trans	-117	-28.2	173.4	52.9	0	0	0	0	111	V799	T797-V799 PolarHBondContact O-N 3.28Å
798	S	50.9	Low	74.2	Confident	16 Å²	16	44.6 Å²	44.6	11%	0.112	23%	0.234	C	C	.	.	S	Bend		37.5	-101.2	121.3	125.9	0	0	0	0	118.7	I713	I713-S798 VanDerWaalsContact CD1-N 3.34Å; I713-S798 WeakPolarHBondContact CD1-O 3.5Å; I713-S798 VanDerWaalsContact CG1-O 3.23Å; I713-S798 WeakPolarHBondContact CG1-O 3.25Å
799	V	54.4	Low	73.9	Confident	7 Å²	7	47.7 Å²	47.7	4%	0.042	25%	0.25	C	S	.	.	S	Bend	trans	-138.8	125.8	-175.1	178.6	0	0	0	0	104.3	T797 F801 V832	T797-V799 PolarHBondContact O-N 3.28Å; V799-F801 VanDerWaalsContact C-N 3.3Å; V799-F801 HydrophobicContact CB-CD1 3.64Å; V799-F801 HydrophobicContact CB-CE1 4.02Å; V799-F801 HydrophobicContact CG1-CB 4.35Å; V799-F801 HydrophobicContact CG1-CD1 3.62Å; V799-F801 HydrophobicContact CG1-CE1 4.38Å; V799-F801 HydrophobicContact CG1-CG 4.47Å; V799-F801 VanDerWaalsContact O-CD1 3.3Å; V799-F801 WeakPolarHBondContact O-CD1 3.37Å; V799-F801 PolarHBondContact O-N 2.85Å; V799-V832 HydrophobicContact CG1-CB 4.39Å; V799-V832 HydrophobicContact CG1-CG1 3.96Å; V799-V832 HydrophobicContact CG1-CG2 3.67Å; V799-V832 HydrophobicContact CG2-CG1 3.93Å; V799-V832 HydrophobicContact CG2-CG2 4.42Å
800	L	65.8	Low	73.3	Confident	110 Å²	110	50 Å²	50	58%	0.576	26%	0.259	S	S	*	.			trans	-77	90.6	173.2	-70.1	171.2	0	0	0	107.9	Y826 I827	L800-Y826 WeakPolarHBondContact O-CA 3.45Å; L800-I827 HydrophobicContact CB-CD1 3.91Å; L800-I827 HydrophobicContact CB-CG1 4.34Å; L800-I827 HydrophobicContact CD1-CD1 3.9Å; L800-I827 PolarHBondContact O-N 3.44Å
801	F	76.4	Confident	73	Confident	10 Å²	10	47.3 Å²	47.3	4%	0.044	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	161.2	171	70.4	-90.7	0	0	0	111.9	P793 I796 V799 V803 V824 E825 I837 A840 I841	P793-F801 HydrophobicContact CB-CD2 4.14Å; P793-F801 HydrophobicContact CB-CE2 4.05Å; P793-F801 HydrophobicContact CB-CZ 4.39Å; P793-F801 WeakPolarHBondContact CB-O 3.37Å; P793-F801 HydrophobicContact CG-CD2 3.83Å; P793-F801 HydrophobicContact CG-CE2 3.57Å; P793-F801 HydrophobicContact CG-CZ 4.24Å; I796-F801 HydrophobicContact CD1-CD1 3.85Å; I796-F801 HydrophobicContact CD1-CE1 3.01Å; I796-F801 HydrophobicContact CD1-CZ 3.42Å; I796-F801 VanDerWaalsContact CD1-CZ 3.42Å; I796-F801 HydrophobicContact CG1-CE1 4.43Å; V799-F801 VanDerWaalsContact C-N 3.3Å; V799-F801 HydrophobicContact CB-CD1 3.64Å; V799-F801 HydrophobicContact CB-CE1 4.02Å; V799-F801 HydrophobicContact CG1-CB 4.35Å; V799-F801 HydrophobicContact CG1-CD1 3.62Å; V799-F801 HydrophobicContact CG1-CE1 4.38Å; V799-F801 HydrophobicContact CG1-CG 4.47Å; V799-F801 VanDerWaalsContact O-CD1 3.3Å; V799-F801 WeakPolarHBondContact O-CD1 3.37Å; V799-F801 PolarHBondContact O-N 2.85Å; F801-V803 HydrophobicContact CD2-CG2 3.8Å; F801-V803 HydrophobicContact CE2-CG2 3.64Å; F801-V824 HydrophobicContact CB-CG1 3.63Å; F801-V824 HydrophobicContact CD2-CG1 3.61Å; F801-V824 HydrophobicContact CG-CG1 3.85Å; F801-E825 CarbonylContact C-O 3.54Å; F801-E825 WeakPolarHBondContact CA-O 3.46Å; F801-E825 WeakPolarHBondContact CB-O 3.34Å; F801-I837 HydrophobicContact CE1-CG2 4.45Å; F801-I837 HydrophobicContact CE2-CG2 4.36Å; F801-I837 HydrophobicContact CZ-CG2 4.35Å; F801-A840 HydrophobicContact CE1-CB 3.77Å; F801-A840 HydrophobicContact CZ-CB 4.2Å; F801-I841 HydrophobicContact CE2-CD1 4.09Å; F801-I841 HydrophobicContact CE2-CG1 3.57Å; F801-I841 HydrophobicContact CZ-CD1 4.38Å; F801-I841 HydrophobicContact CZ-CG1 3.5Å; F801-I841 VanDerWaalsContact CZ-CG1 3.5Å
802	T	80.7	Confident	72.7	Confident	72 Å²	72	48.9 Å²	48.9	44%	0.442	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	150.5	167.7	46.7	0	0	0	0	108.4	P804 V824 E825	T802-P804 VanDerWaalsContact C-CD 3.42Å; T802-P804 WeakPolarHBondContact O-CD 3.48Å; T802-V824 WeakPolarHBondContact O-CA 3.47Å; T802-E825 PolarHBondContact N-O 3.4Å; T802-E825 PolarHBondContact O-N 2.97Å; T802-E825 WeakPolarHBondContact OG1-CB 3.37Å
803	V	83.4	Confident	71.9	Confident	9 Å²	9	50.4 Å²	50.4	6%	0.055	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	81.1	174.9	-173.5	0	0	0	0	107.8	I789 K790 P793 F801 T805 I822 V824 I841	I789-V803 HydrophobicContact CG2-CG1 4.07Å; I789-V803 HydrophobicContact CG2-CG2 4.38Å; K790-V803 WeakPolarHBondContact CG-O 3.32Å; P793-V803 HydrophobicContact CG-CG2 4.03Å; F801-V803 HydrophobicContact CD2-CG2 3.8Å; F801-V803 HydrophobicContact CE2-CG2 3.64Å; V803-T805 VanDerWaalsContact C-N 3.31Å; V803-T805 VanDerWaalsContact CG1-O 3.29Å; V803-T805 WeakPolarHBondContact CG1-O 3.25Å; V803-T805 PolarHBondContact O-N 2.95Å; V803-I822 HydrophobicContact CG1-CB 3.93Å; V803-I822 HydrophobicContact CG1-CG2 4.17Å; V803-V824 HydrophobicContact CG2-CG2 4.37Å; V803-I841 HydrophobicContact CG2-CD1 4.38Å
804	P	73.4	Confident	71	Confident	43 Å²	43	50 Å²	50	28%	0.279	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	-42.7	-179.1	22.7	-36.1	0	0	0	111.8	K790 T802 I823 E825	K790-P804 WeakPolarHBondContact CE-O 3.44Å; K790-P804 PolarHBondContact NZ-O 2.9Å; T802-P804 VanDerWaalsContact C-CD 3.42Å; T802-P804 WeakPolarHBondContact O-CD 3.48Å; P804-I823 WeakPolarHBondContact CD-O 3.22Å; P804-I823 HydrophobicContact CG-CB 4.45Å; P804-I823 HydrophobicContact CG-CG2 4.28Å; P804-E825 HydrophobicContact CG-CG 4.19Å
805	T	80.7	Confident	70.3	Confident	53 Å²	53	40.4 Å²	40.4	33%	0.325	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	140.1	-177.6	78.9	0	0	0	0	111.7	V803 I822 I823	V803-T805 VanDerWaalsContact C-N 3.31Å; V803-T805 VanDerWaalsContact CG1-O 3.29Å; V803-T805 WeakPolarHBondContact CG1-O 3.25Å; V803-T805 PolarHBondContact O-N 2.95Å; T805-I822 WeakPolarHBondContact O-CA 3.33Å; T805-I823 HydrophobicContact CG2-CB 4.38Å; T805-I823 HydrophobicContact CG2-CD1 4.06Å; T805-I823 PolarHBondContact O-N 3.39Å; T805-I823 VanDerWaalsContact O-N 3.15Å; T805-I823 WeakPolarHBondContact OG1-CB 3.24Å; T805-I823 WeakPolarHBondContact OG1-CD1 3.37Å; T805-I823 WeakPolarHBondContact OG1-CG1 3.49Å; T805-I823 PolarHBondContact OG1-N 2.99Å; T805-I823 VanDerWaalsContact OG1-N 3.14Å
806	C	86.7	Confident	70.3	Confident	18 Å²	18	37.2 Å²	37.2	12%	0.122	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145	126	171.8	171.3	0	0	0	0	108.7	C786 K790 V820 Q821 I822	C786-C806 WeakPolarHBondContact CA-SG 3.31Å; C786-C806 HydrophobicContact CB-CB 3.65Å; C786-C806 WeakPolarHBondContact CB-SG 3.3Å; C786-C806 WeakPolarHBondContact SG-CB 3.5Å; C786-C806 PolarHBondContact SG-O 2.97Å; C786-C806 CovalentContact SG-SG 2.05Å; C786-C806 PolarHBondContact SG-SG 2.67Å; K790-C806 HydrophobicContact CG-CB 4.39Å; C806-V820 VanDerWaalsContact SG-CG1 3.51Å; C806-Q821 WeakPolarHBondContact CA-O 3.23Å; C806-I822 HydrophobicContact CB-CG2 4.05Å
807	T	82.5	Confident	70.9	Confident	73 Å²	73	40 Å²	40	45%	0.448	22%	0.224	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	123.1	-175.6	-56	0	0	0	0	109.4	L809 V820 Q821	T807-L809 HydrophobicContact CG2-CD2 4.49Å; T807-V820 WeakPolarHBondContact O-CA 3.42Å; T807-Q821 PolarHBondContact N-O 3.26Å; T807-Q821 PolarHBondContact O-N 2.86Å
808	V	82.7	Confident	72	Confident	21 Å²	21	35 Å²	35	13%	0.127	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	119.8	170.9	170.3	0	0	0	0	109.4	I785 F811 S818 V820	I785-V808 HydrophobicContact CB-CG2 4.48Å; I785-V808 HydrophobicContact CD1-CG2 4.4Å; I785-V808 HydrophobicContact CG2-CG2 4.43Å; V808-F811 HydrophobicContact CG1-CD2 4.4Å; V808-F811 HydrophobicContact CG1-CE1 4.32Å; V808-F811 HydrophobicContact CG1-CE2 3.81Å; V808-F811 HydrophobicContact CG1-CZ 3.77Å; V808-S818 WeakPolarHBondContact CG1-OG 3.29Å; V808-V820 HydrophobicContact CG2-CG2 4.3Å
809	L	74.2	Confident	73.1	Confident	72 Å²	72	34.4 Å²	34.4	38%	0.377	19%	0.189	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.5	-47.9	-178.7	-60.1	179.9	0	0	0	111.2	Y778 T807 D819 Q821	Y778-L809 PolarHBondContact OH-O 3.2Å; T807-L809 HydrophobicContact CG2-CD2 4.49Å; L809-D819 HydrophobicContact CB-CB 4.13Å; L809-D819 HydrophobicContact CD1-CB 4.3Å; L809-D819 PolarHBondContact N-O 2.7Å; L809-Q821 HydrophobicContact CD1-CB 4.23Å; L809-Q821 HydrophobicContact CD2-CB 4.18Å; L809-Q821 HydrophobicContact CG-CB 4.22Å
810	R	74.8	Confident	74.3	Confident	48 Å²	48	34.1 Å²	34.1	18%	0.181	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-164.7	153.3	-178.6	60.6	-178.6	-177.2	163.9	-7.4	112.5	Y812 S818 D819 D893	R810-Y812 HydrophobicContact CG-CE2 4.07Å; R810-Y812 PolarHBondContact NE-OH 3.06Å; R810-Y812 PolarHBondContact NH2-OH 3.14Å; R810-S818 CarbonylContact O-C 3.58Å; R810-S818 VanDerWaalsContact O-CA 3.23Å; R810-S818 WeakPolarHBondContact O-CA 3.42Å; R810-S818 PolarHBondContact O-OG 2.91Å; R810-D819 HydrophobicContact CG-CB 4.28Å; R810-D819 IonicContact CZ-OD2 2.72Å; R810-D819 IonicContact NE-OD2 3.7Å; R810-D819 PolarHBondContact NE-OD2 3.37Å; R810-D819 VanDerWaalsContact NE-OD2 3.09Å; R810-D819 IonicContact NH2-OD2 3.61Å; R810-D819 PolarHBondContact O-N 3.24Å; R810-D893 IonicContact CZ-OD1 2.97Å; R810-D893 IonicContact CZ-OD2 2.69Å; R810-D893 IonicContact NE-OD2 3.61Å; R810-D893 PolarHBondContact NE-OD2 2.93Å; R810-D893 IonicContact NH1-OD2 3.49Å; R810-D893 IonicContact NH2-OD1 2.7Å; R810-D893 PolarHBondContact NH2-OD1 2.96Å; R810-D893 IonicContact NH2-OD2 3.55Å; R810-D893 PolarHBondContact NH2-OD2 2.98Å
811	F	78.1	Confident	75	Confident	13 Å²	13	31.8 Å²	31.8	6%	0.057	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	147.8	166.6	-65.2	-75.9	0	0	0	111.6	I757 W766 L770 Y778 T781 I785 V808 V816 K817 S818	I757-F811 HydrophobicContact CD1-CD1 4.46Å; I757-F811 HydrophobicContact CD1-CE1 3.88Å; W766-F811 HydrophobicContact CH2-CB 4.23Å; W766-F811 HydrophobicContact CZ3-CB 3.93Å; L770-F811 HydrophobicContact CB-CB 4.08Å; L770-F811 HydrophobicContact CB-CD2 4.31Å; L770-F811 HydrophobicContact CB-CG 4.27Å; L770-F811 HydrophobicContact CD2-CD2 4.08Å; L770-F811 HydrophobicContact CD2-CE2 4.21Å; L770-F811 HydrophobicContact CD2-CG 4.37Å; Y778-F811 HydrophobicContact CD1-CE2 4.23Å; Y778-F811 AromaticContact CD2-CD2 3.43Å; Y778-F811 HydrophobicContact CD2-CD2 3.43Å; Y778-F811 VanDerWaalsContact CD2-CD2 3.43Å; Y778-F811 AromaticContact CD2-CE2 3.77Å; Y778-F811 HydrophobicContact CD2-CE2 3.77Å; Y778-F811 HydrophobicContact CE1-CE2 4.3Å; Y778-F811 AromaticContact CE2-CD2 3.44Å; Y778-F811 HydrophobicContact CE2-CD2 3.44Å; Y778-F811 VanDerWaalsContact CE2-CD2 3.44Å; Y778-F811 AromaticContact CE2-CE2 3.86Å; Y778-F811 HydrophobicContact CE2-CE2 3.86Å; Y778-F811 HydrophobicContact CG-CD2 4.08Å; Y778-F811 AromaticContact CG-CE2 3.94Å; Y778-F811 HydrophobicContact CG-CE2 3.94Å; T781-F811 HydrophobicContact CG2-CE1 3.92Å; T781-F811 HydrophobicContact CG2-CZ 3.84Å; I785-F811 HydrophobicContact CD1-CE1 3.48Å; I785-F811 VanDerWaalsContact CD1-CE1 3.48Å; I785-F811 HydrophobicContact CD1-CZ 3.84Å; V808-F811 HydrophobicContact CG1-CD2 4.4Å; V808-F811 HydrophobicContact CG1-CE1 4.32Å; V808-F811 HydrophobicContact CG1-CE2 3.81Å; V808-F811 HydrophobicContact CG1-CZ 3.77Å; F811-V816 HydrophobicContact CD1-CG1 3.68Å; F811-V816 HydrophobicContact CE1-CG1 4.2Å; F811-V816 HydrophobicContact CG-CG1 4.48Å; F811-K817 CarbonylContact C-O 3.18Å; F811-K817 VanDerWaalsContact CA-O 3.28Å; F811-K817 WeakPolarHBondContact CA-O 3.32Å; F811-S818 WeakPolarHBondContact CE1-OG 3.36Å
812	Y	73.4	Confident	75.3	Confident	47 Å²	47	31.3 Å²	31.3	18%	0.184	17%	0.171	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	142.8	175.1	-55.7	-95.5	0	0	0	112	W766 R810 K817 D819	W766-Y812 WeakPolarHBondContact CZ3-O 3.28Å; R810-Y812 HydrophobicContact CG-CE2 4.07Å; R810-Y812 PolarHBondContact NE-OH 3.06Å; R810-Y812 PolarHBondContact NH2-OH 3.14Å; Y812-K817 HydrophobicContact CD2-CB 4.07Å; Y812-K817 PolarHBondContact N-O 3.25Å; Y812-K817 PolarHBondContact O-N 3.11Å; Y812-D819 WeakPolarHBondContact CE2-OD1 3.23Å; Y812-D819 VanDerWaalsContact CE2-OD2 3.23Å; Y812-D819 WeakPolarHBondContact CE2-OD2 3.48Å; Y812-D819 PolarHBondContact OH-OD2 3.38Å
813	P	62.6	Low	75.2	Confident	31 Å²	31	30.3 Å²	30.3	20%	0.201	16%	0.162	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.7	144.5	166.1	15.6	-19.3	0	0	0	112.3	W766 V908	W766-P813 VanDerWaalsContact CD2-CA 3.41Å; W766-P813 HydrophobicContact CD2-CB 3.75Å; W766-P813 VanDerWaalsContact CE3-CA 3.44Å; W766-P813 HydrophobicContact CE3-CB 4.26Å; W766-P813 HydrophobicContact CG-CB 3.93Å; W766-P813 HydrophobicContact CZ2-CB 4.12Å; W766-P813 HydrophobicContact CZ2-CG 4.29Å; P813-V908 HydrophobicContact CB-CG1 4.08Å; P813-V908 WeakPolarHBondContact CB-O 3.38Å; P813-V908 HydrophobicContact CG-CG1 3.98Å; P813-V908 WeakPolarHBondContact CG-O 3.35Å
814	G	58.4	Low	74.9	Confident	9 Å²	9	29.9 Å²	29.9	9%	0.093	16%	0.16	C	C	.	.	T	Hydrogen-bonded Turn	trans	123.5	-139.1	-169.9	0	0	0	0	0	110.2	V816	G814-V816 PolarHBondContact O-N 3.37Å
815	S	57	Low	75.1	Confident	9 Å²	9	30.2 Å²	30.2	6%	0.063	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.9	24.8	175.6	-47.7	0	0	0	0	115.9	E756 I757 Q763	E756-S815 VanDerWaalsContact CG-CB 3.48Å; E756-S815 WeakPolarHBondContact OE1-CB 3.29Å; E756-S815 PolarHBondContact OE1-OG 3.07Å; I757-S815 PolarHBondContact N-O 3.2Å; I757-S815 VanDerWaalsContact O-O 3.06Å; Q763-S815 VanDerWaalsContact CG-CB 3.43Å; Q763-S815 WeakPolarHBondContact CG-OG 3.32Å; Q763-S815 VanDerWaalsContact NE2-N 3.12Å; Q763-S815 PolarHBondContact NE2-OG 3.1Å
816	V	66.1	Low	74.6	Confident	1 Å²	1	29.5 Å²	29.5	1%	0.006	15%	0.149	C	C	.	.	T	Hydrogen-bonded Turn	trans	41.5	73.6	-160.3	-171.8	0	0	0	0	109.8	I757 T764 W766 L770 F811 G814	I757-V816 HydrophobicContact CB-CB 4.22Å; I757-V816 HydrophobicContact CB-CG1 4.44Å; I757-V816 WeakPolarHBondContact CB-O 3.3Å; I757-V816 HydrophobicContact CD1-CB 4.23Å; I757-V816 HydrophobicContact CD1-CG1 3.53Å; I757-V816 HydrophobicContact CG1-CG1 4.29Å; I757-V816 VanDerWaalsContact CG1-O 3.31Å; I757-V816 WeakPolarHBondContact CG1-O 3.44Å; I757-V816 PolarHBondContact N-O 2.96Å; I757-V816 VanDerWaalsContact N-O 3.07Å; T764-V816 HydrophobicContact CG2-CG2 3.87Å; W766-V816 HydrophobicContact CE3-CG2 4.34Å; L770-V816 HydrophobicContact CD1-CB 4.35Å; L770-V816 HydrophobicContact CD1-CG1 3.61Å; L770-V816 HydrophobicContact CD1-CG2 3.72Å; F811-V816 HydrophobicContact CD1-CG1 3.68Å; F811-V816 HydrophobicContact CE1-CG1 4.2Å; F811-V816 HydrophobicContact CG-CG1 4.48Å; G814-V816 PolarHBondContact O-N 3.37Å
817	K	74	Confident	73.5	Confident	73 Å²	73	31 Å²	31	32%	0.317	16%	0.156	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	149.1	169.7	-62.9	-179.8	179.9	-178	0	108.7	T754 V755 E756 F811 Y812 I869	T754-K817 HydrophobicContact CG2-CB 4.29Å; V755-K817 CarbonylContact O-C 3.23Å; V755-K817 VanDerWaalsContact O-CA 3.25Å; V755-K817 WeakPolarHBondContact O-CA 3.47Å; E756-K817 HydrophobicContact CB-CG 4.35Å; E756-K817 HydrophobicContact CG-CG 4.45Å; F811-K817 CarbonylContact C-O 3.18Å; F811-K817 VanDerWaalsContact CA-O 3.28Å; F811-K817 WeakPolarHBondContact CA-O 3.32Å; Y812-K817 HydrophobicContact CD2-CB 4.07Å; Y812-K817 PolarHBondContact N-O 3.25Å; Y812-K817 PolarHBondContact O-N 3.11Å; K817-I869 HydrophobicContact CD-CD1 3.91Å; K817-I869 HydrophobicContact CG-CD1 4.41Å
818	S	75	Confident	72	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	15%	0.149	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.5	136.6	178	-169.7	0	0	0	0	110.2	T754 V755 V808 R810 F811	T754-S818 CarbonylContact C-O 3.59Å; T754-S818 WeakPolarHBondContact CA-O 3.25Å; V755-S818 PolarHBondContact N-O 3.45Å; V755-S818 PolarHBondContact O-N 3.04Å; V808-S818 WeakPolarHBondContact CG1-OG 3.29Å; R810-S818 CarbonylContact O-C 3.58Å; R810-S818 VanDerWaalsContact O-CA 3.23Å; R810-S818 WeakPolarHBondContact O-CA 3.42Å; R810-S818 PolarHBondContact O-OG 2.91Å; F811-S818 WeakPolarHBondContact CE1-OG 3.36Å
819	D	74.6	Confident	70.5	Confident	4 Å²	4	34.9 Å²	34.9	2%	0.021	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.3	135.3	163.8	-63.6	-27.5	0	0	0	109	T754 L809 R810 Y812	T754-D819 PolarHBondContact OG1-OD1 3.14Å; L809-D819 HydrophobicContact CB-CB 4.13Å; L809-D819 HydrophobicContact CD1-CB 4.3Å; L809-D819 PolarHBondContact N-O 2.7Å; R810-D819 HydrophobicContact CG-CB 4.28Å; R810-D819 IonicContact CZ-OD2 2.72Å; R810-D819 IonicContact NE-OD2 3.7Å; R810-D819 PolarHBondContact NE-OD2 3.37Å; R810-D819 VanDerWaalsContact NE-OD2 3.09Å; R810-D819 IonicContact NH2-OD2 3.61Å; R810-D819 PolarHBondContact O-N 3.24Å; Y812-D819 WeakPolarHBondContact CE2-OD1 3.23Å; Y812-D819 VanDerWaalsContact CE2-OD2 3.23Å; Y812-D819 WeakPolarHBondContact CE2-OD2 3.48Å; Y812-D819 PolarHBondContact OH-OD2 3.38Å
820	V	80.6	Confident	69.4	Low	1 Å²	1	34.3 Å²	34.3	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	129.3	-177.4	-166.7	0	0	0	0	108.5	S752 M753 V755 I785 I789 C806 T807 V808 I822	S752-V820 WeakPolarHBondContact CA-O 3.27Å; M753-V820 HydrophobicContact CE-CB 4.24Å; M753-V820 HydrophobicContact CE-CG1 4.28Å; M753-V820 HydrophobicContact CG-CB 4.25Å; M753-V820 PolarHBondContact N-O 2.93Å; M753-V820 PolarHBondContact O-N 3.34Å; V755-V820 HydrophobicContact CG1-CG2 4.13Å; V755-V820 HydrophobicContact CG2-CG2 3.64Å; I785-V820 HydrophobicContact CG2-CG2 3.92Å; I789-V820 HydrophobicContact CD1-CB 4.41Å; I789-V820 HydrophobicContact CD1-CG1 3.76Å; I789-V820 HydrophobicContact CD1-CG2 4.43Å; C806-V820 VanDerWaalsContact SG-CG1 3.51Å; T807-V820 WeakPolarHBondContact O-CA 3.42Å; V808-V820 HydrophobicContact CG2-CG2 4.3Å; V820-I822 HydrophobicContact CG1-CG2 3.99Å
821	Q	79.4	Confident	68.4	Low	61 Å²	61	39.8 Å²	39.8	29%	0.285	20%	0.202	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	134	171.8	-173.5	174.4	35	0	0	108.2	E750 L751 C806 T807 L809	E750-Q821 HydrophobicContact CG-CG 4.39Å; E750-Q821 VanDerWaalsContact OE1-CD 3.28Å; E750-Q821 PolarHBondContact OE1-NE2 3.36Å; L751-Q821 CarbonylContact O-C 3.19Å; L751-Q821 WeakPolarHBondContact O-CA 3.39Å; C806-Q821 WeakPolarHBondContact CA-O 3.23Å; T807-Q821 PolarHBondContact N-O 3.26Å; T807-Q821 PolarHBondContact O-N 2.86Å; L809-Q821 HydrophobicContact CD1-CB 4.23Å; L809-Q821 HydrophobicContact CD2-CB 4.18Å; L809-Q821 HydrophobicContact CG-CB 4.22Å
822	I	83.1	Confident	67.3	Low	0 Å²	0	40.1 Å²	40.1	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	148	-179.2	62.9	173.8	0	0	0	109.8	E750 L751 M753 I789 V803 T805 C806 V820 V824 I841	E750-I822 WeakPolarHBondContact CA-O 3.39Å; L751-I822 HydrophobicContact CB-CD1 4.18Å; L751-I822 HydrophobicContact CB-CG1 3.75Å; L751-I822 HydrophobicContact CD1-CD1 4.35Å; L751-I822 PolarHBondContact N-O 3.3Å; L751-I822 PolarHBondContact O-N 2.95Å; M753-I822 HydrophobicContact CE-CD1 3.99Å; M753-I822 HydrophobicContact CE-CG2 3.88Å; I789-I822 HydrophobicContact CG2-CG2 4.16Å; V803-I822 HydrophobicContact CG1-CB 3.93Å; V803-I822 HydrophobicContact CG1-CG2 4.17Å; T805-I822 WeakPolarHBondContact O-CA 3.33Å; C806-I822 HydrophobicContact CB-CG2 4.05Å; V820-I822 HydrophobicContact CG1-CG2 3.99Å; I822-V824 HydrophobicContact CD1-CG2 3.65Å; I822-V824 HydrophobicContact CG1-CG2 4Å; I822-I841 HydrophobicContact CD1-CD1 3.26Å
823	I	79	Confident	66.9	Low	50 Å²	50	41.3 Å²	41.3	26%	0.256	22%	0.218	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	131.7	162.7	-60.9	172.1	0	0	0	106.8	I748 E750 P804 T805	I748-I823 HydrophobicContact CG2-CG2 3.37Å; E750-I823 HydrophobicContact CG-CG1 4.31Å; P804-I823 WeakPolarHBondContact CD-O 3.22Å; P804-I823 HydrophobicContact CG-CB 4.45Å; P804-I823 HydrophobicContact CG-CG2 4.28Å; T805-I823 HydrophobicContact CG2-CB 4.38Å; T805-I823 HydrophobicContact CG2-CD1 4.06Å; T805-I823 PolarHBondContact O-N 3.39Å; T805-I823 VanDerWaalsContact O-N 3.15Å; T805-I823 WeakPolarHBondContact OG1-CB 3.24Å; T805-I823 WeakPolarHBondContact OG1-CD1 3.37Å; T805-I823 WeakPolarHBondContact OG1-CG1 3.49Å; T805-I823 PolarHBondContact OG1-N 2.99Å; T805-I823 VanDerWaalsContact OG1-N 3.14Å
824	V	77.3	Confident	66.9	Low	0 Å²	0	45 Å²	45	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	125.9	-179.2	-177	0	0	0	0	108.7	I748 L749 L751 F801 T802 V803 I822 I837	I748-V824 CarbonylContact C-O 3.57Å; I748-V824 WeakPolarHBondContact CA-O 3.49Å; L749-V824 PolarHBondContact N-O 3.16Å; L749-V824 PolarHBondContact O-N 3.33Å; L751-V824 HydrophobicContact CD1-CG2 4.01Å; F801-V824 HydrophobicContact CB-CG1 3.63Å; F801-V824 HydrophobicContact CD2-CG1 3.61Å; F801-V824 HydrophobicContact CG-CG1 3.85Å; T802-V824 WeakPolarHBondContact O-CA 3.47Å; V803-V824 HydrophobicContact CG2-CG2 4.37Å; I822-V824 HydrophobicContact CD1-CG2 3.65Å; I822-V824 HydrophobicContact CG1-CG2 4Å; V824-I837 HydrophobicContact CB-CG2 4.44Å; V824-I837 HydrophobicContact CG1-CD1 4.17Å; V824-I837 HydrophobicContact CG1-CG2 3.94Å; V824-I837 HydrophobicContact CG2-CG2 4.02Å
825	E	77.4	Confident	67.1	Low	50 Å²	50	47.8 Å²	47.8	23%	0.234	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	128.4	168.4	-84.3	175.2	-136.5	0	0	108.7	K746 S747 I748 F801 T802 P804	K746-E825 IonicContact NZ-OE2 3.41Å; K746-E825 PolarHBondContact NZ-OE2 2.99Å; S747-E825 CarbonylContact O-C 3.58Å; S747-E825 VanDerWaalsContact O-CA 3.27Å; S747-E825 WeakPolarHBondContact O-CA 3.37Å; I748-E825 HydrophobicContact CG1-CG 4.05Å; F801-E825 CarbonylContact C-O 3.54Å; F801-E825 WeakPolarHBondContact CA-O 3.46Å; F801-E825 WeakPolarHBondContact CB-O 3.34Å; T802-E825 PolarHBondContact N-O 3.4Å; T802-E825 PolarHBondContact O-N 2.97Å; T802-E825 WeakPolarHBondContact OG1-CB 3.37Å; P804-E825 HydrophobicContact CG-CG 4.19Å
826	Y	70.8	Confident	67.4	Low	38 Å²	38	50 Å²	50	15%	0.149	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	161.4	178.6	67.9	-79	0	0	0	111.4	K746 S747 L749 L800 V832 I837	K746-Y826 WeakPolarHBondContact CA-O 3.23Å; S747-Y826 VanDerWaalsContact CB-CE1 3.49Å; S747-Y826 VanDerWaalsContact CB-CZ 3.43Å; S747-Y826 PolarHBondContact N-O 3.36Å; S747-Y826 PolarHBondContact O-N 3.39Å; L749-Y826 HydrophobicContact CB-CD1 4.42Å; L749-Y826 HydrophobicContact CB-CE1 3.87Å; L749-Y826 HydrophobicContact CD2-CE1 4.45Å; L800-Y826 WeakPolarHBondContact O-CA 3.45Å; Y826-V832 HydrophobicContact CD2-CG2 4.32Å; Y826-I837 HydrophobicContact CD1-CD1 4.35Å
827	I	62.3	Low	67.7	Low	51 Å²	51	50 Å²	50	26%	0.262	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	122.7	179.5	-55.5	177.2	0	0	0	109.3	L800 N829 L830	L800-I827 HydrophobicContact CB-CD1 3.91Å; L800-I827 HydrophobicContact CB-CG1 4.34Å; L800-I827 HydrophobicContact CD1-CD1 3.9Å; L800-I827 PolarHBondContact O-N 3.44Å; I827-N829 PolarHBondContact O-N 3.02Å; I827-L830 PolarHBondContact O-N 3.38Å
828	N	52.3	Low	67.5	Low	56 Å²	56	47 Å²	47	30%	0.299	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-21.4	-171.3	-99.8	-25.9	0	0	0	116.1	T745 S747 L830	T745-N828 WeakPolarHBondContact O-CB 3.42Å; T745-N828 PolarHBondContact O-N 3.35Å; T745-N828 VanDerWaalsContact O-N 3.09Å; T745-N828 PolarHBondContact OG1-ND2 2.93Å; S747-N828 WeakPolarHBondContact CB-OD1 3.42Å; S747-N828 PolarHBondContact OG-ND2 3.33Å; S747-N828 PolarHBondContact OG-OD1 3.24Å; N828-L830 PolarHBondContact O-N 3.19Å
829	N	50	Low	67.2	Low	119 Å²	119	52.2 Å²	52.2	64%	0.636	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.9	-9.8	-175.7	-63.7	2.1	0	0	0	113	I827	I827-N829 PolarHBondContact O-N 3.02Å
830	L	51.1	Low	67	Low	59 Å²	59	52.2 Å²	52.2	31%	0.309	27%	0.269	S	S	.	.	S	Bend	trans	-104.1	114.9	172.6	-58.9	167.6	0	0	0	106.4	I827 N828 V832	I827-L830 PolarHBondContact O-N 3.38Å; N828-L830 PolarHBondContact O-N 3.19Å; L830-V832 HydrophobicContact CB-CG2 3.41Å; L830-V832 VanDerWaalsContact CB-CG2 3.41Å; L830-V832 HydrophobicContact CD1-CG2 4.48Å; L830-V832 WeakPolarHBondContact O-CG2 3.19Å; L830-V832 PolarHBondContact O-N 2.67Å
831	N	53.2	Low	66.9	Low	163 Å²	163	52.1 Å²	52.1	87%	0.872	27%	0.269	S	S	*	.			trans	-67.9	71.8	168.9	-80.9	-20	0	0	0	109.4
832	V	56.1	Low	66.6	Low	20 Å²	20	51.5 Å²	51.5	12%	0.121	27%	0.266	C	S	.	.			trans	-85.3	121.8	-174.9	-164.1	0	0	0	0	109.5	V799 Y826 L830 Q836 I837	V799-V832 HydrophobicContact CG1-CB 4.39Å; V799-V832 HydrophobicContact CG1-CG1 3.96Å; V799-V832 HydrophobicContact CG1-CG2 3.67Å; V799-V832 HydrophobicContact CG2-CG1 3.93Å; V799-V832 HydrophobicContact CG2-CG2 4.42Å; Y826-V832 HydrophobicContact CD2-CG2 4.32Å; L830-V832 HydrophobicContact CB-CG2 3.41Å; L830-V832 VanDerWaalsContact CB-CG2 3.41Å; L830-V832 HydrophobicContact CD1-CG2 4.48Å; L830-V832 WeakPolarHBondContact O-CG2 3.19Å; L830-V832 PolarHBondContact O-N 2.67Å; V832-Q836 HydrophobicContact CG1-CB 3.73Å; V832-I837 HydrophobicContact CB-CG1 4.32Å; V832-I837 HydrophobicContact CG1-CD1 4.18Å; V832-I837 HydrophobicContact CG1-CG1 3.49Å; V832-I837 VanDerWaalsContact CG1-CG1 3.49Å
833	T	65.3	Low	65.8	Low	73 Å²	73	52.6 Å²	52.6	45%	0.448	27%	0.272	S	S	.	.			trans	-73.6	152.3	172.6	64.1	0	0	0	0	111.2	T835 Q836 I837	T833-T835 PolarHBondContact O-N 3.02Å; T833-T835 VanDerWaalsContact O-N 3.12Å; T833-Q836 PolarHBondContact O-N 3.36Å; T833-Q836 VanDerWaalsContact OG1-CG 3.29Å; T833-Q836 WeakPolarHBondContact OG1-CG 3.27Å; T833-Q836 PolarHBondContact OG1-N 2.95Å; T833-Q836 PolarHBondContact OG1-OE1 2.89Å; T833-I837 PolarHBondContact O-N 2.94Å
834	Q	62.6	Low	65.4	Low	109 Å²	109	50.2 Å²	50.2	51%	0.509	26%	0.259	S	S	.	.	H	α-helix	trans	-51	-38.9	173.1	-60.2	-169.1	-15	0	0	111.9	L749 L751 I837 L838	L749-Q834 HydrophobicContact CD1-CG 4.32Å; L749-Q834 HydrophobicContact CD2-CG 3.98Å; L751-Q834 HydrophobicContact CD2-CB 3.73Å; L751-Q834 HydrophobicContact CD2-CG 3.66Å; Q834-I837 PolarHBondContact O-N 2.96Å; Q834-L838 WeakPolarHBondContact O-CB 3.45Å; Q834-L838 VanDerWaalsContact O-CG 3.28Å; Q834-L838 WeakPolarHBondContact O-CG 3.41Å; Q834-L838 PolarHBondContact O-N 3.44Å
835	T	61.9	Low	65.2	Low	66 Å²	66	50.3 Å²	50.3	41%	0.405	26%	0.26	S	S	.	.	H	α-helix	trans	-62.9	-43.1	178.6	-60.2	0	0	0	0	112.6	T833 L838 Q839 M870	T833-T835 PolarHBondContact O-N 3.02Å; T833-T835 VanDerWaalsContact O-N 3.12Å; T835-L838 PolarHBondContact O-N 3.5Å; T835-Q839 HydrophobicContact CG2-CG 4.44Å; T835-Q839 WeakPolarHBondContact O-CB 3.48Å; T835-Q839 VanDerWaalsContact O-CG 3.28Å; T835-Q839 WeakPolarHBondContact O-CG 3.43Å; T835-Q839 PolarHBondContact O-N 2.99Å; T835-M870 HydrophobicContact CG2-CE 3.88Å
836	Q	64.3	Low	64.8	Low	56 Å²	56	50.9 Å²	50.9	26%	0.262	26%	0.262	S	S	.	.	H	α-helix	trans	-64.7	-41.5	177.9	-76.5	163.5	-34.1	0	0	111.6	V832 T833 Q839 A840	V832-Q836 HydrophobicContact CG1-CB 3.73Å; T833-Q836 PolarHBondContact O-N 3.36Å; T833-Q836 VanDerWaalsContact OG1-CG 3.29Å; T833-Q836 WeakPolarHBondContact OG1-CG 3.27Å; T833-Q836 PolarHBondContact OG1-N 2.95Å; T833-Q836 PolarHBondContact OG1-OE1 2.89Å; Q836-Q839 PolarHBondContact O-N 3.44Å; Q836-A840 VanDerWaalsContact O-CB 3.24Å; Q836-A840 WeakPolarHBondContact O-CB 3.44Å; Q836-A840 PolarHBondContact O-N 3.37Å
837	I	71.4	Confident	64.6	Low	0 Å²	0	51.8 Å²	51.8	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-48	175.4	-63.7	177.9	0	0	0	110.4	L749 L751 F801 V824 Y826 V832 T833 Q834 Q839 A840 I841	L749-I837 HydrophobicContact CD2-CD1 3.66Å; L751-I837 HydrophobicContact CD1-CB 4.2Å; L751-I837 HydrophobicContact CD1-CG2 3.8Å; F801-I837 HydrophobicContact CE1-CG2 4.45Å; F801-I837 HydrophobicContact CE2-CG2 4.36Å; F801-I837 HydrophobicContact CZ-CG2 4.35Å; V824-I837 HydrophobicContact CB-CG2 4.44Å; V824-I837 HydrophobicContact CG1-CD1 4.17Å; V824-I837 HydrophobicContact CG1-CG2 3.94Å; V824-I837 HydrophobicContact CG2-CG2 4.02Å; Y826-I837 HydrophobicContact CD1-CD1 4.35Å; V832-I837 HydrophobicContact CB-CG1 4.32Å; V832-I837 HydrophobicContact CG1-CD1 4.18Å; V832-I837 HydrophobicContact CG1-CG1 3.49Å; V832-I837 VanDerWaalsContact CG1-CG1 3.49Å; T833-I837 PolarHBondContact O-N 2.94Å; Q834-I837 PolarHBondContact O-N 2.96Å; I837-Q839 VanDerWaalsContact C-N 3.35Å; I837-Q839 PolarHBondContact O-N 2.71Å; I837-A840 WeakPolarHBondContact O-CB 3.46Å; I837-A840 PolarHBondContact O-N 2.87Å; I837-A840 VanDerWaalsContact O-N 3.16Å; I837-I841 HydrophobicContact CG2-CD1 4.01Å; I837-I841 HydrophobicContact CG2-CG1 4.45Å; I837-I841 WeakPolarHBondContact O-CG1 3.41Å; I837-I841 PolarHBondContact O-N 3.47Å
838	L	70.8	Confident	65.1	Low	11 Å²	11	51.9 Å²	51.9	6%	0.058	27%	0.267	C	S	.	.	H	α-helix	trans	-64.1	-38.8	-178.9	-71.1	173.6	0	0	0	112.3	L751 M753 Q834 T835 I841 Q842 L868 M870	L751-L838 HydrophobicContact CB-CD2 4.33Å; L751-L838 HydrophobicContact CD1-CD2 4Å; L751-L838 HydrophobicContact CD1-CG 4.07Å; M753-L838 HydrophobicContact CB-CD2 4.05Å; M753-L838 HydrophobicContact CG-CD2 4.35Å; M753-L838 HydrophobicContact SD-CD2 3.89Å; Q834-L838 WeakPolarHBondContact O-CB 3.45Å; Q834-L838 VanDerWaalsContact O-CG 3.28Å; Q834-L838 WeakPolarHBondContact O-CG 3.41Å; Q834-L838 PolarHBondContact O-N 3.44Å; T835-L838 PolarHBondContact O-N 3.5Å; L838-I841 PolarHBondContact O-N 3.19Å; L838-Q842 PolarHBondContact O-N 2.98Å; L838-L868 HydrophobicContact CB-CD2 3.69Å; L838-L868 HydrophobicContact CD2-CD2 3.84Å; L838-L868 HydrophobicContact CG-CD2 4.21Å; L838-M870 HydrophobicContact CB-CE 4.25Å; L838-M870 HydrophobicContact CB-SD 3.51Å; L838-M870 VanDerWaalsContact CB-SD 3.51Å; L838-M870 HydrophobicContact CD1-CE 3.87Å; L838-M870 HydrophobicContact CD1-SD 3.36Å; L838-M870 WeakPolarHBondContact CD1-SD 3.47Å; L838-M870 HydrophobicContact CG-SD 4.02Å
839	Q	68	Low	65.8	Low	110 Å²	110	50 Å²	50	51%	0.514	26%	0.257	S	S	.	.	H	α-helix	trans	-65.1	-41.5	172.2	-73.9	177	-4	0	0	112.1	T835 Q836 I837 Q842 L843	T835-Q839 HydrophobicContact CG2-CG 4.44Å; T835-Q839 WeakPolarHBondContact O-CB 3.48Å; T835-Q839 VanDerWaalsContact O-CG 3.28Å; T835-Q839 WeakPolarHBondContact O-CG 3.43Å; T835-Q839 PolarHBondContact O-N 2.99Å; Q836-Q839 PolarHBondContact O-N 3.44Å; I837-Q839 VanDerWaalsContact C-N 3.35Å; I837-Q839 PolarHBondContact O-N 2.71Å; Q839-Q842 WeakPolarHBondContact O-CB 3.29Å; Q839-Q842 PolarHBondContact O-N 3.18Å; Q839-L843 WeakPolarHBondContact O-CB 3.5Å; Q839-L843 PolarHBondContact O-N 3.44Å
840	A	70.7	Confident	66.5	Low	3 Å²	3	48.2 Å²	48.2	3%	0.025	25%	0.247	C	C	.	.	H	α-helix	trans	-65	-39.3	177.4	0	0	0	0	0	111.6	I796 F801 Q836 I837 L843 G844	I796-A840 HydrophobicContact CD1-CB 3.68Å; I796-A840 WeakPolarHBondContact CG2-O 3.3Å; F801-A840 HydrophobicContact CE1-CB 3.77Å; F801-A840 HydrophobicContact CZ-CB 4.2Å; Q836-A840 VanDerWaalsContact O-CB 3.24Å; Q836-A840 WeakPolarHBondContact O-CB 3.44Å; Q836-A840 PolarHBondContact O-N 3.37Å; I837-A840 WeakPolarHBondContact O-CB 3.46Å; I837-A840 PolarHBondContact O-N 2.87Å; I837-A840 VanDerWaalsContact O-N 3.16Å; A840-L843 PolarHBondContact O-N 3.48Å; A840-G844 PolarHBondContact O-N 3.26Å
841	I	77.4	Confident	67.2	Low	0 Å²	0	48 Å²	48	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-59.9	-47	171.2	-70.4	172.8	0	0	0	110.6	M753 I789 S792 F801 V803 I822 I837 L838 L843 S845 F866	M753-I841 HydrophobicContact CE-CG2 4.36Å; I789-I841 HydrophobicContact CG1-CG2 4.32Å; I789-I841 HydrophobicContact CG2-CD1 4.43Å; I789-I841 HydrophobicContact CG2-CG2 3.95Å; S792-I841 WeakPolarHBondContact CB-O 3.38Å; F801-I841 HydrophobicContact CE2-CD1 4.09Å; F801-I841 HydrophobicContact CE2-CG1 3.57Å; F801-I841 HydrophobicContact CZ-CD1 4.38Å; F801-I841 HydrophobicContact CZ-CG1 3.5Å; F801-I841 VanDerWaalsContact CZ-CG1 3.5Å; V803-I841 HydrophobicContact CG2-CD1 4.38Å; I822-I841 HydrophobicContact CD1-CD1 3.26Å; I837-I841 HydrophobicContact CG2-CD1 4.01Å; I837-I841 HydrophobicContact CG2-CG1 4.45Å; I837-I841 WeakPolarHBondContact O-CG1 3.41Å; I837-I841 PolarHBondContact O-N 3.47Å; L838-I841 PolarHBondContact O-N 3.19Å; I841-L843 VanDerWaalsContact C-N 3.32Å; I841-L843 PolarHBondContact O-N 3.33Å; I841-S845 WeakPolarHBondContact O-CB 3.49Å; I841-S845 PolarHBondContact O-N 3.45Å; I841-S845 PolarHBondContact O-OG 2.67Å; I841-F866 HydrophobicContact CG2-CE2 4.26Å; I841-F866 HydrophobicContact CG2-CZ 3.95Å
842	Q	74.7	Confident	67.8	Low	48 Å²	48	43.2 Å²	43.2	22%	0.224	22%	0.218	C	C	.	.	H	α-helix	trans	-57.3	-48.1	177.4	-163.9	178.1	-85.1	0	0	111.3	L838 Q839 S845 Q846 L868	L838-Q842 PolarHBondContact O-N 2.98Å; Q839-Q842 WeakPolarHBondContact O-CB 3.29Å; Q839-Q842 PolarHBondContact O-N 3.18Å; Q842-S845 PolarHBondContact O-N 2.79Å; Q842-Q846 WeakPolarHBondContact O-CG 3.35Å; Q842-Q846 PolarHBondContact O-N 2.8Å; Q842-Q846 VanDerWaalsContact O-N 3.11Å; Q842-L868 HydrophobicContact CB-CD1 3.67Å; Q842-L868 HydrophobicContact CG-CD1 4.08Å
843	L	66.4	Low	68	Low	23 Å²	23	45 Å²	45	12%	0.12	23%	0.227	C	C	.	.	H	α-helix	trans	-66.3	-50.3	-177.2	-178.9	64.7	0	0	0	111.8	V646 M658 I796 Q839 A840 I841 S845 Q846 L847	V646-L843 HydrophobicContact CB-CD1 4.43Å; V646-L843 HydrophobicContact CG1-CD1 3.93Å; V646-L843 HydrophobicContact CG2-CD1 4.02Å; M658-L843 HydrophobicContact CE-CD2 4.44Å; M658-L843 HydrophobicContact SD-CD2 4.05Å; I796-L843 HydrophobicContact CG2-CD2 4.49Å; I796-L843 HydrophobicContact CG2-CG 4.49Å; Q839-L843 WeakPolarHBondContact O-CB 3.5Å; Q839-L843 PolarHBondContact O-N 3.44Å; A840-L843 PolarHBondContact O-N 3.48Å; I841-L843 VanDerWaalsContact C-N 3.32Å; I841-L843 PolarHBondContact O-N 3.33Å; L843-S845 PolarHBondContact O-N 2.86Å; L843-Q846 WeakPolarHBondContact O-CB 3.43Å; L843-Q846 PolarHBondContact O-N 2.99Å; L843-Q846 VanDerWaalsContact O-N 3.1Å; L843-L847 HydrophobicContact CG-CD1 4.19Å; L843-L847 WeakPolarHBondContact O-CG 3.25Å; L843-L847 PolarHBondContact O-N 2.94Å
844	G	69.5	Low	67.6	Low	0 Å²	0	50.2 Å²	50.2	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-60	-35.3	178.1	0	0	0	0	0	112.3	S792 A840 L847 Y848	S792-G844 WeakPolarHBondContact O-CA 3.48Å; A840-G844 PolarHBondContact O-N 3.26Å; G844-L847 PolarHBondContact O-N 3.19Å; G844-Y848 WeakPolarHBondContact O-CB 3.31Å; G844-Y848 PolarHBondContact O-N 3.09Å
845	S	73.9	Confident	67.2	Low	2 Å²	2	50.7 Å²	50.7	1%	0.014	25%	0.249	C	C	.	.	H	α-helix	trans	-65.7	-43.3	174.5	-60.5	0	0	0	0	112	L788 S792 I841 Q842 L843 L847 Y848 V849 F866	L788-S845 WeakPolarHBondContact CD1-O 3.25Å; S792-S845 WeakPolarHBondContact CB-OG 3.09Å; I841-S845 WeakPolarHBondContact O-CB 3.49Å; I841-S845 PolarHBondContact O-N 3.45Å; I841-S845 PolarHBondContact O-OG 2.67Å; Q842-S845 PolarHBondContact O-N 2.79Å; L843-S845 PolarHBondContact O-N 2.86Å; S845-L847 VanDerWaalsContact C-N 3.35Å; S845-Y848 PolarHBondContact O-N 3.17Å; S845-V849 WeakPolarHBondContact O-CG2 3.33Å; S845-V849 PolarHBondContact O-N 3.05Å; S845-F866 WeakPolarHBondContact OG-CE1 3.35Å; S845-F866 WeakPolarHBondContact OG-CZ 3.23Å
846	Q	68.6	Low	66.3	Low	61 Å²	61	53.2 Å²	53.2	29%	0.285	26%	0.256	S	S	.	.	H	α-helix	trans	-63.3	-41.9	175.3	-71	175.3	-0.5	0	0	111.7	V646 Q842 L843 V849 M850	V646-Q846 PolarHBondContact O-OE1 3.06Å; Q842-Q846 WeakPolarHBondContact O-CG 3.35Å; Q842-Q846 PolarHBondContact O-N 2.8Å; Q842-Q846 VanDerWaalsContact O-N 3.11Å; L843-Q846 WeakPolarHBondContact O-CB 3.43Å; L843-Q846 PolarHBondContact O-N 2.99Å; L843-Q846 VanDerWaalsContact O-N 3.1Å; Q846-V849 PolarHBondContact O-N 3.02Å; Q846-M850 WeakPolarHBondContact O-CG 3.3Å; Q846-M850 PolarHBondContact O-N 3.29Å
847	L	67.1	Low	65.1	Low	58 Å²	58	57 Å²	57	30%	0.304	29%	0.289	S	S	.	.	H	α-helix	trans	-66.7	-42.6	177.8	-70.8	173.1	0	0	0	112.4	Y795 L843 G844 S845 V849 M850 D851	Y795-L847 HydrophobicContact CD1-CB 4.15Å; Y795-L847 HydrophobicContact CG-CB 4.26Å; Y795-L847 WeakPolarHBondContact O-CD1 3.2Å; L843-L847 HydrophobicContact CG-CD1 4.19Å; L843-L847 WeakPolarHBondContact O-CG 3.25Å; L843-L847 PolarHBondContact O-N 2.94Å; G844-L847 PolarHBondContact O-N 3.19Å; S845-L847 VanDerWaalsContact C-N 3.35Å; L847-V849 VanDerWaalsContact C-N 3.3Å; L847-V849 PolarHBondContact O-N 2.82Å; L847-M850 PolarHBondContact O-N 3.48Å; L847-D851 PolarHBondContact O-N 2.69Å
848	Y	71.2	Confident	63.7	Low	52 Å²	52	59.2 Å²	59.2	20%	0.204	30%	0.3	C	S	.	.	H	α-helix	trans	-55.1	-48.3	172.3	170.7	-98.1	0	0	0	110.9	L788 A791 Y795 G844 S845 M850 D851 Q852	L788-Y848 HydrophobicContact CD1-CD1 3.33Å; L788-Y848 HydrophobicContact CD1-CE1 3.99Å; L788-Y848 HydrophobicContact CD1-CG 4.18Å; A791-Y848 HydrophobicContact CB-CD1 4.45Å; A791-Y848 HydrophobicContact CB-CD2 3.54Å; A791-Y848 HydrophobicContact CB-CE2 3.64Å; A791-Y848 HydrophobicContact CB-CG 3.94Å; Y795-Y848 HydrophobicContact CD2-CD2 4.17Å; Y795-Y848 AromaticContact CE2-CD2 3.44Å; Y795-Y848 HydrophobicContact CE2-CD2 3.44Å; Y795-Y848 VanDerWaalsContact CE2-CD2 3.44Å; Y795-Y848 HydrophobicContact CE2-CE2 4.44Å; Y795-Y848 HydrophobicContact CE2-CG 4.15Å; Y795-Y848 AromaticContact CZ-CD2 3.8Å; G844-Y848 WeakPolarHBondContact O-CB 3.31Å; G844-Y848 PolarHBondContact O-N 3.09Å; S845-Y848 PolarHBondContact O-N 3.17Å; Y848-M850 VanDerWaalsContact C-N 3.33Å; Y848-M850 PolarHBondContact O-N 3.45Å; Y848-D851 PolarHBondContact O-N 3.35Å; Y848-Q852 HydrophobicContact CD1-CG 4.2Å; Y848-Q852 HydrophobicContact CD2-CG 4.29Å; Y848-Q852 HydrophobicContact CE1-CG 3.85Å; Y848-Q852 HydrophobicContact CE2-CG 3.94Å; Y848-Q852 HydrophobicContact CG-CG 4.46Å; Y848-Q852 WeakPolarHBondContact O-CG 3.38Å; Y848-Q852 PolarHBondContact O-N 2.87Å
849	V	67.4	Low	62.1	Low	16 Å²	16	63.4 Å²	63.4	10%	0.097	32%	0.323	C	S	.	.	H	α-helix	trans	-59.7	-43.5	177.8	166.9	0	0	0	0	111.8	L788 S845 Q846 L847 D851 Q852 L853 I863 L864	L788-V849 HydrophobicContact CD1-CG2 3.76Å; L788-V849 HydrophobicContact CD2-CG2 4.46Å; S845-V849 WeakPolarHBondContact O-CG2 3.33Å; S845-V849 PolarHBondContact O-N 3.05Å; Q846-V849 PolarHBondContact O-N 3.02Å; L847-V849 VanDerWaalsContact C-N 3.3Å; L847-V849 PolarHBondContact O-N 2.82Å; V849-D851 VanDerWaalsContact C-N 3.32Å; V849-D851 PolarHBondContact O-N 2.94Å; V849-Q852 PolarHBondContact O-N 3.44Å; V849-L853 HydrophobicContact CG1-CD1 4.33Å; V849-L853 WeakPolarHBondContact O-CB 3.45Å; V849-L853 WeakPolarHBondContact O-CG 3.44Å; V849-L853 PolarHBondContact O-N 3.45Å; V849-I863 HydrophobicContact CG1-CG2 3.24Å; V849-L864 VanDerWaalsContact CG2-O 3.22Å; V849-L864 WeakPolarHBondContact CG2-O 3.31Å
850	M	64.9	Low	60.5	Low	83 Å²	83	62.1 Å²	62.1	41%	0.409	33%	0.326	S	S	.	.	H	α-helix	trans	-64.2	-35.3	177.3	-72.1	-67.4	-170.3	0	0	113	P610 Q846 L847 Y848 L853 K854	P610-M850 HydrophobicContact CB-CE 3.7Å; P610-M850 HydrophobicContact CG-CE 3.86Å; Q846-M850 WeakPolarHBondContact O-CG 3.3Å; Q846-M850 PolarHBondContact O-N 3.29Å; L847-M850 PolarHBondContact O-N 3.48Å; Y848-M850 VanDerWaalsContact C-N 3.33Å; Y848-M850 PolarHBondContact O-N 3.45Å; M850-L853 WeakPolarHBondContact O-CB 3.21Å; M850-L853 PolarHBondContact O-N 3.24Å; M850-L853 HydrophobicContact SD-CD1 4.23Å; M850-K854 PolarHBondContact O-N 3.06Å
851	D	65.8	Low	59	Low	53 Å²	53	65.3 Å²	65.3	28%	0.283	35%	0.348	S	S	.	.	H	α-helix	trans	-71.5	-43.3	176.2	-176	60.3	0	0	0	112.1	Y795 L847 Y848 V849 L853 K854 N855	Y795-D851 HydrophobicContact CD1-CB 4.35Å; Y795-D851 HydrophobicContact CE1-CB 3.42Å; Y795-D851 VanDerWaalsContact CE1-CB 3.42Å; Y795-D851 PolarHBondContact OH-OD2 2.64Å; L847-D851 PolarHBondContact O-N 2.69Å; Y848-D851 PolarHBondContact O-N 3.35Å; V849-D851 VanDerWaalsContact C-N 3.32Å; V849-D851 PolarHBondContact O-N 2.94Å; D851-L853 PolarHBondContact O-N 2.71Å; D851-K854 PolarHBondContact O-N 2.72Å; D851-K854 VanDerWaalsContact O-N 3.1Å; D851-N855 PolarHBondContact O-N 3.49Å
852	Q	65.6	Low	57.4	Low	64 Å²	64	74.4 Å²	74.4	30%	0.299	38%	0.383	S	S	.	.	H	α-helix	trans	-59.1	-33.9	173	-65.8	-55.1	-52.2	0	0	111.9	Y848 V849 N855	Y848-Q852 HydrophobicContact CD1-CG 4.2Å; Y848-Q852 HydrophobicContact CD2-CG 4.29Å; Y848-Q852 HydrophobicContact CE1-CG 3.85Å; Y848-Q852 HydrophobicContact CE2-CG 3.94Å; Y848-Q852 HydrophobicContact CG-CG 4.46Å; Y848-Q852 WeakPolarHBondContact O-CG 3.38Å; Y848-Q852 PolarHBondContact O-N 2.87Å; V849-Q852 PolarHBondContact O-N 3.44Å; Q852-N855 PolarHBondContact O-N 3.01Å
853	L	60.1	Low	55.9	Low	58 Å²	58	73.4 Å²	73.4	30%	0.304	38%	0.379	S	S	.	.	H	α-helix	trans	-66.5	-37.5	174.9	-85.8	172.1	0	0	0	113.7	V849 M850 D851 N855 Q856 I863	V849-L853 HydrophobicContact CG1-CD1 4.33Å; V849-L853 WeakPolarHBondContact O-CB 3.45Å; V849-L853 WeakPolarHBondContact O-CG 3.44Å; V849-L853 PolarHBondContact O-N 3.45Å; M850-L853 WeakPolarHBondContact O-CB 3.21Å; M850-L853 PolarHBondContact O-N 3.24Å; M850-L853 HydrophobicContact SD-CD1 4.23Å; D851-L853 PolarHBondContact O-N 2.71Å; L853-N855 VanDerWaalsContact C-N 3.29Å; L853-N855 PolarHBondContact O-N 3.02Å; L853-Q856 VanDerWaalsContact O-O 3.1Å; L853-I863 HydrophobicContact CD1-CD1 4.15Å; L853-I863 HydrophobicContact CD2-CD1 3.25Å; L853-I863 HydrophobicContact CD2-CG1 4.04Å; L853-I863 HydrophobicContact CG-CD1 3.98Å
854	K	58	Low	55.3	Low	182 Å²	182	74 Å²	74	79%	0.791	38%	0.382	S	S	*	.	H	α-helix	trans	-65.5	-35.3	177.5	-80.1	-179.7	-179.7	172.8	0	112	M850 D851	M850-K854 PolarHBondContact O-N 3.06Å; D851-K854 PolarHBondContact O-N 2.72Å; D851-K854 VanDerWaalsContact O-N 3.1Å
855	N	53.1	Low	54.5	Low	118 Å²	118	75.3 Å²	75.3	63%	0.631	39%	0.391	S	S	*	.	H	α-helix	trans	-84.6	-9.2	-172.1	-76.6	-25.4	0	0	0	114.6	D851 Q852 L853	D851-N855 PolarHBondContact O-N 3.49Å; Q852-N855 PolarHBondContact O-N 3.01Å; L853-N855 VanDerWaalsContact C-N 3.29Å; L853-N855 PolarHBondContact O-N 3.02Å
856	Q	43.4	Very low	53.8	Low	119 Å²	119	75.4 Å²	75.4	56%	0.556	39%	0.391	S	S	*	.			trans	-143.8	143.4	-179.3	-71.1	-178.8	18.5	0	0	112.9	L853 I858	L853-Q856 VanDerWaalsContact O-O 3.1Å; Q856-I858 HydrophobicContact CB-CD1 3.55Å; Q856-I858 HydrophobicContact CB-CG1 3.11Å; Q856-I858 HydrophobicContact CG-CD1 4.21Å; Q856-I858 HydrophobicContact CG-CG1 4.16Å; Q856-I858 PolarHBondContact O-N 3.13Å; Q856-I858 VanDerWaalsContact OE1-CG1 3.3Å
857	S	40.1	Very low	53.4	Low	137 Å²	137	77.6 Å²	77.6	96%	0.958	40%	0.399	S	S	*	.			trans	-71.9	67.6	165.2	170	0	0	0	0	109.8
858	I	40.1	Very low	53	Low	45 Å²	45	75.3 Å²	75.3	23%	0.231	39%	0.388	C	S	.	.			trans	-91.4	131.2	-170.8	-43.6	-176.8	0	0	0	112.4	Q856 S860 R862	Q856-I858 HydrophobicContact CB-CD1 3.55Å; Q856-I858 HydrophobicContact CB-CG1 3.11Å; Q856-I858 HydrophobicContact CG-CD1 4.21Å; Q856-I858 HydrophobicContact CG-CG1 4.16Å; Q856-I858 PolarHBondContact O-N 3.13Å; Q856-I858 VanDerWaalsContact OE1-CG1 3.3Å; I858-S860 PolarHBondContact O-N 2.95Å; I858-R862 HydrophobicContact CG2-CB 4.07Å
859	D	38.1	Very low	52.1	Low	99 Å²	99	74.8 Å²	74.8	53%	0.529	39%	0.388	S	S	.	.			trans	-43.6	109.7	156.7	-177.9	-6.8	0	0	0	111.7	S861 R862	D859-S861 PolarHBondContact O-N 2.79Å; D859-S861 VanDerWaalsContact OD1-CB 3.31Å; D859-S861 WeakPolarHBondContact OD1-CB 3.45Å; D859-S861 PolarHBondContact OD1-N 3.18Å; D859-S861 PolarHBondContact OD1-OG 3.01Å; D859-S861 PolarHBondContact OD2-OG 2.91Å; D859-S861 VanDerWaalsContact OD2-OG 3.07Å; D859-R862 PolarHBondContact O-N 3Å
860	S	35.1	Very low	51.1	Low	83 Å²	83	78.2 Å²	78.2	58%	0.58	40%	0.404	S	S	*	.	G	3₁₀ helix	trans	-55.4	-16.6	-176.8	-46.5	0	0	0	0	114	I858 R862	I858-S860 PolarHBondContact O-N 2.95Å; S860-R862 PolarHBondContact O-N 3.45Å
861	S	37.6	Very low	50.2	Low	71 Å²	71	81.2 Å²	81.2	50%	0.497	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-65.9	-13.8	174.5	68.3	0	0	0	0	114.3	D859	D859-S861 PolarHBondContact O-N 2.79Å; D859-S861 VanDerWaalsContact OD1-CB 3.31Å; D859-S861 WeakPolarHBondContact OD1-CB 3.45Å; D859-S861 PolarHBondContact OD1-N 3.18Å; D859-S861 PolarHBondContact OD1-OG 3.01Å; D859-S861 PolarHBondContact OD2-OG 2.91Å; D859-S861 VanDerWaalsContact OD2-OG 3.07Å
862	R	44.4	Very low	49.3	Very low	190 Å²	190	84.5 Å²	84.5	72%	0.717	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-99.1	-13	-174.5	-66.8	-172.2	164.6	-149.9	-5.4	115.3	I858 D859 S860 L864	I858-R862 HydrophobicContact CG2-CB 4.07Å; D859-R862 PolarHBondContact O-N 3Å; S860-R862 PolarHBondContact O-N 3.45Å; R862-L864 PolarHBondContact O-N 2.81Å
863	I	44.3	Very low	48.8	Very low	28 Å²	28	84.6 Å²	84.6	14%	0.144	43%	0.429	C	S	.	.			trans	-82.3	116.7	-170.3	-58.9	159.9	0	0	0	108.7	T759 G760 V849 L853	T759-I863 CarbonylContact C-O 3.57Å; T759-I863 WeakPolarHBondContact CA-O 3.17Å; G760-I863 PolarHBondContact N-O 2.71Å; V849-I863 HydrophobicContact CG1-CG2 3.24Å; L853-I863 HydrophobicContact CD1-CD1 4.15Å; L853-I863 HydrophobicContact CD2-CD1 3.25Å; L853-I863 HydrophobicContact CD2-CG1 4.04Å; L853-I863 HydrophobicContact CG-CD1 3.98Å
864	L	52.3	Low	48.9	Very low	36 Å²	36	84 Å²	84	19%	0.188	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	114	173.5	-63.4	162.6	0	0	0	107.7	I757 L758 T759 K784 L788 V849 R862	I757-L864 HydrophobicContact CG2-CD2 3.26Å; I757-L864 HydrophobicContact CG2-CG 4.43Å; L758-L864 VanDerWaalsContact O-CA 3.28Å; L758-L864 WeakPolarHBondContact O-CA 3.17Å; T759-L864 HydrophobicContact CG2-CD2 3.88Å; K784-L864 HydrophobicContact CB-CD1 3.55Å; K784-L864 HydrophobicContact CD-CD1 3.34Å; K784-L864 HydrophobicContact CG-CD1 4.02Å; L788-L864 WeakPolarHBondContact CD2-O 3.23Å; V849-L864 VanDerWaalsContact CG2-O 3.22Å; V849-L864 WeakPolarHBondContact CG2-O 3.31Å; R862-L864 PolarHBondContact O-N 2.81Å
865	S	53.3	Low	49.6	Very low	26 Å²	26	76.3 Å²	76.3	18%	0.182	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	157.2	157.7	64.6	0	0	0	0	108	L758	L758-S865 PolarHBondContact N-O 3.19Å; L758-S865 PolarHBondContact O-N 3.32Å
866	F	59.8	Low	50.2	Low	5 Å²	5	75.8 Å²	75.8	2%	0.022	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	153.2	165.6	63	-105.1	0	0	0	112.6	V755 E756 L788 I789 I841 S845 L868	V755-F866 HydrophobicContact CB-CB 3.91Å; V755-F866 HydrophobicContact CB-CD2 4.14Å; V755-F866 HydrophobicContact CB-CG 4.01Å; V755-F866 HydrophobicContact CG1-CD2 3.86Å; V755-F866 HydrophobicContact CG1-CE2 4.24Å; V755-F866 HydrophobicContact CG1-CG 4.11Å; E756-F866 WeakPolarHBondContact O-CA 3.46Å; E756-F866 WeakPolarHBondContact O-CB 3.27Å; L788-F866 HydrophobicContact CB-CE1 4.08Å; L788-F866 HydrophobicContact CD2-CD1 3.28Å; L788-F866 HydrophobicContact CD2-CE1 3.39Å; L788-F866 HydrophobicContact CD2-CG 4.37Å; L788-F866 HydrophobicContact CG-CD1 3.95Å; L788-F866 HydrophobicContact CG-CE1 3.48Å; L788-F866 VanDerWaalsContact CG-CE1 3.48Å; L788-F866 HydrophobicContact CG-CZ 4.45Å; I789-F866 HydrophobicContact CD1-CE1 4.39Å; I789-F866 HydrophobicContact CD1-CZ 4.48Å; I789-F866 HydrophobicContact CG1-CE1 3.54Å; I789-F866 HydrophobicContact CG1-CZ 3.52Å; I841-F866 HydrophobicContact CG2-CE2 4.26Å; I841-F866 HydrophobicContact CG2-CZ 3.95Å; S845-F866 WeakPolarHBondContact OG-CE1 3.35Å; S845-F866 WeakPolarHBondContact OG-CZ 3.23Å; F866-L868 HydrophobicContact CD2-CD1 3.99Å; F866-L868 HydrophobicContact CE2-CD1 3.52Å
867	K	60.2	Low	51.1	Low	106 Å²	106	73.9 Å²	73.9	46%	0.461	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	128.4	168.1	-179.9	-177.9	177.1	-172.9	0	108.1	E756 I869	E756-K867 HydrophobicContact CB-CB 4.38Å; E756-K867 PolarHBondContact N-O 3.37Å; E756-K867 PolarHBondContact O-N 3.21Å; E756-K867 VanDerWaalsContact O-N 3.15Å; K867-I869 PolarHBondContact O-N 3.1Å
868	L	57.7	Low	52.6	Low	11 Å²	11	67.7 Å²	67.7	6%	0.058	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	131.3	168.4	-93.7	94.8	0	0	0	109.3	M753 L838 Q842 F866 M870	M753-L868 HydrophobicContact CB-CD2 3.88Å; M753-L868 HydrophobicContact CB-CG 4.42Å; M753-L868 HydrophobicContact CG-CD2 4.42Å; M753-L868 HydrophobicContact SD-CD1 4.02Å; M753-L868 HydrophobicContact SD-CD2 3.7Å; M753-L868 HydrophobicContact SD-CG 3.9Å; L838-L868 HydrophobicContact CB-CD2 3.69Å; L838-L868 HydrophobicContact CD2-CD2 3.84Å; L838-L868 HydrophobicContact CG-CD2 4.21Å; Q842-L868 HydrophobicContact CB-CD1 3.67Å; Q842-L868 HydrophobicContact CG-CD1 4.08Å; F866-L868 HydrophobicContact CD2-CD1 3.99Å; F866-L868 HydrophobicContact CE2-CD1 3.52Å; L868-M870 HydrophobicContact CB-CG 4.37Å; L868-M870 HydrophobicContact CD2-CG 4.32Å; L868-M870 HydrophobicContact CD2-SD 3.86Å
869	I	53.3	Low	54.3	Low	41 Å²	41	68.1 Å²	68.1	21%	0.21	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	87.2	164.7	-53.7	175.2	0	0	0	104.8	T754 E756 K817 K867 Q871	T754-I869 PolarHBondContact O-N 2.67Å; E756-I869 HydrophobicContact CB-CD1 4.11Å; K817-I869 HydrophobicContact CD-CD1 3.91Å; K817-I869 HydrophobicContact CG-CD1 4.41Å; K867-I869 PolarHBondContact O-N 3.1Å; I869-Q871 PolarHBondContact O-N 3.01Å
870	M	46.2	Very low	56.2	Low	88 Å²	88	68.3 Å²	68.3	43%	0.433	38%	0.381	S	S	.	.			trans	-64	-20.6	-179.9	-73.6	-81.7	-68.9	0	0	113.1	T835 L838 L868 K872	T835-M870 HydrophobicContact CG2-CE 3.88Å; L838-M870 HydrophobicContact CB-CE 4.25Å; L838-M870 HydrophobicContact CB-SD 3.51Å; L838-M870 VanDerWaalsContact CB-SD 3.51Å; L838-M870 HydrophobicContact CD1-CE 3.87Å; L838-M870 HydrophobicContact CD1-SD 3.36Å; L838-M870 WeakPolarHBondContact CD1-SD 3.47Å; L838-M870 HydrophobicContact CG-SD 4.02Å; L868-M870 HydrophobicContact CB-CG 4.37Å; L868-M870 HydrophobicContact CD2-CG 4.32Å; L868-M870 HydrophobicContact CD2-SD 3.86Å; M870-K872 PolarHBondContact O-N 2.92Å
871	Q	44.8	Very low	58.3	Low	145 Å²	145	69.3 Å²	69.3	68%	0.678	38%	0.375	S	S	*	.			trans	-77.7	99.4	176.8	-85.8	179.8	-28.7	0	0	109.3	I869 E873	I869-Q871 PolarHBondContact O-N 3.01Å; Q871-E873 PolarHBondContact O-N 2.9Å
872	K	47.3	Very low	60.5	Low	122 Å²	122	66.8 Å²	66.8	53%	0.53	36%	0.357	S	S	.	.			trans	-54.5	92	149.1	-171.9	176.7	178.4	174.6	0	106.4	M870 T874 S892	M870-K872 PolarHBondContact O-N 2.92Å; K872-T874 PolarHBondContact O-N 2.82Å; K872-T874 VanDerWaalsContact O-N 3.07Å; K872-S892 WeakPolarHBondContact CE-O 3.35Å; K872-S892 PolarHBondContact NZ-O 3.37Å
873	E	55.6	Low	62.5	Low	66 Å²	66	58.3 Å²	58.3	31%	0.308	33%	0.327	S	S	.	.			trans	-58.6	116.5	177.1	-83.2	-170.9	143.2	0	0	106.5	Q871 I878 K881 G894 A895	Q871-E873 PolarHBondContact O-N 2.9Å; E873-I878 HydrophobicContact CB-CG2 3.64Å; E873-I878 HydrophobicContact CG-CG2 3.72Å; E873-I878 WeakPolarHBondContact OE1-CG2 3.27Å; E873-I878 WeakPolarHBondContact OE2-CG2 3.47Å; E873-K881 IonicContact OE1-NZ 3.68Å; E873-K881 PolarHBondContact OE1-NZ 3.17Å; E873-G894 CarbonylContact O-C 3.57Å; E873-G894 WeakPolarHBondContact O-CA 3.36Å; E873-A895 WeakPolarHBondContact O-CA 3.42Å; E873-A895 WeakPolarHBondContact O-CB 3.26Å; E873-A895 PolarHBondContact O-N 2.69Å
874	T	62.7	Low	64.4	Low	46 Å²	46	62.7 Å²	62.7	28%	0.282	36%	0.357	S	S	.	.			trans	-89.5	164.4	174.5	54	0	0	0	0	110.1	K872 S876 T877 I878	K872-T874 PolarHBondContact O-N 2.82Å; K872-T874 VanDerWaalsContact O-N 3.07Å; T874-S876 WeakPolarHBondContact CB-OG 3.25Å; T874-S876 PolarHBondContact O-N 3.47Å; T874-S876 PolarHBondContact OG1-OG 2.92Å; T874-T877 PolarHBondContact N-OG1 2.91Å; T874-T877 PolarHBondContact O-N 2.99Å; T874-T877 PolarHBondContact O-OG1 3.45Å; T874-T877 PolarHBondContact OG1-OG1 3.44Å; T874-I878 PolarHBondContact O-N 3.25Å; T874-I878 VanDerWaalsContact O-N 3.15Å
875	C	71.3	Confident	66.2	Low	20 Å²	20	64.4 Å²	64.4	14%	0.135	36%	0.364	C	S	.	.	H	α-helix	trans	-63.4	-27.8	175.9	-82.8	0	0	0	0	112	T877 A879 C888 I889 E890 A895	C875-T877 PolarHBondContact O-N 3.5Å; C875-A879 WeakPolarHBondContact O-CB 3.24Å; C875-A879 PolarHBondContact O-N 2.99Å; C875-C888 WeakPolarHBondContact CA-SG 3.41Å; C875-C888 HydrophobicContact CB-CB 3.92Å; C875-C888 WeakPolarHBondContact CB-SG 3.28Å; C875-C888 WeakPolarHBondContact SG-CB 3.3Å; C875-C888 CovalentContact SG-SG 2.04Å; C875-C888 PolarHBondContact SG-SG 3.12Å; C875-I889 VanDerWaalsContact SG-C 3.53Å; C875-I889 PolarHBondContact SG-N 3.22Å; C875-I889 VanDerWaalsContact SG-N 3.44Å; C875-E890 HydrophobicContact CB-CG 3.62Å; C875-E890 PolarHBondContact N-OE1 3.04Å; C875-E890 VanDerWaalsContact SG-CG 3.53Å; C875-A895 HydrophobicContact CB-CB 4.44Å
876	S	67.5	Low	67.9	Low	107 Å²	107	64 Å²	64	75%	0.748	36%	0.362	S	S	*	.	H	α-helix	trans	-60.6	-27.6	171.9	48.4	0	0	0	0	114	T874	T874-S876 WeakPolarHBondContact CB-OG 3.25Å; T874-S876 PolarHBondContact O-N 3.47Å; T874-S876 PolarHBondContact OG1-OG 2.92Å
877	T	61.9	Low	69.2	Low	79 Å²	79	69 Å²	69	49%	0.485	39%	0.386	S	S	.	.	H	α-helix	trans	-93.5	-34.9	179.3	49.7	0	0	0	0	113.7	T874 C875	T874-T877 PolarHBondContact N-OG1 2.91Å; T874-T877 PolarHBondContact O-N 2.99Å; T874-T877 PolarHBondContact O-OG1 3.45Å; T874-T877 PolarHBondContact OG1-OG1 3.44Å; C875-T877 PolarHBondContact O-N 3.5Å
878	I	71	Confident	70.4	Confident	8 Å²	8	65.4 Å²	65.4	4%	0.041	37%	0.373	C	S	.	.	H	α-helix	trans	-105.6	-10.5	-175	67.9	161.4	0	0	0	115.5	E873 T874 A880 K881 C882 A895	E873-I878 HydrophobicContact CB-CG2 3.64Å; E873-I878 HydrophobicContact CG-CG2 3.72Å; E873-I878 WeakPolarHBondContact OE1-CG2 3.27Å; E873-I878 WeakPolarHBondContact OE2-CG2 3.47Å; T874-I878 PolarHBondContact O-N 3.25Å; T874-I878 VanDerWaalsContact O-N 3.15Å; I878-A880 PolarHBondContact O-N 3.11Å; I878-K881 HydrophobicContact CB-CD 4.45Å; I878-K881 HydrophobicContact CG2-CD 4.42Å; I878-K881 WeakPolarHBondContact O-CA 3.28Å; I878-K881 WeakPolarHBondContact O-CB 3.4Å; I878-K881 PolarHBondContact O-N 2.9Å; I878-C882 PolarHBondContact O-N 3.09Å; I878-A895 VanDerWaalsContact CD1-C 3.48Å; I878-A895 HydrophobicContact CD1-CB 3.63Å; I878-A895 VanDerWaalsContact CD1-O 3.27Å; I878-A895 WeakPolarHBondContact CD1-O 3.4Å; I878-A895 HydrophobicContact CG1-CB 3.89Å
879	A	76.1	Confident	71.3	Confident	54 Å²	54	68 Å²	68	45%	0.446	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-30.5	-176.7	0	0	0	0	0	113.1	C875 K881 C882 C888	C875-A879 WeakPolarHBondContact O-CB 3.24Å; C875-A879 PolarHBondContact O-N 2.99Å; A879-K881 VanDerWaalsContact C-N 3.3Å; A879-K881 PolarHBondContact O-N 2.98Å; A879-C882 WeakPolarHBondContact O-CB 3.2Å; A879-C882 PolarHBondContact O-N 3.05Å; A879-C888 HydrophobicContact CB-CB 4.47Å
880	A	78.2	Confident	72	Confident	103 Å²	103	71.2 Å²	71.2	85%	0.851	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-21.7	175.7	0	0	0	0	0	114.2	I878	I878-A880 PolarHBondContact O-N 3.11Å
881	K	78.1	Confident	72.7	Confident	103 Å²	103	72.5 Å²	72.5	45%	0.448	40%	0.4	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-27.5	174.1	-58	178	-173.2	168.4	0	112	E873 I878 A879 E913	E873-K881 IonicContact OE1-NZ 3.68Å; E873-K881 PolarHBondContact OE1-NZ 3.17Å; I878-K881 HydrophobicContact CB-CD 4.45Å; I878-K881 HydrophobicContact CG2-CD 4.42Å; I878-K881 WeakPolarHBondContact O-CA 3.28Å; I878-K881 WeakPolarHBondContact O-CB 3.4Å; I878-K881 PolarHBondContact O-N 2.9Å; A879-K881 VanDerWaalsContact C-N 3.3Å; A879-K881 PolarHBondContact O-N 2.98Å; K881-E913 HydrophobicContact CB-CG 4.41Å; K881-E913 WeakPolarHBondContact O-CG 3.36Å
882	C	83.9	Confident	72.8	Confident	18 Å²	18	70.7 Å²	70.7	12%	0.122	40%	0.404	C	S	.	.	S	Bend	trans	-59.6	144.4	179	-58.9	0	0	0	0	111.4	I878 A879 A886 C897	I878-C882 PolarHBondContact O-N 3.09Å; A879-C882 WeakPolarHBondContact O-CB 3.2Å; A879-C882 PolarHBondContact O-N 3.05Å; C882-A886 HydrophobicContact CB-CB 4.36Å; C882-C897 WeakPolarHBondContact CA-SG 3.46Å; C882-C897 HydrophobicContact CB-CB 3.68Å; C882-C897 WeakPolarHBondContact CB-SG 3.11Å; C882-C897 WeakPolarHBondContact SG-CB 3.44Å; C882-C897 CovalentContact SG-SG 2.02Å; C882-C897 PolarHBondContact SG-SG 3.02Å
883	S	86.5	Confident	72.6	Confident	13 Å²	13	66.1 Å²	66.1	9%	0.091	39%	0.385	C	S	.	.			trans	-57.1	146.9	171.4	-174	0	0	0	0	110.2	H885 A886 G912 E913 C915	S883-H885 PolarHBondContact O-N 2.99Å; S883-H885 PolarHBondContact OG-N 3.19Å; S883-A886 PolarHBondContact O-N 2.93Å; S883-G912 WeakPolarHBondContact CB-O 3.43Å; S883-G912 PolarHBondContact N-O 2.72Å; S883-E913 WeakPolarHBondContact CB-O 3.26Å; S883-C915 PolarHBondContact OG-N 3.42Å
884	P	85.1	Confident	72.9	Confident	120 Å²	120	63.4 Å²	63.4	78%	0.779	38%	0.375	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	-15.9	168.5	-23.8	33.3	0	0	0	113.7
885	H	89.9	Confident	73.1	Confident	72 Å²	72	62 Å²	62	33%	0.333	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	-109.9	24.7	176	-52.6	-60.5	0	0	0	112.6	S883 N900 W903 C915	S883-H885 PolarHBondContact O-N 2.99Å; S883-H885 PolarHBondContact OG-N 3.19Å; H885-N900 WeakPolarHBondContact O-CB 3.45Å; H885-N900 VanDerWaalsContact O-CG 3.26Å; H885-N900 PolarHBondContact O-N 3.19Å; H885-N900 PolarHBondContact O-ND2 3.19Å; H885-W903 HydrophobicContact CB-CD2 3.42Å; H885-W903 VanDerWaalsContact CB-CD2 3.42Å; H885-W903 HydrophobicContact CB-CE3 3.51Å; H885-W903 HydrophobicContact CB-CG 3.92Å; H885-W903 HydrophobicContact CB-CH2 4.16Å; H885-W903 HydrophobicContact CB-CZ2 4.03Å; H885-W903 HydrophobicContact CB-CZ3 3.9Å; H885-W903 AromaticContact CD2-CE3 3.66Å; H885-W903 AromaticContact CD2-CH2 3.12Å; H885-W903 WeakPolarHBondContact CD2-CH2 3.27Å; H885-W903 AromaticContact CD2-CZ2 3.71Å; H885-W903 AromaticContact CD2-CZ3 3.07Å; H885-W903 WeakPolarHBondContact CD2-CZ3 3.17Å; H885-W903 AromaticContact CE1-CH2 3.49Å; H885-W903 VanDerWaalsContact CE1-CH2 3.49Å; H885-W903 WeakPolarHBondContact CE1-CH2 3.36Å; H885-W903 AromaticContact CE1-CZ2 3.59Å; H885-W903 AromaticContact CG-CD2 3.76Å; H885-W903 AromaticContact CG-CE2 3.6Å; H885-W903 AromaticContact CG-CE3 3.63Å; H885-W903 AromaticContact CG-CH2 3.36Å; H885-W903 AromaticContact CG-CZ2 3.43Å; H885-W903 VanDerWaalsContact CG-CZ2 3.43Å; H885-W903 AromaticContact CG-CZ3 3.46Å; H885-W903 VanDerWaalsContact CG-CZ3 3.46Å; H885-W903 AromaticContact ND1-CE2 3.78Å; H885-W903 AromaticContact ND1-CH2 3.6Å; H885-W903 AromaticContact ND1-CZ2 3.36Å; H885-W903 WeakPolarHBondContact ND1-CZ2 3.36Å; H885-W903 AromaticContact NE2-CH2 3.2Å; H885-W903 WeakPolarHBondContact NE2-CH2 3.42Å; H885-W903 AromaticContact NE2-CZ2 3.8Å; H885-W903 AromaticContact NE2-CZ3 3.65Å; H885-C915 HydrophobicContact CB-CB 3.97Å
886	A	88	Confident	73.3	Confident	16 Å²	16	62.8 Å²	62.8	13%	0.132	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	158.1	169.6	0	0	0	0	0	111.1	C882 S883 C897 I898 G912	C882-A886 HydrophobicContact CB-CB 4.36Å; S883-A886 PolarHBondContact O-N 2.93Å; A886-C897 HydrophobicContact CB-CB 4.26Å; A886-I898 CarbonylContact C-O 3.59Å; A886-I898 WeakPolarHBondContact CA-O 3.27Å; A886-I898 WeakPolarHBondContact CB-O 3.47Å; A886-G912 WeakPolarHBondContact CB-O 3.4Å
887	Q	87.6	Confident	74	Confident	112 Å²	112	57.9 Å²	57.9	52%	0.523	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	132.8	170.3	-174.6	175.1	-3.3	0	0	108.9	I889 C897 I898 N900	Q887-I889 HydrophobicContact CG-CG1 4.42Å; Q887-C897 CarbonylContact O-C 3.49Å; Q887-C897 WeakPolarHBondContact O-CA 3.36Å; Q887-I898 PolarHBondContact N-O 3.06Å; Q887-I898 PolarHBondContact O-N 3.45Å; Q887-N900 PolarHBondContact N-OD1 3.35Å
888	C	85.1	Confident	75	Confident	29 Å²	29	58.1 Å²	58.1	20%	0.196	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	131.1	168.1	-169.7	0	0	0	0	109.4	C875 A879 I896	C875-C888 WeakPolarHBondContact CA-SG 3.41Å; C875-C888 HydrophobicContact CB-CB 3.92Å; C875-C888 WeakPolarHBondContact CB-SG 3.28Å; C875-C888 WeakPolarHBondContact SG-CB 3.3Å; C875-C888 CovalentContact SG-SG 2.04Å; C875-C888 PolarHBondContact SG-SG 3.12Å; A879-C888 HydrophobicContact CB-CB 4.47Å; C888-I896 CarbonylContact C-O 3.44Å; C888-I896 WeakPolarHBondContact CA-O 3.47Å
889	I	76.4	Confident	75.6	Confident	67 Å²	67	58.9 Å²	58.9	34%	0.344	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	122.2	177.2	-54.6	-173.5	0	0	0	108.3	C875 Q887 A895 I896 I898	C875-I889 VanDerWaalsContact SG-C 3.53Å; C875-I889 PolarHBondContact SG-N 3.22Å; C875-I889 VanDerWaalsContact SG-N 3.44Å; Q887-I889 HydrophobicContact CG-CG1 4.42Å; I889-A895 WeakPolarHBondContact O-CA 3.44Å; I889-I896 HydrophobicContact CB-CG2 4.37Å; I889-I896 PolarHBondContact N-O 2.77Å; I889-I896 PolarHBondContact O-N 3.49Å; I889-I898 HydrophobicContact CD1-CD1 3.6Å; I889-I898 HydrophobicContact CD1-CG1 4.18Å; I889-I898 HydrophobicContact CG1-CD1 4.43Å
890	E	70	Confident	76	Confident	107 Å²	107	58.6 Å²	58.6	50%	0.5	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	139	168.6	-64.8	-164.9	158.4	0	0	110.2	C875	C875-E890 HydrophobicContact CB-CG 3.62Å; C875-E890 PolarHBondContact N-OE1 3.04Å; C875-E890 VanDerWaalsContact SG-CG 3.53Å
891	R	59.1	Low	76	Confident	115 Å²	115	59.3 Å²	59.3	43%	0.434	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	161.6	178.2	-61.6	177.4	57.3	126.5	3.8	108.6	D893 G894	R891-D893 WeakPolarHBondContact CB-OD1 3.42Å; R891-D893 IonicContact NE-OD1 3.46Å; R891-D893 PolarHBondContact NE-OD1 3.27Å; R891-D893 VanDerWaalsContact NE-OD1 3.15Å; R891-D893 IonicContact NE-OD2 3.94Å; R891-D893 IonicContact NH2-OD2 3.87Å; R891-D893 PolarHBondContact O-N 3.35Å; R891-G894 CarbonylContact C-O 3.4Å; R891-G894 WeakPolarHBondContact CA-O 3.29Å; R891-G894 WeakPolarHBondContact CB-O 3.49Å; R891-G894 PolarHBondContact N-O 2.9Å; R891-G894 PolarHBondContact O-N 2.97Å; R891-G894 VanDerWaalsContact O-N 3.16Å
892	S	47.4	Very low	75.9	Confident	108 Å²	108	59.5 Å²	59.5	76%	0.755	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	-23.1	174.5	50.6	0	0	0	0	113.1	K872	K872-S892 WeakPolarHBondContact CE-O 3.35Å; K872-S892 PolarHBondContact NZ-O 3.37Å
893	D	44.4	Very low	75.9	Confident	26 Å²	26	62.2 Å²	62.2	14%	0.139	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	8.4	-176.6	55.9	5.5	0	0	0	114.5	R810 R891	R810-D893 IonicContact CZ-OD1 2.97Å; R810-D893 IonicContact CZ-OD2 2.69Å; R810-D893 IonicContact NE-OD2 3.61Å; R810-D893 PolarHBondContact NE-OD2 2.93Å; R810-D893 IonicContact NH1-OD2 3.49Å; R810-D893 IonicContact NH2-OD1 2.7Å; R810-D893 PolarHBondContact NH2-OD1 2.96Å; R810-D893 IonicContact NH2-OD2 3.55Å; R810-D893 PolarHBondContact NH2-OD2 2.98Å; R891-D893 WeakPolarHBondContact CB-OD1 3.42Å; R891-D893 IonicContact NE-OD1 3.46Å; R891-D893 PolarHBondContact NE-OD1 3.27Å; R891-D893 VanDerWaalsContact NE-OD1 3.15Å; R891-D893 IonicContact NE-OD2 3.94Å; R891-D893 IonicContact NH2-OD2 3.87Å; R891-D893 PolarHBondContact O-N 3.35Å
894	G	61.6	Low	75.4	Confident	8 Å²	8	65.3 Å²	65.3	8%	0.082	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	134.7	-159.9	-179.6	0	0	0	0	0	112.5	E873 R891	E873-G894 CarbonylContact O-C 3.57Å; E873-G894 WeakPolarHBondContact O-CA 3.36Å; R891-G894 CarbonylContact C-O 3.4Å; R891-G894 WeakPolarHBondContact CA-O 3.29Å; R891-G894 WeakPolarHBondContact CB-O 3.49Å; R891-G894 PolarHBondContact N-O 2.9Å; R891-G894 PolarHBondContact O-N 2.97Å; R891-G894 VanDerWaalsContact O-N 3.16Å
895	A	66.1	Low	75.1	Confident	17 Å²	17	61.8 Å²	61.8	14%	0.14	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	146.6	-179.2	0	0	0	0	0	110.1	E873 C875 I878 I889	E873-A895 WeakPolarHBondContact O-CA 3.42Å; E873-A895 WeakPolarHBondContact O-CB 3.26Å; E873-A895 PolarHBondContact O-N 2.69Å; C875-A895 HydrophobicContact CB-CB 4.44Å; I878-A895 VanDerWaalsContact CD1-C 3.48Å; I878-A895 HydrophobicContact CD1-CB 3.63Å; I878-A895 VanDerWaalsContact CD1-O 3.27Å; I878-A895 WeakPolarHBondContact CD1-O 3.4Å; I878-A895 HydrophobicContact CG1-CB 3.89Å; I889-A895 WeakPolarHBondContact O-CA 3.44Å
896	I	76.1	Confident	74.5	Confident	36 Å²	36	63.1 Å²	63.1	19%	0.185	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	142	179.8	-170.1	167.9	0	0	0	110.6	C888 I889 I898 P911	C888-I896 CarbonylContact C-O 3.44Å; C888-I896 WeakPolarHBondContact CA-O 3.47Å; I889-I896 HydrophobicContact CB-CG2 4.37Å; I889-I896 PolarHBondContact N-O 2.77Å; I889-I896 PolarHBondContact O-N 3.49Å; I896-I898 HydrophobicContact CG2-CD1 4.3Å; I896-I898 HydrophobicContact CG2-CG1 4.14Å; I896-P911 HydrophobicContact CD1-CB 4.25Å; I896-P911 HydrophobicContact CD1-CG 4.44Å; I896-P911 HydrophobicContact CG1-CB 4.35Å
897	C	81.1	Confident	73.5	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.034	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	132.8	168.1	-45.9	0	0	0	0	109.4	C882 A886 Q887 P911 G912	C882-C897 WeakPolarHBondContact CA-SG 3.46Å; C882-C897 HydrophobicContact CB-CB 3.68Å; C882-C897 WeakPolarHBondContact CB-SG 3.11Å; C882-C897 WeakPolarHBondContact SG-CB 3.44Å; C882-C897 CovalentContact SG-SG 2.02Å; C882-C897 PolarHBondContact SG-SG 3.02Å; A886-C897 HydrophobicContact CB-CB 4.26Å; Q887-C897 CarbonylContact O-C 3.49Å; Q887-C897 WeakPolarHBondContact O-CA 3.36Å; C897-P911 WeakPolarHBondContact CB-O 3.33Å; C897-P911 CarbonylContact O-C 3.6Å; C897-P911 VanDerWaalsContact O-C 3.23Å; C897-P911 VanDerWaalsContact O-O 3.1Å; C897-G912 WeakPolarHBondContact O-CA 3.31Å; C897-G912 PolarHBondContact O-N 3.28Å
898	I	83.1	Confident	72.2	Confident	84 Å²	84	63.4 Å²	63.4	43%	0.431	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.4	175.9	-56.3	-169	0	0	0	108.6	A886 Q887 I889 I896 N900	A886-I898 CarbonylContact C-O 3.59Å; A886-I898 WeakPolarHBondContact CA-O 3.27Å; A886-I898 WeakPolarHBondContact CB-O 3.47Å; Q887-I898 PolarHBondContact N-O 3.06Å; Q887-I898 PolarHBondContact O-N 3.45Å; I889-I898 HydrophobicContact CD1-CD1 3.6Å; I889-I898 HydrophobicContact CD1-CG1 4.18Å; I889-I898 HydrophobicContact CG1-CD1 4.43Å; I896-I898 HydrophobicContact CG2-CD1 4.3Å; I896-I898 HydrophobicContact CG2-CG1 4.14Å; I898-N900 PolarHBondContact O-N 3.13Å
899	C	83.4	Confident	70.7	Confident	23 Å²	23	67.3 Å²	67.3	16%	0.155	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-57.3	136.9	175.8	-67	0	0	0	0	111.9	W903 C915	C899-W903 HydrophobicContact CB-CB 4.03Å; C899-C915 WeakPolarHBondContact CA-SG 3.35Å; C899-C915 HydrophobicContact CB-CB 3.87Å; C899-C915 WeakPolarHBondContact CB-SG 3.43Å; C899-C915 VanDerWaalsContact SG-CA 3.54Å; C899-C915 WeakPolarHBondContact SG-CB 3.29Å; C899-C915 CovalentContact SG-SG 2.03Å; C899-C915 PolarHBondContact SG-SG 2.86Å
900	N	83.8	Confident	70.2	Confident	49 Å²	49	68.4 Å²	68.4	26%	0.262	37%	0.365	S	S	.	.	P	Polyproline II helix	trans	-60.5	156.7	177.4	-68.6	-19	0	0	0	110.8	H885 Q887 I898 M902 W903	H885-N900 WeakPolarHBondContact O-CB 3.45Å; H885-N900 VanDerWaalsContact O-CG 3.26Å; H885-N900 PolarHBondContact O-N 3.19Å; H885-N900 PolarHBondContact O-ND2 3.19Å; Q887-N900 PolarHBondContact N-OD1 3.35Å; I898-N900 PolarHBondContact O-N 3.13Å; N900-M902 PolarHBondContact O-N 2.81Å; N900-W903 WeakPolarHBondContact O-CB 3.31Å; N900-W903 PolarHBondContact O-N 2.83Å
901	P	78.3	Confident	70.3	Confident	118 Å²	118	65.5 Å²	65.5	77%	0.766	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-50	138.6	171.6	-25.5	33.7	0	0	0	111.4	W903	P901-W903 VanDerWaalsContact C-N 3.3Å
902	M	76.1	Confident	71.2	Confident	107 Å²	107	60 Å²	60	53%	0.527	33%	0.334	S	S	.	.	T	Hydrogen-bonded Turn	trans	77.6	1.9	-172.9	-50.6	-76.9	-74.5	0	0	115.9	N900 T918 F919	N900-M902 PolarHBondContact O-N 2.81Å; M902-T918 PolarHBondContact O-N 2.93Å; M902-T918 PolarHBondContact O-OG1 2.91Å; M902-F919 HydrophobicContact CE-CD2 4.14Å; M902-F919 HydrophobicContact CE-CE2 3.2Å; M902-F919 HydrophobicContact CE-CZ 3.6Å
903	W	83.7	Confident	72.8	Confident	74 Å²	74	57.7 Å²	57.7	28%	0.28	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	141.7	174.3	-59.4	77.4	0	0	0	110.6	H885 C899 N900 P901 C915 I916 S917	H885-W903 HydrophobicContact CB-CD2 3.42Å; H885-W903 VanDerWaalsContact CB-CD2 3.42Å; H885-W903 HydrophobicContact CB-CE3 3.51Å; H885-W903 HydrophobicContact CB-CG 3.92Å; H885-W903 HydrophobicContact CB-CH2 4.16Å; H885-W903 HydrophobicContact CB-CZ2 4.03Å; H885-W903 HydrophobicContact CB-CZ3 3.9Å; H885-W903 AromaticContact CD2-CE3 3.66Å; H885-W903 AromaticContact CD2-CH2 3.12Å; H885-W903 WeakPolarHBondContact CD2-CH2 3.27Å; H885-W903 AromaticContact CD2-CZ2 3.71Å; H885-W903 AromaticContact CD2-CZ3 3.07Å; H885-W903 WeakPolarHBondContact CD2-CZ3 3.17Å; H885-W903 AromaticContact CE1-CH2 3.49Å; H885-W903 VanDerWaalsContact CE1-CH2 3.49Å; H885-W903 WeakPolarHBondContact CE1-CH2 3.36Å; H885-W903 AromaticContact CE1-CZ2 3.59Å; H885-W903 AromaticContact CG-CD2 3.76Å; H885-W903 AromaticContact CG-CE2 3.6Å; H885-W903 AromaticContact CG-CE3 3.63Å; H885-W903 AromaticContact CG-CH2 3.36Å; H885-W903 AromaticContact CG-CZ2 3.43Å; H885-W903 VanDerWaalsContact CG-CZ2 3.43Å; H885-W903 AromaticContact CG-CZ3 3.46Å; H885-W903 VanDerWaalsContact CG-CZ3 3.46Å; H885-W903 AromaticContact ND1-CE2 3.78Å; H885-W903 AromaticContact ND1-CH2 3.6Å; H885-W903 AromaticContact ND1-CZ2 3.36Å; H885-W903 WeakPolarHBondContact ND1-CZ2 3.36Å; H885-W903 AromaticContact NE2-CH2 3.2Å; H885-W903 WeakPolarHBondContact NE2-CH2 3.42Å; H885-W903 AromaticContact NE2-CZ2 3.8Å; H885-W903 AromaticContact NE2-CZ3 3.65Å; C899-W903 HydrophobicContact CB-CB 4.03Å; N900-W903 WeakPolarHBondContact O-CB 3.31Å; N900-W903 PolarHBondContact O-N 2.83Å; P901-W903 VanDerWaalsContact C-N 3.3Å; W903-C915 HydrophobicContact CB-CB 3.99Å; W903-C915 HydrophobicContact CE3-CB 4.16Å; W903-I916 CarbonylContact C-O 3.2Å; W903-I916 VanDerWaalsContact CA-O 3.25Å; W903-I916 WeakPolarHBondContact CA-O 3.36Å; W903-I916 VanDerWaalsContact CE3-CA 3.48Å; W903-S917 VanDerWaalsContact CZ3-N 3.35Å
904	V	77.9	Confident	74.7	Confident	79 Å²	79	61.3 Å²	61.3	48%	0.479	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	136.8	176.4	174	0	0	0	0	108.1	I916 T918	V904-I916 PolarHBondContact N-O 3.42Å; V904-I916 PolarHBondContact O-N 2.65Å; V904-T918 HydrophobicContact CG2-CG2 3.51Å
905	D	78.5	Confident	75.8	Confident	46 Å²	46	61.4 Å²	61.4	25%	0.246	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	126.2	175.1	-158.9	-27.6	0	0	0	110.8	N907 P911 G912	D905-N907 PolarHBondContact OD1-N 3.04Å; D905-P911 WeakPolarHBondContact OD2-CA 3.4Å; D905-G912 PolarHBondContact OD2-N 2.81Å
906	L	76.4	Confident	76.6	Confident	100 Å²	100	63.1 Å²	63.1	52%	0.524	33%	0.333	S	S	.	.	S	Bend	trans	-82.7	-27.1	174.4	-82.5	174.9	0	0	0	112.7	Q914 I916	L906-Q914 HydrophobicContact CB-CB 4.09Å; L906-Q914 PolarHBondContact N-O 2.7Å; L906-I916 HydrophobicContact CD1-CB 4.41Å; L906-I916 HydrophobicContact CD1-CD1 4.1Å; L906-I916 HydrophobicContact CD1-CG1 4.23Å; L906-I916 HydrophobicContact CD1-CG2 3.39Å; L906-I916 HydrophobicContact CD2-CD1 3.69Å; L906-I916 HydrophobicContact CD2-CG1 4.27Å; L906-I916 HydrophobicContact CG-CD1 3.86Å; L906-I916 HydrophobicContact CG-CG1 3.92Å; L906-I916 HydrophobicContact CG-CG2 4Å
907	N	66.5	Low	76.6	Confident	38 Å²	38	62.6 Å²	62.6	20%	0.203	33%	0.333	C	S	.	.			trans	-122.3	93.1	-170.9	-170	1.7	0	0	0	111.4	D905 Q909 Q910	D905-N907 PolarHBondContact OD1-N 3.04Å; N907-Q909 PolarHBondContact O-N 3.11Å; N907-Q909 VanDerWaalsContact O-N 3.08Å; N907-Q909 WeakPolarHBondContact OD1-CB 3.43Å; N907-Q909 PolarHBondContact OD1-N 3.12Å; N907-Q909 VanDerWaalsContact OD1-N 3.11Å; N907-Q910 PolarHBondContact ND2-OE1 2.95Å; N907-Q910 CarbonylContact O-C 3.59Å; N907-Q910 PolarHBondContact O-N 3.25Å
908	V	61.2	Low	75.7	Confident	95 Å²	95	64.9 Å²	64.9	58%	0.576	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-24.5	177.8	-170.4	0	0	0	0	112.5	P813 Q910	P813-V908 HydrophobicContact CB-CG1 4.08Å; P813-V908 WeakPolarHBondContact CB-O 3.38Å; P813-V908 HydrophobicContact CG-CG1 3.98Å; P813-V908 WeakPolarHBondContact CG-O 3.35Å; V908-Q910 VanDerWaalsContact C-N 3.35Å
909	Q	53.1	Low	74.5	Confident	111 Å²	111	67.6 Å²	67.6	52%	0.519	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.7	-19.9	177.9	-62.1	-171	-1.3	0	0	113.6	N907	N907-Q909 PolarHBondContact O-N 3.11Å; N907-Q909 VanDerWaalsContact O-N 3.08Å; N907-Q909 WeakPolarHBondContact OD1-CB 3.43Å; N907-Q909 PolarHBondContact OD1-N 3.12Å; N907-Q909 VanDerWaalsContact OD1-N 3.11Å
910	Q	66.9	Low	72.8	Confident	90 Å²	90	70.8 Å²	70.8	42%	0.421	38%	0.378	S	S	.	.	S	Bend	trans	-135.8	75.2	178.9	-72.2	175	-30.8	0	0	108.5	N907 V908 G912 E913	N907-Q910 PolarHBondContact ND2-OE1 2.95Å; N907-Q910 CarbonylContact O-C 3.59Å; N907-Q910 PolarHBondContact O-N 3.25Å; V908-Q910 VanDerWaalsContact C-N 3.35Å; Q910-G912 PolarHBondContact O-N 3.05Å; Q910-E913 HydrophobicContact CB-CB 4.24Å; Q910-E913 HydrophobicContact CB-CG 4.04Å; Q910-E913 PolarHBondContact O-N 3.02Å; Q910-E913 PolarHBondContact OE1-OE2 2.94Å
911	P	72.1	Confident	70.8	Confident	46 Å²	46	78.2 Å²	78.2	30%	0.299	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	135.2	-172.3	-25	33.9	0	0	0	111.6	I896 C897 D905 E913	I896-P911 HydrophobicContact CD1-CB 4.25Å; I896-P911 HydrophobicContact CD1-CG 4.44Å; I896-P911 HydrophobicContact CG1-CB 4.35Å; C897-P911 WeakPolarHBondContact CB-O 3.33Å; C897-P911 CarbonylContact O-C 3.6Å; C897-P911 VanDerWaalsContact O-C 3.23Å; C897-P911 VanDerWaalsContact O-O 3.1Å; D905-P911 WeakPolarHBondContact OD2-CA 3.4Å; P911-E913 PolarHBondContact O-N 2.92Å; P911-E913 VanDerWaalsContact O-N 3.16Å
912	G	77.3	Confident	68.7	Low	0 Å²	0	77.5 Å²	77.5	0%	0	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.8	-2.9	175.3	0	0	0	0	0	116	S883 A886 C897 D905 Q910 Q914	S883-G912 WeakPolarHBondContact CB-O 3.43Å; S883-G912 PolarHBondContact N-O 2.72Å; A886-G912 WeakPolarHBondContact CB-O 3.4Å; C897-G912 WeakPolarHBondContact O-CA 3.31Å; C897-G912 PolarHBondContact O-N 3.28Å; D905-G912 PolarHBondContact OD2-N 2.81Å; Q910-G912 PolarHBondContact O-N 3.05Å; G912-Q914 VanDerWaalsContact C-N 3.33Å
913	E	81.6	Confident	66.7	Low	60 Å²	60	79.2 Å²	79.2	28%	0.28	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-26.8	174.8	-64.4	-167.1	-169.1	0	0	111.8	K881 S883 Q910 P911	K881-E913 HydrophobicContact CB-CG 4.41Å; K881-E913 WeakPolarHBondContact O-CG 3.36Å; S883-E913 WeakPolarHBondContact CB-O 3.26Å; Q910-E913 HydrophobicContact CB-CB 4.24Å; Q910-E913 HydrophobicContact CB-CG 4.04Å; Q910-E913 PolarHBondContact O-N 3.02Å; Q910-E913 PolarHBondContact OE1-OE2 2.94Å; P911-E913 PolarHBondContact O-N 2.92Å; P911-E913 VanDerWaalsContact O-N 3.16Å
914	Q	83.5	Confident	64.3	Low	102 Å²	102	79.9 Å²	79.9	48%	0.477	42%	0.421	S	S	.	.	S	Bend	trans	-131.1	88.1	-179.9	-67.1	-173	-12.1	0	0	112.6	L906 G912	L906-Q914 HydrophobicContact CB-CB 4.09Å; L906-Q914 PolarHBondContact N-O 2.7Å; G912-Q914 VanDerWaalsContact C-N 3.33Å
915	C	84.9	Confident	62.3	Low	9 Å²	9	81.1 Å²	81.1	6%	0.061	43%	0.433	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	129.5	177.3	-58.1	0	0	0	0	111.3	S883 H885 C899 W903	S883-C915 PolarHBondContact OG-N 3.42Å; H885-C915 HydrophobicContact CB-CB 3.97Å; C899-C915 WeakPolarHBondContact CA-SG 3.35Å; C899-C915 HydrophobicContact CB-CB 3.87Å; C899-C915 WeakPolarHBondContact CB-SG 3.43Å; C899-C915 VanDerWaalsContact SG-CA 3.54Å; C899-C915 WeakPolarHBondContact SG-CB 3.29Å; C899-C915 CovalentContact SG-SG 2.03Å; C899-C915 PolarHBondContact SG-SG 2.86Å; W903-C915 HydrophobicContact CB-CB 3.99Å; W903-C915 HydrophobicContact CE3-CB 4.16Å
916	I	83.5	Confident	60.2	Low	53 Å²	53	84.2 Å²	84.2	27%	0.272	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.2	172.2	62.5	166.5	0	0	0	112.4	W903 V904 L906	W903-I916 CarbonylContact C-O 3.2Å; W903-I916 VanDerWaalsContact CA-O 3.25Å; W903-I916 WeakPolarHBondContact CA-O 3.36Å; W903-I916 VanDerWaalsContact CE3-CA 3.48Å; V904-I916 PolarHBondContact N-O 3.42Å; V904-I916 PolarHBondContact O-N 2.65Å; L906-I916 HydrophobicContact CD1-CB 4.41Å; L906-I916 HydrophobicContact CD1-CD1 4.1Å; L906-I916 HydrophobicContact CD1-CG1 4.23Å; L906-I916 HydrophobicContact CD1-CG2 3.39Å; L906-I916 HydrophobicContact CD2-CD1 3.69Å; L906-I916 HydrophobicContact CD2-CG1 4.27Å; L906-I916 HydrophobicContact CG-CD1 3.86Å; L906-I916 HydrophobicContact CG-CG1 3.92Å; L906-I916 HydrophobicContact CG-CG2 4Å
917	S	75	Confident	58.1	Low	26 Å²	26	83 Å²	83	18%	0.182	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	133.5	179.4	-178	0	0	0	0	111.2	W903 F919 S920	W903-S917 VanDerWaalsContact CZ3-N 3.35Å; S917-F919 PolarHBondContact O-N 3.09Å; S917-F919 VanDerWaalsContact O-N 3.14Å; S917-F919 PolarHBondContact OG-N 3.21Å; S917-S920 PolarHBondContact O-N 2.98Å; S917-S920 VanDerWaalsContact O-N 3.1Å
918	T	63	Low	56.6	Low	53 Å²	53	86.9 Å²	86.9	33%	0.325	48%	0.481	S	S	.	.	G	3₁₀ helix	trans	-58.3	-25.5	173.6	51.4	0	0	0	0	113	M902 V904 S920 Y921	M902-T918 PolarHBondContact O-N 2.93Å; M902-T918 PolarHBondContact O-OG1 2.91Å; V904-T918 HydrophobicContact CG2-CG2 3.51Å; T918-S920 VanDerWaalsContact C-N 3.26Å; T918-S920 PolarHBondContact O-N 3.01Å; T918-Y921 PolarHBondContact O-N 2.72Å
919	F	56.9	Low	55.4	Low	140 Å²	140	87 Å²	87	61%	0.614	49%	0.486	S	S	*	.	G	3₁₀ helix	trans	-66.6	-24.3	177.8	-74.3	-71.5	0	0	0	113.6	M902 S917 Y921 V922	M902-F919 HydrophobicContact CE-CD2 4.14Å; M902-F919 HydrophobicContact CE-CE2 3.2Å; M902-F919 HydrophobicContact CE-CZ 3.6Å; S917-F919 PolarHBondContact O-N 3.09Å; S917-F919 VanDerWaalsContact O-N 3.14Å; S917-F919 PolarHBondContact OG-N 3.21Å; F919-Y921 PolarHBondContact O-N 3.31Å; F919-V922 PolarHBondContact O-N 3.2Å
920	S	49.1	Very low	54.5	Low	91 Å²	91	89.4 Å²	89.4	64%	0.636	50%	0.501	S	S	*	.	G	3₁₀ helix	trans	-70.7	-20.1	176.3	-60.9	0	0	0	0	112.9	S917 T918 V922	S917-S920 PolarHBondContact O-N 2.98Å; S917-S920 VanDerWaalsContact O-N 3.1Å; T918-S920 VanDerWaalsContact C-N 3.26Å; T918-S920 PolarHBondContact O-N 3.01Å; S920-V922 VanDerWaalsContact C-N 3.35Å
921	Y	42	Very low	52.7	Low	204 Å²	204	92.4 Å²	92.4	80%	0.8	52%	0.519	S	S	*	.	G	3₁₀ helix	trans	-84.3	-9.7	174.7	-117.9	-92.8	0	0	0	113.3	T918 F919	T918-Y921 PolarHBondContact O-N 2.72Å; F919-Y921 PolarHBondContact O-N 3.31Å
922	V	34.4	Very low	50.8	Low	104 Å²	104	98.4 Å²	98.4	63%	0.63	54%	0.543	S	S	*	.			trans	-105.2	54.2	177.8	-161.3	0	0	0	0	110.5	F919 S920 P924	F919-V922 PolarHBondContact O-N 3.2Å; S920-V922 VanDerWaalsContact C-N 3.35Å; V922-P924 VanDerWaalsContact C-CD 3.46Å
923	I	32.6	Very low	48.7	Very low	143 Å²	143	104.2 Å²	104.2	73%	0.733	58%	0.581	S	S	*	*			trans	-119.1	82.9	148.1	-50.5	179	0	0	0	106	S925	I923-S925 PolarHBondContact O-N 2.82Å; I923-S925 VanDerWaalsContact O-N 3.1Å
924	P	34.6	Very low	46.4	Very low	87 Å²	87	110 Å²	110	57%	0.565	61%	0.608	S	S	*	*			trans	-56.6	124.3	157.7	13.5	-7.6	0	0	0	104.9	V922 V926	V922-P924 VanDerWaalsContact C-CD 3.46Å; P924-V926 WeakPolarHBondContact O-CG2 3.24Å; P924-V926 PolarHBondContact O-N 2.92Å
925	S	35.7	Very low	43.8	Very low	105 Å²	105	114.9 Å²	114.9	73%	0.734	63%	0.628	S	S	*	*			trans	-57	81.2	168.6	52.1	0	0	0	0	108.5	I923 S927	I923-S925 PolarHBondContact O-N 2.82Å; I923-S925 VanDerWaalsContact O-N 3.1Å; S925-S927 PolarHBondContact O-N 3.42Å
926	V	33.1	Very low	41.2	Very low	112 Å²	112	126.6 Å²	126.6	68%	0.679	69%	0.688	S	S	*	*			trans	-72.2	90.2	167.9	-161.7	0	0	0	0	104	P924 P928	P924-V926 WeakPolarHBondContact O-CG2 3.24Å; P924-V926 PolarHBondContact O-N 2.92Å; V926-P928 WeakPolarHBondContact O-CD 3.26Å
927	S	32.8	Very low	39.1	Very low	74 Å²	74	130.3 Å²	130.3	52%	0.517	71%	0.709	S	S	.	*			trans	-48.7	120.9	170	-54.9	0	0	0	0	107	S925 S929	S925-S927 PolarHBondContact O-N 3.42Å; S927-S929 PolarHBondContact O-N 3.49Å
928	P	34.6	Very low	37.2	Very low	120 Å²	120	135.7 Å²	135.7	78%	0.779	74%	0.737	S	S	*	*	G	3₁₀ helix	trans	-63.6	7.1	-174.6	-23.1	33	0	0	0	115.2	V926 L930	V926-P928 WeakPolarHBondContact O-CD 3.26Å; P928-L930 PolarHBondContact O-N 2.77Å
929	S	37.3	Very low	35.8	Very low	97 Å²	97	140.3 Å²	140.3	68%	0.678	76%	0.76	S	S	*	*	G	3₁₀ helix	trans	-83.2	-5.8	-172.2	-39.8	0	0	0	0	114.8	S927	S927-S929 PolarHBondContact O-N 3.49Å
930	L	32.9	Very low	34.6	Very low	162 Å²	162	140.4 Å²	140.4	85%	0.848	77%	0.768	S	S	*	*	G	3₁₀ helix	trans	-107.6	0.9	-174.1	-90.7	154.7	0	0	0	116	P928 H932	P928-L930 PolarHBondContact O-N 2.77Å; L930-H932 PolarHBondContact O-N 3.19Å
931	L	30.2	Very low	33.7	Very low	152 Å²	152	143.4 Å²	143.4	80%	0.796	78%	0.776	S	S	*	*			trans	-88	76	167.9	-79.6	121	0	0	0	110.5	P933	L931-P933 WeakPolarHBondContact O-CD 3.45Å
932	H	32.5	Very low	33.1	Very low	172 Å²	172	139.4 Å²	139.4	80%	0.796	78%	0.775	S	S	*	*			trans	-95.1	108.9	158.8	-92.5	82.8	0	0	0	108.9	L930 Q934	L930-H932 PolarHBondContact O-N 3.19Å; H932-Q934 PolarHBondContact O-N 3.02Å
933	P	33.2	Very low	33	Very low	123 Å²	123	141.9 Å²	141.9	80%	0.799	79%	0.785	S	S	*	*			trans	-82.5	79.5	-176.5	32.8	-32.7	0	0	0	110.4	L931	L931-P933 WeakPolarHBondContact O-CD 3.45Å
934	Q	31.9	Very low	33.1	Very low	182 Å²	182	141.8 Å²	141.8	85%	0.85	79%	0.789	S	S	*	*			trans	-147.2	67	163.9	-78	-165.7	-17.7	0	0	110.3	H932	H932-Q934 PolarHBondContact O-N 3.02Å
935	K	30.7	Very low	32.9	Very low	203 Å²	203	146.4 Å²	146.4	88%	0.883	81%	0.808	S	S	*	*			trans	172.2	79.2	152.2	-99.8	170.9	-179.3	-177.1	0	109.8
936	L	30.3	Very low	32.7	Very low	255 Å²	255	150.2 Å²	150.2	100%	1.335	82%	0.815	S	S	*	*			trans	-170.3	0	145.3	-106	143.4	0	0	0	108.7

Retrieved 936 of 936 residues in 172.6 ms (Link to these results)

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