A0A5K4F1Z6_SCHMA Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A5K4F1Z6, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 643 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	23	Very low	22.9	Very low	235 Å²	235	143.7 Å²	143.7	100%	1.158	79%	0.785	S	S	*	*				0	128.7	0	-83.8	171.7	169.6	0	0	107.8	F3	M1-F3 PolarHBondContact O-N 3.1Å
2	A	20.7	Very low	23.5	Very low	103 Å²	103	144 Å²	144	85%	0.851	79%	0.785	S	S	*	*			trans	-62.6	124.6	175.3	0	0	0	0	0	108.5	S4	A2-S4 PolarHBondContact O-N 3.28Å
3	F	22.8	Very low	23.6	Very low	201 Å²	201	144.2 Å²	144.2	88%	0.882	79%	0.785	S	S	*	*			trans	-59.4	112.4	169.1	-71.5	-87.9	0	0	0	106.7	M1 T5	M1-F3 PolarHBondContact O-N 3.1Å; F3-T5 PolarHBondContact O-N 3.39Å
4	S	21.6	Very low	23.7	Very low	96 Å²	96	142.5 Å²	142.5	67%	0.671	77%	0.773	S	S	*	*			trans	-55.3	108.4	167.4	51.8	0	0	0	0	106.1	A2 L6	A2-S4 PolarHBondContact O-N 3.28Å; S4-L6 PolarHBondContact O-N 3.18Å
5	T	21.4	Very low	23.7	Very low	124 Å²	124	139 Å²	139	76%	0.761	76%	0.758	S	S	*	*			trans	-47.3	93.9	160.2	37.9	0	0	0	0	106.4	F3 D7	F3-T5 PolarHBondContact O-N 3.39Å; T5-D7 VanDerWaalsContact C-N 3.33Å; T5-D7 PolarHBondContact O-N 3.21Å
6	L	21.9	Very low	23.7	Very low	142 Å²	142	136.6 Å²	136.6	74%	0.743	75%	0.749	S	S	*	*			trans	-71.9	102.7	175.9	-151.9	92.2	0	0	0	104.1	S4 V8	S4-L6 PolarHBondContact O-N 3.18Å; L6-V8 PolarHBondContact O-N 3.4Å
7	D	21.5	Very low	23.7	Very low	134 Å²	134	135.4 Å²	135.4	72%	0.717	74%	0.741	S	S	*	*			trans	-40.8	114.1	-178.5	-70.4	-48.9	0	0	0	109.8	T5 I9	T5-D7 VanDerWaalsContact C-N 3.33Å; T5-D7 PolarHBondContact O-N 3.21Å; D7-I9 PolarHBondContact O-N 2.89Å
8	V	22.8	Very low	23.6	Very low	121 Å²	121	135.4 Å²	135.4	73%	0.733	74%	0.74	S	S	*	*			trans	-56.8	101.8	157.3	175.1	0	0	0	0	104	L6 K10	L6-V8 PolarHBondContact O-N 3.4Å; V8-K10 PolarHBondContact O-N 3.28Å
9	I	22.9	Very low	23.8	Very low	138 Å²	138	135.3 Å²	135.3	71%	0.708	74%	0.739	S	S	*	*			trans	-64.8	82.3	175.2	-61.3	177.5	0	0	0	106.6	D7 T11	D7-I9 PolarHBondContact O-N 2.89Å; I9-T11 VanDerWaalsContact C-N 3.29Å; I9-T11 HydrophobicContact CG2-CG2 3.97Å; I9-T11 WeakPolarHBondContact CG2-OG1 3.3Å; I9-T11 PolarHBondContact O-N 3.31Å
10	K	27.3	Very low	24.1	Very low	194 Å²	194	137.9 Å²	137.9	84%	0.843	75%	0.745	S	S	*	*			trans	-68.1	92	152.7	-88.6	-175.8	173.5	176.9	0	105.5	V8	V8-K10 PolarHBondContact O-N 3.28Å
11	T	26.1	Very low	24.4	Very low	93 Å²	93	138.5 Å²	138.5	57%	0.571	75%	0.748	S	S	*	*			trans	-141.7	99	164.5	56.3	0	0	0	0	110.2	I9	I9-T11 VanDerWaalsContact C-N 3.29Å; I9-T11 HydrophobicContact CG2-CG2 3.97Å; I9-T11 WeakPolarHBondContact CG2-OG1 3.3Å; I9-T11 PolarHBondContact O-N 3.31Å
12	N	30.6	Very low	24.8	Very low	147 Å²	147	132.6 Å²	132.6	79%	0.786	72%	0.722	S	S	*	*			trans	-22.2	132.8	135.6	-59.8	-16.6	0	0	0	112
13	D	23.8	Very low	25.3	Very low	147 Å²	147	137 Å²	137	79%	0.786	72%	0.722	S	S	*	*			trans	161	104.4	142.7	-78.8	-15.4	0	0	0	106.8	T15	D13-T15 PolarHBondContact O-N 2.87Å
14	I	25.8	Very low	26	Very low	120 Å²	120	134.5 Å²	134.5	62%	0.615	71%	0.707	S	S	*	*			trans	-73.9	100.1	168.5	-61.4	170.7	0	0	0	104.9	V16	I14-V16 VanDerWaalsContact C-N 3.32Å; I14-V16 HydrophobicContact CG2-CG2 3.96Å; I14-V16 PolarHBondContact O-N 2.89Å
15	T	23.2	Very low	27.4	Very low	90 Å²	90	136.8 Å²	136.8	55%	0.552	71%	0.707	S	S	*	*			trans	-71.4	95.5	165.4	42.5	0	0	0	0	107.7	D13 L17 E47	D13-T15 PolarHBondContact O-N 2.87Å; T15-L17 VanDerWaalsContact C-N 3.3Å; T15-L17 PolarHBondContact O-N 3.08Å; T15-E47 WeakPolarHBondContact CB-OE2 3.28Å; T15-E47 PolarHBondContact OG1-OE2 3.14Å
16	V	23.7	Very low	28.8	Very low	101 Å²	101	131.6 Å²	131.6	61%	0.612	68%	0.679	S	S	*	*			trans	-69.1	95.8	161.5	-177.8	0	0	0	0	105.6	I14 D18	I14-V16 VanDerWaalsContact C-N 3.32Å; I14-V16 HydrophobicContact CG2-CG2 3.96Å; I14-V16 PolarHBondContact O-N 2.89Å; V16-D18 PolarHBondContact O-N 3.44Å
17	L	23.5	Very low	30.7	Very low	115 Å²	115	128.4 Å²	128.4	60%	0.602	66%	0.659	S	S	*	*			trans	-71.8	110.8	166.4	-86.2	170.1	0	0	0	107.7	T15 D19 E47	T15-L17 VanDerWaalsContact C-N 3.3Å; T15-L17 PolarHBondContact O-N 3.08Å; L17-D19 PolarHBondContact O-N 3.22Å; L17-E47 VanDerWaalsContact CD1-CD 3.42Å; L17-E47 HydrophobicContact CD1-CG 4.1Å; L17-E47 WeakPolarHBondContact CD1-OE1 3.35Å
18	D	22.3	Very low	32.7	Very low	136 Å²	136	122.4 Å²	122.4	73%	0.727	63%	0.627	S	S	*	*			trans	-66.8	75.1	165.9	-78.7	-32.2	0	0	0	109.7	V16	V16-D18 PolarHBondContact O-N 3.44Å
19	D	26.6	Very low	34.4	Very low	134 Å²	134	119.1 Å²	119.1	72%	0.717	61%	0.607	S	S	*	*			trans	-90.2	104	148.7	-108.4	-22.3	0	0	0	105.7	L17 N21 N22	L17-D19 PolarHBondContact O-N 3.22Å; D19-N21 PolarHBondContact O-N 3.14Å; D19-N22 PolarHBondContact O-N 3.18Å; D19-N22 VanDerWaalsContact O-N 3.16Å
20	E	29.6	Very low	36.2	Very low	186 Å²	186	114.2 Å²	114.2	87%	0.869	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	-2.5	-168.3	-80.9	-163.8	150.8	0	0	116
21	N	32	Very low	37.4	Very low	152 Å²	152	106.9 Å²	106.9	81%	0.813	55%	0.552	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	-3.4	179.5	-76.5	-39.5	0	0	0	117.1	D19	D19-N21 PolarHBondContact O-N 3.14Å
22	N	30.4	Very low	38.6	Very low	111 Å²	111	108.5 Å²	108.5	59%	0.594	55%	0.553	S	S	*	*			trans	-148.1	77.2	-177.6	-85.6	-32.9	0	0	0	113.4	D19 Y24	D19-N22 PolarHBondContact O-N 3.18Å; D19-N22 VanDerWaalsContact O-N 3.16Å; N22-Y24 HydrophobicContact CB-CD2 3.85Å; N22-Y24 HydrophobicContact CB-CE2 3.95Å; N22-Y24 PolarHBondContact O-N 2.94Å; N22-Y24 WeakPolarHBondContact OD1-CE2 3.41Å
23	K	32.1	Very low	39.3	Very low	196 Å²	196	104 Å²	104	85%	0.852	53%	0.525	S	S	*	.			trans	-67.1	77.1	167.6	-70.6	-175.9	178.1	-177	0	111.2
24	Y	37.1	Very low	40.1	Very low	147 Å²	147	103.5 Å²	103.5	58%	0.576	53%	0.53	S	S	*	.			trans	-105.8	108.6	168	-68.6	-73.7	0	0	0	109.4	N22 G26 T69	N22-Y24 HydrophobicContact CB-CD2 3.85Å; N22-Y24 HydrophobicContact CB-CE2 3.95Å; N22-Y24 PolarHBondContact O-N 2.94Å; N22-Y24 WeakPolarHBondContact OD1-CE2 3.41Å; Y24-G26 PolarHBondContact O-N 3.24Å; Y24-T69 HydrophobicContact CD2-CG2 4.44Å; Y24-T69 HydrophobicContact CG-CG2 4.22Å
25	E	50	Low	41.1	Very low	144 Å²	144	101 Å²	101	67%	0.673	53%	0.533	S	S	*	.			trans	-64.7	99.4	167.5	-77.1	-176.1	173.9	0	0	108.8	K27 T43	E25-K27 PolarHBondContact O-N 2.98Å; E25-T43 PolarHBondContact O-OG1 3.42Å
26	G	50.5	Low	42.5	Very low	16 Å²	16	98.6 Å²	98.6	17%	0.165	52%	0.515	C	S	.	.			trans	-70.9	117.2	172.5	0	0	0	0	0	110.3	Y24 G44 L46	Y24-G26 PolarHBondContact O-N 3.24Å; G26-G44 CarbonylContact C-O 3.58Å; G26-L46 WeakPolarHBondContact O-CD2 3.46Å; G26-L46 VanDerWaalsContact O-CG 3.23Å; G26-L46 WeakPolarHBondContact O-CG 3.31Å
27	K	63.1	Low	44.1	Very low	75 Å²	75	96.2 Å²	96.2	33%	0.326	50%	0.495	S	S	.	.			trans	-100.1	118.3	173.4	-69.6	-176.7	179.5	179.8	0	109.7	E25 D42 T43 G44 T253	E25-K27 PolarHBondContact O-N 2.98Å; K27-D42 HydrophobicContact CB-CB 4.14Å; K27-D42 WeakPolarHBondContact O-CB 3.27Å; K27-D42 PolarHBondContact O-N 2.8Å; K27-T43 PolarHBondContact N-OG1 3.01Å; K27-G44 CarbonylContact C-O 3.51Å; K27-G44 PolarHBondContact N-O 3.18Å; K27-T253 PolarHBondContact NZ-O 3.25Å
28	S	63.4	Low	45.8	Very low	7 Å²	7	91 Å²	91	5%	0.049	47%	0.467	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	154.6	170.9	52.9	0	0	0	0	109.9	I40 G44 L46 H49	S28-I40 CarbonylContact C-O 3.37Å; S28-I40 WeakPolarHBondContact CA-O 3.39Å; S28-I40 WeakPolarHBondContact CB-O 3.22Å; S28-G44 WeakPolarHBondContact CB-O 3.46Å; S28-L46 WeakPolarHBondContact O-CD1 3.45Å; S28-L46 WeakPolarHBondContact OG-CB 3.14Å; S28-L46 WeakPolarHBondContact OG-CG 3.4Å; S28-L46 PolarHBondContact OG-N 2.87Å; S28-H49 PolarHBondContact O-CE1 3.14Å; S28-H49 PolarHBondContact OG-ND1 3.29Å
29	V	59	Low	48	Very low	52 Å²	52	84.5 Å²	84.5	32%	0.315	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	139.3	-178.9	175.9	0	0	0	0	109.2	I31 I40 Y250	V29-I31 HydrophobicContact CG1-CG1 4.21Å; V29-I40 PolarHBondContact N-O 3.2Å; V29-I40 PolarHBondContact O-N 3.1Å; V29-Y250 HydrophobicContact CG2-CE2 4.44Å
30	I	60.1	Low	49.8	Very low	36 Å²	36	78.7 Å²	78.7	19%	0.185	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	122.8	169.2	-62.5	176.6	0	0	0	108.4	I38 L39 H49 I54	I30-I38 CarbonylContact C-O 3.31Å; I30-I38 WeakPolarHBondContact CA-O 3.21Å; I30-L39 HydrophobicContact CD1-CD1 4.32Å; I30-L39 HydrophobicContact CG1-CB 4.3Å; I30-L39 HydrophobicContact CG1-CD1 3.61Å; I30-H49 HydrophobicContact CD1-CB 4.19Å; I30-I54 HydrophobicContact CD1-CG2 3.28Å
31	I	51.9	Low	51.6	Low	39 Å²	39	69.9 Å²	69.9	20%	0.2	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	124.4	172.7	-51.8	179.6	0	0	0	107.6	V29 Y33 R37 I38 I40	V29-I31 HydrophobicContact CG1-CG1 4.21Å; I31-Y33 HydrophobicContact CG2-CD2 3.87Å; I31-Y33 HydrophobicContact CG2-CE2 3.37Å; I31-R37 WeakPolarHBondContact O-CA 3.21Å; I31-I38 HydrophobicContact CB-CB 4.46Å; I31-I38 PolarHBondContact N-O 3.21Å; I31-I38 PolarHBondContact O-N 3.01Å; I31-I40 HydrophobicContact CD1-CD1 3.58Å; I31-I40 HydrophobicContact CD1-CG1 4.49Å; I31-I40 HydrophobicContact CG1-CD1 4.38Å
32	Q	51.2	Low	53	Low	127 Å²	127	63 Å²	63	59%	0.593	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.3	121.9	178.1	-178.6	168.2	-12.4	0	0	109.7	R37	Q32-R37 HydrophobicContact CB-CG 4.5Å; Q32-R37 HydrophobicContact CG-CG 4.17Å
33	Y	46.1	Very low	54.4	Low	53 Å²	53	59.8 Å²	59.8	21%	0.208	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	162.3	169.9	-74	-81.8	0	0	0	109.6	I31 G35 Y36 F248 A538	I31-Y33 HydrophobicContact CG2-CD2 3.87Å; I31-Y33 HydrophobicContact CG2-CE2 3.37Å; Y33-G35 PolarHBondContact O-N 3.18Å; Y33-Y36 PolarHBondContact N-O 3.3Å; Y33-Y36 PolarHBondContact O-N 3.08Å; Y33-Y36 VanDerWaalsContact O-O 3.06Å; Y33-F248 HydrophobicContact CE2-CD1 4.31Å; Y33-F248 HydrophobicContact CE2-CE1 4.23Å; Y33-A538 WeakPolarHBondContact OH-CB 3.14Å
34	P	40.4	Very low	55.9	Low	136 Å²	136	50.5 Å²	50.5	88%	0.883	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	109.8	171.5	-24.1	33.8	0	0	0	110.5	Y36	P34-Y36 PolarHBondContact O-N 3.09Å
35	G	47.1	Very low	57.4	Low	67 Å²	67	43.7 Å²	43.7	69%	0.691	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	81.5	-1.4	-179.4	0	0	0	0	0	116.8	Y33	Y33-G35 PolarHBondContact O-N 3.18Å
36	Y	52.9	Low	58.2	Low	40 Å²	40	39.7 Å²	39.7	16%	0.157	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	135.2	-172.9	-150	-103.5	0	0	0	113.7	Y33 P34 I38 D59 V60 K198 F199	Y33-Y36 PolarHBondContact N-O 3.3Å; Y33-Y36 PolarHBondContact O-N 3.08Å; Y33-Y36 VanDerWaalsContact O-O 3.06Å; P34-Y36 PolarHBondContact O-N 3.09Å; Y36-I38 HydrophobicContact CD1-CD1 3.95Å; Y36-I38 HydrophobicContact CD1-CG1 3.6Å; Y36-I38 HydrophobicContact CE1-CD1 3.89Å; Y36-I38 HydrophobicContact CE1-CG1 3.61Å; Y36-D59 WeakPolarHBondContact CA-OD2 3.4Å; Y36-D59 HydrophobicContact CD1-CB 4.26Å; Y36-D59 HydrophobicContact CD2-CB 3.81Å; Y36-D59 HydrophobicContact CE1-CB 4.03Å; Y36-D59 HydrophobicContact CE2-CB 3.56Å; Y36-D59 HydrophobicContact CG-CB 4.17Å; Y36-V60 HydrophobicContact CE1-CB 4.44Å; Y36-V60 HydrophobicContact CE1-CG2 3.36Å; Y36-V60 WeakPolarHBondContact OH-CG2 3.24Å; Y36-K198 HydrophobicContact CE2-CD 4.16Å; Y36-F199 WeakPolarHBondContact OH-CE1 3.49Å; Y36-F199 VanDerWaalsContact OH-CE2 3.31Å; Y36-F199 WeakPolarHBondContact OH-CE2 3.18Å; Y36-F199 WeakPolarHBondContact OH-CZ 3.35Å
37	R	57.4	Low	59	Low	52 Å²	52	42.6 Å²	42.6	20%	0.196	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	126.9	176.4	-63.9	-177.4	77.8	162.7	11	111.7	I31 Q32 T57 D59 V60	I31-R37 WeakPolarHBondContact O-CA 3.21Å; Q32-R37 HydrophobicContact CB-CG 4.5Å; Q32-R37 HydrophobicContact CG-CG 4.17Å; R37-T57 WeakPolarHBondContact CD-OG1 3.41Å; R37-T57 PolarHBondContact NH1-OG1 2.85Å; R37-D59 PolarHBondContact N-OD2 3.19Å; R37-D59 PolarHBondContact O-N 2.8Å; R37-V60 PolarHBondContact O-N 3.35Å; R37-V60 VanDerWaalsContact O-N 3.17Å
38	I	59.1	Low	59.1	Low	5 Å²	5	44.1 Å²	44.1	3%	0.026	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	121.6	179.8	-54.2	177.3	0	0	0	108.4	I30 I31 Y36 I40 V60 I62 F248	I30-I38 CarbonylContact C-O 3.31Å; I30-I38 WeakPolarHBondContact CA-O 3.21Å; I31-I38 HydrophobicContact CB-CB 4.46Å; I31-I38 PolarHBondContact N-O 3.21Å; I31-I38 PolarHBondContact O-N 3.01Å; Y36-I38 HydrophobicContact CD1-CD1 3.95Å; Y36-I38 HydrophobicContact CD1-CG1 3.6Å; Y36-I38 HydrophobicContact CE1-CD1 3.89Å; Y36-I38 HydrophobicContact CE1-CG1 3.61Å; I38-I40 HydrophobicContact CG2-CG1 3.97Å; I38-V60 CarbonylContact C-O 3.58Å; I38-V60 WeakPolarHBondContact CA-O 3.34Å; I38-V60 HydrophobicContact CG1-CB 4.3Å; I38-V60 HydrophobicContact CG1-CG2 4.43Å; I38-V60 HydrophobicContact CG2-CB 4.25Å; I38-I62 HydrophobicContact CG2-CD1 3.82Å; I38-I62 HydrophobicContact CG2-CG1 4.1Å; I38-F248 HydrophobicContact CD1-CD1 4.05Å; I38-F248 HydrophobicContact CD1-CE1 3.56Å; I38-F248 HydrophobicContact CD1-CZ 4.1Å
39	L	68.9	Low	59.3	Low	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	123.1	167.7	170.3	66.8	0	0	0	109	I30 I41 L45 H49 L55 I58 V60 I61 I62	I30-L39 HydrophobicContact CD1-CD1 4.32Å; I30-L39 HydrophobicContact CG1-CB 4.3Å; I30-L39 HydrophobicContact CG1-CD1 3.61Å; L39-I41 HydrophobicContact CD1-CG1 4.42Å; L39-I41 HydrophobicContact CD2-CD1 4.11Å; L39-I41 HydrophobicContact CD2-CG1 4.22Å; L39-I41 HydrophobicContact CG-CD1 4.41Å; L39-I41 HydrophobicContact CG-CG1 4Å; L39-L45 HydrophobicContact CD1-CD1 4.06Å; L39-L45 HydrophobicContact CD2-CD1 3.88Å; L39-H49 HydrophobicContact CD1-CB 4.32Å; L39-L55 HydrophobicContact CD2-CD2 4.29Å; L39-I58 HydrophobicContact CB-CD1 3.69Å; L39-I58 HydrophobicContact CB-CG1 4.36Å; L39-I58 HydrophobicContact CB-CG2 4.03Å; L39-I58 HydrophobicContact CD2-CD1 3.72Å; L39-I58 HydrophobicContact CG-CD1 4.28Å; L39-V60 PolarHBondContact N-O 3.29Å; L39-I61 HydrophobicContact CB-CG1 4.45Å; L39-I61 HydrophobicContact CD2-CG1 4.33Å; L39-I61 HydrophobicContact CD2-CG2 4.23Å; L39-I61 HydrophobicContact CG-CG2 4.46Å; L39-I61 CarbonylContact O-C 3.59Å; L39-I61 VanDerWaalsContact O-CA 3.27Å; L39-I61 WeakPolarHBondContact O-CA 3.43Å; L39-I62 PolarHBondContact O-N 3.01Å
40	I	62.7	Low	59.6	Low	11 Å²	11	45.7 Å²	45.7	6%	0.056	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	128.7	174.2	-55.5	-178.3	0	0	0	107.9	S28 V29 I31 I38 I62 L64 Y250	S28-I40 CarbonylContact C-O 3.37Å; S28-I40 WeakPolarHBondContact CA-O 3.39Å; S28-I40 WeakPolarHBondContact CB-O 3.22Å; V29-I40 PolarHBondContact N-O 3.2Å; V29-I40 PolarHBondContact O-N 3.1Å; I31-I40 HydrophobicContact CD1-CD1 3.58Å; I31-I40 HydrophobicContact CD1-CG1 4.49Å; I31-I40 HydrophobicContact CG1-CD1 4.38Å; I38-I40 HydrophobicContact CG2-CG1 3.97Å; I40-I62 CarbonylContact C-O 3.46Å; I40-I62 WeakPolarHBondContact CA-O 3.47Å; I40-I62 HydrophobicContact CG1-CB 4.47Å; I40-L64 HydrophobicContact CG2-CD1 3.75Å; I40-L64 HydrophobicContact CG2-CD2 3.81Å; I40-L64 HydrophobicContact CG2-CG 3.7Å; I40-Y250 HydrophobicContact CD1-CD2 4.46Å
41	I	67.3	Low	60	Low	1 Å²	1	50.2 Å²	50.2	1%	0.005	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	119.2	179.5	-55.4	176.4	0	0	0	107.5	L39 L45 I61 I62 V63 L64 V70 L74	L39-I41 HydrophobicContact CD1-CG1 4.42Å; L39-I41 HydrophobicContact CD2-CD1 4.11Å; L39-I41 HydrophobicContact CD2-CG1 4.22Å; L39-I41 HydrophobicContact CG-CD1 4.41Å; L39-I41 HydrophobicContact CG-CG1 4Å; I41-L45 HydrophobicContact CD1-CD1 4.17Å; I41-L45 HydrophobicContact CG1-CD1 4.23Å; I41-I61 HydrophobicContact CD1-CG2 3.69Å; I41-I61 HydrophobicContact CG1-CG2 4.31Å; I41-I62 PolarHBondContact N-O 3.16Å; I41-V63 HydrophobicContact CB-CG2 4.33Å; I41-V63 HydrophobicContact CD1-CG2 4.46Å; I41-V63 CarbonylContact O-C 3.53Å; I41-V63 WeakPolarHBondContact O-CA 3.24Å; I41-L64 PolarHBondContact O-N 3.25Å; I41-V70 HydrophobicContact CG2-CG1 4.17Å; I41-V70 HydrophobicContact CG2-CG2 4.19Å; I41-L74 HydrophobicContact CD1-CD2 3.75Å
42	D	62	Low	60.5	Low	9 Å²	9	49.7 Å²	49.7	5%	0.048	26%	0.258	C	S	.	.	S	Bend	trans	-98.1	-86.6	177.8	-175.5	22	0	0	0	110.3	K27 L64 V70	K27-D42 HydrophobicContact CB-CB 4.14Å; K27-D42 WeakPolarHBondContact O-CB 3.27Å; K27-D42 PolarHBondContact O-N 2.8Å; D42-L64 HydrophobicContact CB-CD1 3.94Å; D42-V70 WeakPolarHBondContact O-CG2 3.5Å
43	T	60.6	Low	61.1	Low	43 Å²	43	49.8 Å²	49.8	26%	0.264	26%	0.262	S	S	.	.	S	Bend	trans	-93	-16.3	-178.7	55.2	0	0	0	0	113.4	E25 K27	E25-T43 PolarHBondContact O-OG1 3.42Å; K27-T43 PolarHBondContact N-OG1 3.01Å
44	G	63.5	Low	62	Low	1 Å²	1	49.2 Å²	49.2	1%	0.01	26%	0.262	C	S	.	.			trans	172.7	171.4	-179.3	0	0	0	0	0	113.6	G26 K27 S28	G26-G44 CarbonylContact C-O 3.58Å; K27-G44 CarbonylContact C-O 3.51Å; K27-G44 PolarHBondContact N-O 3.18Å; S28-G44 WeakPolarHBondContact CB-O 3.46Å
45	L	69.1	Low	63.3	Low	4 Å²	4	42.8 Å²	42.8	2%	0.021	22%	0.221	C	C	.	.			trans	-98.7	119.3	-177.6	-172.6	65.7	0	0	0	111.3	L39 I41 H49 R50 L77	L39-L45 HydrophobicContact CD1-CD1 4.06Å; L39-L45 HydrophobicContact CD2-CD1 3.88Å; I41-L45 HydrophobicContact CD1-CD1 4.17Å; I41-L45 HydrophobicContact CG1-CD1 4.23Å; L45-H49 HydrophobicContact CD1-CB 3.87Å; L45-R50 HydrophobicContact CD2-CG 3.73Å; L45-R50 HydrophobicContact CG-CG 3.96Å; L45-R50 PolarHBondContact O-NE 3.09Å; L45-R50 PolarHBondContact O-NH2 3.22Å; L45-L77 HydrophobicContact CD2-CB 4.16Å; L45-L77 HydrophobicContact CD2-CD1 3.52Å; L45-L77 HydrophobicContact CD2-CD2 3.74Å; L45-L77 HydrophobicContact CD2-CG 4Å
46	L	65.9	Low	64.2	Low	60 Å²	60	40.2 Å²	40.2	31%	0.314	19%	0.192	S	C	.	.			trans	-66.1	139.6	176.8	-71.4	169.8	0	0	0	110.5	G26 S28 K48 H49 R50	G26-L46 WeakPolarHBondContact O-CD2 3.46Å; G26-L46 VanDerWaalsContact O-CG 3.23Å; G26-L46 WeakPolarHBondContact O-CG 3.31Å; S28-L46 WeakPolarHBondContact O-CD1 3.45Å; S28-L46 WeakPolarHBondContact OG-CB 3.14Å; S28-L46 WeakPolarHBondContact OG-CG 3.4Å; S28-L46 PolarHBondContact OG-N 2.87Å; L46-K48 VanDerWaalsContact C-N 3.25Å; L46-K48 HydrophobicContact CB-CG 4.1Å; L46-K48 PolarHBondContact O-N 3.24Å; L46-H49 WeakPolarHBondContact O-CA 3.43Å; L46-H49 WeakPolarHBondContact O-CB 3.42Å; L46-H49 PolarHBondContact O-N 3.16Å; L46-R50 PolarHBondContact O-N 2.67Å
47	E	67	Low	64.9	Low	77 Å²	77	39.8 Å²	39.8	36%	0.36	19%	0.193	S	C	.	.	G	3₁₀ helix	trans	-54.8	-40	-179.4	-67.9	-168	115.8	0	0	113.2	T15 L17 H49 R50	T15-E47 WeakPolarHBondContact CB-OE2 3.28Å; T15-E47 PolarHBondContact OG1-OE2 3.14Å; L17-E47 VanDerWaalsContact CD1-CD 3.42Å; L17-E47 HydrophobicContact CD1-CG 4.1Å; L17-E47 WeakPolarHBondContact CD1-OE1 3.35Å; E47-H49 PolarHBondContact O-N 2.86Å; E47-H49 VanDerWaalsContact O-N 3.16Å; E47-R50 WeakPolarHBondContact O-CA 3.47Å; E47-R50 VanDerWaalsContact O-CB 3.28Å; E47-R50 WeakPolarHBondContact O-CB 3.41Å; E47-R50 PolarHBondContact O-N 2.91Å
48	K	66.1	Low	65.4	Low	107 Å²	107	37.3 Å²	37.3	47%	0.465	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-59.4	-28.5	177.2	64.3	179.3	-178.4	-172.8	0	113.2	L46	L46-K48 VanDerWaalsContact C-N 3.25Å; L46-K48 HydrophobicContact CB-CG 4.1Å; L46-K48 PolarHBondContact O-N 3.24Å
49	H	67	Low	65.6	Low	21 Å²	21	37.2 Å²	37.2	10%	0.097	18%	0.184	C	C	.	.	G	3₁₀ helix	trans	-85.3	-10.3	175.7	-59.3	159.1	0	0	0	112.6	S28 I30 L39 L45 L46 E47 K51 L55	S28-H49 PolarHBondContact O-CE1 3.14Å; S28-H49 PolarHBondContact OG-ND1 3.29Å; I30-H49 HydrophobicContact CD1-CB 4.19Å; L39-H49 HydrophobicContact CD1-CB 4.32Å; L45-H49 HydrophobicContact CD1-CB 3.87Å; L46-H49 WeakPolarHBondContact O-CA 3.43Å; L46-H49 WeakPolarHBondContact O-CB 3.42Å; L46-H49 PolarHBondContact O-N 3.16Å; E47-H49 PolarHBondContact O-N 2.86Å; E47-H49 VanDerWaalsContact O-N 3.16Å; H49-K51 PolarHBondContact O-N 3.15Å; H49-L55 VanDerWaalsContact O-CD2 3.24Å; H49-L55 WeakPolarHBondContact O-CD2 3.34Å; H49-L55 WeakPolarHBondContact O-CG 3.28Å
50	R	66.3	Low	65.4	Low	71 Å²	71	37.3 Å²	37.3	27%	0.268	18%	0.184	S	C	.	.	G	3₁₀ helix	trans	-78.6	-2.3	175.7	-59.7	-177	-171.7	-178.5	0.6	113.6	L45 L46 E47 P52 L55 L77	L45-R50 HydrophobicContact CD2-CG 3.73Å; L45-R50 HydrophobicContact CG-CG 3.96Å; L45-R50 PolarHBondContact O-NE 3.09Å; L45-R50 PolarHBondContact O-NH2 3.22Å; L46-R50 PolarHBondContact O-N 2.67Å; E47-R50 WeakPolarHBondContact O-CA 3.47Å; E47-R50 VanDerWaalsContact O-CB 3.28Å; E47-R50 WeakPolarHBondContact O-CB 3.41Å; E47-R50 PolarHBondContact O-N 2.91Å; R50-P52 WeakPolarHBondContact O-CD 3.49Å; R50-L55 WeakPolarHBondContact O-CD1 3.49Å; R50-L77 HydrophobicContact CB-CD1 4.46Å; R50-L77 HydrophobicContact CG-CD1 4.41Å
51	K	67.8	Low	65.9	Low	130 Å²	130	36.8 Å²	36.8	57%	0.565	18%	0.182	S	C	*	.			trans	-64.7	123.2	-180	-67.8	-176.7	179	-179.2	0	110.1	H49 N53 I54 L55	H49-K51 PolarHBondContact O-N 3.15Å; K51-N53 VanDerWaalsContact C-N 3.28Å; K51-N53 PolarHBondContact O-N 3.36Å; K51-I54 HydrophobicContact CB-CB 4.41Å; K51-I54 HydrophobicContact CB-CD1 3.97Å; K51-I54 HydrophobicContact CB-CG1 4.06Å; K51-I54 HydrophobicContact CD-CD1 4.18Å; K51-I54 HydrophobicContact CG-CD1 4.5Å; K51-I54 WeakPolarHBondContact O-CB 3.07Å; K51-I54 PolarHBondContact O-N 3.35Å; K51-L55 WeakPolarHBondContact O-CG 3.3Å; K51-L55 PolarHBondContact O-N 3.31Å; K51-L55 VanDerWaalsContact O-N 3.11Å
52	P	61.7	Low	66	Low	28 Å²	28	37.5 Å²	37.5	18%	0.182	19%	0.185	C	C	.	.	H	α-helix	trans	-55	-40	-175.1	15	-28	0	0	0	113.5	R50 I54 L55 S56 K84 L86	R50-P52 WeakPolarHBondContact O-CD 3.49Å; P52-I54 PolarHBondContact O-N 3.26Å; P52-L55 PolarHBondContact O-N 3.02Å; P52-L55 VanDerWaalsContact O-N 3.1Å; P52-S56 PolarHBondContact O-N 3.43Å; P52-K84 HydrophobicContact CB-CD 4.44Å; P52-K84 HydrophobicContact CG-CD 4.23Å; P52-L86 HydrophobicContact CB-CD1 3.35Å; P52-L86 HydrophobicContact CG-CD1 4.32Å
53	N	64.7	Low	66.3	Low	129 Å²	129	37.3 Å²	37.3	69%	0.69	19%	0.185	S	C	*	.	H	α-helix	trans	-65	-26.3	178.8	-56.1	5.2	0	0	0	113.1	K51 S56 T57	K51-N53 VanDerWaalsContact C-N 3.28Å; K51-N53 PolarHBondContact O-N 3.36Å; N53-S56 PolarHBondContact O-OG 2.92Å; N53-T57 WeakPolarHBondContact O-CG2 3.29Å
54	I	64.9	Low	66.3	Low	41 Å²	41	36.7 Å²	36.7	21%	0.21	18%	0.18	C	C	.	.	H	α-helix	trans	-78.4	-44.7	174.2	-63.2	179.8	0	0	0	108.3	I30 K51 P52 T57	I30-I54 HydrophobicContact CD1-CG2 3.28Å; K51-I54 HydrophobicContact CB-CB 4.41Å; K51-I54 HydrophobicContact CB-CD1 3.97Å; K51-I54 HydrophobicContact CB-CG1 4.06Å; K51-I54 HydrophobicContact CD-CD1 4.18Å; K51-I54 HydrophobicContact CG-CD1 4.5Å; K51-I54 WeakPolarHBondContact O-CB 3.07Å; K51-I54 PolarHBondContact O-N 3.35Å; P52-I54 PolarHBondContact O-N 3.26Å; I54-T57 PolarHBondContact O-N 2.78Å; I54-T57 PolarHBondContact O-OG1 2.95Å
55	L	66.9	Low	66.2	Low	2 Å²	2	41.3 Å²	41.3	1%	0.01	20%	0.201	C	C	.	.	H	α-helix	trans	-65.6	-40.1	-175.3	-64.6	162.6	0	0	0	113.5	L39 H49 R50 K51 P52 T57 I58 L77 I81 F88	L39-L55 HydrophobicContact CD2-CD2 4.29Å; H49-L55 VanDerWaalsContact O-CD2 3.24Å; H49-L55 WeakPolarHBondContact O-CD2 3.34Å; H49-L55 WeakPolarHBondContact O-CG 3.28Å; R50-L55 WeakPolarHBondContact O-CD1 3.49Å; K51-L55 WeakPolarHBondContact O-CG 3.3Å; K51-L55 PolarHBondContact O-N 3.31Å; K51-L55 VanDerWaalsContact O-N 3.11Å; P52-L55 PolarHBondContact O-N 3.02Å; P52-L55 VanDerWaalsContact O-N 3.1Å; L55-T57 PolarHBondContact O-N 3.35Å; L55-T57 VanDerWaalsContact O-N 3.12Å; L55-I58 HydrophobicContact CB-CD1 4.47Å; L55-I58 HydrophobicContact CD2-CD1 3.65Å; L55-I58 HydrophobicContact CG-CD1 4.49Å; L55-I58 WeakPolarHBondContact O-CB 3.47Å; L55-I58 PolarHBondContact O-N 3.34Å; L55-I58 VanDerWaalsContact O-N 3.09Å; L55-L77 HydrophobicContact CD1-CD1 3.2Å; L55-L77 HydrophobicContact CD1-CG 4.15Å; L55-L77 HydrophobicContact CD2-CD1 3.86Å; L55-L77 HydrophobicContact CD2-CD2 4.08Å; L55-L77 HydrophobicContact CD2-CG 4.44Å; L55-L77 HydrophobicContact CG-CD1 4.15Å; L55-I81 HydrophobicContact CB-CD1 4.31Å; L55-I81 HydrophobicContact CD1-CD1 4.12Å; L55-I81 HydrophobicContact CD1-CG1 4.29Å; L55-F88 WeakPolarHBondContact O-CD1 2.78Å; L55-F88 WeakPolarHBondContact O-CE1 3.11Å
56	S	66.6	Low	66.1	Low	13 Å²	13	43.7 Å²	43.7	9%	0.091	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	-25.9	178.8	67.5	0	0	0	0	112.5	P52 N53 E89	P52-S56 PolarHBondContact O-N 3.43Å; N53-S56 PolarHBondContact O-OG 2.92Å; S56-E89 WeakPolarHBondContact CB-OE1 3.5Å; S56-E89 PolarHBondContact O-N 3.13Å; S56-E89 PolarHBondContact OG-OE1 2.81Å
57	T	66.6	Low	66	Low	30 Å²	30	42.7 Å²	42.7	18%	0.184	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	-3.4	-178.4	69.6	0	0	0	0	114.7	R37 N53 I54 L55	R37-T57 WeakPolarHBondContact CD-OG1 3.41Å; R37-T57 PolarHBondContact NH1-OG1 2.85Å; N53-T57 WeakPolarHBondContact O-CG2 3.29Å; I54-T57 PolarHBondContact O-N 2.78Å; I54-T57 PolarHBondContact O-OG1 2.95Å; L55-T57 PolarHBondContact O-N 3.35Å; L55-T57 VanDerWaalsContact O-N 3.12Å
58	I	69.2	Low	66.1	Low	0 Å²	0	43.1 Å²	43.1	0%	0	22%	0.219	C	C	.	.			trans	-76	128.6	-178.8	-65.9	168.1	0	0	0	110	L39 L55 V60 I61 T92	L39-I58 HydrophobicContact CB-CD1 3.69Å; L39-I58 HydrophobicContact CB-CG1 4.36Å; L39-I58 HydrophobicContact CB-CG2 4.03Å; L39-I58 HydrophobicContact CD2-CD1 3.72Å; L39-I58 HydrophobicContact CG-CD1 4.28Å; L55-I58 HydrophobicContact CB-CD1 4.47Å; L55-I58 HydrophobicContact CD2-CD1 3.65Å; L55-I58 HydrophobicContact CG-CD1 4.49Å; L55-I58 WeakPolarHBondContact O-CB 3.47Å; L55-I58 PolarHBondContact O-N 3.34Å; L55-I58 VanDerWaalsContact O-N 3.09Å; I58-V60 WeakPolarHBondContact CG2-O 3.29Å; I58-I61 HydrophobicContact CG2-CG1 3.8Å; I58-T92 HydrophobicContact CG2-CG2 4.28Å; I58-T92 WeakPolarHBondContact O-CB 3.31Å; I58-T92 VanDerWaalsContact O-CG2 3.24Å; I58-T92 WeakPolarHBondContact O-CG2 3.48Å; I58-T92 PolarHBondContact O-OG1 3.08Å
59	D	62.7	Low	66	Low	3 Å²	3	39.4 Å²	39.4	2%	0.016	21%	0.205	C	C	.	.	S	Bend	trans	-86.5	-32.6	175.1	-66	-81	0	0	0	112.2	Y36 R37 K90 T92 C93 K198	Y36-D59 WeakPolarHBondContact CA-OD2 3.4Å; Y36-D59 HydrophobicContact CD1-CB 4.26Å; Y36-D59 HydrophobicContact CD2-CB 3.81Å; Y36-D59 HydrophobicContact CE1-CB 4.03Å; Y36-D59 HydrophobicContact CE2-CB 3.56Å; Y36-D59 HydrophobicContact CG-CB 4.17Å; R37-D59 PolarHBondContact N-OD2 3.19Å; R37-D59 PolarHBondContact O-N 2.8Å; D59-K90 VanDerWaalsContact OD1-CD 3.29Å; D59-K90 WeakPolarHBondContact OD1-CD 3.33Å; D59-K90 IonicContact OD2-NZ 2.95Å; D59-T92 VanDerWaalsContact O-CA 3.27Å; D59-T92 WeakPolarHBondContact O-CA 3.43Å; D59-C93 PolarHBondContact O-N 3.06Å; D59-K198 IonicContact OD1-NZ 3.88Å; D59-K198 PolarHBondContact OD1-NZ 2.92Å
60	V	65	Low	66.1	Low	2 Å²	2	38.4 Å²	38.4	1%	0.012	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	134.6	-176.6	-166.2	0	0	0	0	111	Y36 R37 I38 L39 I58 I62 C93 I95 F199	Y36-V60 HydrophobicContact CE1-CB 4.44Å; Y36-V60 HydrophobicContact CE1-CG2 3.36Å; Y36-V60 WeakPolarHBondContact OH-CG2 3.24Å; R37-V60 PolarHBondContact O-N 3.35Å; R37-V60 VanDerWaalsContact O-N 3.17Å; I38-V60 CarbonylContact C-O 3.58Å; I38-V60 WeakPolarHBondContact CA-O 3.34Å; I38-V60 HydrophobicContact CG1-CB 4.3Å; I38-V60 HydrophobicContact CG1-CG2 4.43Å; I38-V60 HydrophobicContact CG2-CB 4.25Å; L39-V60 PolarHBondContact N-O 3.29Å; I58-V60 WeakPolarHBondContact CG2-O 3.29Å; V60-I62 HydrophobicContact CG1-CD1 4.34Å; V60-I62 HydrophobicContact CG1-CG1 3.77Å; V60-C93 CarbonylContact C-O 3.6Å; V60-C93 WeakPolarHBondContact CA-O 3.28Å; V60-I95 HydrophobicContact CG1-CD1 3.86Å; V60-I95 HydrophobicContact CG1-CG1 4.22Å; V60-F199 HydrophobicContact CG1-CZ 4.33Å; V60-F199 HydrophobicContact CG2-CE1 4.39Å; V60-F199 HydrophobicContact CG2-CE2 4.23Å; V60-F199 HydrophobicContact CG2-CZ 3.49Å; V60-F199 VanDerWaalsContact CG2-CZ 3.49Å
61	I	73.2	Confident	66.4	Low	0 Å²	0	36.8 Å²	36.8	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.3	169.1	-55	172.7	0	0	0	106.8	L39 I41 I58 F88 T92 C93 L94 I95 L139	L39-I61 HydrophobicContact CB-CG1 4.45Å; L39-I61 HydrophobicContact CD2-CG1 4.33Å; L39-I61 HydrophobicContact CD2-CG2 4.23Å; L39-I61 HydrophobicContact CG-CG2 4.46Å; L39-I61 CarbonylContact O-C 3.59Å; L39-I61 VanDerWaalsContact O-CA 3.27Å; L39-I61 WeakPolarHBondContact O-CA 3.43Å; I41-I61 HydrophobicContact CD1-CG2 3.69Å; I41-I61 HydrophobicContact CG1-CG2 4.31Å; I58-I61 HydrophobicContact CG2-CG1 3.8Å; I61-F88 HydrophobicContact CD1-CE1 4.38Å; I61-F88 HydrophobicContact CD1-CZ 4.34Å; I61-T92 HydrophobicContact CD1-CG2 4.19Å; I61-T92 HydrophobicContact CG1-CG2 4.1Å; I61-C93 PolarHBondContact N-O 2.73Å; I61-L94 HydrophobicContact CB-CD1 3.65Å; I61-L94 HydrophobicContact CG2-CD1 3.49Å; I61-L94 VanDerWaalsContact CG2-CD1 3.49Å; I61-L94 CarbonylContact O-C 3.58Å; I61-L94 WeakPolarHBondContact O-CA 3.09Å; I61-I95 PolarHBondContact O-N 3.09Å; I61-L139 HydrophobicContact CD1-CD2 4.24Å
62	I	68.7	Low	66.5	Low	16 Å²	16	35.6 Å²	35.6	8%	0.082	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113	119.2	177.4	-55.1	-179.6	0	0	0	107.9	I38 L39 I40 I41 V60 L64 I95 F225	I38-I62 HydrophobicContact CG2-CD1 3.82Å; I38-I62 HydrophobicContact CG2-CG1 4.1Å; L39-I62 PolarHBondContact O-N 3.01Å; I40-I62 CarbonylContact C-O 3.46Å; I40-I62 WeakPolarHBondContact CA-O 3.47Å; I40-I62 HydrophobicContact CG1-CB 4.47Å; I41-I62 PolarHBondContact N-O 3.16Å; V60-I62 HydrophobicContact CG1-CD1 4.34Å; V60-I62 HydrophobicContact CG1-CG1 3.77Å; I62-L64 HydrophobicContact CG2-CD2 4.16Å; I62-I95 HydrophobicContact CG1-CB 4.4Å; I62-I95 HydrophobicContact CG1-CD1 4.36Å; I62-F225 HydrophobicContact CG2-CE1 4.2Å; I62-F225 HydrophobicContact CG2-CZ 4.41Å
63	V	68.4	Low	67.1	Low	6 Å²	6	34.6 Å²	34.6	4%	0.036	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.2	124.2	169.6	177.5	0	0	0	0	108.1	I41 Q65 W66 V70 L74 L94 I95 L96 P97	I41-V63 HydrophobicContact CB-CG2 4.33Å; I41-V63 HydrophobicContact CD1-CG2 4.46Å; I41-V63 CarbonylContact O-C 3.53Å; I41-V63 WeakPolarHBondContact O-CA 3.24Å; V63-Q65 VanDerWaalsContact CG1-O 3.25Å; V63-Q65 WeakPolarHBondContact CG1-O 3.44Å; V63-W66 HydrophobicContact CG1-CE3 4.25Å; V63-V70 HydrophobicContact CG1-CG1 3.8Å; V63-V70 HydrophobicContact CG2-CG1 4.31Å; V63-L74 HydrophobicContact CG2-CD1 4.1Å; V63-L94 HydrophobicContact CG2-CD1 4.21Å; V63-I95 PolarHBondContact N-O 3.07Å; V63-L96 HydrophobicContact CB-CD2 3.64Å; V63-L96 HydrophobicContact CG1-CD2 4.39Å; V63-L96 HydrophobicContact CG2-CD2 3.38Å; V63-P97 HydrophobicContact CG1-CG 4.47Å; V63-P97 WeakPolarHBondContact O-CD 3.34Å
64	L	61.2	Low	67.7	Low	30 Å²	30	28.5 Å²	28.5	16%	0.157	16%	0.156	C	C	.	.	S	Bend	trans	-82.3	-44.4	-180	-56.5	-177	0	0	0	111.2	I40 I41 D42 I62 F225 V252	I40-L64 HydrophobicContact CG2-CD1 3.75Å; I40-L64 HydrophobicContact CG2-CD2 3.81Å; I40-L64 HydrophobicContact CG2-CG 3.7Å; I41-L64 PolarHBondContact O-N 3.25Å; D42-L64 HydrophobicContact CB-CD1 3.94Å; I62-L64 HydrophobicContact CG2-CD2 4.16Å; L64-F225 HydrophobicContact CD2-CE1 4.24Å; L64-F225 HydrophobicContact CD2-CE2 3.51Å; L64-F225 HydrophobicContact CD2-CZ 3.17Å; L64-V252 HydrophobicContact CD1-CG2 4.09Å
65	Q	61.1	Low	68.3	Low	97 Å²	97	28.5 Å²	28.5	45%	0.453	16%	0.157	S	C	.	.	S	Bend	trans	-132.5	132.9	-176.7	-61.6	-172.3	-1.8	0	0	109.6	V63	V63-Q65 VanDerWaalsContact CG1-O 3.25Å; V63-Q65 WeakPolarHBondContact CG1-O 3.44Å
66	W	67.6	Low	68.6	Low	55 Å²	55	31.8 Å²	31.8	21%	0.208	18%	0.175	C	C	.	.			trans	-86.8	126.3	173.6	-167	-100.7	0	0	0	110.2	V63 V70 Q71 L74 L96 P97 I99 W130	V63-W66 HydrophobicContact CG1-CE3 4.25Å; W66-V70 HydrophobicContact CE3-CG1 4.45Å; W66-V70 HydrophobicContact CZ3-CG1 4.5Å; W66-Q71 HydrophobicContact CH2-CB 4.25Å; W66-Q71 HydrophobicContact CH2-CG 4.44Å; W66-Q71 HydrophobicContact CZ2-CB 3.68Å; W66-Q71 HydrophobicContact CZ2-CG 3.82Å; W66-L74 HydrophobicContact CH2-CD1 4.09Å; W66-L74 HydrophobicContact CZ3-CD1 3.75Å; W66-L96 HydrophobicContact CE3-CD2 4.3Å; W66-L96 HydrophobicContact CZ3-CD1 4.32Å; W66-L96 HydrophobicContact CZ3-CD2 3.85Å; W66-P97 HydrophobicContact CB-CG 4.05Å; W66-I99 HydrophobicContact CB-CG1 3.97Å; W66-I99 HydrophobicContact CD2-CD1 3.42Å; W66-I99 VanDerWaalsContact CD2-CD1 3.42Å; W66-I99 HydrophobicContact CD2-CG1 3.58Å; W66-I99 HydrophobicContact CD2-CG2 4.46Å; W66-I99 HydrophobicContact CE3-CD1 3.54Å; W66-I99 HydrophobicContact CE3-CG1 4.04Å; W66-I99 HydrophobicContact CG-CB 4.41Å; W66-I99 HydrophobicContact CG-CD1 3.98Å; W66-I99 HydrophobicContact CG-CG1 3.55Å; W66-I99 HydrophobicContact CG-CG2 4.16Å; W66-I99 HydrophobicContact CH2-CD1 3.98Å; W66-I99 HydrophobicContact CZ2-CD1 3.86Å; W66-I99 HydrophobicContact CZ3-CD1 3.82Å; W66-W130 AromaticContact CH2-CD2 3.9Å; W66-W130 HydrophobicContact CH2-CD2 3.9Å; W66-W130 AromaticContact CH2-CE2 3.4Å; W66-W130 VanDerWaalsContact CH2-CE2 3.4Å; W66-W130 HydrophobicContact CH2-CE3 4.21Å; W66-W130 AromaticContact CH2-CH2 3.71Å; W66-W130 HydrophobicContact CH2-CH2 3.71Å; W66-W130 AromaticContact CH2-CZ2 3.3Å; W66-W130 HydrophobicContact CH2-CZ2 3.3Å; W66-W130 HydrophobicContact CH2-CZ3 4.14Å; W66-W130 AromaticContact CH2-NE1 3.92Å; W66-W130 HydrophobicContact CZ2-CD2 4.45Å; W66-W130 AromaticContact CZ2-CE2 3.64Å; W66-W130 HydrophobicContact CZ2-CH2 4.45Å; W66-W130 AromaticContact CZ2-CZ2 3.63Å; W66-W130 HydrophobicContact CZ2-CZ2 3.63Å; W66-W130 AromaticContact CZ2-NE1 3.71Å; W66-W130 HydrophobicContact CZ3-CH2 4.24Å; W66-W130 HydrophobicContact CZ3-CZ2 4.2Å
67	S	64.4	Low	69.1	Low	39 Å²	39	31.2 Å²	31.2	27%	0.273	17%	0.171	S	C	.	.			trans	-143.1	163.4	174.1	70.9	0	0	0	0	110	T69 V70 Q71	S67-T69 PolarHBondContact O-N 3.34Å; S67-V70 PolarHBondContact O-N 2.76Å; S67-V70 WeakPolarHBondContact OG-CG2 3.41Å; S67-V70 PolarHBondContact OG-N 3.1Å; S67-V70 VanDerWaalsContact OG-N 3.13Å; S67-Q71 WeakPolarHBondContact O-CB 3.42Å; S67-Q71 PolarHBondContact O-N 2.87Å
68	S	67.4	Low	69.8	Low	86 Å²	86	29.8 Å²	29.8	60%	0.601	16%	0.162	S	C	*	.	H	α-helix	trans	-57.4	-37.5	172.9	51.1	0	0	0	0	111.8	Q71 L72	S68-Q71 PolarHBondContact O-N 2.99Å; S68-L72 WeakPolarHBondContact O-CB 3.41Å; S68-L72 PolarHBondContact O-N 3.47Å
69	T	65.2	Low	70	Confident	29 Å²	29	32.1 Å²	32.1	18%	0.178	17%	0.174	C	C	.	.	H	α-helix	trans	-63.2	-44	176	-49.9	0	0	0	0	112.2	Y24 S67 S73	Y24-T69 HydrophobicContact CD2-CG2 4.44Å; Y24-T69 HydrophobicContact CG-CG2 4.22Å; S67-T69 PolarHBondContact O-N 3.34Å; T69-S73 VanDerWaalsContact O-CB 3.3Å; T69-S73 WeakPolarHBondContact O-CB 3.14Å; T69-S73 PolarHBondContact O-N 3.01Å; T69-S73 PolarHBondContact O-OG 2.92Å
70	V	69.4	Low	70.5	Confident	0 Å²	0	35.4 Å²	35.4	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-66.3	-44.1	176.1	171.3	0	0	0	0	110.5	I41 D42 V63 W66 S67 L72 S73 L74	I41-V70 HydrophobicContact CG2-CG1 4.17Å; I41-V70 HydrophobicContact CG2-CG2 4.19Å; D42-V70 WeakPolarHBondContact O-CG2 3.5Å; V63-V70 HydrophobicContact CG1-CG1 3.8Å; V63-V70 HydrophobicContact CG2-CG1 4.31Å; W66-V70 HydrophobicContact CE3-CG1 4.45Å; W66-V70 HydrophobicContact CZ3-CG1 4.5Å; S67-V70 PolarHBondContact O-N 2.76Å; S67-V70 WeakPolarHBondContact OG-CG2 3.41Å; S67-V70 PolarHBondContact OG-N 3.1Å; S67-V70 VanDerWaalsContact OG-N 3.13Å; V70-L72 PolarHBondContact O-N 3.32Å; V70-S73 WeakPolarHBondContact O-CB 3.42Å; V70-S73 PolarHBondContact O-N 3.1Å; V70-L74 HydrophobicContact CG1-CD1 3.9Å; V70-L74 HydrophobicContact CG1-CG 4.24Å; V70-L74 WeakPolarHBondContact O-CB 3.36Å; V70-L74 WeakPolarHBondContact O-CG 3.47Å; V70-L74 PolarHBondContact O-N 3.11Å
71	Q	72.9	Confident	70.9	Confident	37 Å²	37	35.7 Å²	35.7	17%	0.173	19%	0.191	C	C	.	.	H	α-helix	trans	-58.3	-47.1	176.8	-179.7	175.7	-24.7	0	0	111.7	W66 S67 S68 L74 N75 E127 W130	W66-Q71 HydrophobicContact CH2-CB 4.25Å; W66-Q71 HydrophobicContact CH2-CG 4.44Å; W66-Q71 HydrophobicContact CZ2-CB 3.68Å; W66-Q71 HydrophobicContact CZ2-CG 3.82Å; S67-Q71 WeakPolarHBondContact O-CB 3.42Å; S67-Q71 PolarHBondContact O-N 2.87Å; S68-Q71 PolarHBondContact O-N 2.99Å; Q71-L74 PolarHBondContact O-N 3.18Å; Q71-N75 WeakPolarHBondContact O-CB 3.47Å; Q71-N75 PolarHBondContact O-N 3.1Å; Q71-E127 PolarHBondContact NE2-O 3.04Å; Q71-E127 VanDerWaalsContact NE2-O 3.09Å; Q71-W130 HydrophobicContact CG-CG 4.41Å
72	L	69.5	Low	70.7	Confident	105 Å²	105	37.1 Å²	37.1	55%	0.55	20%	0.203	S	C	.	.	H	α-helix	trans	-65.3	-40.6	177.9	-170.1	132.8	0	0	0	111.4	S68 V70 N75 N76	S68-L72 WeakPolarHBondContact O-CB 3.41Å; S68-L72 PolarHBondContact O-N 3.47Å; V70-L72 PolarHBondContact O-N 3.32Å; L72-N75 PolarHBondContact O-N 3.15Å; L72-N76 WeakPolarHBondContact CD2-ND2 3.28Å; L72-N76 WeakPolarHBondContact O-CB 3.11Å; L72-N76 PolarHBondContact O-N 3.26Å
73	S	73.5	Confident	70.8	Confident	7 Å²	7	42.6 Å²	42.6	5%	0.049	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-45	175.1	-62.9	0	0	0	0	112	T69 V70 L77	T69-S73 VanDerWaalsContact O-CB 3.3Å; T69-S73 WeakPolarHBondContact O-CB 3.14Å; T69-S73 PolarHBondContact O-N 3.01Å; T69-S73 PolarHBondContact O-OG 2.92Å; V70-S73 WeakPolarHBondContact O-CB 3.42Å; V70-S73 PolarHBondContact O-N 3.1Å; S73-L77 VanDerWaalsContact O-CB 3.26Å; S73-L77 WeakPolarHBondContact O-CB 3.27Å; S73-L77 PolarHBondContact O-N 3.49Å
74	L	77.8	Confident	70.9	Confident	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-68	-40.8	177.2	-73	175.9	0	0	0	111.8	I41 V63 W66 V70 Q71 L77 F78	I41-L74 HydrophobicContact CD1-CD2 3.75Å; V63-L74 HydrophobicContact CG2-CD1 4.1Å; W66-L74 HydrophobicContact CH2-CD1 4.09Å; W66-L74 HydrophobicContact CZ3-CD1 3.75Å; V70-L74 HydrophobicContact CG1-CD1 3.9Å; V70-L74 HydrophobicContact CG1-CG 4.24Å; V70-L74 WeakPolarHBondContact O-CB 3.36Å; V70-L74 WeakPolarHBondContact O-CG 3.47Å; V70-L74 PolarHBondContact O-N 3.11Å; Q71-L74 PolarHBondContact O-N 3.18Å; L74-L77 HydrophobicContact CD2-CD2 4.42Å; L74-L77 WeakPolarHBondContact O-CB 3.47Å; L74-L77 PolarHBondContact O-N 3.25Å; L74-F78 HydrophobicContact CB-CD2 4.36Å; L74-F78 HydrophobicContact CB-CE2 3.93Å; L74-F78 HydrophobicContact CB-CZ 4.45Å; L74-F78 HydrophobicContact CD2-CE2 4.2Å; L74-F78 HydrophobicContact CD2-CZ 3.87Å; L74-F78 WeakPolarHBondContact O-CB 3.42Å; L74-F78 WeakPolarHBondContact O-CD2 3.33Å; L74-F78 WeakPolarHBondContact O-CG 3.42Å; L74-F78 PolarHBondContact O-N 3.45Å
75	N	76.3	Confident	71.1	Confident	42 Å²	42	52.8 Å²	52.8	23%	0.225	28%	0.282	C	S	.	.	H	α-helix	trans	-61.3	-47.3	176.5	-171.2	43.9	0	0	0	110.9	Q71 L72 L77 F78 N79 W130	Q71-N75 WeakPolarHBondContact O-CB 3.47Å; Q71-N75 PolarHBondContact O-N 3.1Å; L72-N75 PolarHBondContact O-N 3.15Å; N75-L77 VanDerWaalsContact C-N 3.32Å; N75-L77 PolarHBondContact O-N 3.3Å; N75-F78 PolarHBondContact O-N 2.97Å; N75-N79 VanDerWaalsContact O-CB 3.3Å; N75-N79 WeakPolarHBondContact O-CB 3.49Å; N75-N79 PolarHBondContact O-N 2.95Å; N75-N79 PolarHBondContact O-ND2 3.36Å; N75-N79 PolarHBondContact OD1-ND2 2.89Å; N75-N79 VanDerWaalsContact OD1-ND2 3.1Å; N75-W130 HydrophobicContact CB-CB 4Å
76	N	74.3	Confident	71.1	Confident	71 Å²	71	51.2 Å²	51.2	38%	0.38	28%	0.276	S	S	.	.	H	α-helix	trans	-62.1	-43.1	176.7	-69.3	-8.7	0	0	0	111	L72 N79 E80	L72-N76 WeakPolarHBondContact CD2-ND2 3.28Å; L72-N76 WeakPolarHBondContact O-CB 3.11Å; L72-N76 PolarHBondContact O-N 3.26Å; N76-N79 PolarHBondContact O-N 2.89Å; N76-E80 VanDerWaalsContact O-CB 3.28Å; N76-E80 WeakPolarHBondContact O-CB 3.26Å; N76-E80 PolarHBondContact O-N 3.15Å
77	L	77.4	Confident	71	Confident	1 Å²	1	53.6 Å²	53.6	1%	0.005	29%	0.292	C	S	.	.	H	α-helix	trans	-57.1	-53.5	176.6	-172.6	69.9	0	0	0	112.1	L45 R50 L55 S73 L74 N75 E80 I81	L45-L77 HydrophobicContact CD2-CB 4.16Å; L45-L77 HydrophobicContact CD2-CD1 3.52Å; L45-L77 HydrophobicContact CD2-CD2 3.74Å; L45-L77 HydrophobicContact CD2-CG 4Å; R50-L77 HydrophobicContact CB-CD1 4.46Å; R50-L77 HydrophobicContact CG-CD1 4.41Å; L55-L77 HydrophobicContact CD1-CD1 3.2Å; L55-L77 HydrophobicContact CD1-CG 4.15Å; L55-L77 HydrophobicContact CD2-CD1 3.86Å; L55-L77 HydrophobicContact CD2-CD2 4.08Å; L55-L77 HydrophobicContact CD2-CG 4.44Å; L55-L77 HydrophobicContact CG-CD1 4.15Å; S73-L77 VanDerWaalsContact O-CB 3.26Å; S73-L77 WeakPolarHBondContact O-CB 3.27Å; S73-L77 PolarHBondContact O-N 3.49Å; L74-L77 HydrophobicContact CD2-CD2 4.42Å; L74-L77 WeakPolarHBondContact O-CB 3.47Å; L74-L77 PolarHBondContact O-N 3.25Å; N75-L77 VanDerWaalsContact C-N 3.32Å; N75-L77 PolarHBondContact O-N 3.3Å; L77-E80 PolarHBondContact O-N 3.04Å; L77-I81 HydrophobicContact CG-CD1 4.11Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.4Å; L77-I81 PolarHBondContact O-N 2.86Å
78	F	80.2	Confident	70.9	Confident	0 Å²	0	52.8 Å²	52.8	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-69.9	-36.8	-175.9	-60.7	-33.3	0	0	0	111.6	L74 N75 E80 I81 A82 F88 L94 W130 I133 A134 L137 L139	L74-F78 HydrophobicContact CB-CD2 4.36Å; L74-F78 HydrophobicContact CB-CE2 3.93Å; L74-F78 HydrophobicContact CB-CZ 4.45Å; L74-F78 HydrophobicContact CD2-CE2 4.2Å; L74-F78 HydrophobicContact CD2-CZ 3.87Å; L74-F78 WeakPolarHBondContact O-CB 3.42Å; L74-F78 WeakPolarHBondContact O-CD2 3.33Å; L74-F78 WeakPolarHBondContact O-CG 3.42Å; L74-F78 PolarHBondContact O-N 3.45Å; N75-F78 PolarHBondContact O-N 2.97Å; F78-E80 VanDerWaalsContact C-N 3.34Å; F78-I81 HydrophobicContact CD1-CD1 4.45Å; F78-I81 PolarHBondContact O-N 3.48Å; F78-A82 WeakPolarHBondContact O-CB 3.15Å; F78-A82 PolarHBondContact O-N 3.24Å; F78-F88 HydrophobicContact CE1-CZ 4.44Å; F78-L94 HydrophobicContact CE2-CD2 4.25Å; F78-L94 HydrophobicContact CZ-CD2 4.02Å; F78-W130 HydrophobicContact CE2-CE3 4.2Å; F78-I133 HydrophobicContact CB-CB 4.14Å; F78-I133 HydrophobicContact CB-CG2 3.61Å; F78-A134 HydrophobicContact CD2-CB 3.88Å; F78-A134 HydrophobicContact CE2-CB 3.72Å; F78-A134 HydrophobicContact CZ-CB 4.23Å; F78-L137 HydrophobicContact CB-CD1 3.78Å; F78-L137 HydrophobicContact CD1-CD1 3.98Å; F78-L137 HydrophobicContact CG-CD1 4.17Å; F78-L139 HydrophobicContact CD1-CD1 3.99Å; F78-L139 HydrophobicContact CE1-CD1 3.55Å; F78-L139 HydrophobicContact CZ-CD1 3.9Å
79	N	74.1	Confident	70.4	Confident	49 Å²	49	55.4 Å²	55.4	26%	0.262	29%	0.287	S	S	.	.	H	α-helix	trans	-62.7	-41.4	171.1	-78.5	-48.2	0	0	0	111.7	N75 N76 A82 N83 I133	N75-N79 VanDerWaalsContact O-CB 3.3Å; N75-N79 WeakPolarHBondContact O-CB 3.49Å; N75-N79 PolarHBondContact O-N 2.95Å; N75-N79 PolarHBondContact O-ND2 3.36Å; N75-N79 PolarHBondContact OD1-ND2 2.89Å; N75-N79 VanDerWaalsContact OD1-ND2 3.1Å; N76-N79 PolarHBondContact O-N 2.89Å; N79-A82 PolarHBondContact O-N 2.99Å; N79-N83 WeakPolarHBondContact O-CB 3.2Å; N79-N83 PolarHBondContact O-N 2.91Å; N79-N83 PolarHBondContact O-ND2 3.22Å; N79-I133 WeakPolarHBondContact OD1-CD1 3.4Å
80	E	73.6	Confident	70	Confident	71 Å²	71	58 Å²	58	33%	0.332	30%	0.296	S	S	.	.	H	α-helix	trans	-65.8	-40.7	179.4	-161.9	-174	162.6	0	0	111.7	N76 L77 F78 K84	N76-E80 VanDerWaalsContact O-CB 3.28Å; N76-E80 WeakPolarHBondContact O-CB 3.26Å; N76-E80 PolarHBondContact O-N 3.15Å; L77-E80 PolarHBondContact O-N 3.04Å; F78-E80 VanDerWaalsContact C-N 3.34Å; E80-K84 HydrophobicContact CG-CD 4.36Å; E80-K84 WeakPolarHBondContact O-CB 3.44Å; E80-K84 VanDerWaalsContact O-CG 3.27Å; E80-K84 WeakPolarHBondContact O-CG 3.5Å; E80-K84 PolarHBondContact O-N 2.96Å; E80-K84 VanDerWaalsContact O-N 3.15Å; E80-K84 IonicContact OE1-NZ 2.67Å; E80-K84 PolarHBondContact OE1-NZ 3.3Å
81	I	72.2	Confident	69.5	Low	8 Å²	8	59.3 Å²	59.3	4%	0.041	31%	0.305	C	S	.	.	H	α-helix	trans	-63.4	-48.6	173.6	-65.9	169.2	0	0	0	110.2	L55 L77 F78 K84 N85 L86 F88 L137	L55-I81 HydrophobicContact CB-CD1 4.31Å; L55-I81 HydrophobicContact CD1-CD1 4.12Å; L55-I81 HydrophobicContact CD1-CG1 4.29Å; L77-I81 HydrophobicContact CG-CD1 4.11Å; L77-I81 VanDerWaalsContact O-CG1 3.28Å; L77-I81 WeakPolarHBondContact O-CG1 3.4Å; L77-I81 PolarHBondContact O-N 2.86Å; F78-I81 HydrophobicContact CD1-CD1 4.45Å; F78-I81 PolarHBondContact O-N 3.48Å; I81-K84 PolarHBondContact O-N 3.34Å; I81-N85 PolarHBondContact O-N 3.12Å; I81-L86 HydrophobicContact CG2-CB 3.99Å; I81-L86 WeakPolarHBondContact CG2-O 3.29Å; I81-L86 PolarHBondContact O-N 3.1Å; I81-F88 HydrophobicContact CD1-CE1 4.37Å; I81-F88 HydrophobicContact CD1-CE2 4.12Å; I81-F88 HydrophobicContact CD1-CZ 3.68Å; I81-L137 HydrophobicContact CB-CD1 4.04Å; I81-L137 HydrophobicContact CB-CD2 4.45Å; I81-L137 HydrophobicContact CG2-CD1 3.89Å; I81-L137 HydrophobicContact CG2-CD2 3.72Å; I81-L137 HydrophobicContact CG2-CG 4.43Å
82	A	70.5	Confident	69.2	Low	31 Å²	31	57.6 Å²	57.6	26%	0.256	30%	0.297	S	S	.	.	H	α-helix	trans	-63.5	-44.7	-179.1	0	0	0	0	0	112.3	F78 N79 K84 N85 I133 L137	F78-A82 WeakPolarHBondContact O-CB 3.15Å; F78-A82 PolarHBondContact O-N 3.24Å; N79-A82 PolarHBondContact O-N 2.99Å; A82-K84 VanDerWaalsContact C-N 3.26Å; A82-K84 PolarHBondContact O-N 3.47Å; A82-N85 WeakPolarHBondContact O-CA 3.26Å; A82-N85 PolarHBondContact O-N 2.94Å; A82-N85 PolarHBondContact O-OD1 2.91Å; A82-I133 HydrophobicContact CB-CG2 4.09Å; A82-L137 HydrophobicContact CB-CD2 4.02Å
83	N	70.7	Confident	69	Low	130 Å²	130	52.7 Å²	52.7	70%	0.695	27%	0.271	S	S	*	.	H	α-helix	trans	-65.4	-30.6	179.1	-71.6	-16.5	0	0	0	112.4	N79 N85	N79-N83 WeakPolarHBondContact O-CB 3.2Å; N79-N83 PolarHBondContact O-N 2.91Å; N79-N83 PolarHBondContact O-ND2 3.22Å; N83-N85 PolarHBondContact O-N 3.32Å
84	K	69.2	Low	69	Low	101 Å²	101	52.3 Å²	52.3	44%	0.439	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	3.4	173.1	-71.6	174.4	175.6	169.4	0	112.6	P52 E80 I81 A82 L86	P52-K84 HydrophobicContact CB-CD 4.44Å; P52-K84 HydrophobicContact CG-CD 4.23Å; E80-K84 HydrophobicContact CG-CD 4.36Å; E80-K84 WeakPolarHBondContact O-CB 3.44Å; E80-K84 VanDerWaalsContact O-CG 3.27Å; E80-K84 WeakPolarHBondContact O-CG 3.5Å; E80-K84 PolarHBondContact O-N 2.96Å; E80-K84 VanDerWaalsContact O-N 3.15Å; E80-K84 IonicContact OE1-NZ 2.67Å; E80-K84 PolarHBondContact OE1-NZ 3.3Å; I81-K84 PolarHBondContact O-N 3.34Å; A82-K84 VanDerWaalsContact C-N 3.26Å; A82-K84 PolarHBondContact O-N 3.47Å; K84-L86 HydrophobicContact CB-CB 4.45Å; K84-L86 HydrophobicContact CB-CD1 3.65Å; K84-L86 HydrophobicContact CB-CG 3.75Å; K84-L86 HydrophobicContact CD-CD1 4.07Å; K84-L86 HydrophobicContact CG-CD1 4.48Å; K84-L86 PolarHBondContact O-N 2.86Å; K84-L86 VanDerWaalsContact O-N 3.1Å
85	N	65.4	Low	68.4	Low	150 Å²	150	52.8 Å²	52.8	80%	0.802	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	30	-171.3	-68	-33.2	0	0	0	112.4	I81 A82 N83	I81-N85 PolarHBondContact O-N 3.12Å; A82-N85 WeakPolarHBondContact O-CA 3.26Å; A82-N85 PolarHBondContact O-N 2.94Å; A82-N85 PolarHBondContact O-OD1 2.91Å; N83-N85 PolarHBondContact O-N 3.32Å
86	L	62.6	Low	68	Low	64 Å²	64	50.9 Å²	50.9	34%	0.335	26%	0.261	S	S	.	.			trans	-86.9	140	176.6	-67.3	170.2	0	0	0	108.3	P52 I81 K84	P52-L86 HydrophobicContact CB-CD1 3.35Å; P52-L86 HydrophobicContact CG-CD1 4.32Å; I81-L86 HydrophobicContact CG2-CB 3.99Å; I81-L86 WeakPolarHBondContact CG2-O 3.29Å; I81-L86 PolarHBondContact O-N 3.1Å; K84-L86 HydrophobicContact CB-CB 4.45Å; K84-L86 HydrophobicContact CB-CD1 3.65Å; K84-L86 HydrophobicContact CB-CG 3.75Å; K84-L86 HydrophobicContact CD-CD1 4.07Å; K84-L86 HydrophobicContact CG-CD1 4.48Å; K84-L86 PolarHBondContact O-N 2.86Å; K84-L86 VanDerWaalsContact O-N 3.1Å
87	L	63.9	Low	67.3	Low	104 Å²	104	48.8 Å²	48.8	55%	0.545	25%	0.251	S	S	.	.			trans	-112	155.5	167.6	-68.8	169	0	0	0	107.8	E89 L137	L87-E89 PolarHBondContact O-N 2.97Å; L87-E89 VanDerWaalsContact O-N 3.15Å; L87-L137 HydrophobicContact CD2-CD2 4.41Å
88	F	62.1	Low	66.5	Low	22 Å²	22	53.1 Å²	53.1	10%	0.096	27%	0.272	C	S	.	.			trans	-61.2	121	167.6	-71.1	-86.7	0	0	0	108.2	L55 I61 F78 I81 K90 T92 L137 L139	L55-F88 WeakPolarHBondContact O-CD1 2.78Å; L55-F88 WeakPolarHBondContact O-CE1 3.11Å; I61-F88 HydrophobicContact CD1-CE1 4.38Å; I61-F88 HydrophobicContact CD1-CZ 4.34Å; F78-F88 HydrophobicContact CE1-CZ 4.44Å; I81-F88 HydrophobicContact CD1-CE1 4.37Å; I81-F88 HydrophobicContact CD1-CE2 4.12Å; I81-F88 HydrophobicContact CD1-CZ 3.68Å; F88-K90 WeakPolarHBondContact CB-O 3.36Å; F88-K90 PolarHBondContact O-N 3.38Å; F88-T92 WeakPolarHBondContact CB-OG1 3.28Å; F88-T92 HydrophobicContact CD1-CG2 3.97Å; F88-T92 WeakPolarHBondContact CD1-OG1 3.43Å; F88-T92 HydrophobicContact CE1-CG2 4.05Å; F88-T92 WeakPolarHBondContact CG-OG1 3.39Å; F88-L137 HydrophobicContact CD2-CB 4.26Å; F88-L137 HydrophobicContact CE2-CB 4.18Å; F88-L137 HydrophobicContact CE2-CD1 4.18Å; F88-L139 HydrophobicContact CD2-CD1 4.15Å; F88-L139 HydrophobicContact CD2-CD2 4.16Å; F88-L139 HydrophobicContact CD2-CG 3.86Å; F88-L139 HydrophobicContact CE1-CD2 4.42Å; F88-L139 HydrophobicContact CE2-CD1 3.38Å; F88-L139 HydrophobicContact CE2-CD2 3.79Å; F88-L139 HydrophobicContact CE2-CG 3.55Å; F88-L139 HydrophobicContact CZ-CD1 3.94Å; F88-L139 HydrophobicContact CZ-CD2 3.92Å; F88-L139 HydrophobicContact CZ-CG 4.17Å
89	E	57.1	Low	65.6	Low	142 Å²	142	53.3 Å²	53.3	66%	0.664	27%	0.273	S	S	*	.	S	Bend	trans	-62.3	-30.8	179.7	-74.9	166.7	-150.6	0	0	110.9	S56 L87	S56-E89 WeakPolarHBondContact CB-OE1 3.5Å; S56-E89 PolarHBondContact O-N 3.13Å; S56-E89 PolarHBondContact OG-OE1 2.81Å; L87-E89 PolarHBondContact O-N 2.97Å; L87-E89 VanDerWaalsContact O-N 3.15Å
90	K	58.4	Low	64.7	Low	83 Å²	83	53 Å²	53	36%	0.361	28%	0.281	S	S	.	.	S	Bend	trans	-110.1	155.6	177.6	-63	-173.9	-179.3	179.8	0	110.5	D59 F88 T92	D59-K90 VanDerWaalsContact OD1-CD 3.29Å; D59-K90 WeakPolarHBondContact OD1-CD 3.33Å; D59-K90 IonicContact OD2-NZ 2.95Å; F88-K90 WeakPolarHBondContact CB-O 3.36Å; F88-K90 PolarHBondContact O-N 3.38Å; K90-T92 PolarHBondContact O-N 3.01Å; K90-T92 PolarHBondContact O-OG1 2.93Å; K90-T92 VanDerWaalsContact O-OG1 3.12Å
91	C	57.8	Low	63.8	Low	28 Å²	28	52.6 Å²	52.6	19%	0.189	28%	0.28	C	S	.	.			trans	-60	101.6	166	-68.4	0	0	0	0	109.5	R191 L194 K198	C91-R191 VanDerWaalsContact SG-CG 3.6Å; C91-L194 HydrophobicContact CB-CB 4.43Å; C91-K198 PolarHBondContact O-NZ 3.27Å
92	T	66	Low	62.9	Low	1 Å²	1	52.6 Å²	52.6	1%	0.006	28%	0.279	C	S	.	.			trans	-96.4	132.6	-179.6	-51	0	0	0	0	110.9	I58 D59 I61 F88 K90 L139 T140	I58-T92 HydrophobicContact CG2-CG2 4.28Å; I58-T92 WeakPolarHBondContact O-CB 3.31Å; I58-T92 VanDerWaalsContact O-CG2 3.24Å; I58-T92 WeakPolarHBondContact O-CG2 3.48Å; I58-T92 PolarHBondContact O-OG1 3.08Å; D59-T92 VanDerWaalsContact O-CA 3.27Å; D59-T92 WeakPolarHBondContact O-CA 3.43Å; I61-T92 HydrophobicContact CD1-CG2 4.19Å; I61-T92 HydrophobicContact CG1-CG2 4.1Å; F88-T92 WeakPolarHBondContact CB-OG1 3.28Å; F88-T92 HydrophobicContact CD1-CG2 3.97Å; F88-T92 WeakPolarHBondContact CD1-OG1 3.43Å; F88-T92 HydrophobicContact CE1-CG2 4.05Å; F88-T92 WeakPolarHBondContact CG-OG1 3.39Å; K90-T92 PolarHBondContact O-N 3.01Å; K90-T92 PolarHBondContact O-OG1 2.93Å; K90-T92 VanDerWaalsContact O-OG1 3.12Å; T92-L139 HydrophobicContact CG2-CD2 3.58Å; T92-T140 PolarHBondContact O-N 3.38Å; T92-T140 VanDerWaalsContact O-N 3.15Å
93	C	66.6	Low	61.7	Low	1 Å²	1	57.6 Å²	57.6	1%	0.007	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	131.5	174.7	-172.3	0	0	0	0	110.7	D59 V60 I61 T140 L142 L195 F199	D59-C93 PolarHBondContact O-N 3.06Å; V60-C93 CarbonylContact C-O 3.6Å; V60-C93 WeakPolarHBondContact CA-O 3.28Å; I61-C93 PolarHBondContact N-O 2.73Å; C93-T140 CarbonylContact C-O 3.58Å; C93-T140 WeakPolarHBondContact CA-O 3.33Å; C93-L142 VanDerWaalsContact SG-CD1 3.56Å; C93-L195 HydrophobicContact CB-CD1 3.66Å; C93-F199 HydrophobicContact CB-CE2 4.32Å
94	L	72.2	Confident	60	Low	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	115.5	169.5	177.5	64.5	0	0	0	109	I61 V63 F78 L96 W130 L139 T140 V141 L142	I61-L94 HydrophobicContact CB-CD1 3.65Å; I61-L94 HydrophobicContact CG2-CD1 3.49Å; I61-L94 VanDerWaalsContact CG2-CD1 3.49Å; I61-L94 CarbonylContact O-C 3.58Å; I61-L94 WeakPolarHBondContact O-CA 3.09Å; V63-L94 HydrophobicContact CG2-CD1 4.21Å; F78-L94 HydrophobicContact CE2-CD2 4.25Å; F78-L94 HydrophobicContact CZ-CD2 4.02Å; L94-L96 HydrophobicContact CD1-CD2 3.76Å; L94-L96 HydrophobicContact CD1-CG 4.44Å; L94-L96 HydrophobicContact CD2-CD1 4.09Å; L94-L96 HydrophobicContact CD2-CD2 4.03Å; L94-L96 HydrophobicContact CD2-CG 4.22Å; L94-L96 HydrophobicContact CG-CD1 4.3Å; L94-L96 HydrophobicContact CG-CD2 3.74Å; L94-L96 HydrophobicContact CG-CG 3.91Å; L94-W130 HydrophobicContact CD2-CZ3 3.95Å; L94-L139 HydrophobicContact CB-CD2 4.36Å; L94-T140 PolarHBondContact N-O 3.37Å; L94-V141 HydrophobicContact CB-CG2 4.29Å; L94-V141 HydrophobicContact CD2-CG1 4.16Å; L94-V141 HydrophobicContact CD2-CG2 4.09Å; L94-V141 HydrophobicContact CG-CG1 4.44Å; L94-V141 CarbonylContact O-C 3.53Å; L94-V141 WeakPolarHBondContact O-CA 3.34Å; L94-L142 PolarHBondContact O-N 3.11Å
95	I	66.2	Low	58.4	Low	10 Å²	10	55.9 Å²	55.9	5%	0.051	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	123.1	177.5	-57.4	179.6	0	0	0	108.2	V60 I61 I62 V63 L142 V144 L204	V60-I95 HydrophobicContact CG1-CD1 3.86Å; V60-I95 HydrophobicContact CG1-CG1 4.22Å; I61-I95 PolarHBondContact O-N 3.09Å; I62-I95 HydrophobicContact CG1-CB 4.4Å; I62-I95 HydrophobicContact CG1-CD1 4.36Å; V63-I95 PolarHBondContact N-O 3.07Å; I95-L142 CarbonylContact C-O 3.36Å; I95-L142 WeakPolarHBondContact CA-O 3.44Å; I95-V144 HydrophobicContact CG2-CG2 3.71Å; I95-L204 HydrophobicContact CD1-CD2 4.49Å; I95-L204 HydrophobicContact CG2-CD2 3.95Å
96	L	67.4	Low	56.6	Low	2 Å²	2	57 Å²	57	1%	0.01	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	149.9	-175.4	-58.5	176.1	0	0	0	110.7	V63 W66 L94 I99 W130 V141 L142 Q143 V144	V63-L96 HydrophobicContact CB-CD2 3.64Å; V63-L96 HydrophobicContact CG1-CD2 4.39Å; V63-L96 HydrophobicContact CG2-CD2 3.38Å; W66-L96 HydrophobicContact CE3-CD2 4.3Å; W66-L96 HydrophobicContact CZ3-CD1 4.32Å; W66-L96 HydrophobicContact CZ3-CD2 3.85Å; L94-L96 HydrophobicContact CD1-CD2 3.76Å; L94-L96 HydrophobicContact CD1-CG 4.44Å; L94-L96 HydrophobicContact CD2-CD1 4.09Å; L94-L96 HydrophobicContact CD2-CD2 4.03Å; L94-L96 HydrophobicContact CD2-CG 4.22Å; L94-L96 HydrophobicContact CG-CD1 4.3Å; L94-L96 HydrophobicContact CG-CD2 3.74Å; L94-L96 HydrophobicContact CG-CG 3.91Å; L96-I99 HydrophobicContact CD1-CD1 4.18Å; L96-W130 HydrophobicContact CD1-CH2 3.32Å; L96-W130 HydrophobicContact CD1-CZ2 4.41Å; L96-W130 HydrophobicContact CD1-CZ3 3.74Å; L96-V141 HydrophobicContact CD1-CG1 3.59Å; L96-V141 HydrophobicContact CG-CG1 4.31Å; L96-L142 PolarHBondContact N-O 2.9Å; L96-Q143 CarbonylContact O-C 3.5Å; L96-Q143 WeakPolarHBondContact O-CA 3.46Å; L96-V144 PolarHBondContact O-N 3.48Å
97	P	60.1	Low	55.2	Low	27 Å²	27	56.7 Å²	56.7	18%	0.175	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	170.2	167.6	33.6	-31.7	0	0	0	109.7	V63 W66 I99 Q143 V144	V63-P97 HydrophobicContact CG1-CG 4.47Å; V63-P97 WeakPolarHBondContact O-CD 3.34Å; W66-P97 HydrophobicContact CB-CG 4.05Å; P97-I99 PolarHBondContact O-N 3.36Å; P97-Q143 PolarHBondContact O-NE2 3.13Å; P97-V144 CarbonylContact C-O 3.58Å
98	M	60.4	Low	53.4	Low	91 Å²	91	58.1 Å²	58.1	45%	0.448	29%	0.289	S	S	.	.	P	Polyproline II helix	trans	-62.8	122.9	173	-161.5	-174.1	-162.5	0	0	110.5	K103 V144 C145	M98-K103 HydrophobicContact CE-CD 4.38Å; M98-K103 HydrophobicContact CE-CG 3.64Å; M98-K103 VanDerWaalsContact SD-CE 3.6Å; M98-K103 HydrophobicContact SD-CG 4.32Å; M98-V144 PolarHBondContact N-O 3.05Å; M98-V144 VanDerWaalsContact N-O 3.08Å; M98-C145 VanDerWaalsContact CG-SG 3.59Å
99	I	60.6	Low	51.7	Low	4 Å²	4	59.5 Å²	59.5	2%	0.021	30%	0.301	C	S	.	.	P	Polyproline II helix	trans	-103.9	123.3	-179.3	-58.4	161.6	0	0	0	106.7	W66 L96 P97 Q101 F102 W130	W66-I99 HydrophobicContact CB-CG1 3.97Å; W66-I99 HydrophobicContact CD2-CD1 3.42Å; W66-I99 VanDerWaalsContact CD2-CD1 3.42Å; W66-I99 HydrophobicContact CD2-CG1 3.58Å; W66-I99 HydrophobicContact CD2-CG2 4.46Å; W66-I99 HydrophobicContact CE3-CD1 3.54Å; W66-I99 HydrophobicContact CE3-CG1 4.04Å; W66-I99 HydrophobicContact CG-CB 4.41Å; W66-I99 HydrophobicContact CG-CD1 3.98Å; W66-I99 HydrophobicContact CG-CG1 3.55Å; W66-I99 HydrophobicContact CG-CG2 4.16Å; W66-I99 HydrophobicContact CH2-CD1 3.98Å; W66-I99 HydrophobicContact CZ2-CD1 3.86Å; W66-I99 HydrophobicContact CZ3-CD1 3.82Å; L96-I99 HydrophobicContact CD1-CD1 4.18Å; P97-I99 PolarHBondContact O-N 3.36Å; I99-Q101 HydrophobicContact CG2-CB 4.26Å; I99-Q101 PolarHBondContact O-N 2.99Å; I99-Q101 VanDerWaalsContact O-N 3.17Å; I99-F102 HydrophobicContact CB-CD2 3.74Å; I99-F102 HydrophobicContact CB-CE2 4.08Å; I99-F102 HydrophobicContact CD1-CD2 4.11Å; I99-F102 HydrophobicContact CD1-CE2 3.67Å; I99-F102 HydrophobicContact CG1-CD2 4.42Å; I99-F102 HydrophobicContact CG1-CE2 4.43Å; I99-F102 HydrophobicContact CG2-CD2 4.28Å; I99-F102 HydrophobicContact CG2-CE2 4.38Å; I99-F102 PolarHBondContact O-N 2.77Å; I99-W130 HydrophobicContact CD1-CH2 4.45Å; I99-W130 HydrophobicContact CD1-CZ2 4.21Å
100	G	55.2	Low	50.4	Low	42 Å²	42	60.5 Å²	60.5	43%	0.433	31%	0.309	S	S	.	.	H	α-helix	trans	-54.3	-36.5	-174.1	0	0	0	0	0	113.9	F102 K103	G100-F102 PolarHBondContact O-N 2.7Å; G100-K103 WeakPolarHBondContact O-CB 3.17Å; G100-K103 PolarHBondContact O-N 2.67Å
101	Q	55	Low	49	Very low	64 Å²	64	64 Å²	64	30%	0.299	33%	0.327	S	S	.	.	H	α-helix	trans	-56.3	-34.7	177.4	-70.3	161.5	-10.5	0	0	112.4	I99 K103 E127	I99-Q101 HydrophobicContact CG2-CB 4.26Å; I99-Q101 PolarHBondContact O-N 2.99Å; I99-Q101 VanDerWaalsContact O-N 3.17Å; Q101-K103 VanDerWaalsContact C-N 3.33Å; Q101-K103 PolarHBondContact O-N 3.27Å; Q101-E127 PolarHBondContact NE2-OE1 3.26Å; Q101-E127 PolarHBondContact NE2-OE2 2.92Å
102	F	54.2	Low	47.8	Very low	8 Å²	8	69 Å²	69	4%	0.035	35%	0.347	C	S	.	.	H	α-helix	trans	-78.1	-13.4	176.7	-60.3	-53.7	0	0	0	113.4	I99 G100 H104 V105 F107 M128 W130 L131 F154	I99-F102 HydrophobicContact CB-CD2 3.74Å; I99-F102 HydrophobicContact CB-CE2 4.08Å; I99-F102 HydrophobicContact CD1-CD2 4.11Å; I99-F102 HydrophobicContact CD1-CE2 3.67Å; I99-F102 HydrophobicContact CG1-CD2 4.42Å; I99-F102 HydrophobicContact CG1-CE2 4.43Å; I99-F102 HydrophobicContact CG2-CD2 4.28Å; I99-F102 HydrophobicContact CG2-CE2 4.38Å; I99-F102 PolarHBondContact O-N 2.77Å; G100-F102 PolarHBondContact O-N 2.7Å; F102-H104 VanDerWaalsContact C-N 3.27Å; F102-H104 PolarHBondContact O-N 2.92Å; F102-V105 PolarHBondContact O-N 3.12Å; F102-F107 VanDerWaalsContact O-CE2 3.26Å; F102-F107 WeakPolarHBondContact O-CE2 3.44Å; F102-M128 HydrophobicContact CD1-CE 4.4Å; F102-M128 HydrophobicContact CE1-CE 4.04Å; F102-M128 HydrophobicContact CE1-CG 4.19Å; F102-M128 HydrophobicContact CE1-SD 3.83Å; F102-W130 HydrophobicContact CE2-CZ2 4.2Å; F102-W130 HydrophobicContact CZ-CZ2 4.12Å; F102-L131 HydrophobicContact CE1-CD2 4.12Å; F102-L131 HydrophobicContact CZ-CD2 3.9Å; F102-F154 HydrophobicContact CD1-CE1 4.31Å; F102-F154 HydrophobicContact CD1-CZ 4.33Å; F102-F154 HydrophobicContact CD2-CZ 4.1Å; F102-F154 HydrophobicContact CE1-CE1 4.1Å; F102-F154 HydrophobicContact CE1-CZ 4.28Å; F102-F154 HydrophobicContact CE2-CZ 4.07Å; F102-F154 HydrophobicContact CG-CZ 4.27Å; F102-F154 HydrophobicContact CZ-CE1 4.3Å; F102-F154 HydrophobicContact CZ-CZ 4.18Å
103	K	44.9	Very low	46.3	Very low	136 Å²	136	74.1 Å²	74.1	59%	0.591	37%	0.369	S	S	*	.	H	α-helix	trans	-62.9	-34.6	174.5	-69.6	-178.7	175.6	-177.8	0	112.2	M98 G100 Q101 V105	M98-K103 HydrophobicContact CE-CD 4.38Å; M98-K103 HydrophobicContact CE-CG 3.64Å; M98-K103 VanDerWaalsContact SD-CE 3.6Å; M98-K103 HydrophobicContact SD-CG 4.32Å; G100-K103 WeakPolarHBondContact O-CB 3.17Å; G100-K103 PolarHBondContact O-N 2.67Å; Q101-K103 VanDerWaalsContact C-N 3.33Å; Q101-K103 PolarHBondContact O-N 3.27Å; K103-V105 VanDerWaalsContact C-N 3.34Å
104	H	34.4	Very low	44.7	Very low	161 Å²	161	75.8 Å²	75.8	75%	0.745	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.8	-16.7	-174.2	-72.1	-67.4	0	0	0	114.1	F102 K106	F102-H104 VanDerWaalsContact C-N 3.27Å; F102-H104 PolarHBondContact O-N 2.92Å; H104-K106 PolarHBondContact O-N 3.21Å
105	V	35.9	Very low	43.2	Very low	34 Å²	34	77.3 Å²	77.3	21%	0.206	39%	0.389	C	S	.	.	S	Bend	trans	-70.3	90.2	167.8	-171.1	0	0	0	0	105.9	F102 K103 F107 I115	F102-V105 PolarHBondContact O-N 3.12Å; K103-V105 VanDerWaalsContact C-N 3.34Å; V105-F107 HydrophobicContact CB-CE1 3.75Å; V105-F107 HydrophobicContact CB-CE2 3.78Å; V105-F107 HydrophobicContact CB-CZ 3.28Å; V105-F107 HydrophobicContact CG1-CD1 4.06Å; V105-F107 HydrophobicContact CG1-CE1 3.19Å; V105-F107 HydrophobicContact CG1-CE2 4.2Å; V105-F107 HydrophobicContact CG1-CZ 3.3Å; V105-F107 HydrophobicContact CG2-CZ 4.19Å; V105-F107 WeakPolarHBondContact O-CD2 3.4Å; V105-F107 WeakPolarHBondContact O-CE2 3.12Å; V105-F107 VanDerWaalsContact O-CG 3.23Å; V105-F107 WeakPolarHBondContact O-CG 3.33Å; V105-F107 PolarHBondContact O-N 3.26Å; V105-I115 HydrophobicContact CG1-CD1 3.82Å; V105-I115 HydrophobicContact CG1-CG1 4.32Å
106	K	28.1	Very low	41.8	Very low	172 Å²	172	82.2 Å²	82.2	75%	0.748	41%	0.41	S	S	*	.			trans	-57	94.7	-177.1	-78.2	-178.5	175.9	178	0	110	H104 N108	H104-K106 PolarHBondContact O-N 3.21Å; K106-N108 PolarHBondContact O-N 3.4Å
107	F	32.9	Very low	40.4	Very low	59 Å²	59	85.4 Å²	85.4	26%	0.259	43%	0.432	S	S	.	.			trans	-78.7	31.3	179.1	-62.3	-58.4	0	0	0	113.4	F102 V105 S109 L170	F102-F107 VanDerWaalsContact O-CE2 3.26Å; F102-F107 WeakPolarHBondContact O-CE2 3.44Å; V105-F107 HydrophobicContact CB-CE1 3.75Å; V105-F107 HydrophobicContact CB-CE2 3.78Å; V105-F107 HydrophobicContact CB-CZ 3.28Å; V105-F107 HydrophobicContact CG1-CD1 4.06Å; V105-F107 HydrophobicContact CG1-CE1 3.19Å; V105-F107 HydrophobicContact CG1-CE2 4.2Å; V105-F107 HydrophobicContact CG1-CZ 3.3Å; V105-F107 HydrophobicContact CG2-CZ 4.19Å; V105-F107 WeakPolarHBondContact O-CD2 3.4Å; V105-F107 WeakPolarHBondContact O-CE2 3.12Å; V105-F107 VanDerWaalsContact O-CG 3.23Å; V105-F107 WeakPolarHBondContact O-CG 3.33Å; V105-F107 PolarHBondContact O-N 3.26Å; F107-S109 VanDerWaalsContact C-N 3.26Å; F107-S109 PolarHBondContact O-N 3.16Å; F107-L170 HydrophobicContact CD1-CD2 3.5Å; F107-L170 VanDerWaalsContact CD1-CD2 3.5Å; F107-L170 HydrophobicContact CD2-CD2 4.19Å; F107-L170 HydrophobicContact CE1-CB 4.27Å; F107-L170 HydrophobicContact CE1-CD2 2.9Å; F107-L170 HydrophobicContact CE1-CG 4.21Å; F107-L170 HydrophobicContact CE2-CD2 3.64Å; F107-L170 HydrophobicContact CG-CD2 4.13Å; F107-L170 HydrophobicContact CZ-CD2 2.96Å; F107-L170 HydrophobicContact CZ-CG 4.39Å
108	N	25	Very low	39.1	Very low	134 Å²	134	88.8 Å²	88.8	72%	0.717	46%	0.456	S	S	*	.			trans	-81.9	77.9	176.2	-69.4	-0.4	0	0	0	108.6	K106 K113	K106-N108 PolarHBondContact O-N 3.4Å; N108-K113 PolarHBondContact O-NZ 2.91Å
109	S	28.1	Very low	37.8	Very low	51 Å²	51	90.9 Å²	90.9	36%	0.357	47%	0.469	S	S	.	.			trans	172.5	128.7	148.9	54	0	0	0	0	108.4	F107 Q111 K113	F107-S109 VanDerWaalsContact C-N 3.26Å; F107-S109 PolarHBondContact O-N 3.16Å; S109-Q111 PolarHBondContact O-N 3.09Å; S109-K113 WeakPolarHBondContact OG-CD 3.33Å; S109-K113 WeakPolarHBondContact OG-CE 3.32Å; S109-K113 PolarHBondContact OG-NZ 2.64Å; S109-K113 VanDerWaalsContact OG-NZ 3.1Å
110	I	28.5	Very low	36.8	Very low	162 Å²	162	91.9 Å²	91.9	83%	0.831	47%	0.474	S	S	*	.	S	Bend	trans	-56.8	-3.7	174.5	-68.1	161.6	0	0	0	113.3
111	Q	28.9	Very low	36.1	Very low	157 Å²	157	97.1 Å²	97.1	73%	0.734	49%	0.485	S	S	*	.	S	Bend	trans	-87.9	127.1	173.4	-68.9	179.9	-15	0	0	110.2	S109 K113	S109-Q111 PolarHBondContact O-N 3.09Å; Q111-K113 VanDerWaalsContact C-N 3.29Å; Q111-K113 PolarHBondContact O-N 2.87Å
112	H	33.2	Very low	35.6	Very low	133 Å²	133	100.2 Å²	100.2	62%	0.616	50%	0.504	S	S	*	.			trans	-34.2	86.6	167.1	-65.2	-80.8	0	0	0	112	S114 N171	H112-S114 PolarHBondContact O-N 3.12Å; H112-N171 PolarHBondContact CE1-OD1 3.14Å; H112-N171 VanDerWaalsContact CE1-OD1 3.27Å; H112-N171 PolarHBondContact ND1-OD1 3.18Å
113	K	33.6	Very low	35.1	Very low	108 Å²	108	105.2 Å²	105.2	47%	0.47	53%	0.531	S	S	.	.			trans	-79.1	99.7	173.1	-89.5	176.2	173.9	159.5	0	105.9	N108 S109 Q111 I115	N108-K113 PolarHBondContact O-NZ 2.91Å; S109-K113 WeakPolarHBondContact OG-CD 3.33Å; S109-K113 WeakPolarHBondContact OG-CE 3.32Å; S109-K113 PolarHBondContact OG-NZ 2.64Å; S109-K113 VanDerWaalsContact OG-NZ 3.1Å; Q111-K113 VanDerWaalsContact C-N 3.29Å; Q111-K113 PolarHBondContact O-N 2.87Å; K113-I115 PolarHBondContact O-N 3.11Å
114	S	34.9	Very low	35.2	Very low	37 Å²	37	102.2 Å²	102.2	26%	0.259	52%	0.519	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.6	113.8	161.9	67.1	0	0	0	0	106.6	H112 K116 Y169	H112-S114 PolarHBondContact O-N 3.12Å; S114-K116 VanDerWaalsContact C-N 3.27Å; S114-K116 PolarHBondContact O-N 3.48Å; S114-Y169 VanDerWaalsContact CB-CZ 3.48Å
115	I	39.1	Very low	35.7	Very low	32 Å²	32	97.7 Å²	97.7	16%	0.164	50%	0.499	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	99.5	168.6	-59.1	172.6	0	0	0	103.9	V105 K113 S117 L120 L168	V105-I115 HydrophobicContact CG1-CD1 3.82Å; V105-I115 HydrophobicContact CG1-CG1 4.32Å; K113-I115 PolarHBondContact O-N 3.11Å; I115-S117 PolarHBondContact O-N 3.46Å; I115-L120 HydrophobicContact CG2-CD1 3.93Å; I115-L120 HydrophobicContact CG2-CG 4.07Å; I115-L168 PolarHBondContact N-O 3.37Å
116	K	36.6	Very low	36.5	Very low	112 Å²	112	102.6 Å²	102.6	49%	0.487	52%	0.518	S	S	.	.			trans	-61.6	123.6	168.1	-74.5	-173.9	178.6	-179.8	0	105.3	S114 S118 L119	S114-K116 VanDerWaalsContact C-N 3.27Å; S114-K116 PolarHBondContact O-N 3.48Å; K116-S118 WeakPolarHBondContact CB-OG 3.36Å; K116-S118 PolarHBondContact O-N 3.4Å; K116-L119 PolarHBondContact O-N 2.87Å
117	S	39.2	Very low	37.9	Very low	69 Å²	69	98.1 Å²	98.1	48%	0.483	50%	0.5	S	S	.	.	G	3₁₀ helix	trans	-48.3	-27	176	50.6	0	0	0	0	112.8	I115 L119 L120	I115-S117 PolarHBondContact O-N 3.46Å; S117-L119 PolarHBondContact O-N 2.91Å; S117-L119 VanDerWaalsContact O-N 3.17Å; S117-L120 PolarHBondContact O-N 3.43Å
118	S	33.5	Very low	39.4	Very low	98 Å²	98	96.3 Å²	96.3	69%	0.685	49%	0.492	S	S	*	.	G	3₁₀ helix	trans	-61	-17.6	175.2	67	0	0	0	0	115.8	K116	K116-S118 WeakPolarHBondContact CB-OG 3.36Å; K116-S118 PolarHBondContact O-N 3.4Å
119	L	32.5	Very low	41.3	Very low	136 Å²	136	93.4 Å²	93.4	71%	0.712	48%	0.476	S	S	*	.	G	3₁₀ helix	trans	-90.8	-14.3	178.4	-85.8	151.4	0	0	0	113.3	K116 S117	K116-L119 PolarHBondContact O-N 2.87Å; S117-L119 PolarHBondContact O-N 2.91Å; S117-L119 VanDerWaalsContact O-N 3.17Å
120	L	39.1	Very low	43.5	Very low	24 Å²	24	91.1 Å²	91.1	13%	0.126	46%	0.459	C	S	.	.	S	Bend	trans	-86.2	126.4	178.5	-69.4	162.9	0	0	0	108.4	I115 S117 E124 I125 M128	I115-L120 HydrophobicContact CG2-CD1 3.93Å; I115-L120 HydrophobicContact CG2-CG 4.07Å; S117-L120 PolarHBondContact O-N 3.43Å; L120-E124 WeakPolarHBondContact CA-OE2 3.47Å; L120-E124 HydrophobicContact CB-CB 4.39Å; L120-E124 HydrophobicContact CD2-CB 4.06Å; L120-I125 HydrophobicContact CB-CD1 4.25Å; L120-I125 HydrophobicContact CB-CG1 3.61Å; L120-I125 HydrophobicContact CD1-CG1 4.47Å; L120-M128 HydrophobicContact CD1-SD 4.35Å; L120-M128 HydrophobicContact CD2-CE 3.45Å; L120-M128 VanDerWaalsContact CD2-CE 3.45Å; L120-M128 HydrophobicContact CD2-SD 4.18Å
121	K	41.1	Very low	45.6	Very low	152 Å²	152	83.4 Å²	83.4	66%	0.661	42%	0.42	S	S	*	.			trans	-61.9	148.5	170.7	-67.9	178.3	180	176.6	0	108.5	D123 E124 I125	K121-D123 PolarHBondContact O-N 3.06Å; K121-E124 HydrophobicContact CB-CG 4.21Å; K121-E124 PolarHBondContact N-OE2 3.48Å; K121-E124 WeakPolarHBondContact O-CA 3.32Å; K121-E124 WeakPolarHBondContact O-CB 2.98Å; K121-E124 PolarHBondContact O-N 2.81Å; K121-I125 PolarHBondContact O-N 2.87Å
122	N	43.8	Very low	47.3	Very low	130 Å²	130	78 Å²	78	70%	0.695	40%	0.395	S	S	*	.	H	α-helix	trans	-51.6	-32.3	-179.8	-79.5	-13.8	0	0	0	113.1	I125 K126	N122-I125 PolarHBondContact O-N 3.35Å; N122-K126 PolarHBondContact O-N 3.03Å; N122-K126 VanDerWaalsContact O-N 3.13Å
123	D	43.5	Very low	49	Very low	113 Å²	113	72.6 Å²	72.6	60%	0.604	37%	0.37	S	S	*	.	H	α-helix	trans	-69.4	-39.7	176	-57.9	-36.3	0	0	0	112.1	K121 I125 K126 E127	K121-D123 PolarHBondContact O-N 3.06Å; D123-I125 VanDerWaalsContact C-N 3.33Å; D123-I125 PolarHBondContact O-N 3.15Å; D123-K126 PolarHBondContact O-N 2.8Å; D123-E127 PolarHBondContact O-N 3.01Å; D123-E127 VanDerWaalsContact O-N 3.11Å
124	E	46.9	Very low	50.8	Low	72 Å²	72	67.4 Å²	67.4	34%	0.336	35%	0.348	S	S	.	.	H	α-helix	trans	-66.6	-35.6	174.3	-62.9	171.8	166.3	0	0	111.4	L120 K121 E127 M128	L120-E124 WeakPolarHBondContact CA-OE2 3.47Å; L120-E124 HydrophobicContact CB-CB 4.39Å; L120-E124 HydrophobicContact CD2-CB 4.06Å; K121-E124 HydrophobicContact CB-CG 4.21Å; K121-E124 PolarHBondContact N-OE2 3.48Å; K121-E124 WeakPolarHBondContact O-CA 3.32Å; K121-E124 WeakPolarHBondContact O-CB 2.98Å; K121-E124 PolarHBondContact O-N 2.81Å; E124-E127 PolarHBondContact O-N 3.18Å; E124-M128 WeakPolarHBondContact O-CG 3.23Å; E124-M128 PolarHBondContact O-N 2.86Å
125	I	45.7	Very low	52.3	Low	66 Å²	66	66.4 Å²	66.4	34%	0.338	34%	0.339	S	S	.	.	H	α-helix	trans	-62.5	-46	174.9	-62.7	176.2	0	0	0	110	L120 K121 N122 D123 E127 M128 I129	L120-I125 HydrophobicContact CB-CD1 4.25Å; L120-I125 HydrophobicContact CB-CG1 3.61Å; L120-I125 HydrophobicContact CD1-CG1 4.47Å; K121-I125 PolarHBondContact O-N 2.87Å; N122-I125 PolarHBondContact O-N 3.35Å; D123-I125 VanDerWaalsContact C-N 3.33Å; D123-I125 PolarHBondContact O-N 3.15Å; I125-E127 VanDerWaalsContact C-N 3.28Å; I125-E127 PolarHBondContact O-N 2.89Å; I125-M128 CarbonylContact O-C 3.48Å; I125-M128 PolarHBondContact O-N 3.44Å; I125-M128 VanDerWaalsContact O-N 3.08Å; I125-I129 WeakPolarHBondContact O-CG1 3.49Å; I125-I129 PolarHBondContact O-N 3.29Å; I125-I129 VanDerWaalsContact O-N 3.15Å
126	K	52.5	Low	53.6	Low	137 Å²	137	69.7 Å²	69.7	60%	0.596	35%	0.352	S	S	*	.	H	α-helix	trans	-58.3	-41.7	176.6	-76.1	179.3	-179.6	175	0	111.7	N122 D123 M128 I129	N122-K126 PolarHBondContact O-N 3.03Å; N122-K126 VanDerWaalsContact O-N 3.13Å; D123-K126 PolarHBondContact O-N 2.8Å; K126-M128 VanDerWaalsContact C-N 3.28Å; K126-M128 PolarHBondContact O-N 2.79Å; K126-I129 HydrophobicContact CB-CD1 4.46Å; K126-I129 HydrophobicContact CG-CD1 4.47Å; K126-I129 PolarHBondContact O-N 3.06Å
127	E	57.3	Low	55	Low	79 Å²	79	64.8 Å²	64.8	37%	0.369	33%	0.332	S	S	.	.	H	α-helix	trans	-66.8	-28	177.2	-70.6	-173.9	155.4	0	0	113	Q71 Q101 D123 E124 I125 W130	Q71-E127 PolarHBondContact NE2-O 3.04Å; Q71-E127 VanDerWaalsContact NE2-O 3.09Å; Q101-E127 PolarHBondContact NE2-OE1 3.26Å; Q101-E127 PolarHBondContact NE2-OE2 2.92Å; D123-E127 PolarHBondContact O-N 3.01Å; D123-E127 VanDerWaalsContact O-N 3.11Å; E124-E127 PolarHBondContact O-N 3.18Å; I125-E127 VanDerWaalsContact C-N 3.28Å; I125-E127 PolarHBondContact O-N 2.89Å; E127-W130 PolarHBondContact O-NE1 3.38Å
128	M	64.1	Low	56.3	Low	20 Å²	20	62.4 Å²	62.4	10%	0.099	32%	0.318	C	S	.	.	H	α-helix	trans	-95	3.1	179.9	-65.6	-169	-150.4	0	0	114.9	F102 L120 E124 I125 K126 W130 L131 H132	F102-M128 HydrophobicContact CD1-CE 4.4Å; F102-M128 HydrophobicContact CE1-CE 4.04Å; F102-M128 HydrophobicContact CE1-CG 4.19Å; F102-M128 HydrophobicContact CE1-SD 3.83Å; L120-M128 HydrophobicContact CD1-SD 4.35Å; L120-M128 HydrophobicContact CD2-CE 3.45Å; L120-M128 VanDerWaalsContact CD2-CE 3.45Å; L120-M128 HydrophobicContact CD2-SD 4.18Å; E124-M128 WeakPolarHBondContact O-CG 3.23Å; E124-M128 PolarHBondContact O-N 2.86Å; I125-M128 CarbonylContact O-C 3.48Å; I125-M128 PolarHBondContact O-N 3.44Å; I125-M128 VanDerWaalsContact O-N 3.08Å; K126-M128 VanDerWaalsContact C-N 3.28Å; K126-M128 PolarHBondContact O-N 2.79Å; M128-W130 VanDerWaalsContact C-N 3.26Å; M128-W130 PolarHBondContact O-N 2.88Å; M128-L131 WeakPolarHBondContact O-CB 3.27Å; M128-L131 PolarHBondContact O-N 3.01Å; M128-H132 PolarHBondContact O-N 2.92Å; M128-H132 VanDerWaalsContact O-N 3.15Å
129	I	65.9	Low	57.9	Low	73 Å²	73	58 Å²	58	37%	0.374	29%	0.286	S	S	.	.	H	α-helix	trans	-53.9	-44	179.8	-72.1	172.7	0	0	0	111.4	I125 K126 L131 H132 I133	I125-I129 WeakPolarHBondContact O-CG1 3.49Å; I125-I129 PolarHBondContact O-N 3.29Å; I125-I129 VanDerWaalsContact O-N 3.15Å; K126-I129 HydrophobicContact CB-CD1 4.46Å; K126-I129 HydrophobicContact CG-CD1 4.47Å; K126-I129 PolarHBondContact O-N 3.06Å; I129-L131 VanDerWaalsContact C-N 3.25Å; I129-L131 PolarHBondContact O-N 3.38Å; I129-H132 WeakPolarHBondContact O-CB 3.5Å; I129-H132 PolarHBondContact O-N 3.47Å; I129-H132 VanDerWaalsContact O-N 3.15Å; I129-I133 HydrophobicContact CG2-CD1 3.49Å; I129-I133 VanDerWaalsContact CG2-CD1 3.49Å; I129-I133 HydrophobicContact CG2-CG1 4.19Å; I129-I133 WeakPolarHBondContact O-CD1 3.43Å; I129-I133 VanDerWaalsContact O-CG1 3.29Å; I129-I133 WeakPolarHBondContact O-CG1 3.42Å; I129-I133 PolarHBondContact O-N 3.37Å
130	W	74.4	Confident	59.5	Low	3 Å²	3	52.1 Å²	52.1	1%	0.011	26%	0.256	C	S	.	.	H	α-helix	trans	-59.5	-36.7	179.6	69.6	-90.5	0	0	0	112.4	W66 Q71 N75 F78 L94 L96 I99 F102 E127 M128 A134	W66-W130 AromaticContact CH2-CD2 3.9Å; W66-W130 HydrophobicContact CH2-CD2 3.9Å; W66-W130 AromaticContact CH2-CE2 3.4Å; W66-W130 VanDerWaalsContact CH2-CE2 3.4Å; W66-W130 HydrophobicContact CH2-CE3 4.21Å; W66-W130 AromaticContact CH2-CH2 3.71Å; W66-W130 HydrophobicContact CH2-CH2 3.71Å; W66-W130 AromaticContact CH2-CZ2 3.3Å; W66-W130 HydrophobicContact CH2-CZ2 3.3Å; W66-W130 HydrophobicContact CH2-CZ3 4.14Å; W66-W130 AromaticContact CH2-NE1 3.92Å; W66-W130 HydrophobicContact CZ2-CD2 4.45Å; W66-W130 AromaticContact CZ2-CE2 3.64Å; W66-W130 HydrophobicContact CZ2-CH2 4.45Å; W66-W130 AromaticContact CZ2-CZ2 3.63Å; W66-W130 HydrophobicContact CZ2-CZ2 3.63Å; W66-W130 AromaticContact CZ2-NE1 3.71Å; W66-W130 HydrophobicContact CZ3-CH2 4.24Å; W66-W130 HydrophobicContact CZ3-CZ2 4.2Å; Q71-W130 HydrophobicContact CG-CG 4.41Å; N75-W130 HydrophobicContact CB-CB 4Å; F78-W130 HydrophobicContact CE2-CE3 4.2Å; L94-W130 HydrophobicContact CD2-CZ3 3.95Å; L96-W130 HydrophobicContact CD1-CH2 3.32Å; L96-W130 HydrophobicContact CD1-CZ2 4.41Å; L96-W130 HydrophobicContact CD1-CZ3 3.74Å; I99-W130 HydrophobicContact CD1-CH2 4.45Å; I99-W130 HydrophobicContact CD1-CZ2 4.21Å; F102-W130 HydrophobicContact CE2-CZ2 4.2Å; F102-W130 HydrophobicContact CZ-CZ2 4.12Å; E127-W130 PolarHBondContact O-NE1 3.38Å; M128-W130 VanDerWaalsContact C-N 3.26Å; M128-W130 PolarHBondContact O-N 2.88Å; W130-A134 VanDerWaalsContact O-CB 3.26Å; W130-A134 WeakPolarHBondContact O-CB 3.3Å; W130-A134 PolarHBondContact O-N 3.27Å
131	L	71	Confident	60.7	Low	1 Å²	1	51 Å²	51	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-69.9	-41.4	179.7	175.7	64.6	0	0	0	110.2	F102 M128 I129 A134 L135 V141 F154 L168	F102-L131 HydrophobicContact CE1-CD2 4.12Å; F102-L131 HydrophobicContact CZ-CD2 3.9Å; M128-L131 WeakPolarHBondContact O-CB 3.27Å; M128-L131 PolarHBondContact O-N 3.01Å; I129-L131 VanDerWaalsContact C-N 3.25Å; I129-L131 PolarHBondContact O-N 3.38Å; L131-A134 PolarHBondContact O-N 3.02Å; L131-L135 HydrophobicContact CD1-CD1 4.31Å; L131-L135 HydrophobicContact CD1-CG 4.41Å; L131-L135 HydrophobicContact CG-CD1 4.27Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 3.24Å; L131-V141 HydrophobicContact CD1-CB 4.09Å; L131-V141 HydrophobicContact CD1-CG1 3.95Å; L131-V141 HydrophobicContact CD1-CG2 3.93Å; L131-F154 HydrophobicContact CD1-CB 4.2Å; L131-F154 HydrophobicContact CD1-CD1 4.13Å; L131-F154 HydrophobicContact CD1-CD2 4.25Å; L131-F154 HydrophobicContact CD1-CG 3.94Å; L131-F154 HydrophobicContact CD2-CD1 3.51Å; L131-F154 HydrophobicContact CD2-CE1 3.61Å; L131-F154 HydrophobicContact CD2-CG 4.19Å; L131-F154 HydrophobicContact CD2-CZ 4.37Å; L131-F154 HydrophobicContact CG-CD1 4.35Å; L131-L168 HydrophobicContact CD2-CD2 4.21Å; L131-L168 HydrophobicContact CG-CD2 4.36Å
132	H	65.3	Low	61.7	Low	43 Å²	43	44.1 Å²	44.1	20%	0.199	22%	0.221	C	C	.	.	H	α-helix	trans	-61.5	-46.5	175.7	-166.7	68.5	0	0	0	111.8	M128 I129 L135 K136 Y156 E166	M128-H132 PolarHBondContact O-N 2.92Å; M128-H132 VanDerWaalsContact O-N 3.15Å; I129-H132 WeakPolarHBondContact O-CB 3.5Å; I129-H132 PolarHBondContact O-N 3.47Å; I129-H132 VanDerWaalsContact O-N 3.15Å; H132-L135 PolarHBondContact O-N 3.15Å; H132-K136 WeakPolarHBondContact NE2-CE 3.43Å; H132-K136 PolarHBondContact NE2-NZ 2.77Å; H132-K136 WeakPolarHBondContact O-CG 3.34Å; H132-K136 PolarHBondContact O-N 3.15Å; H132-Y156 AromaticContact CE1-CE2 3.56Å; H132-E166 IonicContact CE1-OE2 2.68Å; H132-E166 PolarHBondContact CE1-OE2 2.89Å; H132-E166 IonicContact NE2-OE2 2.73Å; H132-E166 PolarHBondContact NE2-OE2 2.73Å
133	I	68.6	Low	62.4	Low	19 Å²	19	38.2 Å²	38.2	10%	0.097	19%	0.189	C	C	.	.	H	α-helix	trans	-64.6	-44.2	177.6	-57.1	156.7	0	0	0	110.1	F78 N79 A82 I129 L135 K136 L137	F78-I133 HydrophobicContact CB-CB 4.14Å; F78-I133 HydrophobicContact CB-CG2 3.61Å; N79-I133 WeakPolarHBondContact OD1-CD1 3.4Å; A82-I133 HydrophobicContact CB-CG2 4.09Å; I129-I133 HydrophobicContact CG2-CD1 3.49Å; I129-I133 VanDerWaalsContact CG2-CD1 3.49Å; I129-I133 HydrophobicContact CG2-CG1 4.19Å; I129-I133 WeakPolarHBondContact O-CD1 3.43Å; I129-I133 VanDerWaalsContact O-CG1 3.29Å; I129-I133 WeakPolarHBondContact O-CG1 3.42Å; I129-I133 PolarHBondContact O-N 3.37Å; I133-L135 VanDerWaalsContact C-N 3.3Å; I133-L135 PolarHBondContact O-N 2.84Å; I133-K136 PolarHBondContact O-N 2.84Å; I133-K136 VanDerWaalsContact O-N 3.12Å; I133-L137 HydrophobicContact CG2-CD1 4.14Å; I133-L137 HydrophobicContact CG2-CG 4.29Å; I133-L137 WeakPolarHBondContact O-CG 3.39Å; I133-L137 PolarHBondContact O-N 3.41Å
134	A	71.2	Confident	63	Low	0 Å²	0	33.9 Å²	33.9	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-55	-46.6	177.5	0	0	0	0	0	111.7	F78 W130 L131 L137 G138 L139 V141	F78-A134 HydrophobicContact CD2-CB 3.88Å; F78-A134 HydrophobicContact CE2-CB 3.72Å; F78-A134 HydrophobicContact CZ-CB 4.23Å; W130-A134 VanDerWaalsContact O-CB 3.26Å; W130-A134 WeakPolarHBondContact O-CB 3.3Å; W130-A134 PolarHBondContact O-N 3.27Å; L131-A134 PolarHBondContact O-N 3.02Å; A134-L137 WeakPolarHBondContact O-CB 3.5Å; A134-L137 PolarHBondContact O-N 3.15Å; A134-G138 PolarHBondContact O-N 3.05Å; A134-L139 HydrophobicContact CB-CB 4.39Å; A134-L139 HydrophobicContact CB-CD1 3.77Å; A134-L139 VanDerWaalsContact O-CB 3.29Å; A134-L139 WeakPolarHBondContact O-CB 3.23Å; A134-L139 WeakPolarHBondContact O-CD1 3.39Å; A134-L139 PolarHBondContact O-N 3.27Å; A134-V141 HydrophobicContact CB-CG2 4.2Å
135	L	66.3	Low	63.1	Low	16 Å²	16	31.4 Å²	31.4	8%	0.084	16%	0.157	C	C	.	.	H	α-helix	trans	-68.7	-37	178.1	-65.9	169.9	0	0	0	112.5	L131 H132 I133 L137 G138 V141 F154 L168	L131-L135 HydrophobicContact CD1-CD1 4.31Å; L131-L135 HydrophobicContact CD1-CG 4.41Å; L131-L135 HydrophobicContact CG-CD1 4.27Å; L131-L135 VanDerWaalsContact O-CG 3.28Å; L131-L135 WeakPolarHBondContact O-CG 3.47Å; L131-L135 PolarHBondContact O-N 3.24Å; H132-L135 PolarHBondContact O-N 3.15Å; I133-L135 VanDerWaalsContact C-N 3.3Å; I133-L135 PolarHBondContact O-N 2.84Å; L135-L137 VanDerWaalsContact C-N 3.29Å; L135-L137 PolarHBondContact O-N 3.08Å; L135-G138 WeakPolarHBondContact O-CA 3.37Å; L135-G138 PolarHBondContact O-N 3.21Å; L135-V141 HydrophobicContact CD2-CG2 4.11Å; L135-F154 HydrophobicContact CD1-CB 4.05Å; L135-F154 HydrophobicContact CD2-CB 4.03Å; L135-L168 HydrophobicContact CD1-CD2 3.25Å; L135-L168 HydrophobicContact CD1-CG 4.49Å
136	K	66.4	Low	62.9	Low	101 Å²	101	34.7 Å²	34.7	44%	0.439	18%	0.175	S	C	.	.	H	α-helix	trans	-63	-35.5	173	-79.8	-172.8	170.5	-177.2	0	112.3	H132 I133 G138 E166	H132-K136 WeakPolarHBondContact NE2-CE 3.43Å; H132-K136 PolarHBondContact NE2-NZ 2.77Å; H132-K136 WeakPolarHBondContact O-CG 3.34Å; H132-K136 PolarHBondContact O-N 3.15Å; I133-K136 PolarHBondContact O-N 2.84Å; I133-K136 VanDerWaalsContact O-N 3.12Å; K136-G138 PolarHBondContact O-N 3.18Å; K136-E166 WeakPolarHBondContact CE-OE1 3.42Å; K136-E166 VanDerWaalsContact NZ-CD 3.35Å; K136-E166 IonicContact NZ-OE1 2.8Å; K136-E166 PolarHBondContact NZ-OE1 2.95Å; K136-E166 IonicContact NZ-OE2 3.08Å; K136-E166 PolarHBondContact NZ-OE2 3.44Å; K136-E166 VanDerWaalsContact NZ-OE2 3.08Å
137	L	67.9	Low	62.3	Low	9 Å²	9	31.8 Å²	31.8	5%	0.047	18%	0.184	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.9	-4.2	171.4	-68.3	176.4	0	0	0	113.3	F78 I81 A82 L87 F88 I133 A134 L135 L139	F78-L137 HydrophobicContact CB-CD1 3.78Å; F78-L137 HydrophobicContact CD1-CD1 3.98Å; F78-L137 HydrophobicContact CG-CD1 4.17Å; I81-L137 HydrophobicContact CB-CD1 4.04Å; I81-L137 HydrophobicContact CB-CD2 4.45Å; I81-L137 HydrophobicContact CG2-CD1 3.89Å; I81-L137 HydrophobicContact CG2-CD2 3.72Å; I81-L137 HydrophobicContact CG2-CG 4.43Å; A82-L137 HydrophobicContact CB-CD2 4.02Å; L87-L137 HydrophobicContact CD2-CD2 4.41Å; F88-L137 HydrophobicContact CD2-CB 4.26Å; F88-L137 HydrophobicContact CE2-CB 4.18Å; F88-L137 HydrophobicContact CE2-CD1 4.18Å; I133-L137 HydrophobicContact CG2-CD1 4.14Å; I133-L137 HydrophobicContact CG2-CG 4.29Å; I133-L137 WeakPolarHBondContact O-CG 3.39Å; I133-L137 PolarHBondContact O-N 3.41Å; A134-L137 WeakPolarHBondContact O-CB 3.5Å; A134-L137 PolarHBondContact O-N 3.15Å; L135-L137 VanDerWaalsContact C-N 3.29Å; L135-L137 PolarHBondContact O-N 3.08Å; L137-L139 HydrophobicContact CB-CD1 4.29Å
138	G	65.3	Low	61.2	Low	19 Å²	19	33 Å²	33	20%	0.196	19%	0.193	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.3	12.2	178	0	0	0	0	0	114.7	A134 L135 K136	A134-G138 PolarHBondContact O-N 3.05Å; L135-G138 WeakPolarHBondContact O-CA 3.37Å; L135-G138 PolarHBondContact O-N 3.21Å; K136-G138 PolarHBondContact O-N 3.18Å
139	L	68.4	Low	60.1	Low	5 Å²	5	36.6 Å²	36.6	3%	0.026	21%	0.208	C	C	.	.			trans	-66.4	136	174.3	-73.4	143.6	0	0	0	110.1	I61 F78 F88 T92 L94 A134 L137 V141	I61-L139 HydrophobicContact CD1-CD2 4.24Å; F78-L139 HydrophobicContact CD1-CD1 3.99Å; F78-L139 HydrophobicContact CE1-CD1 3.55Å; F78-L139 HydrophobicContact CZ-CD1 3.9Å; F88-L139 HydrophobicContact CD2-CD1 4.15Å; F88-L139 HydrophobicContact CD2-CD2 4.16Å; F88-L139 HydrophobicContact CD2-CG 3.86Å; F88-L139 HydrophobicContact CE1-CD2 4.42Å; F88-L139 HydrophobicContact CE2-CD1 3.38Å; F88-L139 HydrophobicContact CE2-CD2 3.79Å; F88-L139 HydrophobicContact CE2-CG 3.55Å; F88-L139 HydrophobicContact CZ-CD1 3.94Å; F88-L139 HydrophobicContact CZ-CD2 3.92Å; F88-L139 HydrophobicContact CZ-CG 4.17Å; T92-L139 HydrophobicContact CG2-CD2 3.58Å; L94-L139 HydrophobicContact CB-CD2 4.36Å; A134-L139 HydrophobicContact CB-CB 4.39Å; A134-L139 HydrophobicContact CB-CD1 3.77Å; A134-L139 VanDerWaalsContact O-CB 3.29Å; A134-L139 WeakPolarHBondContact O-CB 3.23Å; A134-L139 WeakPolarHBondContact O-CD1 3.39Å; A134-L139 PolarHBondContact O-N 3.27Å; L137-L139 HydrophobicContact CB-CD1 4.29Å; L139-V141 HydrophobicContact CB-CG2 4.49Å
140	T	65.2	Low	58.9	Low	13 Å²	13	36.9 Å²	36.9	8%	0.08	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	113	164.6	-65.4	0	0	0	0	108.7	T92 C93 L94 L142 R153 L195	T92-T140 PolarHBondContact O-N 3.38Å; T92-T140 VanDerWaalsContact O-N 3.15Å; C93-T140 CarbonylContact C-O 3.58Å; C93-T140 WeakPolarHBondContact CA-O 3.33Å; L94-T140 PolarHBondContact N-O 3.37Å; T140-L142 HydrophobicContact CG2-CD2 4.07Å; T140-L142 HydrophobicContact CG2-CG 4.32Å; T140-R153 HydrophobicContact CG2-CG 4.34Å; T140-L195 HydrophobicContact CG2-CD1 3.89Å
141	V	64.4	Low	57.6	Low	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	121.1	179.7	-172.7	0	0	0	0	110	L94 L96 L131 A134 L135 L139 F154	L94-V141 HydrophobicContact CB-CG2 4.29Å; L94-V141 HydrophobicContact CD2-CG1 4.16Å; L94-V141 HydrophobicContact CD2-CG2 4.09Å; L94-V141 HydrophobicContact CG-CG1 4.44Å; L94-V141 CarbonylContact O-C 3.53Å; L94-V141 WeakPolarHBondContact O-CA 3.34Å; L96-V141 HydrophobicContact CD1-CG1 3.59Å; L96-V141 HydrophobicContact CG-CG1 4.31Å; L131-V141 HydrophobicContact CD1-CB 4.09Å; L131-V141 HydrophobicContact CD1-CG1 3.95Å; L131-V141 HydrophobicContact CD1-CG2 3.93Å; A134-V141 HydrophobicContact CB-CG2 4.2Å; L135-V141 HydrophobicContact CD2-CG2 4.11Å; L139-V141 HydrophobicContact CB-CG2 4.49Å; V141-F154 HydrophobicContact CB-CB 4.29Å; V141-F154 HydrophobicContact CB-CD2 3.95Å; V141-F154 HydrophobicContact CB-CG 4.48Å; V141-F154 HydrophobicContact CG1-CD2 3.79Å; V141-F154 HydrophobicContact CG1-CE2 4.24Å; V141-F154 PolarHBondContact O-N 3.32Å
142	L	61.8	Low	56.6	Low	8 Å²	8	40.1 Å²	40.1	4%	0.042	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	127.5	177.1	-61.3	-174.4	0	0	0	109.2	C93 L94 I95 L96 T140 W151 T152 R153 L195	C93-L142 VanDerWaalsContact SG-CD1 3.56Å; L94-L142 PolarHBondContact O-N 3.11Å; I95-L142 CarbonylContact C-O 3.36Å; I95-L142 WeakPolarHBondContact CA-O 3.44Å; L96-L142 PolarHBondContact N-O 2.9Å; T140-L142 HydrophobicContact CG2-CD2 4.07Å; T140-L142 HydrophobicContact CG2-CG 4.32Å; L142-W151 HydrophobicContact CD1-CE3 4.34Å; L142-W151 HydrophobicContact CD1-CZ3 4.44Å; L142-W151 HydrophobicContact CD2-CE3 3.75Å; L142-W151 HydrophobicContact CD2-CZ3 3.87Å; L142-T152 WeakPolarHBondContact CA-O 2.9Å; L142-R153 HydrophobicContact CD2-CB 4.01Å; L142-R153 HydrophobicContact CD2-CG 4.01Å; L142-L195 HydrophobicContact CD1-CD2 4.46Å
143	Q	59.6	Low	55.9	Low	6 Å²	6	39.1 Å²	39.1	3%	0.028	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	130.4	170.2	178.1	162.7	62.1	0	0	110.2	L96 P97 W151 T152 F154	L96-Q143 CarbonylContact O-C 3.5Å; L96-Q143 WeakPolarHBondContact O-CA 3.46Å; P97-Q143 PolarHBondContact O-NE2 3.13Å; Q143-W151 WeakPolarHBondContact O-CA 3.31Å; Q143-T152 PolarHBondContact N-O 3.3Å; Q143-T152 PolarHBondContact O-N 2.91Å; Q143-T152 VanDerWaalsContact O-N 3.14Å; Q143-F154 HydrophobicContact CB-CE2 4.24Å
144	V	55.7	Low	55.1	Low	22 Å²	22	38.7 Å²	38.7	13%	0.133	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.8	130.3	-177	-174.8	0	0	0	0	109.2	I95 L96 P97 M98 L204 I206	I95-V144 HydrophobicContact CG2-CG2 3.71Å; L96-V144 PolarHBondContact O-N 3.48Å; P97-V144 CarbonylContact C-O 3.58Å; M98-V144 PolarHBondContact N-O 3.05Å; M98-V144 VanDerWaalsContact N-O 3.08Å; V144-L204 HydrophobicContact CG1-CD2 4.36Å; V144-L204 HydrophobicContact CG2-CD2 4.1Å; V144-I206 HydrophobicContact CG1-CD1 4.41Å
145	C	49.4	Very low	54.2	Low	19 Å²	19	39.8 Å²	39.8	13%	0.128	22%	0.217	C	C	.	.			trans	-99.4	136.2	178.5	-66.9	0	0	0	0	110.7	M98 G147	M98-C145 VanDerWaalsContact CG-SG 3.59Å; C145-G147 PolarHBondContact O-N 3.45Å
146	N	41.6	Very low	53.2	Low	135 Å²	135	41.2 Å²	41.2	72%	0.722	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.5	122.5	168.1	-81.2	-7.3	0	0	0	109.2
147	G	38.6	Very low	51.9	Low	76 Å²	76	39 Å²	39	78%	0.784	22%	0.217	S	C	*	.	T	Hydrogen-bonded Turn	trans	89	-4.9	168.5	0	0	0	0	0	117.4	C145	C145-G147 PolarHBondContact O-N 3.45Å
148	N	34.8	Very low	50.4	Low	105 Å²	105	44.6 Å²	44.6	56%	0.561	24%	0.243	S	C	*	.	S	Bend	trans	-132.3	146.6	-173	-80.6	-32.3	0	0	0	114.7	F150	N148-F150 HydrophobicContact CB-CD2 4.01Å; N148-F150 PolarHBondContact O-N 3.01Å
149	K	41.3	Very low	48.7	Very low	95 Å²	95	45.3 Å²	45.3	41%	0.413	25%	0.245	S	C	.	.	S	Bend	trans	-62.4	13.1	179.1	-68.4	176.7	-175.7	168.3	0	114.8	N175	K149-N175 HydrophobicContact CB-CB 4.48Å; K149-N175 WeakPolarHBondContact CB-ND2 3.46Å; K149-N175 VanDerWaalsContact O-CG 3.3Å; K149-N175 PolarHBondContact O-ND2 3.17Å; K149-N175 PolarHBondContact O-OD1 2.84Å; K149-N175 VanDerWaalsContact O-OD1 3.12Å
150	F	39.3	Very low	46.7	Very low	80 Å²	80	54.4 Å²	54.4	35%	0.351	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	124.7	-172.6	-60.8	-69.7	0	0	0	110.4	N148 L172 N174	N148-F150 HydrophobicContact CB-CD2 4.01Å; N148-F150 PolarHBondContact O-N 3.01Å; F150-L172 HydrophobicContact CD1-CD2 4.44Å; F150-N174 HydrophobicContact CE1-CB 4.13Å; F150-N174 WeakPolarHBondContact CE1-OD1 2.84Å
151	W	48.1	Very low	44.9	Very low	62 Å²	62	56.8 Å²	56.8	24%	0.235	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	136.8	169.7	56	-61.2	0	0	0	107.6	L142 Q143 Y173 N175	L142-W151 HydrophobicContact CD1-CE3 4.34Å; L142-W151 HydrophobicContact CD1-CZ3 4.44Å; L142-W151 HydrophobicContact CD2-CE3 3.75Å; L142-W151 HydrophobicContact CD2-CZ3 3.87Å; Q143-W151 WeakPolarHBondContact O-CA 3.31Å; W151-Y173 HydrophobicContact CH2-CD2 4.22Å; W151-Y173 HydrophobicContact CH2-CG 4.34Å; W151-Y173 HydrophobicContact CZ2-CD2 4.19Å; W151-Y173 AromaticContact CZ2-CG 3.91Å; W151-Y173 HydrophobicContact CZ2-CG 3.91Å; W151-Y173 HydrophobicContact CZ3-CD2 4.44Å; W151-Y173 PolarHBondContact O-N 2.91Å; W151-N175 PolarHBondContact NE1-OD1 3.21Å
152	T	48.9	Very low	43.4	Very low	10 Å²	10	65.5 Å²	65.5	6%	0.061	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	122.3	-174.9	-54.2	0	0	0	0	108.3	L142 Q143 F154 L170	L142-T152 WeakPolarHBondContact CA-O 2.9Å; Q143-T152 PolarHBondContact N-O 3.3Å; Q143-T152 PolarHBondContact O-N 2.91Å; Q143-T152 VanDerWaalsContact O-N 3.14Å; T152-F154 HydrophobicContact CG2-CE2 4.46Å; T152-L170 HydrophobicContact CG2-CD1 3.24Å; T152-L170 HydrophobicContact CG2-CD2 3.32Å; T152-L170 HydrophobicContact CG2-CG 3.3Å
153	R	51.5	Low	41.7	Very low	22 Å²	22	73.9 Å²	73.9	8%	0.083	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.7	125.5	177.7	-175.2	178.1	180	-169.6	3.1	110.5	T140 L142 Q155 N171 Y173 S192	T140-R153 HydrophobicContact CG2-CG 4.34Å; L142-R153 HydrophobicContact CD2-CB 4.01Å; L142-R153 HydrophobicContact CD2-CG 4.01Å; R153-Q155 HydrophobicContact CG-CG 4.37Å; R153-N171 PolarHBondContact N-O 3.01Å; R153-N171 PolarHBondContact O-N 2.84Å; R153-Y173 HydrophobicContact CB-CD2 4.12Å; R153-Y173 HydrophobicContact CB-CE2 3.83Å; R153-S192 PolarHBondContact NH1-OG 3.16Å; R153-S192 PolarHBondContact NH2-OG 2.7Å
154	F	51.9	Low	40.2	Very low	10 Å²	10	76.6 Å²	76.6	4%	0.044	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	139.7	173.2	-58.8	-97.1	0	0	0	110.3	F102 L131 L135 V141 Q143 T152 L170	F102-F154 HydrophobicContact CD1-CE1 4.31Å; F102-F154 HydrophobicContact CD1-CZ 4.33Å; F102-F154 HydrophobicContact CD2-CZ 4.1Å; F102-F154 HydrophobicContact CE1-CE1 4.1Å; F102-F154 HydrophobicContact CE1-CZ 4.28Å; F102-F154 HydrophobicContact CE2-CZ 4.07Å; F102-F154 HydrophobicContact CG-CZ 4.27Å; F102-F154 HydrophobicContact CZ-CE1 4.3Å; F102-F154 HydrophobicContact CZ-CZ 4.18Å; L131-F154 HydrophobicContact CD1-CB 4.2Å; L131-F154 HydrophobicContact CD1-CD1 4.13Å; L131-F154 HydrophobicContact CD1-CD2 4.25Å; L131-F154 HydrophobicContact CD1-CG 3.94Å; L131-F154 HydrophobicContact CD2-CD1 3.51Å; L131-F154 HydrophobicContact CD2-CE1 3.61Å; L131-F154 HydrophobicContact CD2-CG 4.19Å; L131-F154 HydrophobicContact CD2-CZ 4.37Å; L131-F154 HydrophobicContact CG-CD1 4.35Å; L135-F154 HydrophobicContact CD1-CB 4.05Å; L135-F154 HydrophobicContact CD2-CB 4.03Å; V141-F154 HydrophobicContact CB-CB 4.29Å; V141-F154 HydrophobicContact CB-CD2 3.95Å; V141-F154 HydrophobicContact CB-CG 4.48Å; V141-F154 HydrophobicContact CG1-CD2 3.79Å; V141-F154 HydrophobicContact CG1-CE2 4.24Å; V141-F154 PolarHBondContact O-N 3.32Å; Q143-F154 HydrophobicContact CB-CE2 4.24Å; T152-F154 HydrophobicContact CG2-CE2 4.46Å; F154-L170 HydrophobicContact CB-CD1 4.35Å; F154-L170 HydrophobicContact CD1-CD1 3.15Å; F154-L170 HydrophobicContact CD2-CD1 4.03Å; F154-L170 HydrophobicContact CE1-CD1 3.23Å; F154-L170 HydrophobicContact CE2-CD1 4.09Å; F154-L170 HydrophobicContact CG-CD1 3.58Å; F154-L170 HydrophobicContact CZ-CD1 3.72Å
155	Q	51.3	Low	38.8	Very low	23 Å²	23	77.7 Å²	77.7	11%	0.107	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	138.2	-179.7	-58.9	-168.7	-20.3	0	0	110.3	R153 Y169 N171 F188	R153-Q155 HydrophobicContact CG-CG 4.37Å; Q155-Y169 PolarHBondContact N-O 3Å; Q155-Y169 PolarHBondContact O-N 2.96Å; Q155-N171 PolarHBondContact NE2-ND2 3.18Å; Q155-N171 VanDerWaalsContact NE2-ND2 3.16Å; Q155-N171 PolarHBondContact OE1-ND2 3.17Å; Q155-F188 HydrophobicContact CB-CZ 4.22Å; Q155-F188 HydrophobicContact CG-CZ 3.77Å
156	Y	45.8	Very low	37.9	Very low	45 Å²	45	80.5 Å²	80.5	18%	0.176	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.3	126.4	169.9	-173.7	-99.8	0	0	0	108.7	H132 Q158 E166	H132-Y156 AromaticContact CE1-CE2 3.56Å; Y156-Q158 HydrophobicContact CE1-CB 3.98Å; Y156-E166 HydrophobicContact CE2-CB 4.04Å; Y156-E166 HydrophobicContact CE2-CG 4.44Å; Y156-E166 WeakPolarHBondContact OH-CG 3.45Å; Y156-E166 PolarHBondContact OH-OE1 2.92Å; Y156-E166 VanDerWaalsContact OH-OE1 3.06Å
157	T	39.5	Very low	37.6	Very low	55 Å²	55	76.4 Å²	76.4	34%	0.337	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.8	164	72.1	0	0	0	0	109.8	K167 Y169	T157-K167 PolarHBondContact N-O 3.4Å; T157-Y169 HydrophobicContact CG2-CD2 3.93Å; T157-Y169 HydrophobicContact CG2-CE2 4.31Å; T157-Y169 HydrophobicContact CG2-CG 4.44Å; T157-Y169 WeakPolarHBondContact OG1-CD2 3.47Å; T157-Y169 WeakPolarHBondContact OG1-CE2 3.07Å
158	Q	36.2	Very low	37.5	Very low	126 Å²	126	74.1 Å²	74.1	59%	0.589	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.1	110.2	171.1	-164.4	168.8	4.6	0	0	106.8	Y156 M160	Y156-Q158 HydrophobicContact CE1-CB 3.98Å; Q158-M160 PolarHBondContact O-N 3.02Å
159	S	29.6	Very low	37.8	Very low	35 Å²	35	71.6 Å²	71.6	25%	0.245	36%	0.361	C	S	.	.			trans	-70.4	121	172.5	54.9	0	0	0	0	109.1	S161 S165	S159-S161 PolarHBondContact O-N 2.97Å; S159-S165 PolarHBondContact OG-O 2.99Å; S159-S165 PolarHBondContact OG-OG 2.92Å; S159-S165 VanDerWaalsContact OG-OG 3.1Å
160	M	26.1	Very low	37.7	Very low	196 Å²	196	67.7 Å²	67.7	97%	0.966	34%	0.344	S	S	*	.			trans	-73.1	41.9	174.1	-77.6	-81.3	-172.6	0	0	111.8	Q158	Q158-M160 PolarHBondContact O-N 3.02Å
161	S	27.5	Very low	37.7	Very low	63 Å²	63	64.6 Å²	64.6	44%	0.441	33%	0.331	S	S	.	.	S	Bend	trans	-98.8	147	167.7	51.4	0	0	0	0	109.3	S159 F163 A164	S159-S161 PolarHBondContact O-N 2.97Å; S161-F163 CarbonylContact O-C 3.01Å; S161-F163 PolarHBondContact O-N 2.67Å; S161-F163 PolarHBondContact OG-O 3.03Å; S161-A164 PolarHBondContact O-N 2.84Å
162	L	32.6	Very low	37.1	Very low	183 Å²	183	65.5 Å²	65.5	96%	0.958	34%	0.34	S	S	*	.	S	Bend	trans	-50.5	-21.5	179.6	-89.2	109.2	0	0	0	114
163	F	26.9	Very low	36.5	Very low	184 Å²	184	67.1 Å²	67.1	81%	0.807	35%	0.346	S	S	*	.	S	Bend	trans	-98.8	99.3	160.2	-59.1	-81.8	0	0	0	107.9	S161 S165	S161-F163 CarbonylContact O-C 3.01Å; S161-F163 PolarHBondContact O-N 2.67Å; S161-F163 PolarHBondContact OG-O 3.03Å; F163-S165 PolarHBondContact O-N 3.19Å
164	A	26.8	Very low	35.7	Very low	63 Å²	63	69.5 Å²	69.5	52%	0.521	36%	0.36	S	S	.	.			trans	-66.5	83.1	176.4	0	0	0	0	0	109	S161 E166	S161-A164 PolarHBondContact O-N 2.84Å; A164-E166 PolarHBondContact O-N 2.93Å; A164-E166 VanDerWaalsContact O-N 3.16Å
165	S	27.1	Very low	34.9	Very low	45 Å²	45	71.3 Å²	71.3	32%	0.315	37%	0.37	S	S	.	.			trans	-75.9	104.7	169.9	72.5	0	0	0	0	107.3	S159 F163 K167	S159-S165 PolarHBondContact OG-O 2.99Å; S159-S165 PolarHBondContact OG-OG 2.92Å; S159-S165 VanDerWaalsContact OG-OG 3.1Å; F163-S165 PolarHBondContact O-N 3.19Å; S165-K167 PolarHBondContact O-N 3.47Å; S165-K167 VanDerWaalsContact OG-CE 3.31Å; S165-K167 WeakPolarHBondContact OG-CE 3.47Å
166	E	30	Very low	33.8	Very low	77 Å²	77	74.8 Å²	74.8	36%	0.36	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.7	115.5	170.5	-56.4	-167.5	156.9	0	0	107.4	H132 K136 Y156 A164	H132-E166 IonicContact CE1-OE2 2.68Å; H132-E166 PolarHBondContact CE1-OE2 2.89Å; H132-E166 IonicContact NE2-OE2 2.73Å; H132-E166 PolarHBondContact NE2-OE2 2.73Å; K136-E166 WeakPolarHBondContact CE-OE1 3.42Å; K136-E166 VanDerWaalsContact NZ-CD 3.35Å; K136-E166 IonicContact NZ-OE1 2.8Å; K136-E166 PolarHBondContact NZ-OE1 2.95Å; K136-E166 IonicContact NZ-OE2 3.08Å; K136-E166 PolarHBondContact NZ-OE2 3.44Å; K136-E166 VanDerWaalsContact NZ-OE2 3.08Å; Y156-E166 HydrophobicContact CE2-CB 4.04Å; Y156-E166 HydrophobicContact CE2-CG 4.44Å; Y156-E166 WeakPolarHBondContact OH-CG 3.45Å; Y156-E166 PolarHBondContact OH-OE1 2.92Å; Y156-E166 VanDerWaalsContact OH-OE1 3.06Å; A164-E166 PolarHBondContact O-N 2.93Å; A164-E166 VanDerWaalsContact O-N 3.16Å
167	K	35.8	Very low	33	Very low	49 Å²	49	78.5 Å²	78.5	21%	0.213	42%	0.416	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	128	-178.6	-77.4	176.7	-173.8	164.2	0	110.2	T157 S165 Y169	T157-K167 PolarHBondContact N-O 3.4Å; S165-K167 PolarHBondContact O-N 3.47Å; S165-K167 VanDerWaalsContact OG-CE 3.31Å; S165-K167 WeakPolarHBondContact OG-CE 3.47Å; K167-Y169 HydrophobicContact CB-CD2 4.1Å; K167-Y169 HydrophobicContact CB-CE2 3.39Å; K167-Y169 HydrophobicContact CD-CE2 4.35Å; K167-Y169 VanDerWaalsContact O-CD2 3.31Å; K167-Y169 WeakPolarHBondContact O-CD2 3.47Å
168	L	36.6	Very low	32.6	Very low	29 Å²	29	80.3 Å²	80.3	15%	0.152	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	120.2	169.7	-91.1	148.2	0	0	0	108.8	I115 L131 L135	I115-L168 PolarHBondContact N-O 3.37Å; L131-L168 HydrophobicContact CD2-CD2 4.21Å; L131-L168 HydrophobicContact CG-CD2 4.36Å; L135-L168 HydrophobicContact CD1-CD2 3.25Å; L135-L168 HydrophobicContact CD1-CG 4.49Å
169	Y	40.4	Very low	32.5	Very low	52 Å²	52	78.9 Å²	78.9	20%	0.204	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.1	174.2	-73.3	-99.8	0	0	0	109.4	S114 Q155 T157 K167	S114-Y169 VanDerWaalsContact CB-CZ 3.48Å; Q155-Y169 PolarHBondContact N-O 3Å; Q155-Y169 PolarHBondContact O-N 2.96Å; T157-Y169 HydrophobicContact CG2-CD2 3.93Å; T157-Y169 HydrophobicContact CG2-CE2 4.31Å; T157-Y169 HydrophobicContact CG2-CG 4.44Å; T157-Y169 WeakPolarHBondContact OG1-CD2 3.47Å; T157-Y169 WeakPolarHBondContact OG1-CE2 3.07Å; K167-Y169 HydrophobicContact CB-CD2 4.1Å; K167-Y169 HydrophobicContact CB-CE2 3.39Å; K167-Y169 HydrophobicContact CD-CE2 4.35Å; K167-Y169 VanDerWaalsContact O-CD2 3.31Å; K167-Y169 WeakPolarHBondContact O-CD2 3.47Å
170	L	39.1	Very low	32.5	Very low	13 Å²	13	84.4 Å²	84.4	7%	0.068	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	124.9	175	-161.5	78.7	0	0	0	109.4	F107 T152 F154	F107-L170 HydrophobicContact CD1-CD2 3.5Å; F107-L170 VanDerWaalsContact CD1-CD2 3.5Å; F107-L170 HydrophobicContact CD2-CD2 4.19Å; F107-L170 HydrophobicContact CE1-CB 4.27Å; F107-L170 HydrophobicContact CE1-CD2 2.9Å; F107-L170 HydrophobicContact CE1-CG 4.21Å; F107-L170 HydrophobicContact CE2-CD2 3.64Å; F107-L170 HydrophobicContact CG-CD2 4.13Å; F107-L170 HydrophobicContact CZ-CD2 2.96Å; F107-L170 HydrophobicContact CZ-CG 4.39Å; T152-L170 HydrophobicContact CG2-CD1 3.24Å; T152-L170 HydrophobicContact CG2-CD2 3.32Å; T152-L170 HydrophobicContact CG2-CG 3.3Å; F154-L170 HydrophobicContact CB-CD1 4.35Å; F154-L170 HydrophobicContact CD1-CD1 3.15Å; F154-L170 HydrophobicContact CD2-CD1 4.03Å; F154-L170 HydrophobicContact CE1-CD1 3.23Å; F154-L170 HydrophobicContact CE2-CD1 4.09Å; F154-L170 HydrophobicContact CG-CD1 3.58Å; F154-L170 HydrophobicContact CZ-CD1 3.72Å
171	N	40.4	Very low	32.7	Very low	15 Å²	15	84.7 Å²	84.7	8%	0.08	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	112.6	171.7	-66	-10.3	0	0	0	107.9	H112 R153 Q155 Y173	H112-N171 PolarHBondContact CE1-OD1 3.14Å; H112-N171 VanDerWaalsContact CE1-OD1 3.27Å; H112-N171 PolarHBondContact ND1-OD1 3.18Å; R153-N171 PolarHBondContact N-O 3.01Å; R153-N171 PolarHBondContact O-N 2.84Å; Q155-N171 PolarHBondContact NE2-ND2 3.18Å; Q155-N171 VanDerWaalsContact NE2-ND2 3.16Å; Q155-N171 PolarHBondContact OE1-ND2 3.17Å; N171-Y173 HydrophobicContact CB-CD2 4.28Å; N171-Y173 HydrophobicContact CB-CE2 3.64Å
172	L	34.8	Very low	32.7	Very low	80 Å²	80	85.4 Å²	85.4	42%	0.419	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	112.5	168.2	-168.5	88.3	0	0	0	107.1	F150	F150-L172 HydrophobicContact CD1-CD2 4.44Å
173	Y	36.4	Very low	32.4	Very low	45 Å²	45	86.6 Å²	86.6	18%	0.176	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	118	171.9	-69.6	-82.9	0	0	0	108.1	W151 R153 N171	W151-Y173 HydrophobicContact CH2-CD2 4.22Å; W151-Y173 HydrophobicContact CH2-CG 4.34Å; W151-Y173 HydrophobicContact CZ2-CD2 4.19Å; W151-Y173 AromaticContact CZ2-CG 3.91Å; W151-Y173 HydrophobicContact CZ2-CG 3.91Å; W151-Y173 HydrophobicContact CZ3-CD2 4.44Å; W151-Y173 PolarHBondContact O-N 2.91Å; R153-Y173 HydrophobicContact CB-CD2 4.12Å; R153-Y173 HydrophobicContact CB-CE2 3.83Å; N171-Y173 HydrophobicContact CB-CD2 4.28Å; N171-Y173 HydrophobicContact CB-CE2 3.64Å
174	N	34.6	Very low	32.7	Very low	71 Å²	71	85.9 Å²	85.9	38%	0.38	44%	0.436	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	137.4	161.4	-163.3	-2.3	0	0	0	107.2	F150 S176 Q177	F150-N174 HydrophobicContact CE1-CB 4.13Å; F150-N174 WeakPolarHBondContact CE1-OD1 2.84Å; N174-S176 PolarHBondContact O-N 2.78Å; N174-Q177 PolarHBondContact O-N 2.95Å
175	N	35.6	Very low	33	Very low	48 Å²	48	91.2 Å²	91.2	26%	0.257	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-3.7	-170.7	-76.7	-7.4	0	0	0	115.5	K149 W151 Y230	K149-N175 HydrophobicContact CB-CB 4.48Å; K149-N175 WeakPolarHBondContact CB-ND2 3.46Å; K149-N175 VanDerWaalsContact O-CG 3.3Å; K149-N175 PolarHBondContact O-ND2 3.17Å; K149-N175 PolarHBondContact O-OD1 2.84Å; K149-N175 VanDerWaalsContact O-OD1 3.12Å; W151-N175 PolarHBondContact NE1-OD1 3.21Å; N175-Y230 PolarHBondContact ND2-OH 2.89Å; N175-Y230 VanDerWaalsContact ND2-OH 3.13Å
176	S	27.4	Very low	33.8	Very low	96 Å²	96	91.6 Å²	91.6	67%	0.671	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.8	-12.8	179.7	53.1	0	0	0	0	115.5	N174	N174-S176 PolarHBondContact O-N 2.78Å
177	Q	30.1	Very low	34.4	Very low	123 Å²	123	94 Å²	94	58%	0.575	47%	0.47	S	S	*	.			trans	-95.8	107.1	-177.2	-73.1	-174.8	-7.7	0	0	111.9	N174 I179	N174-Q177 PolarHBondContact O-N 2.95Å; Q177-I179 PolarHBondContact O-N 3.46Å
178	S	31	Very low	34.4	Very low	94 Å²	94	95.1 Å²	95.1	66%	0.657	48%	0.475	S	S	*	.			trans	-63.1	130.9	165.3	60.5	0	0	0	0	109.2	Q180	S178-Q180 VanDerWaalsContact C-N 3.29Å; S178-Q180 PolarHBondContact O-N 3.16Å
179	I	33	Very low	34.3	Very low	95 Å²	95	96.4 Å²	96.4	49%	0.487	48%	0.482	S	S	.	.			trans	-68	92.9	176.5	-60	169.8	0	0	0	106.6	Q177 K181 Y196	Q177-I179 PolarHBondContact O-N 3.46Å; I179-K181 PolarHBondContact O-N 2.92Å; I179-K181 VanDerWaalsContact O-N 3.17Å; I179-Y196 HydrophobicContact CD1-CD2 4.28Å
180	Q	29.5	Very low	34.2	Very low	152 Å²	152	100.8 Å²	100.8	71%	0.71	50%	0.502	S	S	*	.			trans	-58.6	123.3	169.8	-75.5	-173	-2.9	0	0	107.7	S178 T182	S178-Q180 VanDerWaalsContact C-N 3.29Å; S178-Q180 PolarHBondContact O-N 3.16Å; Q180-T182 PolarHBondContact O-N 3.37Å
181	K	31	Very low	34.2	Very low	202 Å²	202	104.3 Å²	104.3	88%	0.878	51%	0.514	S	S	*	.			trans	-59.9	78.8	175.6	-71.4	-179.5	178.2	177.9	0	109.6	I179	I179-K181 PolarHBondContact O-N 2.92Å; I179-K181 VanDerWaalsContact O-N 3.17Å
182	T	27.4	Very low	34	Very low	78 Å²	78	104.5 Å²	104.5	48%	0.479	52%	0.517	S	S	.	.			trans	-78.2	129.4	172.7	40.6	0	0	0	0	108.4	Q180 Y184	Q180-T182 PolarHBondContact O-N 3.37Å; T182-Y184 VanDerWaalsContact C-N 3.33Å; T182-Y184 PolarHBondContact O-N 3.29Å
183	K	27.5	Very low	33.8	Very low	207 Å²	207	104 Å²	104	90%	0.9	52%	0.515	S	S	*	.			trans	-67.5	85.8	180	-75.4	179.6	175.7	177.7	0	110.2
184	Y	32.1	Very low	33.9	Very low	169 Å²	169	105.3 Å²	105.3	66%	0.663	52%	0.524	S	S	*	.			trans	-123.1	115.8	164.2	-75.9	-77.9	0	0	0	109.3	T182 S186	T182-Y184 VanDerWaalsContact C-N 3.33Å; T182-Y184 PolarHBondContact O-N 3.29Å; Y184-S186 PolarHBondContact O-N 2.69Å
185	N	34.2	Very low	34.1	Very low	176 Å²	176	103 Å²	103	94%	0.941	51%	0.511	S	S	*	.			trans	-75.3	24.4	-174.9	-93.4	-6.3	0	0	0	114.4
186	S	43.1	Very low	34.2	Very low	52 Å²	52	104.7 Å²	104.7	36%	0.364	52%	0.515	S	S	.	.			trans	-80.7	141.1	-178.4	60.7	0	0	0	0	111.1	Y184 F188 L189 K190	Y184-S186 PolarHBondContact O-N 2.69Å; S186-F188 PolarHBondContact O-N 3.06Å; S186-L189 PolarHBondContact O-N 2.76Å; S186-K190 PolarHBondContact O-N 3.01Å
187	E	41.8	Very low	34.7	Very low	127 Å²	127	106.7 Å²	106.7	59%	0.593	51%	0.514	S	S	*	.	H	α-helix	trans	-45.7	-33.9	167.1	-85.5	-150.1	154.2	0	0	111.7	L189 K190 R191	E187-L189 VanDerWaalsContact C-N 3.32Å; E187-L189 PolarHBondContact O-N 3Å; E187-K190 WeakPolarHBondContact O-CA 3.4Å; E187-K190 WeakPolarHBondContact O-CB 3.37Å; E187-K190 PolarHBondContact O-N 2.99Å; E187-R191 WeakPolarHBondContact O-CG 3.22Å; E187-R191 PolarHBondContact O-N 2.84Å; E187-R191 IonicContact OE2-CZ 2.73Å; E187-R191 IonicContact OE2-NE 3.81Å; E187-R191 IonicContact OE2-NH2 3.09Å; E187-R191 PolarHBondContact OE2-NH2 3.37Å
188	F	36.3	Very low	35.4	Very low	74 Å²	74	103.2 Å²	103.2	33%	0.325	50%	0.497	S	S	.	.	H	α-helix	trans	-55.7	-40.1	176.3	-177.9	-93.9	0	0	0	113.8	Q155 S186 R191 S192	Q155-F188 HydrophobicContact CB-CZ 4.22Å; Q155-F188 HydrophobicContact CG-CZ 3.77Å; S186-F188 PolarHBondContact O-N 3.06Å; F188-R191 PolarHBondContact O-N 2.7Å; F188-S192 PolarHBondContact O-N 2.83Å; F188-S192 PolarHBondContact O-OG 3.16Å
189	L	35.1	Very low	36	Very low	55 Å²	55	100 Å²	100	29%	0.288	47%	0.471	S	S	.	.	H	α-helix	trans	-72.3	-36.5	174.8	-149.6	102.8	0	0	0	110.9	S186 E187 R191 S192 L193	S186-L189 PolarHBondContact O-N 2.76Å; E187-L189 VanDerWaalsContact C-N 3.32Å; E187-L189 PolarHBondContact O-N 3Å; L189-R191 VanDerWaalsContact C-N 3.3Å; L189-R191 PolarHBondContact O-N 3.17Å; L189-S192 WeakPolarHBondContact O-CB 3.08Å; L189-S192 PolarHBondContact O-N 3.2Å; L189-L193 HydrophobicContact CD2-CD1 3.67Å; L189-L193 HydrophobicContact CG-CD1 4.27Å; L189-L193 VanDerWaalsContact O-CB 3.32Å; L189-L193 WeakPolarHBondContact O-CB 3.45Å; L189-L193 PolarHBondContact O-N 2.85Å
190	K	37.8	Very low	36.4	Very low	145 Å²	145	96.1 Å²	96.1	63%	0.63	45%	0.454	S	S	*	.	H	α-helix	trans	-57.8	-43.6	172.4	-65.5	-176.9	179.3	177.6	0	111.1	S186 E187 L193 L194	S186-K190 PolarHBondContact O-N 3.01Å; E187-K190 WeakPolarHBondContact O-CA 3.4Å; E187-K190 WeakPolarHBondContact O-CB 3.37Å; E187-K190 PolarHBondContact O-N 2.99Å; K190-L193 PolarHBondContact O-N 3.23Å; K190-L194 WeakPolarHBondContact O-CB 3.41Å; K190-L194 WeakPolarHBondContact O-CG 3.36Å; K190-L194 PolarHBondContact O-N 2.77Å
191	R	39.8	Very low	36.9	Very low	86 Å²	86	90.9 Å²	90.9	33%	0.325	43%	0.433	S	S	.	.	H	α-helix	trans	-65.5	-39.2	176.5	-61.6	-172.5	-168.1	-173.2	4.8	112.4	C91 E187 F188 L189 L194 L195	C91-R191 VanDerWaalsContact SG-CG 3.6Å; E187-R191 WeakPolarHBondContact O-CG 3.22Å; E187-R191 PolarHBondContact O-N 2.84Å; E187-R191 IonicContact OE2-CZ 2.73Å; E187-R191 IonicContact OE2-NE 3.81Å; E187-R191 IonicContact OE2-NH2 3.09Å; E187-R191 PolarHBondContact OE2-NH2 3.37Å; F188-R191 PolarHBondContact O-N 2.7Å; L189-R191 VanDerWaalsContact C-N 3.3Å; L189-R191 PolarHBondContact O-N 3.17Å; R191-L194 PolarHBondContact O-N 2.88Å; R191-L195 PolarHBondContact O-N 2.77Å; R191-L195 VanDerWaalsContact O-N 3.11Å
192	S	35.2	Very low	37.4	Very low	20 Å²	20	81.8 Å²	81.8	14%	0.14	40%	0.396	C	S	.	.	H	α-helix	trans	-66.7	-43.3	175.7	-54.9	0	0	0	0	112.3	R153 F188 L189 L195 Y196	R153-S192 PolarHBondContact NH1-OG 3.16Å; R153-S192 PolarHBondContact NH2-OG 2.7Å; F188-S192 PolarHBondContact O-N 2.83Å; F188-S192 PolarHBondContact O-OG 3.16Å; L189-S192 WeakPolarHBondContact O-CB 3.08Å; L189-S192 PolarHBondContact O-N 3.2Å; S192-L195 PolarHBondContact O-N 2.88Å; S192-Y196 WeakPolarHBondContact O-CB 3.49Å; S192-Y196 PolarHBondContact O-N 3.13Å
193	L	32	Very low	38	Very low	70 Å²	70	80.3 Å²	80.3	37%	0.366	38%	0.384	S	S	.	.	H	α-helix	trans	-62.7	-42.6	174.4	-90.7	152.3	0	0	0	110.9	L189 K190 L195 Y196 E197	L189-L193 HydrophobicContact CD2-CD1 3.67Å; L189-L193 HydrophobicContact CG-CD1 4.27Å; L189-L193 VanDerWaalsContact O-CB 3.32Å; L189-L193 WeakPolarHBondContact O-CB 3.45Å; L189-L193 PolarHBondContact O-N 2.85Å; K190-L193 PolarHBondContact O-N 3.23Å; L193-L195 VanDerWaalsContact C-N 3.29Å; L193-L195 PolarHBondContact O-N 3.44Å; L193-Y196 CarbonylContact O-C 3.51Å; L193-Y196 WeakPolarHBondContact O-CA 3.41Å; L193-Y196 WeakPolarHBondContact O-CB 3.25Å; L193-Y196 PolarHBondContact O-N 3.19Å; L193-Y196 VanDerWaalsContact O-N 3.16Å; L193-E197 WeakPolarHBondContact O-CB 3.26Å; L193-E197 WeakPolarHBondContact O-CG 2.96Å; L193-E197 PolarHBondContact O-N 2.91Å
194	L	37.3	Very low	39	Very low	71 Å²	71	71.6 Å²	71.6	37%	0.372	35%	0.347	S	S	.	.	H	α-helix	trans	-61.1	-37.8	174.6	-84.9	158.8	0	0	0	112.3	C91 K190 R191 E197 K198	C91-L194 HydrophobicContact CB-CB 4.43Å; K190-L194 WeakPolarHBondContact O-CB 3.41Å; K190-L194 WeakPolarHBondContact O-CG 3.36Å; K190-L194 PolarHBondContact O-N 2.77Å; R191-L194 PolarHBondContact O-N 2.88Å; L194-E197 PolarHBondContact O-N 3.24Å; L194-K198 VanDerWaalsContact O-CB 3.23Å; L194-K198 WeakPolarHBondContact O-CB 3.23Å; L194-K198 WeakPolarHBondContact O-CG 3.41Å; L194-K198 PolarHBondContact O-N 3.34Å
195	L	40.1	Very low	39.5	Very low	22 Å²	22	67.1 Å²	67.1	12%	0.115	33%	0.331	C	S	.	.	H	α-helix	trans	-70.1	-39.4	176	-157.3	140.7	0	0	0	110.9	C93 T140 L142 R191 S192 L193 K198 F199	C93-L195 HydrophobicContact CB-CD1 3.66Å; T140-L195 HydrophobicContact CG2-CD1 3.89Å; L142-L195 HydrophobicContact CD1-CD2 4.46Å; R191-L195 PolarHBondContact O-N 2.77Å; R191-L195 VanDerWaalsContact O-N 3.11Å; S192-L195 PolarHBondContact O-N 2.88Å; L193-L195 VanDerWaalsContact C-N 3.29Å; L193-L195 PolarHBondContact O-N 3.44Å; L195-K198 PolarHBondContact O-N 3.37Å; L195-F199 HydrophobicContact CD2-CD2 3.93Å; L195-F199 HydrophobicContact CD2-CE2 4.4Å; L195-F199 HydrophobicContact CG-CD2 3.95Å; L195-F199 HydrophobicContact CG-CE2 4.2Å; L195-F199 WeakPolarHBondContact O-CB 3.06Å; L195-F199 WeakPolarHBondContact O-CD2 3.39Å; L195-F199 PolarHBondContact O-N 2.82Å
196	Y	36.4	Very low	39.8	Very low	84 Å²	84	61.2 Å²	61.2	33%	0.329	30%	0.299	S	S	.	.	H	α-helix	trans	-63.6	-40.7	171.2	-173.1	-75.5	0	0	0	112.2	I179 S192 L193 K198 G200 V201	I179-Y196 HydrophobicContact CD1-CD2 4.28Å; S192-Y196 WeakPolarHBondContact O-CB 3.49Å; S192-Y196 PolarHBondContact O-N 3.13Å; L193-Y196 CarbonylContact O-C 3.51Å; L193-Y196 WeakPolarHBondContact O-CA 3.41Å; L193-Y196 WeakPolarHBondContact O-CB 3.25Å; L193-Y196 PolarHBondContact O-N 3.19Å; L193-Y196 VanDerWaalsContact O-N 3.16Å; Y196-K198 VanDerWaalsContact C-N 3.34Å; Y196-G200 WeakPolarHBondContact O-CA 3.34Å; Y196-G200 PolarHBondContact O-N 3.09Å; Y196-V201 HydrophobicContact CD2-CG2 3.96Å; Y196-V201 HydrophobicContact CE2-CB 4.4Å; Y196-V201 HydrophobicContact CE2-CG2 3.09Å; Y196-V201 WeakPolarHBondContact OH-CG2 3.16Å
197	E	39.3	Very low	39.6	Very low	139 Å²	139	62.3 Å²	62.3	65%	0.65	30%	0.3	S	S	*	.	H	α-helix	trans	-68.6	-35.7	175.3	-75.9	172.8	176.9	0	0	110.8	L193 L194	L193-E197 WeakPolarHBondContact O-CB 3.26Å; L193-E197 WeakPolarHBondContact O-CG 2.96Å; L193-E197 PolarHBondContact O-N 2.91Å; L194-E197 PolarHBondContact O-N 3.24Å
198	K	44.3	Very low	39.3	Very low	50 Å²	50	60.2 Å²	60.2	22%	0.217	30%	0.297	C	S	.	.	H	α-helix	trans	-71.6	-41.2	178.6	-80.2	177.5	176.8	-165.7	0	113	Y36 D59 C91 L194 L195 Y196 K246	Y36-K198 HydrophobicContact CE2-CD 4.16Å; D59-K198 IonicContact OD1-NZ 3.88Å; D59-K198 PolarHBondContact OD1-NZ 2.92Å; C91-K198 PolarHBondContact O-NZ 3.27Å; L194-K198 VanDerWaalsContact O-CB 3.23Å; L194-K198 WeakPolarHBondContact O-CB 3.23Å; L194-K198 WeakPolarHBondContact O-CG 3.41Å; L194-K198 PolarHBondContact O-N 3.34Å; L195-K198 PolarHBondContact O-N 3.37Å; Y196-K198 VanDerWaalsContact C-N 3.34Å; K198-K246 PolarHBondContact O-NZ 2.92Å
199	F	42.9	Very low	39.2	Very low	25 Å²	25	59.5 Å²	59.5	11%	0.11	30%	0.297	C	S	.	.	H	α-helix	trans	-112.1	-26.4	-172.7	-70.1	-76.7	0	0	0	114.7	Y36 V60 C93 L195 W227	Y36-F199 WeakPolarHBondContact OH-CE1 3.49Å; Y36-F199 VanDerWaalsContact OH-CE2 3.31Å; Y36-F199 WeakPolarHBondContact OH-CE2 3.18Å; Y36-F199 WeakPolarHBondContact OH-CZ 3.35Å; V60-F199 HydrophobicContact CG1-CZ 4.33Å; V60-F199 HydrophobicContact CG2-CE1 4.39Å; V60-F199 HydrophobicContact CG2-CE2 4.23Å; V60-F199 HydrophobicContact CG2-CZ 3.49Å; V60-F199 VanDerWaalsContact CG2-CZ 3.49Å; C93-F199 HydrophobicContact CB-CE2 4.32Å; L195-F199 HydrophobicContact CD2-CD2 3.93Å; L195-F199 HydrophobicContact CD2-CE2 4.4Å; L195-F199 HydrophobicContact CG-CD2 3.95Å; L195-F199 HydrophobicContact CG-CE2 4.2Å; L195-F199 WeakPolarHBondContact O-CB 3.06Å; L195-F199 WeakPolarHBondContact O-CD2 3.39Å; L195-F199 PolarHBondContact O-N 2.82Å; F199-W227 HydrophobicContact CB-CH2 4.39Å; F199-W227 HydrophobicContact CB-CZ2 3.69Å; F199-W227 HydrophobicContact CD1-CD2 4.26Å; F199-W227 HydrophobicContact CG-CZ2 4.41Å; F199-W227 PolarHBondContact O-NE1 2.89Å
200	G	41.5	Very low	39	Very low	14 Å²	14	61.8 Å²	61.8	14%	0.144	31%	0.314	C	S	.	.			trans	74	173.1	-162.9	0	0	0	0	0	112.1	Y196	Y196-G200 WeakPolarHBondContact O-CA 3.34Å; Y196-G200 PolarHBondContact O-N 3.09Å
201	V	40	Very low	38.8	Very low	43 Å²	43	57.1 Å²	57.1	26%	0.261	30%	0.298	S	S	.	.	S	Bend	trans	-66.7	134.8	156.3	-169.4	0	0	0	0	106.2	Y196 P229 Y230	Y196-V201 HydrophobicContact CD2-CG2 3.96Å; Y196-V201 HydrophobicContact CE2-CB 4.4Å; Y196-V201 HydrophobicContact CE2-CG2 3.09Å; Y196-V201 WeakPolarHBondContact OH-CG2 3.16Å; V201-P229 CarbonylContact O-C 3.45Å; V201-P229 VanDerWaalsContact O-CA 3.23Å; V201-P229 WeakPolarHBondContact O-CA 3.33Å; V201-Y230 HydrophobicContact CG1-CD2 4.15Å; V201-Y230 PolarHBondContact O-N 3.04Å
202	G	42.4	Very low	38.3	Very low	10 Å²	10	56 Å²	56	10%	0.103	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.8	171.4	-179.7	0	0	0	0	0	114.4	I228 Y230	G202-I228 CarbonylContact C-O 3.54Å; G202-I228 VanDerWaalsContact C-O 3.31Å; G202-I228 WeakPolarHBondContact CA-O 3.49Å; G202-Y230 VanDerWaalsContact C-CE2 3.44Å
203	Q	40.2	Very low	38	Very low	47 Å²	47	66.1 Å²	66.1	22%	0.22	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	124.1	171.1	-157.7	175.9	-0.2	0	0	109.6	K205 I228 Y230	Q203-K205 HydrophobicContact CG-CG 4.27Å; Q203-K205 PolarHBondContact O-N 3.05Å; Q203-I228 HydrophobicContact CB-CB 4.37Å; Q203-I228 PolarHBondContact N-O 2.91Å; Q203-I228 PolarHBondContact O-N 2.79Å; Q203-Y230 HydrophobicContact CB-CE1 4.46Å; Q203-Y230 HydrophobicContact CB-CE2 3.67Å; Q203-Y230 WeakPolarHBondContact CB-OH 3.16Å; Q203-Y230 VanDerWaalsContact CD-OH 3.24Å; Q203-Y230 HydrophobicContact CG-CE2 4.43Å; Q203-Y230 WeakPolarHBondContact CG-OH 3.47Å; Q203-Y230 PolarHBondContact OE1-OH 3.34Å
204	L	46.5	Very low	37.8	Very low	25 Å²	25	65.4 Å²	65.4	13%	0.131	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	111.1	160.9	-171.2	68	0	0	0	108.4	I95 V144 I206 F225 W227	I95-L204 HydrophobicContact CD1-CD2 4.49Å; I95-L204 HydrophobicContact CG2-CD2 3.95Å; V144-L204 HydrophobicContact CG1-CD2 4.36Å; V144-L204 HydrophobicContact CG2-CD2 4.1Å; L204-I206 HydrophobicContact CD2-CG1 4.45Å; L204-I206 HydrophobicContact CG-CG1 4.37Å; L204-F225 HydrophobicContact CD1-CB 4.49Å; L204-F225 HydrophobicContact CD1-CD1 4.33Å; L204-F225 HydrophobicContact CD2-CD1 4.42Å; L204-W227 HydrophobicContact CB-CE3 3.7Å; L204-W227 HydrophobicContact CB-CZ3 3.86Å; L204-W227 HydrophobicContact CD1-CB 4.43Å; L204-W227 HydrophobicContact CD1-CE3 3.89Å; L204-W227 HydrophobicContact CG-CE3 4.32Å
205	K	43.1	Very low	37.5	Very low	75 Å²	75	66.4 Å²	66.4	33%	0.326	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	127.1	167.6	-75	-166.8	179.9	-178.2	0	109.4	Q203 T226 I228	Q203-K205 HydrophobicContact CG-CG 4.27Å; Q203-K205 PolarHBondContact O-N 3.05Å; K205-T226 PolarHBondContact N-O 2.86Å; K205-T226 PolarHBondContact O-N 3.34Å; K205-I228 HydrophobicContact CD-CD1 3.83Å; K205-I228 HydrophobicContact CG-CD1 4.14Å
206	I	41.6	Very low	37.1	Very low	51 Å²	51	72.2 Å²	72.2	26%	0.262	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	112	173.5	-53.8	177.6	0	0	0	106.1	V144 L204 V223 L224 F225	V144-I206 HydrophobicContact CG1-CD1 4.41Å; L204-I206 HydrophobicContact CD2-CG1 4.45Å; L204-I206 HydrophobicContact CG-CG1 4.37Å; I206-V223 HydrophobicContact CG2-CG1 3.3Å; I206-L224 CarbonylContact C-O 3.55Å; I206-L224 WeakPolarHBondContact CA-O 3.2Å; I206-F225 HydrophobicContact CB-CE1 4.41Å; I206-F225 HydrophobicContact CD1-CD1 4.31Å; I206-F225 HydrophobicContact CD1-CE1 3.69Å; I206-F225 HydrophobicContact CG1-CD1 3.84Å; I206-F225 HydrophobicContact CG1-CE1 3.65Å; I206-F225 HydrophobicContact CG2-CD1 4.49Å; I206-F225 HydrophobicContact CG2-CE1 3.98Å; I206-F225 HydrophobicContact CG2-CZ 4.15Å
207	L	38.1	Very low	36.8	Very low	75 Å²	75	73 Å²	73	39%	0.393	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	119.2	179.9	-72	169.4	0	0	0	109.4	I209 L224	L207-I209 PolarHBondContact O-N 2.7Å; L207-L224 HydrophobicContact CB-CB 4.14Å; L207-L224 HydrophobicContact CB-CD2 4.37Å; L207-L224 HydrophobicContact CD1-CD2 4.16Å; L207-L224 PolarHBondContact N-O 3.04Å; L207-L224 WeakPolarHBondContact O-CB 3.36Å; L207-L224 PolarHBondContact O-N 2.77Å
208	P	35.8	Very low	36.4	Very low	83 Å²	83	69.5 Å²	69.5	54%	0.539	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	125.6	167.3	27.9	-30.8	0	0	0	108.2	P210 Y221 S222	P208-P210 WeakPolarHBondContact O-CD 3.23Å; P208-Y221 HydrophobicContact CB-CD1 4.4Å; P208-S222 CarbonylContact C-O 3.6Å
209	I	35.1	Very low	35.6	Very low	60 Å²	60	70.2 Å²	70.2	31%	0.308	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	106.2	165.9	-57.9	170	0	0	0	105.6	L207 T211 S222 L224	L207-I209 PolarHBondContact O-N 2.7Å; I209-T211 PolarHBondContact O-N 3.06Å; I209-T211 VanDerWaalsContact O-N 3.15Å; I209-S222 WeakPolarHBondContact CA-O 3.43Å; I209-S222 WeakPolarHBondContact CB-O 3.5Å; I209-S222 PolarHBondContact N-O 2.85Å; I209-S222 PolarHBondContact O-N 2.8Å; I209-L224 HydrophobicContact CD1-CB 4.12Å; I209-L224 HydrophobicContact CG1-CB 4.11Å
210	P	30.9	Very low	35	Very low	102 Å²	102	69.7 Å²	69.7	66%	0.662	41%	0.407	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.1	120.2	173.3	23.7	-30.5	0	0	0	108.4	P208 G212	P208-P210 WeakPolarHBondContact O-CD 3.23Å; P210-G212 PolarHBondContact O-N 2.88Å
211	T	33.6	Very low	34.4	Very low	47 Å²	47	74.9 Å²	74.9	29%	0.288	42%	0.422	S	S	.	.			trans	-61.3	113.5	170.5	50.4	0	0	0	0	107.2	I209 Y213 S220	I209-T211 PolarHBondContact O-N 3.06Å; I209-T211 VanDerWaalsContact O-N 3.15Å; T211-Y213 PolarHBondContact O-N 3.28Å; T211-S220 WeakPolarHBondContact CG2-O 3.35Å; T211-S220 PolarHBondContact OG1-O 3.37Å
212	G	29.1	Very low	34.2	Very low	63 Å²	63	73.7 Å²	73.7	65%	0.649	42%	0.416	S	S	*	.			trans	-55.6	109.2	-179.9	0	0	0	0	0	109.7	P210 V214	P210-G212 PolarHBondContact O-N 2.88Å; G212-V214 VanDerWaalsContact C-N 3.34Å; G212-V214 PolarHBondContact O-N 3.33Å
213	Y	28.3	Very low	34	Very low	233 Å²	233	74.4 Å²	74.4	91%	0.914	42%	0.419	S	S	*	.			trans	16.1	66.1	168.9	-79.1	-90.1	0	0	0	116	T211 A215	T211-Y213 PolarHBondContact O-N 3.28Å; Y213-A215 PolarHBondContact O-N 3.03Å
214	V	27	Very low	34.2	Very low	55 Å²	55	73.3 Å²	73.3	33%	0.333	41%	0.414	S	S	.	.			trans	-85.6	96	160.3	-166.7	0	0	0	0	105.6	G212 N216 H217 E282	G212-V214 VanDerWaalsContact C-N 3.34Å; G212-V214 PolarHBondContact O-N 3.33Å; V214-N216 PolarHBondContact O-N 3.02Å; V214-H217 PolarHBondContact O-N 3.08Å; V214-E282 WeakPolarHBondContact CG2-OE1 3.38Å
215	A	32.1	Very low	34.3	Very low	91 Å²	91	72.6 Å²	72.6	75%	0.752	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-4	-163	0	0	0	0	0	116.7	Y213	Y213-A215 PolarHBondContact O-N 3.03Å
216	N	31.2	Very low	34.4	Very low	145 Å²	145	69.9 Å²	69.9	78%	0.775	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-133.2	9.7	-173.9	-73.2	-24.7	0	0	0	115.5	V214	V214-N216 PolarHBondContact O-N 3.02Å
217	H	30.6	Very low	34.6	Very low	100 Å²	100	68.8 Å²	68.8	46%	0.463	39%	0.392	S	S	.	.	S	Bend	trans	-113.7	108.1	173.4	-63	-60.4	0	0	0	109	V214 S219	V214-H217 PolarHBondContact O-N 3.08Å; H217-S219 PolarHBondContact O-N 2.93Å
218	S	29.7	Very low	34.9	Very low	65 Å²	65	67.2 Å²	67.2	46%	0.455	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.6	100.5	174.7	34.2	0	0	0	0	110.2	S220 S256	S218-S220 PolarHBondContact O-N 3.13Å; S218-S256 VanDerWaalsContact CB-OG 3.23Å; S218-S256 WeakPolarHBondContact CB-OG 3.28Å; S218-S256 PolarHBondContact O-OG 3.47Å; S218-S256 PolarHBondContact OG-OG 2.89Å
219	S	28.6	Very low	34.9	Very low	65 Å²	65	64.6 Å²	64.6	46%	0.455	37%	0.367	S	S	.	.	T	Hydrogen-bonded Turn	trans	49.5	62.1	159.6	59.5	0	0	0	0	116.2	H217	H217-S219 PolarHBondContact O-N 2.93Å
220	S	28.8	Very low	35.1	Very low	15 Å²	15	65.1 Å²	65.1	11%	0.105	37%	0.366	C	S	.	.			trans	-80.2	126.4	157.8	41.8	0	0	0	0	109.1	T211 S218	T211-S220 WeakPolarHBondContact CG2-O 3.35Å; T211-S220 PolarHBondContact OG1-O 3.37Å; S218-S220 PolarHBondContact O-N 3.13Å
221	Y	29.4	Very low	35.3	Very low	122 Å²	122	64.1 Å²	64.1	48%	0.478	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	121.5	172.6	-67.3	-83.2	0	0	0	109.1	P208 V252	P208-Y221 HydrophobicContact CB-CD1 4.4Å; Y221-V252 CarbonylContact C-O 3.59Å; Y221-V252 WeakPolarHBondContact O-CB 3.46Å
222	S	35.9	Very low	35.2	Very low	19 Å²	19	65.9 Å²	65.9	13%	0.133	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	139.6	164.7	-66.5	0	0	0	0	108.1	P208 I209 Y250 S251	P208-S222 CarbonylContact C-O 3.6Å; I209-S222 WeakPolarHBondContact CA-O 3.43Å; I209-S222 WeakPolarHBondContact CB-O 3.5Å; I209-S222 PolarHBondContact N-O 2.85Å; I209-S222 PolarHBondContact O-N 2.8Å; S222-Y250 CarbonylContact C-O 3.54Å; S222-S251 VanDerWaalsContact OG-CA 3.27Å; S222-S251 WeakPolarHBondContact OG-CA 3.24Å; S222-S251 VanDerWaalsContact OG-CB 3.26Å; S222-S251 WeakPolarHBondContact OG-CB 3.24Å
223	V	38.9	Very low	35.4	Very low	25 Å²	25	71.5 Å²	71.5	15%	0.152	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	121.7	-177.3	-177.9	0	0	0	0	109	I206 F225 Y250 V252	I206-V223 HydrophobicContact CG2-CG1 3.3Å; V223-F225 HydrophobicContact CB-CE2 4.01Å; V223-F225 HydrophobicContact CG1-CD2 4.11Å; V223-F225 HydrophobicContact CG1-CE1 4.48Å; V223-F225 HydrophobicContact CG1-CE2 3.49Å; V223-F225 VanDerWaalsContact CG1-CE2 3.49Å; V223-F225 HydrophobicContact CG1-CZ 3.67Å; V223-Y250 CarbonylContact C-O 3.47Å; V223-Y250 PolarHBondContact N-O 2.86Å; V223-Y250 PolarHBondContact O-N 2.99Å; V223-V252 HydrophobicContact CG2-CG2 4.28Å
224	L	44.7	Very low	35.4	Very low	23 Å²	23	66.7 Å²	66.7	12%	0.12	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	124.8	174.4	179.3	67.1	0	0	0	109.5	I206 L207 I209 V247 F249	I206-L224 CarbonylContact C-O 3.55Å; I206-L224 WeakPolarHBondContact CA-O 3.2Å; L207-L224 HydrophobicContact CB-CB 4.14Å; L207-L224 HydrophobicContact CB-CD2 4.37Å; L207-L224 HydrophobicContact CD1-CD2 4.16Å; L207-L224 PolarHBondContact N-O 3.04Å; L207-L224 WeakPolarHBondContact O-CB 3.36Å; L207-L224 PolarHBondContact O-N 2.77Å; I209-L224 HydrophobicContact CD1-CB 4.12Å; I209-L224 HydrophobicContact CG1-CB 4.11Å; L224-V247 HydrophobicContact CD1-CG1 3.69Å; L224-F249 HydrophobicContact CD1-CD1 3.35Å; L224-F249 HydrophobicContact CD1-CD2 4.41Å; L224-F249 HydrophobicContact CD1-CE1 3.42Å; L224-F249 VanDerWaalsContact CD1-CE1 3.42Å; L224-F249 HydrophobicContact CD1-CE2 4.46Å; L224-F249 HydrophobicContact CD1-CG 3.88Å; L224-F249 HydrophobicContact CD1-CZ 4Å
225	F	47.6	Very low	35.7	Very low	11 Å²	11	68.8 Å²	68.8	5%	0.048	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	107.7	173	-72.3	-86.2	0	0	0	109.3	I62 L64 L204 I206 V223 F248	I62-F225 HydrophobicContact CG2-CE1 4.2Å; I62-F225 HydrophobicContact CG2-CZ 4.41Å; L64-F225 HydrophobicContact CD2-CE1 4.24Å; L64-F225 HydrophobicContact CD2-CE2 3.51Å; L64-F225 HydrophobicContact CD2-CZ 3.17Å; L204-F225 HydrophobicContact CD1-CB 4.49Å; L204-F225 HydrophobicContact CD1-CD1 4.33Å; L204-F225 HydrophobicContact CD2-CD1 4.42Å; I206-F225 HydrophobicContact CB-CE1 4.41Å; I206-F225 HydrophobicContact CD1-CD1 4.31Å; I206-F225 HydrophobicContact CD1-CE1 3.69Å; I206-F225 HydrophobicContact CG1-CD1 3.84Å; I206-F225 HydrophobicContact CG1-CE1 3.65Å; I206-F225 HydrophobicContact CG2-CD1 4.49Å; I206-F225 HydrophobicContact CG2-CE1 3.98Å; I206-F225 HydrophobicContact CG2-CZ 4.15Å; V223-F225 HydrophobicContact CB-CE2 4.01Å; V223-F225 HydrophobicContact CG1-CD2 4.11Å; V223-F225 HydrophobicContact CG1-CE1 4.48Å; V223-F225 HydrophobicContact CG1-CE2 3.49Å; V223-F225 VanDerWaalsContact CG1-CE2 3.49Å; V223-F225 HydrophobicContact CG1-CZ 3.67Å; F225-F248 HydrophobicContact CB-CB 4.06Å; F225-F248 PolarHBondContact N-O 3.17Å; F225-F248 WeakPolarHBondContact O-CA 3.41Å; F225-F248 WeakPolarHBondContact O-CB 3.38Å; F225-F248 PolarHBondContact O-N 3.29Å; F225-F248 VanDerWaalsContact O-O 3.12Å
226	T	45.5	Very low	35.6	Very low	18 Å²	18	71.5 Å²	71.5	11%	0.11	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	114.6	178.1	-55.2	0	0	0	0	109.5	K205 I228 V245 V247	K205-T226 PolarHBondContact N-O 2.86Å; K205-T226 PolarHBondContact O-N 3.34Å; T226-I228 HydrophobicContact CG2-CD1 4.39Å; T226-I228 HydrophobicContact CG2-CG1 3.78Å; T226-V245 HydrophobicContact CG2-CG1 3.75Å; T226-V247 HydrophobicContact CG2-CG2 4.19Å
227	W	46.4	Very low	35.6	Very low	27 Å²	27	69.5 Å²	69.5	10%	0.102	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.3	111.3	169.9	-174.7	-88.1	0	0	0	109.7	F199 L204 P229 V245 K246	F199-W227 HydrophobicContact CB-CH2 4.39Å; F199-W227 HydrophobicContact CB-CZ2 3.69Å; F199-W227 HydrophobicContact CD1-CD2 4.26Å; F199-W227 HydrophobicContact CG-CZ2 4.41Å; F199-W227 PolarHBondContact O-NE1 2.89Å; L204-W227 HydrophobicContact CB-CE3 3.7Å; L204-W227 HydrophobicContact CB-CZ3 3.86Å; L204-W227 HydrophobicContact CD1-CB 4.43Å; L204-W227 HydrophobicContact CD1-CE3 3.89Å; L204-W227 HydrophobicContact CG-CE3 4.32Å; W227-P229 WeakPolarHBondContact O-CD 3.25Å; W227-V245 WeakPolarHBondContact O-CG1 3.31Å; W227-K246 PolarHBondContact N-O 3.14Å; W227-K246 PolarHBondContact O-N 2.97Å
228	I	43.1	Very low	35.7	Very low	42 Å²	42	72 Å²	72	22%	0.215	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	103.6	-178.7	-53.7	176.6	0	0	0	108.1	G202 Q203 K205 T226 Y230 V245	G202-I228 CarbonylContact C-O 3.54Å; G202-I228 VanDerWaalsContact C-O 3.31Å; G202-I228 WeakPolarHBondContact CA-O 3.49Å; Q203-I228 HydrophobicContact CB-CB 4.37Å; Q203-I228 PolarHBondContact N-O 2.91Å; Q203-I228 PolarHBondContact O-N 2.79Å; K205-I228 HydrophobicContact CD-CD1 3.83Å; K205-I228 HydrophobicContact CG-CD1 4.14Å; T226-I228 HydrophobicContact CG2-CD1 4.39Å; T226-I228 HydrophobicContact CG2-CG1 3.78Å; I228-Y230 PolarHBondContact O-N 2.68Å; I228-V245 HydrophobicContact CG1-CG1 4.4Å
229	P	37.3	Very low	35.7	Very low	29 Å²	29	75.8 Å²	75.8	19%	0.188	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.7	134.3	174.1	26.5	-32.1	0	0	0	110.6	V201 W227 N243	V201-P229 CarbonylContact O-C 3.45Å; V201-P229 VanDerWaalsContact O-CA 3.23Å; V201-P229 WeakPolarHBondContact O-CA 3.33Å; W227-P229 WeakPolarHBondContact O-CD 3.25Å; P229-N243 HydrophobicContact CG-CB 4.43Å
230	Y	37.9	Very low	35.8	Very low	71 Å²	71	81.3 Å²	81.3	28%	0.278	41%	0.412	S	S	.	.			trans	-89.1	1.8	178.9	-81.6	-54.1	0	0	0	113.7	N175 V201 G202 Q203 I228 T232	N175-Y230 PolarHBondContact ND2-OH 2.89Å; N175-Y230 VanDerWaalsContact ND2-OH 3.13Å; V201-Y230 HydrophobicContact CG1-CD2 4.15Å; V201-Y230 PolarHBondContact O-N 3.04Å; G202-Y230 VanDerWaalsContact C-CE2 3.44Å; Q203-Y230 HydrophobicContact CB-CE1 4.46Å; Q203-Y230 HydrophobicContact CB-CE2 3.67Å; Q203-Y230 WeakPolarHBondContact CB-OH 3.16Å; Q203-Y230 VanDerWaalsContact CD-OH 3.24Å; Q203-Y230 HydrophobicContact CG-CE2 4.43Å; Q203-Y230 WeakPolarHBondContact CG-OH 3.47Å; Q203-Y230 PolarHBondContact OE1-OH 3.34Å; I228-Y230 PolarHBondContact O-N 2.68Å; Y230-T232 WeakPolarHBondContact O-CA 3.23Å; Y230-T232 VanDerWaalsContact O-CG2 3.29Å; Y230-T232 WeakPolarHBondContact O-CG2 3.26Å; Y230-T232 PolarHBondContact O-N 2.87Å
231	E	36.5	Very low	35.9	Very low	81 Å²	81	86.3 Å²	86.3	38%	0.379	43%	0.434	S	S	.	.			trans	-40	104.7	-168.5	-90.5	-167.5	179.2	0	0	112.9	N243	E231-N243 VanDerWaalsContact CB-ND2 3.28Å; E231-N243 WeakPolarHBondContact CB-ND2 3.26Å; E231-N243 PolarHBondContact OE2-ND2 3.41Å; E231-N243 PolarHBondContact OE2-OD1 2.84Å; E231-N243 VanDerWaalsContact OE2-OD1 3.11Å
232	T	30.1	Very low	36	Very low	83 Å²	83	86.4 Å²	86.4	51%	0.509	44%	0.437	S	S	.	.			trans	-84.2	124	-165.1	40.4	0	0	0	0	109.5	Y230 L234	Y230-T232 WeakPolarHBondContact O-CA 3.23Å; Y230-T232 VanDerWaalsContact O-CG2 3.29Å; Y230-T232 WeakPolarHBondContact O-CG2 3.26Å; Y230-T232 PolarHBondContact O-N 2.87Å; T232-L234 PolarHBondContact O-N 2.78Å
233	E	32.7	Very low	35.7	Very low	182 Å²	182	88.3 Å²	88.3	85%	0.85	45%	0.445	S	S	*	.			trans	37	18.3	140.1	-65	-173.1	159.4	0	0	121.2	S235	E233-S235 VanDerWaalsContact C-N 3.33Å; E233-S235 PolarHBondContact O-N 2.75Å
234	L	29.6	Very low	35.5	Very low	132 Å²	132	92.3 Å²	92.3	69%	0.691	46%	0.459	S	S	*	.			trans	-83.2	85.7	173.4	-84.2	156.6	0	0	0	109.1	T232 N236	T232-L234 PolarHBondContact O-N 2.78Å; L234-N236 PolarHBondContact O-N 2.77Å
235	S	33.3	Very low	35	Very low	98 Å²	98	92.5 Å²	92.5	69%	0.685	46%	0.461	S	S	*	.	T	Hydrogen-bonded Turn	trans	-34.6	122.2	153.7	43.1	0	0	0	0	110.2	E233	E233-S235 VanDerWaalsContact C-N 3.33Å; E233-S235 PolarHBondContact O-N 2.75Å
236	N	30.6	Very low	34.6	Very low	149 Å²	149	96.1 Å²	96.1	80%	0.797	48%	0.476	S	S	*	.	T	Hydrogen-bonded Turn	trans	106.5	10.3	173.1	-55.9	-24	0	0	0	119.4	L234 I238	L234-N236 PolarHBondContact O-N 2.77Å; N236-I238 VanDerWaalsContact C-N 3.33Å; N236-I238 PolarHBondContact O-N 2.83Å
237	I	30	Very low	34.2	Very low	102 Å²	102	96 Å²	96	52%	0.523	48%	0.476	S	S	.	.			trans	-79	90	162.6	-49	-179.6	0	0	0	108.3	E239	I237-E239 HydrophobicContact CG2-CB 4.17Å; I237-E239 WeakPolarHBondContact CG2-O 3.39Å; I237-E239 PolarHBondContact O-N 3.47Å
238	I	33.2	Very low	33.9	Very low	153 Å²	153	96.9 Å²	96.9	79%	0.785	48%	0.48	S	S	*	.			trans	-66.9	-8.8	171.7	-67.8	173.1	0	0	0	111.2	N236	N236-I238 VanDerWaalsContact C-N 3.33Å; N236-I238 PolarHBondContact O-N 2.83Å
239	E	30.6	Very low	33.5	Very low	144 Å²	144	98.8 Å²	98.8	67%	0.673	49%	0.487	S	S	*	.	S	Bend	trans	-90.3	121.4	174.5	-75.5	-179.1	153.6	0	0	111.3	I237 H241	I237-E239 HydrophobicContact CG2-CB 4.17Å; I237-E239 WeakPolarHBondContact CG2-O 3.39Å; I237-E239 PolarHBondContact O-N 3.47Å; E239-H241 PolarHBondContact O-N 2.72Å
240	H	30.6	Very low	33.6	Very low	181 Å²	181	100.6 Å²	100.6	84%	0.838	49%	0.491	S	S	*	.			trans	-60.1	67.1	175.4	-61.2	-69.3	0	0	0	112.7	K242	H240-K242 PolarHBondContact O-N 2.97Å
241	H	29.9	Very low	33.2	Very low	121 Å²	121	99.9 Å²	99.9	56%	0.56	50%	0.496	S	S	*	.			trans	-72.8	84.1	157	-67.2	-61.8	0	0	0	106.5	E239 N243	E239-H241 PolarHBondContact O-N 2.72Å; H241-N243 VanDerWaalsContact C-N 3.27Å; H241-N243 PolarHBondContact O-N 2.82Å; H241-N243 PolarHBondContact O-OD1 2.84Å
242	K	32	Very low	32.9	Very low	123 Å²	123	96.5 Å²	96.5	54%	0.535	48%	0.481	S	S	.	.			trans	-55.6	102.6	161.3	-79.4	177.3	175.3	179	0	105.6	H240 Y244	H240-K242 PolarHBondContact O-N 2.97Å; K242-Y244 HydrophobicContact CB-CD1 4.21Å; K242-Y244 HydrophobicContact CB-CD2 4.4Å; K242-Y244 HydrophobicContact CB-CE1 3.61Å; K242-Y244 HydrophobicContact CB-CE2 3.79Å; K242-Y244 HydrophobicContact CD-CE1 4.05Å; K242-Y244 VanDerWaalsContact CD-OH 3.25Å; K242-Y244 WeakPolarHBondContact CD-OH 3.25Å; K242-Y244 HydrophobicContact CG-CE1 4.47Å; K242-Y244 WeakPolarHBondContact O-CD2 2.91Å; K242-Y244 VanDerWaalsContact O-CE2 3.25Å; K242-Y244 WeakPolarHBondContact O-CE2 2.95Å; K242-Y244 VanDerWaalsContact O-CG 3.3Å; K242-Y244 PolarHBondContact O-N 2.98Å
243	N	29.9	Very low	32.9	Very low	59 Å²	59	94.4 Å²	94.4	32%	0.316	47%	0.468	S	S	.	.			trans	-71.3	86.3	-178	-78.1	-21.2	0	0	0	109.1	P229 E231 H241 V245	P229-N243 HydrophobicContact CG-CB 4.43Å; E231-N243 VanDerWaalsContact CB-ND2 3.28Å; E231-N243 WeakPolarHBondContact CB-ND2 3.26Å; E231-N243 PolarHBondContact OE2-ND2 3.41Å; E231-N243 PolarHBondContact OE2-OD1 2.84Å; E231-N243 VanDerWaalsContact OE2-OD1 3.11Å; H241-N243 VanDerWaalsContact C-N 3.27Å; H241-N243 PolarHBondContact O-N 2.82Å; H241-N243 PolarHBondContact O-OD1 2.84Å; N243-V245 PolarHBondContact O-N 2.77Å
244	Y	34.8	Very low	32.7	Very low	110 Å²	110	88.1 Å²	88.1	43%	0.431	44%	0.44	S	S	.	.			trans	-71.4	112.8	-178.6	-58	-65.7	0	0	0	109.2	K242 K246 T534	K242-Y244 HydrophobicContact CB-CD1 4.21Å; K242-Y244 HydrophobicContact CB-CD2 4.4Å; K242-Y244 HydrophobicContact CB-CE1 3.61Å; K242-Y244 HydrophobicContact CB-CE2 3.79Å; K242-Y244 HydrophobicContact CD-CE1 4.05Å; K242-Y244 VanDerWaalsContact CD-OH 3.25Å; K242-Y244 WeakPolarHBondContact CD-OH 3.25Å; K242-Y244 HydrophobicContact CG-CE1 4.47Å; K242-Y244 WeakPolarHBondContact O-CD2 2.91Å; K242-Y244 VanDerWaalsContact O-CE2 3.25Å; K242-Y244 WeakPolarHBondContact O-CE2 2.95Å; K242-Y244 VanDerWaalsContact O-CG 3.3Å; K242-Y244 PolarHBondContact O-N 2.98Å; Y244-K246 PolarHBondContact O-N 2.99Å; Y244-T534 WeakPolarHBondContact CD1-OG1 3.17Å; Y244-T534 VanDerWaalsContact CE1-OG1 3.26Å; Y244-T534 WeakPolarHBondContact CE1-OG1 3.28Å
245	V	33.1	Very low	32.7	Very low	26 Å²	26	85.8 Å²	85.8	16%	0.158	43%	0.429	C	S	.	.			trans	-56.7	120.9	164.8	178.7	0	0	0	0	107.6	T226 W227 I228 N243 V247 A533 T534	T226-V245 HydrophobicContact CG2-CG1 3.75Å; W227-V245 WeakPolarHBondContact O-CG1 3.31Å; I228-V245 HydrophobicContact CG1-CG1 4.4Å; N243-V245 PolarHBondContact O-N 2.77Å; V245-V247 HydrophobicContact CG1-CG2 3.91Å; V245-A533 HydrophobicContact CB-CB 3.75Å; V245-A533 HydrophobicContact CG2-CB 3.88Å; V245-T534 VanDerWaalsContact O-O 3.05Å
246	K	40.1	Very low	32.4	Very low	87 Å²	87	84.2 Å²	84.2	38%	0.378	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	105.1	177.4	-66.8	179.9	-175.4	174	0	107.8	K198 W227 Y244 F248	K198-K246 PolarHBondContact O-NZ 2.92Å; W227-K246 PolarHBondContact N-O 3.14Å; W227-K246 PolarHBondContact O-N 2.97Å; Y244-K246 PolarHBondContact O-N 2.99Å; K246-F248 HydrophobicContact CB-CE2 3.97Å; K246-F248 HydrophobicContact CB-CZ 4.25Å
247	V	35.9	Very low	32.4	Very low	17 Å²	17	84 Å²	84	10%	0.103	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123	178.6	-168.8	0	0	0	0	109	L224 T226 V245 F249	L224-V247 HydrophobicContact CD1-CG1 3.69Å; T226-V247 HydrophobicContact CG2-CG2 4.19Å; V245-V247 HydrophobicContact CG1-CG2 3.91Å; V247-F249 HydrophobicContact CB-CE2 4.06Å; V247-F249 HydrophobicContact CG1-CD2 4.11Å; V247-F249 HydrophobicContact CG1-CE1 4.35Å; V247-F249 HydrophobicContact CG1-CE2 3.45Å; V247-F249 VanDerWaalsContact CG1-CE2 3.45Å; V247-F249 HydrophobicContact CG1-CZ 3.59Å
248	F	40.5	Very low	32.4	Very low	45 Å²	45	89.5 Å²	89.5	20%	0.197	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	118.3	175.7	-57.1	-88	0	0	0	109.2	Y33 I38 F225 K246	Y33-F248 HydrophobicContact CE2-CD1 4.31Å; Y33-F248 HydrophobicContact CE2-CE1 4.23Å; I38-F248 HydrophobicContact CD1-CD1 4.05Å; I38-F248 HydrophobicContact CD1-CE1 3.56Å; I38-F248 HydrophobicContact CD1-CZ 4.1Å; F225-F248 HydrophobicContact CB-CB 4.06Å; F225-F248 PolarHBondContact N-O 3.17Å; F225-F248 WeakPolarHBondContact O-CA 3.41Å; F225-F248 WeakPolarHBondContact O-CB 3.38Å; F225-F248 PolarHBondContact O-N 3.29Å; F225-F248 VanDerWaalsContact O-O 3.12Å; K246-F248 HydrophobicContact CB-CE2 3.97Å; K246-F248 HydrophobicContact CB-CZ 4.25Å
249	F	35.6	Very low	32.3	Very low	81 Å²	81	85.7 Å²	85.7	36%	0.355	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	133.1	176.8	-64.4	-94.3	0	0	0	110.4	L224 V247 V535	L224-F249 HydrophobicContact CD1-CD1 3.35Å; L224-F249 HydrophobicContact CD1-CD2 4.41Å; L224-F249 HydrophobicContact CD1-CE1 3.42Å; L224-F249 VanDerWaalsContact CD1-CE1 3.42Å; L224-F249 HydrophobicContact CD1-CE2 4.46Å; L224-F249 HydrophobicContact CD1-CG 3.88Å; L224-F249 HydrophobicContact CD1-CZ 4Å; V247-F249 HydrophobicContact CB-CE2 4.06Å; V247-F249 HydrophobicContact CG1-CD2 4.11Å; V247-F249 HydrophobicContact CG1-CE1 4.35Å; V247-F249 HydrophobicContact CG1-CE2 3.45Å; V247-F249 VanDerWaalsContact CG1-CE2 3.45Å; V247-F249 HydrophobicContact CG1-CZ 3.59Å; F249-V535 HydrophobicContact CE2-CG1 3.56Å; F249-V535 HydrophobicContact CZ-CG1 3.97Å
250	Y	38.2	Very low	32.5	Very low	67 Å²	67	84.3 Å²	84.3	26%	0.263	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140	133.5	168.9	-169.8	-95.3	0	0	0	111.6	V29 I40 S222 V223 V252	V29-Y250 HydrophobicContact CG2-CE2 4.44Å; I40-Y250 HydrophobicContact CD1-CD2 4.46Å; S222-Y250 CarbonylContact C-O 3.54Å; V223-Y250 CarbonylContact C-O 3.47Å; V223-Y250 PolarHBondContact N-O 2.86Å; V223-Y250 PolarHBondContact O-N 2.99Å; Y250-V252 HydrophobicContact CD1-CB 4.27Å; Y250-V252 HydrophobicContact CD1-CG2 3.42Å; Y250-V252 VanDerWaalsContact CD1-CG2 3.42Å; Y250-V252 HydrophobicContact CE1-CB 3.96Å; Y250-V252 HydrophobicContact CE1-CG1 4.36Å; Y250-V252 HydrophobicContact CE1-CG2 3.44Å; Y250-V252 VanDerWaalsContact CE1-CG2 3.44Å
251	S	28.9	Very low	32.6	Very low	57 Å²	57	82.3 Å²	82.3	40%	0.399	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	110	168.9	59.5	0	0	0	0	110	S222	S222-S251 VanDerWaalsContact OG-CA 3.27Å; S222-S251 WeakPolarHBondContact OG-CA 3.24Å; S222-S251 VanDerWaalsContact OG-CB 3.26Å; S222-S251 WeakPolarHBondContact OG-CB 3.24Å
252	V	31.1	Very low	32.8	Very low	10 Å²	10	82.7 Å²	82.7	6%	0.061	44%	0.439	C	S	.	.			trans	-92.2	118.9	168.6	-161.1	0	0	0	0	108.2	L64 Y221 V223 Y250 L254	L64-V252 HydrophobicContact CD1-CG2 4.09Å; Y221-V252 CarbonylContact C-O 3.59Å; Y221-V252 WeakPolarHBondContact O-CB 3.46Å; V223-V252 HydrophobicContact CG2-CG2 4.28Å; Y250-V252 HydrophobicContact CD1-CB 4.27Å; Y250-V252 HydrophobicContact CD1-CG2 3.42Å; Y250-V252 VanDerWaalsContact CD1-CG2 3.42Å; Y250-V252 HydrophobicContact CE1-CB 3.96Å; Y250-V252 HydrophobicContact CE1-CG1 4.36Å; Y250-V252 HydrophobicContact CE1-CG2 3.44Å; Y250-V252 VanDerWaalsContact CE1-CG2 3.44Å; V252-L254 HydrophobicContact CG1-CG 4.33Å
253	T	30.3	Very low	33	Very low	38 Å²	38	80.5 Å²	80.5	23%	0.233	44%	0.436	C	S	.	.			trans	-94.4	104.2	165.2	-33.4	0	0	0	0	108.4	K27 D255 L279	K27-T253 PolarHBondContact NZ-O 3.25Å; T253-D255 VanDerWaalsContact C-N 3.35Å; T253-D255 PolarHBondContact O-N 3.48Å; T253-L279 HydrophobicContact CG2-CD1 4.45Å; T253-L279 HydrophobicContact CG2-CD2 3.88Å; T253-L279 WeakPolarHBondContact OG1-CD2 3.48Å
254	L	28.8	Very low	33.3	Very low	51 Å²	51	83.3 Å²	83.3	27%	0.267	45%	0.451	S	S	.	.			trans	-81.7	83.8	169.2	-77.2	161.3	0	0	0	108.3	V252 S256	V252-L254 HydrophobicContact CG1-CG 4.33Å; L254-S256 PolarHBondContact O-N 3.39Å
255	D	29	Very low	33.4	Very low	83 Å²	83	85.6 Å²	85.6	44%	0.444	47%	0.466	S	S	.	.			trans	-67.3	100.3	169.4	-84.9	-36.4	0	0	0	109.6	T253 K257	T253-D255 VanDerWaalsContact C-N 3.35Å; T253-D255 PolarHBondContact O-N 3.48Å; D255-K257 PolarHBondContact O-N 3.2Å
256	S	27.9	Very low	33.6	Very low	65 Å²	65	89 Å²	89	46%	0.455	49%	0.487	S	S	.	.			trans	-92.9	69.9	169.7	54.5	0	0	0	0	109.9	S218 L254	S218-S256 VanDerWaalsContact CB-OG 3.23Å; S218-S256 WeakPolarHBondContact CB-OG 3.28Å; S218-S256 PolarHBondContact O-OG 3.47Å; S218-S256 PolarHBondContact OG-OG 2.89Å; L254-S256 PolarHBondContact O-N 3.39Å
257	K	30	Very low	33.3	Very low	143 Å²	143	90.7 Å²	90.7	62%	0.622	50%	0.496	S	S	*	.			trans	-104.3	81.3	168.4	-87.1	-173.5	177.8	177	0	111.1	D255 A259	D255-K257 PolarHBondContact O-N 3.2Å; K257-A259 VanDerWaalsContact C-N 3.25Å; K257-A259 PolarHBondContact O-N 2.81Å
258	K	30.5	Very low	33.2	Very low	218 Å²	218	94.3 Å²	94.3	95%	0.948	51%	0.514	S	S	*	.			trans	-75.7	84.8	147.8	-79.5	-173	177.7	-179.4	0	107.5
259	A	30.7	Very low	33	Very low	74 Å²	74	96.1 Å²	96.1	61%	0.612	53%	0.529	S	S	*	.			trans	-128.4	95	162.2	0	0	0	0	0	106.8	K257 D261	K257-A259 VanDerWaalsContact C-N 3.25Å; K257-A259 PolarHBondContact O-N 2.81Å; A259-D261 VanDerWaalsContact C-N 3.33Å; A259-D261 PolarHBondContact O-N 2.75Å
260	S	34.1	Very low	32.9	Very low	114 Å²	114	99 Å²	99	80%	0.797	54%	0.543	S	S	*	.			trans	-56.4	97.8	163.5	49.9	0	0	0	0	108.2
261	D	33.1	Very low	32.8	Very low	140 Å²	140	99.8 Å²	99.8	75%	0.749	55%	0.549	S	S	*	.	S	Bend	trans	-157	134.8	152.1	-85.7	-36.7	0	0	0	106.1	A259 V263	A259-D261 VanDerWaalsContact C-N 3.33Å; A259-D261 PolarHBondContact O-N 2.75Å; D261-V263 WeakPolarHBondContact O-CG2 3.42Å; D261-V263 PolarHBondContact O-N 2.99Å
262	S	35.1	Very low	33.1	Very low	129 Å²	129	101 Å²	101	90%	0.902	55%	0.548	S	S	*	.			trans	-59.3	90.4	-176.1	52.5	0	0	0	0	110.9
263	V	35.6	Very low	33.4	Very low	77 Å²	77	104.1 Å²	104.1	47%	0.467	56%	0.564	S	S	.	*			trans	-86.4	119.7	176	179.6	0	0	0	0	108.5	D261 Q267 L268	D261-V263 WeakPolarHBondContact O-CG2 3.42Å; D261-V263 PolarHBondContact O-N 2.99Å; V263-Q267 HydrophobicContact CG1-CB 3.72Å; V263-L268 HydrophobicContact CG1-CG 4.18Å
264	N	35.8	Very low	33.7	Very low	117 Å²	117	106.5 Å²	106.5	63%	0.626	57%	0.572	S	S	*	*			trans	-60.4	134.7	-179.6	-151.3	-5.7	0	0	0	110.3	T266 Q267 L268	N264-T266 PolarHBondContact O-N 3.1Å; N264-Q267 WeakPolarHBondContact O-CB 3.42Å; N264-Q267 PolarHBondContact O-N 2.95Å; N264-L268 PolarHBondContact O-N 2.99Å
265	E	36.2	Very low	34	Very low	159 Å²	159	106.3 Å²	106.3	74%	0.743	57%	0.571	S	S	*	*	H	α-helix	trans	-50.9	-34.7	-169.3	-74.4	176.8	155.4	0	0	114.3	Q267 L268 V269	E265-Q267 VanDerWaalsContact C-N 3.3Å; E265-Q267 PolarHBondContact O-N 2.96Å; E265-L268 WeakPolarHBondContact O-CB 3.19Å; E265-L268 PolarHBondContact O-N 3.49Å; E265-V269 PolarHBondContact O-N 3.04Å
266	T	37.3	Very low	34.3	Very low	98 Å²	98	107.2 Å²	107.2	60%	0.601	57%	0.573	S	S	*	*	H	α-helix	trans	-66.9	-29.2	177.9	52	0	0	0	0	113.5	N264 H270	N264-T266 PolarHBondContact O-N 3.1Å; T266-H270 PolarHBondContact O-N 3.13Å
267	Q	33.8	Very low	34.7	Very low	122 Å²	122	109.8 Å²	109.8	57%	0.57	58%	0.577	S	S	*	*	H	α-helix	trans	-76.1	-33.2	174.3	-72	-178.2	-9.2	0	0	111.5	V263 N264 E265 H271	V263-Q267 HydrophobicContact CG1-CB 3.72Å; N264-Q267 WeakPolarHBondContact O-CB 3.42Å; N264-Q267 PolarHBondContact O-N 2.95Å; E265-Q267 VanDerWaalsContact C-N 3.3Å; E265-Q267 PolarHBondContact O-N 2.96Å; Q267-H271 WeakPolarHBondContact O-CB 3.26Å; Q267-H271 PolarHBondContact O-N 3.03Å
268	L	35.4	Very low	35.1	Very low	92 Å²	92	108.6 Å²	108.6	48%	0.482	57%	0.572	S	S	.	*	H	α-helix	trans	-62.9	-47.2	174.7	-93	156.3	0	0	0	111.3	V263 N264 E265 H270 H271 Q272	V263-L268 HydrophobicContact CG1-CG 4.18Å; N264-L268 PolarHBondContact O-N 2.99Å; E265-L268 WeakPolarHBondContact O-CB 3.19Å; E265-L268 PolarHBondContact O-N 3.49Å; L268-H270 PolarHBondContact O-N 3.17Å; L268-H271 PolarHBondContact O-N 3.22Å; L268-Q272 WeakPolarHBondContact O-CB 3.13Å; L268-Q272 PolarHBondContact O-N 3.04Å
269	V	35.1	Very low	35.3	Very low	84 Å²	84	100.8 Å²	100.8	51%	0.509	54%	0.54	S	S	.	.	H	α-helix	trans	-62.9	-44.7	179	178.7	0	0	0	0	111.5	E265 Q272 I273	E265-V269 PolarHBondContact O-N 3.04Å; V269-Q272 PolarHBondContact O-N 2.92Å; V269-I273 HydrophobicContact CG1-CD1 3.94Å; V269-I273 WeakPolarHBondContact O-CG1 3.32Å; V269-I273 PolarHBondContact O-N 3.25Å
270	H	33.7	Very low	35.5	Very low	142 Å²	142	101.3 Å²	101.3	66%	0.657	53%	0.533	S	S	*	.	H	α-helix	trans	-65.9	-42	176.9	-95.6	-67.6	0	0	0	112.4	T266 L268 Q272 E274	T266-H270 PolarHBondContact O-N 3.13Å; L268-H270 PolarHBondContact O-N 3.17Å; H270-Q272 VanDerWaalsContact C-N 3.28Å; H270-Q272 PolarHBondContact O-N 2.7Å; H270-E274 VanDerWaalsContact O-CB 3.31Å; H270-E274 WeakPolarHBondContact O-CB 3.15Å; H270-E274 PolarHBondContact O-N 3.01Å
271	H	35.9	Very low	35.7	Very low	82 Å²	82	100.5 Å²	100.5	38%	0.38	52%	0.52	S	S	.	.	H	α-helix	trans	-65.6	-35.6	177.2	-162.3	32.7	0	0	0	111.1	Q267 L268 E274 I275	Q267-H271 WeakPolarHBondContact O-CB 3.26Å; Q267-H271 PolarHBondContact O-N 3.03Å; L268-H271 PolarHBondContact O-N 3.22Å; H271-E274 PolarHBondContact O-N 2.88Å; H271-I275 VanDerWaalsContact O-CB 3.32Å; H271-I275 WeakPolarHBondContact O-CB 3.27Å; H271-I275 WeakPolarHBondContact O-CD1 3.35Å; H271-I275 WeakPolarHBondContact O-CG1 3.47Å; H271-I275 PolarHBondContact O-N 3.38Å
272	Q	35.2	Very low	36	Very low	82 Å²	82	97.8 Å²	97.8	38%	0.383	50%	0.503	S	S	.	.	H	α-helix	trans	-70.9	-44.6	178.3	-171.9	167.2	4.7	0	0	112.3	L268 V269 H270 E274 I275 E276	L268-Q272 WeakPolarHBondContact O-CB 3.13Å; L268-Q272 PolarHBondContact O-N 3.04Å; V269-Q272 PolarHBondContact O-N 2.92Å; H270-Q272 VanDerWaalsContact C-N 3.28Å; H270-Q272 PolarHBondContact O-N 2.7Å; Q272-E274 VanDerWaalsContact C-N 3.26Å; Q272-E274 PolarHBondContact O-N 3.15Å; Q272-I275 PolarHBondContact O-N 2.93Å; Q272-E276 WeakPolarHBondContact O-CB 3.38Å; Q272-E276 WeakPolarHBondContact O-CG 2.92Å; Q272-E276 PolarHBondContact O-N 3.35Å
273	I	37.3	Very low	36	Very low	77 Å²	77	93.1 Å²	93.1	40%	0.395	47%	0.472	S	S	.	.	H	α-helix	trans	-60.3	-41	172.4	-67	167.1	0	0	0	110	V269 Q277	V269-I273 HydrophobicContact CG1-CD1 3.94Å; V269-I273 WeakPolarHBondContact O-CG1 3.32Å; V269-I273 PolarHBondContact O-N 3.25Å; I273-Q277 HydrophobicContact CG2-CG 4.36Å; I273-Q277 VanDerWaalsContact O-CB 3.23Å; I273-Q277 WeakPolarHBondContact O-CB 3.39Å; I273-Q277 VanDerWaalsContact O-CG 3.23Å; I273-Q277 WeakPolarHBondContact O-CG 3.49Å; I273-Q277 PolarHBondContact O-N 3.11Å
274	E	37.6	Very low	36	Very low	88 Å²	88	91.6 Å²	91.6	41%	0.411	46%	0.46	S	S	.	.	H	α-helix	trans	-67.5	-40.6	178.1	-162.6	-169.6	164.6	0	0	112.1	H270 H271 Q272 K278	H270-E274 VanDerWaalsContact O-CB 3.31Å; H270-E274 WeakPolarHBondContact O-CB 3.15Å; H270-E274 PolarHBondContact O-N 3.01Å; H271-E274 PolarHBondContact O-N 2.88Å; Q272-E274 VanDerWaalsContact C-N 3.26Å; Q272-E274 PolarHBondContact O-N 3.15Å; E274-K278 HydrophobicContact CG-CD 4.26Å; E274-K278 WeakPolarHBondContact O-CB 3.29Å; E274-K278 VanDerWaalsContact O-CG 3.24Å; E274-K278 WeakPolarHBondContact O-CG 3.41Å; E274-K278 PolarHBondContact O-N 2.97Å; E274-K278 WeakPolarHBondContact OE1-CE 3.45Å; E274-K278 IonicContact OE1-NZ 3.93Å; E274-K278 PolarHBondContact OE1-NZ 2.84Å
275	I	35.3	Very low	36.1	Very low	46 Å²	46	90.2 Å²	90.2	24%	0.236	46%	0.456	C	S	.	.	H	α-helix	trans	-66.9	-46.8	176	-72.8	163.7	0	0	0	110.3	H271 Q272 K278 L279	H271-I275 VanDerWaalsContact O-CB 3.32Å; H271-I275 WeakPolarHBondContact O-CB 3.27Å; H271-I275 WeakPolarHBondContact O-CD1 3.35Å; H271-I275 WeakPolarHBondContact O-CG1 3.47Å; H271-I275 PolarHBondContact O-N 3.38Å; Q272-I275 PolarHBondContact O-N 2.93Å; I275-K278 CarbonylContact O-C 3.21Å; I275-K278 PolarHBondContact O-N 3.01Å; I275-L279 HydrophobicContact CG2-CD1 3.55Å; I275-L279 HydrophobicContact CG2-CG 4.14Å; I275-L279 VanDerWaalsContact O-CB 3.24Å; I275-L279 WeakPolarHBondContact O-CB 3.35Å; I275-L279 VanDerWaalsContact O-CG 3.24Å; I275-L279 WeakPolarHBondContact O-CG 3.38Å; I275-L279 PolarHBondContact O-N 3.17Å
276	E	34.4	Very low	36.2	Very low	103 Å²	103	87 Å²	87	48%	0.481	44%	0.443	S	S	.	.	H	α-helix	trans	-64.2	-41.3	177.7	-75.8	-178.9	-176.6	0	0	111.8	Q272 L279 N280	Q272-E276 WeakPolarHBondContact O-CB 3.38Å; Q272-E276 WeakPolarHBondContact O-CG 2.92Å; Q272-E276 PolarHBondContact O-N 3.35Å; E276-L279 PolarHBondContact O-N 3.32Å; E276-N280 VanDerWaalsContact O-CB 3.26Å; E276-N280 WeakPolarHBondContact O-CB 3.23Å; E276-N280 PolarHBondContact O-N 2.8Å; E276-N280 PolarHBondContact O-ND2 2.95Å
277	Q	37.3	Very low	36.2	Very low	118 Å²	118	84.6 Å²	84.6	55%	0.551	43%	0.429	S	S	*	.	H	α-helix	trans	-65.7	-42.5	173.5	-76.6	-179.7	-1.1	0	0	111.4	I273 N281	I273-Q277 HydrophobicContact CG2-CG 4.36Å; I273-Q277 VanDerWaalsContact O-CB 3.23Å; I273-Q277 WeakPolarHBondContact O-CB 3.39Å; I273-Q277 VanDerWaalsContact O-CG 3.23Å; I273-Q277 WeakPolarHBondContact O-CG 3.49Å; I273-Q277 PolarHBondContact O-N 3.11Å; Q277-N281 WeakPolarHBondContact O-CB 3.08Å; Q277-N281 PolarHBondContact O-N 3.22Å; Q277-N281 PolarHBondContact O-ND2 2.8Å
278	K	36.7	Very low	36.4	Very low	118 Å²	118	83.8 Å²	83.8	51%	0.513	42%	0.423	S	S	.	.	H	α-helix	trans	-63.2	-44	175.2	-83	173	171.3	166.8	0	111.4	E274 I275 N281 E282	E274-K278 HydrophobicContact CG-CD 4.26Å; E274-K278 WeakPolarHBondContact O-CB 3.29Å; E274-K278 VanDerWaalsContact O-CG 3.24Å; E274-K278 WeakPolarHBondContact O-CG 3.41Å; E274-K278 PolarHBondContact O-N 2.97Å; E274-K278 WeakPolarHBondContact OE1-CE 3.45Å; E274-K278 IonicContact OE1-NZ 3.93Å; E274-K278 PolarHBondContact OE1-NZ 2.84Å; I275-K278 CarbonylContact O-C 3.21Å; I275-K278 PolarHBondContact O-N 3.01Å; K278-N281 CarbonylContact O-C 3.41Å; K278-N281 PolarHBondContact O-N 3.45Å; K278-E282 WeakPolarHBondContact O-CB 3.49Å; K278-E282 PolarHBondContact O-N 2.69Å
279	L	35.1	Very low	36.6	Very low	54 Å²	54	82 Å²	82	28%	0.283	42%	0.418	S	S	.	.	H	α-helix	trans	-65.8	-46.1	178.4	-78.7	169.6	0	0	0	111.8	T253 I275 E276 N281 E282 A283	T253-L279 HydrophobicContact CG2-CD1 4.45Å; T253-L279 HydrophobicContact CG2-CD2 3.88Å; T253-L279 WeakPolarHBondContact OG1-CD2 3.48Å; I275-L279 HydrophobicContact CG2-CD1 3.55Å; I275-L279 HydrophobicContact CG2-CG 4.14Å; I275-L279 VanDerWaalsContact O-CB 3.24Å; I275-L279 WeakPolarHBondContact O-CB 3.35Å; I275-L279 VanDerWaalsContact O-CG 3.24Å; I275-L279 WeakPolarHBondContact O-CG 3.38Å; I275-L279 PolarHBondContact O-N 3.17Å; E276-L279 PolarHBondContact O-N 3.32Å; L279-N281 VanDerWaalsContact C-N 3.33Å; L279-E282 PolarHBondContact O-N 2.82Å; L279-A283 WeakPolarHBondContact O-CB 3.13Å; L279-A283 PolarHBondContact O-N 3.48Å
280	N	35.7	Very low	36.8	Very low	85 Å²	85	81.4 Å²	81.4	46%	0.455	41%	0.412	S	S	.	.	H	α-helix	trans	-61.7	-45.3	174	-79.9	-27.8	0	0	0	110.1	E276 E282 I284	E276-N280 VanDerWaalsContact O-CB 3.26Å; E276-N280 WeakPolarHBondContact O-CB 3.23Å; E276-N280 PolarHBondContact O-N 2.8Å; E276-N280 PolarHBondContact O-ND2 2.95Å; N280-E282 PolarHBondContact O-N 2.68Å; N280-I284 HydrophobicContact CB-CD1 4.49Å; N280-I284 WeakPolarHBondContact O-CB 3.24Å; N280-I284 VanDerWaalsContact O-CD1 3.24Å; N280-I284 WeakPolarHBondContact O-CD1 3.27Å; N280-I284 WeakPolarHBondContact O-CG1 2.99Å; N280-I284 PolarHBondContact O-N 3.3Å
281	N	37.8	Very low	36.9	Very low	97 Å²	97	76.6 Å²	76.6	52%	0.519	39%	0.391	S	S	.	.	H	α-helix	trans	-65.6	-38.3	178.1	-73.1	-27.4	0	0	0	112.2	Q277 K278 L279 T285	Q277-N281 WeakPolarHBondContact O-CB 3.08Å; Q277-N281 PolarHBondContact O-N 3.22Å; Q277-N281 PolarHBondContact O-ND2 2.8Å; K278-N281 CarbonylContact O-C 3.41Å; K278-N281 PolarHBondContact O-N 3.45Å; L279-N281 VanDerWaalsContact C-N 3.33Å; N281-T285 WeakPolarHBondContact O-CA 3.15Å; N281-T285 WeakPolarHBondContact O-CB 3.08Å; N281-T285 PolarHBondContact O-N 3.44Å; N281-T285 PolarHBondContact O-OG1 3.08Å
282	E	38.6	Very low	37	Very low	84 Å²	84	77.2 Å²	77.2	39%	0.393	39%	0.394	S	S	.	.	H	α-helix	trans	-74.8	-45	-178.7	-169.8	169.9	-161	0	0	110.9	V214 K278 L279 N280 T285 I286	V214-E282 WeakPolarHBondContact CG2-OE1 3.38Å; K278-E282 WeakPolarHBondContact O-CB 3.49Å; K278-E282 PolarHBondContact O-N 2.69Å; L279-E282 PolarHBondContact O-N 2.82Å; N280-E282 PolarHBondContact O-N 2.68Å; E282-T285 CarbonylContact O-C 3.55Å; E282-T285 PolarHBondContact O-N 3.25Å; E282-T285 VanDerWaalsContact O-N 3.1Å; E282-I286 HydrophobicContact CG-CD1 3.99Å; E282-I286 HydrophobicContact CG-CG1 4.47Å; E282-I286 WeakPolarHBondContact O-CB 3.19Å; E282-I286 VanDerWaalsContact O-CG1 3.26Å; E282-I286 WeakPolarHBondContact O-CG1 3.14Å; E282-I286 PolarHBondContact O-N 3.07Å
283	A	36.3	Very low	37	Very low	31 Å²	31	78.5 Å²	78.5	26%	0.256	40%	0.4	S	S	.	.	H	α-helix	trans	-59.1	-48	170.5	0	0	0	0	0	110.7	L279 T285 I286 T287	L279-A283 WeakPolarHBondContact O-CB 3.13Å; L279-A283 PolarHBondContact O-N 3.48Å; A283-T285 VanDerWaalsContact C-N 3.27Å; A283-T285 PolarHBondContact O-N 3.34Å; A283-I286 PolarHBondContact O-N 3.23Å; A283-T287 WeakPolarHBondContact O-CB 3.18Å; A283-T287 PolarHBondContact O-N 2.77Å; A283-T287 PolarHBondContact O-OG1 3.08Å
284	I	35.7	Very low	36.9	Very low	44 Å²	44	76.1 Å²	76.1	23%	0.226	39%	0.388	C	S	.	.	H	α-helix	trans	-60.5	-37.3	173.9	-69.9	165.1	0	0	0	110.7	N280 K288	N280-I284 HydrophobicContact CB-CD1 4.49Å; N280-I284 WeakPolarHBondContact O-CB 3.24Å; N280-I284 VanDerWaalsContact O-CD1 3.24Å; N280-I284 WeakPolarHBondContact O-CD1 3.27Å; N280-I284 WeakPolarHBondContact O-CG1 2.99Å; N280-I284 PolarHBondContact O-N 3.3Å; I284-K288 HydrophobicContact CG2-CD 3.71Å; I284-K288 VanDerWaalsContact CG2-CE 3.48Å; I284-K288 HydrophobicContact CG2-CG 4.11Å; I284-K288 WeakPolarHBondContact O-CA 3.48Å; I284-K288 WeakPolarHBondContact O-CB 3.45Å; I284-K288 WeakPolarHBondContact O-CG 3.06Å; I284-K288 PolarHBondContact O-N 3.15Å
285	T	38.2	Very low	36.6	Very low	88 Å²	88	75.1 Å²	75.1	54%	0.54	39%	0.388	S	S	.	.	H	α-helix	trans	-73	-42.3	-179.8	-62.3	0	0	0	0	111.4	N281 E282 A283 K288 S289	N281-T285 WeakPolarHBondContact O-CA 3.15Å; N281-T285 WeakPolarHBondContact O-CB 3.08Å; N281-T285 PolarHBondContact O-N 3.44Å; N281-T285 PolarHBondContact O-OG1 3.08Å; E282-T285 CarbonylContact O-C 3.55Å; E282-T285 PolarHBondContact O-N 3.25Å; E282-T285 VanDerWaalsContact O-N 3.1Å; A283-T285 VanDerWaalsContact C-N 3.27Å; A283-T285 PolarHBondContact O-N 3.34Å; T285-K288 PolarHBondContact O-N 2.87Å; T285-S289 WeakPolarHBondContact O-CA 3.39Å; T285-S289 WeakPolarHBondContact O-CB 3.24Å; T285-S289 PolarHBondContact O-N 2.91Å
286	I	38.2	Very low	36.4	Very low	92 Å²	92	81 Å²	81	47%	0.472	41%	0.407	S	S	.	.	H	α-helix	trans	-63.4	-48.2	174.7	-69.1	167	0	0	0	108.8	E282 A283 S289 L290	E282-I286 HydrophobicContact CG-CD1 3.99Å; E282-I286 HydrophobicContact CG-CG1 4.47Å; E282-I286 WeakPolarHBondContact O-CB 3.19Å; E282-I286 VanDerWaalsContact O-CG1 3.26Å; E282-I286 WeakPolarHBondContact O-CG1 3.14Å; E282-I286 PolarHBondContact O-N 3.07Å; A283-I286 PolarHBondContact O-N 3.23Å; I286-S289 PolarHBondContact O-N 3.18Å; I286-L290 VanDerWaalsContact O-CB 3.32Å; I286-L290 WeakPolarHBondContact O-CB 3.23Å; I286-L290 PolarHBondContact O-N 3.01Å
287	T	36.6	Very low	36.1	Very low	48 Å²	48	82.8 Å²	82.8	29%	0.294	41%	0.41	S	S	.	.	H	α-helix	trans	-62.6	-44.7	176.6	-64.7	0	0	0	0	111.8	A283 L290 I291 L537	A283-T287 WeakPolarHBondContact O-CB 3.18Å; A283-T287 PolarHBondContact O-N 2.77Å; A283-T287 PolarHBondContact O-OG1 3.08Å; T287-L290 PolarHBondContact O-N 2.74Å; T287-I291 HydrophobicContact CG2-CD1 3.71Å; T287-I291 HydrophobicContact CG2-CG1 4.37Å; T287-I291 WeakPolarHBondContact O-CB 3.16Å; T287-I291 WeakPolarHBondContact O-CG1 3.13Å; T287-I291 PolarHBondContact O-N 3.35Å; T287-L537 HydrophobicContact CG2-CD2 3.39Å
288	K	38.6	Very low	35.7	Very low	104 Å²	104	80.8 Å²	80.8	45%	0.452	41%	0.406	S	S	.	.	H	α-helix	trans	-65	-39.2	174.3	-80.9	177.7	-180	172.5	0	111.7	I284 T285 Q292	I284-K288 HydrophobicContact CG2-CD 3.71Å; I284-K288 VanDerWaalsContact CG2-CE 3.48Å; I284-K288 HydrophobicContact CG2-CG 4.11Å; I284-K288 WeakPolarHBondContact O-CA 3.48Å; I284-K288 WeakPolarHBondContact O-CB 3.45Å; I284-K288 WeakPolarHBondContact O-CG 3.06Å; I284-K288 PolarHBondContact O-N 3.15Å; T285-K288 PolarHBondContact O-N 2.87Å; K288-Q292 WeakPolarHBondContact O-CB 3.46Å; K288-Q292 WeakPolarHBondContact O-CG 3.11Å; K288-Q292 PolarHBondContact O-N 2.82Å
289	S	38.4	Very low	35.3	Very low	54 Å²	54	77.8 Å²	77.8	38%	0.378	41%	0.409	S	S	.	.	H	α-helix	trans	-64.2	-46.4	177.1	-177.3	0	0	0	0	110	T285 I286 Q292 Q293	T285-S289 WeakPolarHBondContact O-CA 3.39Å; T285-S289 WeakPolarHBondContact O-CB 3.24Å; T285-S289 PolarHBondContact O-N 2.91Å; I286-S289 PolarHBondContact O-N 3.18Å; S289-Q292 CarbonylContact O-C 3.6Å; S289-Q292 PolarHBondContact O-N 2.86Å; S289-Q293 WeakPolarHBondContact O-CB 3.49Å; S289-Q293 VanDerWaalsContact O-CG 3.25Å; S289-Q293 WeakPolarHBondContact O-CG 3.2Å; S289-Q293 PolarHBondContact O-N 3.45Å
290	L	39.4	Very low	35	Very low	73 Å²	73	81.6 Å²	81.6	38%	0.382	43%	0.427	S	S	.	.	H	α-helix	trans	-64	-48.4	176.5	-166.3	79.8	0	0	0	110.9	I286 T287 Q292 Q293 L294	I286-L290 VanDerWaalsContact O-CB 3.32Å; I286-L290 WeakPolarHBondContact O-CB 3.23Å; I286-L290 PolarHBondContact O-N 3.01Å; T287-L290 PolarHBondContact O-N 2.74Å; L290-Q292 VanDerWaalsContact C-N 3.31Å; L290-Q292 PolarHBondContact O-N 3.39Å; L290-Q293 WeakPolarHBondContact O-CB 3.27Å; L290-Q293 PolarHBondContact O-N 2.7Å; L290-Q293 VanDerWaalsContact O-N 3.14Å; L290-L294 HydrophobicContact CD2-CD1 4.44Å; L290-L294 HydrophobicContact CG-CD1 4.13Å; L290-L294 WeakPolarHBondContact O-CB 3.32Å; L290-L294 WeakPolarHBondContact O-CG 3.39Å; L290-L294 PolarHBondContact O-N 3.38Å
291	I	37.7	Very low	34.5	Very low	41 Å²	41	81.7 Å²	81.7	21%	0.21	43%	0.427	C	S	.	.	H	α-helix	trans	-60.8	-40.5	174.7	-69.1	168.9	0	0	0	110.5	T287 L294 T295 L537	T287-I291 HydrophobicContact CG2-CD1 3.71Å; T287-I291 HydrophobicContact CG2-CG1 4.37Å; T287-I291 WeakPolarHBondContact O-CB 3.16Å; T287-I291 WeakPolarHBondContact O-CG1 3.13Å; T287-I291 PolarHBondContact O-N 3.35Å; I291-L294 PolarHBondContact O-N 3.37Å; I291-T295 WeakPolarHBondContact O-CA 3.18Å; I291-T295 WeakPolarHBondContact O-CB 3.5Å; I291-T295 PolarHBondContact O-N 3.34Å; I291-T295 PolarHBondContact O-OG1 3.39Å; I291-L537 HydrophobicContact CD1-CD1 3.98Å; I291-L537 HydrophobicContact CD1-CD2 4.05Å; I291-L537 HydrophobicContact CG1-CD1 4.16Å
292	Q	37.7	Very low	33.9	Very low	94 Å²	94	81.6 Å²	81.6	44%	0.439	43%	0.433	S	S	.	.	H	α-helix	trans	-66.7	-38.2	175.6	-80.3	-176.5	20.2	0	0	111.6	K288 S289 L290 R296	K288-Q292 WeakPolarHBondContact O-CB 3.46Å; K288-Q292 WeakPolarHBondContact O-CG 3.11Å; K288-Q292 PolarHBondContact O-N 2.82Å; S289-Q292 CarbonylContact O-C 3.6Å; S289-Q292 PolarHBondContact O-N 2.86Å; L290-Q292 VanDerWaalsContact C-N 3.31Å; L290-Q292 PolarHBondContact O-N 3.39Å; Q292-R296 WeakPolarHBondContact O-CB 3.09Å; Q292-R296 WeakPolarHBondContact O-CG 3.46Å; Q292-R296 PolarHBondContact O-N 3.41Å
293	Q	35.6	Very low	33.3	Very low	110 Å²	110	82.3 Å²	82.3	51%	0.514	45%	0.448	S	S	.	.	H	α-helix	trans	-62.6	-47.8	173.9	-75.5	174.7	-1.2	0	0	110.3	S289 L290 Y297	S289-Q293 WeakPolarHBondContact O-CB 3.49Å; S289-Q293 VanDerWaalsContact O-CG 3.25Å; S289-Q293 WeakPolarHBondContact O-CG 3.2Å; S289-Q293 PolarHBondContact O-N 3.45Å; L290-Q293 WeakPolarHBondContact O-CB 3.27Å; L290-Q293 PolarHBondContact O-N 2.7Å; L290-Q293 VanDerWaalsContact O-N 3.14Å; Q293-Y297 WeakPolarHBondContact O-CB 3.48Å; Q293-Y297 PolarHBondContact O-N 3.27Å; Q293-Y297 VanDerWaalsContact O-N 3.08Å
294	L	34.5	Very low	32.9	Very low	26 Å²	26	87 Å²	87	14%	0.136	47%	0.467	C	S	.	.	H	α-helix	trans	-61.4	-48.5	176.1	-67.7	168.9	0	0	0	111.6	L290 I291 Y297 V298 I555 L563	L290-L294 HydrophobicContact CD2-CD1 4.44Å; L290-L294 HydrophobicContact CG-CD1 4.13Å; L290-L294 WeakPolarHBondContact O-CB 3.32Å; L290-L294 WeakPolarHBondContact O-CG 3.39Å; L290-L294 PolarHBondContact O-N 3.38Å; I291-L294 PolarHBondContact O-N 3.37Å; L294-Y297 PolarHBondContact O-N 2.8Å; L294-V298 VanDerWaalsContact O-CG2 3.28Å; L294-V298 WeakPolarHBondContact O-CG2 3.19Å; L294-V298 PolarHBondContact O-N 2.98Å; L294-I555 HydrophobicContact CD1-CD1 3.73Å; L294-I555 HydrophobicContact CD2-CD1 3.47Å; L294-I555 VanDerWaalsContact CD2-CD1 3.47Å; L294-I555 HydrophobicContact CG-CD1 4.09Å; L294-L563 HydrophobicContact CD2-CD1 3.65Å; L294-L563 HydrophobicContact CD2-CD2 4.28Å
295	T	31.5	Very low	32.4	Very low	67 Å²	67	92.3 Å²	92.3	41%	0.411	50%	0.496	S	S	.	.	H	α-helix	trans	-68.1	-40.3	-178.8	-51.6	0	0	0	0	111.9	I291 Y297 V298 G299	I291-T295 WeakPolarHBondContact O-CA 3.18Å; I291-T295 WeakPolarHBondContact O-CB 3.5Å; I291-T295 PolarHBondContact O-N 3.34Å; I291-T295 PolarHBondContact O-OG1 3.39Å; T295-Y297 VanDerWaalsContact C-N 3.3Å; T295-Y297 PolarHBondContact O-N 3.47Å; T295-V298 PolarHBondContact O-N 3.48Å; T295-G299 PolarHBondContact O-N 3.36Å
296	R	29.6	Very low	31.7	Very low	169 Å²	169	97.2 Å²	97.2	64%	0.638	51%	0.509	S	S	*	.	H	α-helix	trans	-65	-35.7	176	-74.4	175.2	-163.1	-172.8	9.8	111.2	Q292 M300	Q292-R296 WeakPolarHBondContact O-CB 3.09Å; Q292-R296 WeakPolarHBondContact O-CG 3.46Å; Q292-R296 PolarHBondContact O-N 3.41Å; R296-M300 PolarHBondContact O-N 2.88Å
297	Y	29.9	Very low	31.2	Very low	142 Å²	142	101.9 Å²	101.9	56%	0.557	53%	0.527	S	S	*	.	H	α-helix	trans	-74.3	-41.1	176.2	-105.7	-90.7	0	0	0	113	Q293 L294 T295 G299 M300 N301	Q293-Y297 WeakPolarHBondContact O-CB 3.48Å; Q293-Y297 PolarHBondContact O-N 3.27Å; Q293-Y297 VanDerWaalsContact O-N 3.08Å; L294-Y297 PolarHBondContact O-N 2.8Å; T295-Y297 VanDerWaalsContact C-N 3.3Å; T295-Y297 PolarHBondContact O-N 3.47Å; Y297-G299 VanDerWaalsContact C-N 3.28Å; Y297-G299 PolarHBondContact O-N 3.27Å; Y297-M300 PolarHBondContact O-N 2.77Å; Y297-N301 PolarHBondContact O-N 3.21Å; Y297-N301 VanDerWaalsContact O-N 3.17Å
298	V	28.7	Very low	30.6	Very low	75 Å²	75	102.8 Å²	102.8	46%	0.455	55%	0.545	S	S	.	.	H	α-helix	trans	-58.2	-43.9	172.4	173.1	0	0	0	0	110.2	L294 T295 M300 N301 C302	L294-V298 VanDerWaalsContact O-CG2 3.28Å; L294-V298 WeakPolarHBondContact O-CG2 3.19Å; L294-V298 PolarHBondContact O-N 2.98Å; T295-V298 PolarHBondContact O-N 3.48Å; V298-M300 VanDerWaalsContact C-N 3.29Å; V298-M300 PolarHBondContact O-N 2.82Å; V298-N301 PolarHBondContact O-N 2.73Å; V298-N301 VanDerWaalsContact O-N 3.16Å; V298-C302 PolarHBondContact O-N 3.18Å; V298-C302 VanDerWaalsContact O-N 3.17Å; V298-C302 PolarHBondContact O-SG 3.25Å
299	G	26.8	Very low	30	Very low	56 Å²	56	102.8 Å²	102.8	58%	0.577	56%	0.558	S	S	*	*	H	α-helix	trans	-62.3	-28.7	175.2	0	0	0	0	0	114.8	T295 Y297	T295-G299 PolarHBondContact O-N 3.36Å; Y297-G299 VanDerWaalsContact C-N 3.28Å; Y297-G299 PolarHBondContact O-N 3.27Å
300	M	28.8	Very low	29.5	Very low	133 Å²	133	107.3 Å²	107.3	66%	0.655	58%	0.578	S	S	*	*	H	α-helix	trans	-77.2	-26.5	175.1	-80.2	178.6	73.7	0	0	113.1	R296 Y297 V298	R296-M300 PolarHBondContact O-N 2.88Å; Y297-M300 PolarHBondContact O-N 2.77Å; V298-M300 VanDerWaalsContact C-N 3.29Å; V298-M300 PolarHBondContact O-N 2.82Å
301	N	26.7	Very low	28.9	Very low	87 Å²	87	112.9 Å²	112.9	47%	0.465	60%	0.602	S	S	.	*	H	α-helix	trans	-97.8	-9.7	-176.7	-75.2	-15.1	0	0	0	114.4	Y297 V298 S303	Y297-N301 PolarHBondContact O-N 3.21Å; Y297-N301 VanDerWaalsContact O-N 3.17Å; V298-N301 PolarHBondContact O-N 2.73Å; V298-N301 VanDerWaalsContact O-N 3.16Å; N301-S303 PolarHBondContact O-N 3.23Å; N301-S303 VanDerWaalsContact O-N 3.13Å
302	C	24.4	Very low	28.3	Very low	95 Å²	95	119.3 Å²	119.3	64%	0.642	63%	0.631	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.6	-2.5	177.8	-68.4	0	0	0	0	115.6	V298	V298-C302 PolarHBondContact O-N 3.18Å; V298-C302 VanDerWaalsContact O-N 3.17Å; V298-C302 PolarHBondContact O-SG 3.25Å
303	S	25.7	Very low	27.7	Very low	100 Å²	100	122 Å²	122	70%	0.699	65%	0.648	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.5	-0.9	177.7	54.3	0	0	0	0	115.9	N301	N301-S303 PolarHBondContact O-N 3.23Å; N301-S303 VanDerWaalsContact O-N 3.13Å
304	I	27.5	Very low	27.3	Very low	128 Å²	128	122.3 Å²	122.3	66%	0.656	66%	0.658	S	S	*	*	S	Bend	trans	-90.9	-21.4	-173.5	-60.1	179.4	0	0	0	113.8
305	N	25.4	Very low	26.9	Very low	156 Å²	156	126.9 Å²	126.9	83%	0.834	69%	0.687	S	S	*	*	S	Bend	trans	-114.4	33.2	-173.8	-74.1	-8.5	0	0	0	115.6
306	K	24.9	Very low	26.6	Very low	191 Å²	191	133.9 Å²	133.9	83%	0.83	71%	0.707	S	S	*	*			trans	-117.8	74.5	163.5	-83.7	-169.1	177.8	-180	0	111.5
307	K	26.8	Very low	26.5	Very low	191 Å²	191	131 Å²	131	83%	0.83	71%	0.713	S	S	*	*			trans	-141.8	68.3	150.8	-84.6	-162	176.1	-177.5	0	110.3
308	G	25.2	Very low	26.3	Very low	67 Å²	67	132.9 Å²	132.9	69%	0.691	73%	0.727	S	S	*	*			trans	-73	144.5	135.9	0	0	0	0	0	108.4
309	S	25.5	Very low	26.2	Very low	103 Å²	103	134 Å²	134	72%	0.72	74%	0.738	S	S	*	*	S	Bend	trans	78.2	109.6	171.8	72.5	0	0	0	0	118.3
310	N	27.1	Very low	26.1	Very low	150 Å²	150	140.5 Å²	140.5	80%	0.802	75%	0.751	S	S	*	*			trans	84.6	107.5	138.5	-56.3	-2	0	0	0	118.2	H312	N310-H312 PolarHBondContact O-N 2.98Å
311	E	26.7	Very low	25.8	Very low	190 Å²	190	141.1 Å²	141.1	89%	0.888	76%	0.755	S	S	*	*			trans	-9.4	104.2	147.3	-67.2	172.9	150.4	0	0	113.7
312	H	26.4	Very low	25.7	Very low	175 Å²	175	143.2 Å²	143.2	81%	0.81	77%	0.771	S	S	*	*			trans	-147	126.3	147.2	-88.4	-40.7	0	0	0	108.8	N310 V314	N310-H312 PolarHBondContact O-N 2.98Å; H312-V314 PolarHBondContact O-N 2.86Å; H312-V314 VanDerWaalsContact O-N 3.12Å
313	D	24.6	Very low	25.6	Very low	150 Å²	150	149.8 Å²	149.8	80%	0.802	78%	0.782	S	S	*	*			trans	-33.9	110.4	-179.8	-76.6	-50.6	0	0	0	112.4	T315	D313-T315 PolarHBondContact O-N 2.79Å
314	V	26.2	Very low	25.5	Very low	118 Å²	118	149.9 Å²	149.9	72%	0.715	78%	0.783	S	S	*	*			trans	-71.8	75.2	167.7	-175.9	0	0	0	0	107	H312 Y316	H312-V314 PolarHBondContact O-N 2.86Å; H312-V314 VanDerWaalsContact O-N 3.12Å; V314-Y316 PolarHBondContact O-N 2.87Å; V314-Y316 VanDerWaalsContact O-N 3.13Å
315	T	26.8	Very low	25.3	Very low	122 Å²	122	152.2 Å²	152.2	75%	0.748	79%	0.789	S	S	*	*			trans	-64.7	109	153.6	26.4	0	0	0	0	105.8	D313 S317	D313-T315 PolarHBondContact O-N 2.79Å; T315-S317 VanDerWaalsContact C-N 3.29Å; T315-S317 PolarHBondContact O-N 2.91Å
316	Y	26.1	Very low	25.2	Very low	214 Å²	214	150.7 Å²	150.7	84%	0.839	79%	0.785	S	S	*	*			trans	-41.5	86.7	174.3	-98.9	-102.2	0	0	0	111.4	V314 Q318	V314-Y316 PolarHBondContact O-N 2.87Å; V314-Y316 VanDerWaalsContact O-N 3.13Å; Y316-Q318 PolarHBondContact O-N 3.3Å; Y316-Q318 VanDerWaalsContact O-N 3.14Å
317	S	26.8	Very low	25.1	Very low	109 Å²	109	150.6 Å²	150.6	76%	0.762	79%	0.785	S	S	*	*			trans	-79	97.1	162.2	43.2	0	0	0	0	105.5	T315 S319	T315-S317 VanDerWaalsContact C-N 3.29Å; T315-S317 PolarHBondContact O-N 2.91Å; S317-S319 PolarHBondContact O-N 2.93Å
318	Q	25.3	Very low	25.1	Very low	180 Å²	180	146.1 Å²	146.1	84%	0.841	77%	0.773	S	S	*	*			trans	-52.3	92.9	164.5	-76.5	171.8	-24.2	0	0	107.6	Y316 K320	Y316-Q318 PolarHBondContact O-N 3.3Å; Y316-Q318 VanDerWaalsContact O-N 3.14Å; Q318-K320 VanDerWaalsContact C-N 3.31Å; Q318-K320 PolarHBondContact O-N 2.82Å
319	S	25.8	Very low	25.2	Very low	99 Å²	99	148 Å²	148	69%	0.692	78%	0.776	S	S	*	*			trans	-59.4	102.6	167.1	44.7	0	0	0	0	105.7	S317 I321	S317-S319 PolarHBondContact O-N 2.93Å; S319-I321 PolarHBondContact O-N 2.8Å
320	K	24.6	Very low	25.2	Very low	193 Å²	193	147 Å²	147	84%	0.839	78%	0.782	S	S	*	*			trans	-54	91.3	162.7	-92.2	176.8	173.1	172.5	0	106	Q318 T322	Q318-K320 VanDerWaalsContact C-N 3.31Å; Q318-K320 PolarHBondContact O-N 2.82Å; K320-T322 PolarHBondContact O-N 2.81Å; K320-T322 PolarHBondContact O-OG1 3.44Å
321	I	23.7	Very low	25.1	Very low	146 Å²	146	146.7 Å²	146.7	75%	0.749	78%	0.78	S	S	*	*			trans	-54.4	100	166.8	-66.7	169.6	0	0	0	104.5	S319 R323	S319-I321 PolarHBondContact O-N 2.8Å; I321-R323 PolarHBondContact O-N 2.75Å
322	T	23.5	Very low	25.1	Very low	130 Å²	130	145.1 Å²	145.1	80%	0.798	78%	0.777	S	S	*	*			trans	-72.1	95.5	174.5	-32.1	0	0	0	0	103.1	K320 S324	K320-T322 PolarHBondContact O-N 2.81Å; K320-T322 PolarHBondContact O-OG1 3.44Å; T322-S324 VanDerWaalsContact C-N 3.31Å; T322-S324 PolarHBondContact O-N 2.79Å
323	R	22.6	Very low	25.1	Very low	233 Å²	233	141.9 Å²	141.9	88%	0.879	77%	0.772	S	S	*	*			trans	-46.9	100	176.2	-94.3	-179	166.9	179.5	-3.7	107.5	I321 K325	I321-R323 PolarHBondContact O-N 2.75Å; R323-K325 PolarHBondContact O-N 2.66Å; R323-K325 VanDerWaalsContact O-N 3.14Å
324	S	23.8	Very low	25.1	Very low	102 Å²	102	142.5 Å²	142.5	71%	0.713	77%	0.774	S	S	*	*			trans	-62.1	117.7	175.1	48.3	0	0	0	0	106.1	T322 T326	T322-S324 VanDerWaalsContact C-N 3.31Å; T322-S324 PolarHBondContact O-N 2.79Å; S324-T326 PolarHBondContact O-N 3.18Å
325	K	23.5	Very low	25.1	Very low	178 Å²	178	146.4 Å²	146.4	77%	0.774	78%	0.781	S	S	*	*			trans	-51.5	105.1	174.1	-70.9	176.7	178	177.2	0	107.6	R323 F327	R323-K325 PolarHBondContact O-N 2.66Å; R323-K325 VanDerWaalsContact O-N 3.14Å; K325-F327 VanDerWaalsContact C-N 3.31Å; K325-F327 HydrophobicContact CB-CD2 4.27Å; K325-F327 HydrophobicContact CB-CE2 4.04Å; K325-F327 WeakPolarHBondContact O-CD2 3.45Å; K325-F327 PolarHBondContact O-N 3.47Å
326	T	24.4	Very low	25	Very low	123 Å²	123	151.6 Å²	151.6	76%	0.755	79%	0.787	S	S	*	*			trans	-63.3	95.9	173.9	-19.7	0	0	0	0	106.5	S324 T328	S324-T326 PolarHBondContact O-N 3.18Å; T326-T328 HydrophobicContact CG2-CG2 4.29Å; T326-T328 PolarHBondContact O-N 2.86Å
327	F	22.4	Very low	25	Very low	190 Å²	190	146.4 Å²	146.4	83%	0.833	78%	0.778	S	S	*	*			trans	-76.9	81.8	166.5	-80.8	-86.2	0	0	0	106.7	K325 S329	K325-F327 VanDerWaalsContact C-N 3.31Å; K325-F327 HydrophobicContact CB-CD2 4.27Å; K325-F327 HydrophobicContact CB-CE2 4.04Å; K325-F327 WeakPolarHBondContact O-CD2 3.45Å; K325-F327 PolarHBondContact O-N 3.47Å; F327-S329 PolarHBondContact O-N 3.13Å
328	T	25.9	Very low	24.9	Very low	96 Å²	96	147.6 Å²	147.6	59%	0.589	78%	0.775	S	S	*	*			trans	-68.1	115.9	166.8	40.9	0	0	0	0	107.9	T326 G330	T326-T328 HydrophobicContact CG2-CG2 4.29Å; T326-T328 PolarHBondContact O-N 2.86Å; T328-G330 PolarHBondContact O-N 3.07Å
329	S	27.2	Very low	24.8	Very low	106 Å²	106	148.3 Å²	148.3	74%	0.741	77%	0.771	S	S	*	*			trans	-50.1	105.9	173.4	50.4	0	0	0	0	110.8	F327 L331	F327-S329 PolarHBondContact O-N 3.13Å; S329-L331 PolarHBondContact O-N 2.98Å
330	G	25.9	Very low	24.9	Very low	82 Å²	82	149.1 Å²	149.1	85%	0.845	77%	0.772	S	S	*	*	S	Bend	trans	60.6	-11.5	151.5	0	0	0	0	0	119.8	T328 N332	T328-G330 PolarHBondContact O-N 3.07Å; G330-N332 PolarHBondContact O-N 2.98Å
331	L	25.4	Very low	24.9	Very low	145 Å²	145	146.6 Å²	146.6	76%	0.759	77%	0.767	S	S	*	*			trans	-98	94	178.3	-67.6	169.7	0	0	0	106.6	S329 P333	S329-L331 PolarHBondContact O-N 2.98Å; L331-P333 WeakPolarHBondContact O-CD 3.16Å
332	N	25.5	Very low	25	Very low	156 Å²	156	143.7 Å²	143.7	83%	0.834	77%	0.774	S	S	*	*			trans	-49.1	111	164.5	-89.2	-30.6	0	0	0	107	G330 L334	G330-N332 PolarHBondContact O-N 2.98Å; N332-L334 PolarHBondContact O-N 3.21Å; N332-L334 VanDerWaalsContact O-N 3.11Å
333	P	26.3	Very low	25.2	Very low	107 Å²	107	143.7 Å²	143.7	70%	0.695	77%	0.773	S	S	*	*			trans	-61	123.8	-179.2	23	-29.5	0	0	0	106.9	L331 K335	L331-P333 WeakPolarHBondContact O-CD 3.16Å; P333-K335 PolarHBondContact O-N 3.39Å; P333-K335 VanDerWaalsContact O-N 3.12Å
334	L	25	Very low	25.4	Very low	163 Å²	163	143.8 Å²	143.8	85%	0.853	77%	0.774	S	S	*	*			trans	-46.6	126.6	168.2	-93.9	96.2	0	0	0	106.9	N332 R336	N332-L334 PolarHBondContact O-N 3.21Å; N332-L334 VanDerWaalsContact O-N 3.11Å; L334-R336 PolarHBondContact O-N 2.99Å
335	K	25.9	Very low	25.6	Very low	200 Å²	200	143.5 Å²	143.5	87%	0.87	77%	0.772	S	S	*	*			trans	-50.5	104.8	172.9	-86.7	-179.6	174.2	178.1	0	106.9	P333 T337	P333-K335 PolarHBondContact O-N 3.39Å; P333-K335 VanDerWaalsContact O-N 3.12Å; K335-T337 PolarHBondContact O-N 3.43Å
336	R	26.6	Very low	25.7	Very low	232 Å²	232	141.5 Å²	141.5	88%	0.875	78%	0.775	S	S	*	*			trans	-59.8	108.1	168	-77.8	-176.9	177.6	177.1	-2.6	105.7	L334 I338	L334-R336 PolarHBondContact O-N 2.99Å; R336-I338 VanDerWaalsContact C-N 3.27Å; R336-I338 PolarHBondContact O-N 3.12Å
337	T	24.7	Very low	25.8	Very low	105 Å²	105	140.8 Å²	140.8	64%	0.644	77%	0.77	S	S	*	*			trans	-64.3	97.5	166.7	-44.4	0	0	0	0	105.4	K335 Y339	K335-T337 PolarHBondContact O-N 3.43Å; T337-Y339 VanDerWaalsContact C-N 3.31Å; T337-Y339 HydrophobicContact CG2-CD2 4.3Å; T337-Y339 HydrophobicContact CG2-CE2 3.92Å; T337-Y339 WeakPolarHBondContact O-CD2 3.35Å; T337-Y339 PolarHBondContact O-N 3.21Å
338	I	24.5	Very low	25.9	Very low	134 Å²	134	139.4 Å²	139.4	69%	0.687	77%	0.772	S	S	*	*			trans	-69.6	97.6	174.2	-54.5	175.5	0	0	0	105.2	R336 T340	R336-I338 VanDerWaalsContact C-N 3.27Å; R336-I338 PolarHBondContact O-N 3.12Å; I338-T340 HydrophobicContact CG2-CG2 3.57Å; I338-T340 PolarHBondContact O-N 2.86Å
339	Y	22.8	Very low	26.2	Very low	194 Å²	194	140 Å²	140	76%	0.761	78%	0.777	S	S	*	*			trans	-69.4	86.5	162.3	-74.6	-89	0	0	0	106.4	T337 N341	T337-Y339 VanDerWaalsContact C-N 3.31Å; T337-Y339 HydrophobicContact CG2-CD2 4.3Å; T337-Y339 HydrophobicContact CG2-CE2 3.92Å; T337-Y339 WeakPolarHBondContact O-CD2 3.35Å; T337-Y339 PolarHBondContact O-N 3.21Å; Y339-N341 PolarHBondContact O-N 3.23Å
340	T	28.4	Very low	26.3	Very low	117 Å²	117	142.3 Å²	142.3	72%	0.718	78%	0.78	S	S	*	*			trans	-70.5	84.4	165.4	53.8	0	0	0	0	106.7	I338 G342	I338-T340 HydrophobicContact CG2-CG2 3.57Å; I338-T340 PolarHBondContact O-N 2.86Å; T340-G342 PolarHBondContact O-N 3.04Å; T340-G342 VanDerWaalsContact O-N 3.1Å
341	N	25.2	Very low	26.4	Very low	139 Å²	139	147 Å²	147	74%	0.743	78%	0.784	S	S	*	*			trans	-54.6	118.5	160.1	-81	-11.1	0	0	0	106.2	Y339 V343	Y339-N341 PolarHBondContact O-N 3.23Å; N341-V343 VanDerWaalsContact C-N 3.25Å; N341-V343 PolarHBondContact O-N 3.36Å
342	G	26.3	Very low	26.4	Very low	86 Å²	86	151.4 Å²	151.4	89%	0.887	79%	0.791	S	S	*	*			trans	-65.3	83.7	-173.1	0	0	0	0	0	110.9	T340	T340-G342 PolarHBondContact O-N 3.04Å; T340-G342 VanDerWaalsContact O-N 3.1Å
343	V	27.9	Very low	26.4	Very low	129 Å²	129	153.3 Å²	153.3	78%	0.782	79%	0.792	S	S	*	*			trans	-116	110.8	167.3	-174.2	0	0	0	0	106.5	N341 S345	N341-V343 VanDerWaalsContact C-N 3.25Å; N341-V343 PolarHBondContact O-N 3.36Å; V343-S345 PolarHBondContact O-N 3.29Å
344	R	25.6	Very low	26.5	Very low	235 Å²	235	156.3 Å²	156.3	89%	0.887	80%	0.802	S	S	*	*			trans	-45.9	126.6	-177.9	-85	173.4	164.6	174.5	-4	110.9	T346	R344-T346 PolarHBondContact O-N 3.23Å
345	S	27.4	Very low	26.7	Very low	97 Å²	97	160.1 Å²	160.1	68%	0.678	81%	0.805	S	S	*	*			trans	-46.8	100.6	165.7	153.8	0	0	0	0	111.1	V343 T347	V343-S345 PolarHBondContact O-N 3.29Å; S345-T347 PolarHBondContact O-N 3.3Å
346	T	26.3	Very low	26.8	Very low	136 Å²	136	158.7 Å²	158.7	83%	0.834	80%	0.802	S	S	*	*			trans	-74.1	81.4	162.2	43.6	0	0	0	0	108	R344 N348	R344-T346 PolarHBondContact O-N 3.23Å; T346-N348 PolarHBondContact O-N 3.33Å
347	T	26.5	Very low	26.7	Very low	108 Å²	108	155.3 Å²	155.3	66%	0.663	80%	0.795	S	S	*	*			trans	-55.6	109.2	166.5	11.4	0	0	0	0	109.5	S345 P349	S345-T347 PolarHBondContact O-N 3.3Å; T347-P349 WeakPolarHBondContact O-CD 3.45Å
348	N	24	Very low	26.9	Very low	160 Å²	160	158.5 Å²	158.5	86%	0.856	80%	0.801	S	S	*	*			trans	-61.6	112.4	164.8	-103.9	-35.5	0	0	0	109.3	T346 I350	T346-N348 PolarHBondContact O-N 3.33Å; N348-I350 PolarHBondContact O-N 3.04Å
349	P	32.6	Very low	27.1	Very low	110 Å²	110	163.4 Å²	163.4	71%	0.714	81%	0.812	S	S	*	*			trans	-104.4	62.5	-164.3	38.9	-31	0	0	0	112	T347	T347-P349 WeakPolarHBondContact O-CD 3.45Å
350	I	29.6	Very low	27.2	Very low	154 Å²	154	162.1 Å²	162.1	79%	0.79	81%	0.813	S	S	*	*			trans	-139.3	23.9	173	-41.4	178.8	0	0	0	113.5	N348	N348-I350 PolarHBondContact O-N 3.04Å
351	L	28.8	Very low	27.2	Very low	180 Å²	180	162.4 Å²	162.4	94%	0.942	81%	0.81	S	S	*	*			trans	-132.7	52.8	168.1	-67.4	172.6	0	0	0	111.1
352	R	24.4	Very low	27.4	Very low	238 Å²	238	163.4 Å²	163.4	90%	0.898	82%	0.816	S	S	*	*			trans	-109.4	109.3	162.5	-85.5	-173.9	-178.8	156.4	1.4	109.2
353	K	26.4	Very low	27.4	Very low	195 Å²	195	165.1 Å²	165.1	85%	0.848	81%	0.809	S	S	*	*			trans	153.9	101.2	138.2	-89.1	173.4	179.9	178.8	0	106.4
354	N	27.8	Very low	27.6	Very low	171 Å²	171	165.3 Å²	165.3	91%	0.914	81%	0.81	S	S	*	*			trans	-148.3	133.5	132.3	-94.4	-26.3	0	0	0	109.5
355	R	29.3	Very low	27.6	Very low	243 Å²	243	162.4 Å²	162.4	92%	0.917	80%	0.804	S	S	*	*			trans	-51.2	130.6	-167.2	-84.8	167.2	162.5	166.6	-6.7	112.4
356	E	26.8	Very low	27.9	Very low	170 Å²	170	162.8 Å²	162.8	79%	0.794	81%	0.806	S	S	*	*			trans	-45.7	136.7	145.8	-60.9	165.6	151.7	0	0	110.3
357	Q	26	Very low	28.7	Very low	160 Å²	160	161.5 Å²	161.5	75%	0.748	80%	0.8	S	S	*	*				141.1	133	129	-76.2	-177.3	7.3	0	0	112.7
358	K	27.6	Very low	28.6	Very low	173 Å²	173	164.8 Å²	164.8	75%	0.752	81%	0.808	S	S	*	*			trans	76.5	105.9	162	-64.3	169.8	-179.4	-177.2	0	115.3
359	Y	28.5	Very low	28.8	Very low	237 Å²	237	163.7 Å²	163.7	93%	0.929	80%	0.802	S	S	*	*				-163	90.2	105.8	-90.5	-72.9	0	0	0	107.5
360	E	25	Very low	28.6	Very low	167 Å²	167	166.4 Å²	166.4	78%	0.78	81%	0.81	S	S	*	*			trans	-86.9	140.9	161.9	-166.3	174.3	-164.5	0	0	106.7
361	N	28.3	Very low	28.4	Very low	123 Å²	123	167 Å²	167	66%	0.658	81%	0.81	S	S	*	*			trans	78.3	93.7	171	-52.7	-36.1	0	0	0	117.6
362	D	30	Very low	28.5	Very low	160 Å²	160	167.8 Å²	167.8	86%	0.856	81%	0.806	S	S	*	*			trans	-135.4	90.6	136.9	-92.9	-35.1	0	0	0	109.4	V364	D362-V364 PolarHBondContact O-N 3.47Å
363	V	26.5	Very low	28.6	Very low	122 Å²	122	164.7 Å²	164.7	74%	0.739	80%	0.801	S	S	*	*			trans	-77.8	105	163.1	171.7	0	0	0	0	106.5
364	V	31.3	Very low	28.7	Very low	133 Å²	133	164.9 Å²	164.9	81%	0.806	80%	0.802	S	S	*	*			trans	-124.3	122.9	164.1	-176.9	0	0	0	0	109	D362	D362-V364 PolarHBondContact O-N 3.47Å
365	K	26	Very low	28.7	Very low	174 Å²	174	164.1 Å²	164.1	76%	0.757	80%	0.798	S	S	*	*			trans	-79.5	146.4	-168.9	-61.1	169.5	169	177.3	0	112.6
366	S	34.8	Very low	28.6	Very low	105 Å²	105	155.8 Å²	155.8	73%	0.734	79%	0.788	S	S	*	*			trans	49.4	163.5	140	59.1	0	0	0	0	119.8
367	P	42.4	Very low	28.4	Very low	109 Å²	109	155.7 Å²	155.7	71%	0.708	79%	0.791	S	S	*	*			cis	-129.6	151.2	13.4	30.6	-7.6	0	0	0	114.2
368	E	25.4	Very low	28.4	Very low	177 Å²	177	157.3 Å²	157.3	83%	0.827	80%	0.796	S	S	*	*				43.5	95.9	89.5	-80.2	175	172.5	0	0	114.6
369	D	26.5	Very low	28.2	Very low	137 Å²	137	157.7 Å²	157.7	73%	0.733	80%	0.8	S	S	*	*				160.6	121.4	108	-102.1	-27.8	0	0	0	110.5
370	N	29.4	Very low	28	Very low	166 Å²	166	151.7 Å²	151.7	89%	0.888	79%	0.788	S	S	*	*			trans	-175.8	110.2	133.8	-92.1	-36.9	0	0	0	110.5
371	Q	26.2	Very low	27.9	Very low	167 Å²	167	149.8 Å²	149.8	78%	0.78	79%	0.788	S	S	*	*			trans	-50.1	128.6	171.6	-63.7	167.3	-11	0	0	112.2
372	K	29.9	Very low	27.6	Very low	197 Å²	197	152.9 Å²	152.9	86%	0.857	80%	0.796	S	S	*	*			trans	-132.4	104.7	143.6	-84	-170.3	177.5	179	0	108.4	K374	K372-K374 PolarHBondContact O-N 2.81Å
373	H	25.7	Very low	27.2	Very low	173 Å²	173	150.6 Å²	150.6	80%	0.801	79%	0.793	S	S	*	*			trans	-43	107.3	167.8	-81.5	-73.5	0	0	0	110.9
374	K	29.3	Very low	27.1	Very low	199 Å²	199	153.3 Å²	153.3	87%	0.865	80%	0.797	S	S	*	*			trans	-102.8	109.2	160.5	-83.9	-174.3	174.9	-178.8	0	107.3	K372 G376	K372-K374 PolarHBondContact O-N 2.81Å; K374-G376 PolarHBondContact O-N 2.74Å
375	N	27.1	Very low	26.8	Very low	154 Å²	154	153.5 Å²	153.5	82%	0.824	80%	0.798	S	S	*	*			trans	-57.3	99.5	170	-74.7	-14.6	0	0	0	108.8	I377	N375-I377 PolarHBondContact O-N 3.31Å
376	G	27	Very low	26.7	Very low	69 Å²	69	150.7 Å²	150.7	71%	0.711	80%	0.796	S	S	*	*			trans	-73.1	111.5	176.2	0	0	0	0	0	110.2	K374 K378	K374-G376 PolarHBondContact O-N 2.74Å; G376-K378 PolarHBondContact O-N 2.77Å
377	I	24.1	Very low	26.2	Very low	167 Å²	167	154.8 Å²	154.8	86%	0.856	80%	0.8	S	S	*	*			trans	-65	114.1	164	-63.9	171.7	0	0	0	106.6	N375 Q379	N375-I377 PolarHBondContact O-N 3.31Å; I377-Q379 PolarHBondContact O-N 2.68Å; I377-Q379 VanDerWaalsContact O-N 3.1Å
378	K	25	Very low	25.3	Very low	195 Å²	195	159 Å²	159	85%	0.848	81%	0.808	S	S	*	*			trans	-62.9	107.9	177.4	-77	179.7	175.9	178.2	0	109.5	G376 V380	G376-K378 PolarHBondContact O-N 2.77Å; K378-V380 PolarHBondContact O-N 3.47Å
379	Q	24.3	Very low	25.3	Very low	180 Å²	180	156 Å²	156	84%	0.841	80%	0.801	S	S	*	*			trans	-77	109.8	170.1	-148.9	173.9	18.3	0	0	107.9	I377 T381	I377-Q379 PolarHBondContact O-N 2.68Å; I377-Q379 VanDerWaalsContact O-N 3.1Å; Q379-T381 PolarHBondContact O-N 2.82Å
380	V	22.7	Very low	25.3	Very low	111 Å²	111	152.4 Å²	152.4	67%	0.673	79%	0.787	S	S	*	*			trans	-80.2	102.8	174.7	177.9	0	0	0	0	107.6	K378 F382	K378-V380 PolarHBondContact O-N 3.47Å; V380-F382 HydrophobicContact CG1-CD2 4.23Å; V380-F382 HydrophobicContact CG1-CE2 3.99Å; V380-F382 PolarHBondContact O-N 2.71Å
381	T	24	Very low	25.5	Very low	128 Å²	128	150.3 Å²	150.3	79%	0.785	78%	0.78	S	S	*	*			trans	-78.8	108.7	172.5	10.1	0	0	0	0	109.2	Q379 S383	Q379-T381 PolarHBondContact O-N 2.82Å; T381-S383 PolarHBondContact O-N 3.34Å
382	F	21.4	Very low	25.9	Very low	187 Å²	187	149.5 Å²	149.5	82%	0.82	78%	0.777	S	S	*	*			trans	-73.7	115.8	168.9	-83.2	-92.5	0	0	0	109.4	V380	V380-F382 HydrophobicContact CG1-CD2 4.23Å; V380-F382 HydrophobicContact CG1-CE2 3.99Å; V380-F382 PolarHBondContact O-N 2.71Å
383	S	21.8	Very low	26	Very low	113 Å²	113	144.9 Å²	144.9	79%	0.79	76%	0.762	S	S	*	*			trans	-103.2	77.6	174.4	57.1	0	0	0	0	109.8	T381	T381-S383 PolarHBondContact O-N 3.34Å
384	E	24.9	Very low	26.1	Very low	179 Å²	179	144.2 Å²	144.2	84%	0.836	76%	0.757	S	S	*	*			trans	-108.5	101.4	161.5	-91.6	-174.5	158.1	0	0	109	V386	E384-V386 PolarHBondContact O-N 2.84Å
385	T	24.3	Very low	26.2	Very low	136 Å²	136	140 Å²	140	83%	0.834	75%	0.747	S	S	*	*			trans	-63.9	99.1	169.5	33	0	0	0	0	109.8	K387	T385-K387 PolarHBondContact O-N 3.35Å; T385-K387 VanDerWaalsContact O-N 3.17Å
386	V	23.6	Very low	26.4	Very low	115 Å²	115	140.9 Å²	140.9	70%	0.697	74%	0.744	S	S	*	*			trans	-64.1	110.6	168.2	-178.1	0	0	0	0	108.2	E384 F388	E384-V386 PolarHBondContact O-N 2.84Å; V386-F388 WeakPolarHBondContact O-CD2 3.25Å; V386-F388 PolarHBondContact O-N 2.79Å
387	K	24.4	Very low	26.8	Very low	191 Å²	191	146.2 Å²	146.2	83%	0.83	75%	0.747	S	S	*	*			trans	-70.6	111.4	173.3	-76.8	-177.7	177.3	178.3	0	108.8	T385 V389	T385-K387 PolarHBondContact O-N 3.35Å; T385-K387 VanDerWaalsContact O-N 3.17Å; K387-V389 PolarHBondContact O-N 2.8Å
388	F	24.7	Very low	27.2	Very low	197 Å²	197	143.6 Å²	143.6	86%	0.864	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-69.4	119.9	172.5	-71.5	-91.7	0	0	0	109.7	V386	V386-F388 WeakPolarHBondContact O-CD2 3.25Å; V386-F388 PolarHBondContact O-N 2.79Å
389	V	24.3	Very low	27.4	Very low	114 Å²	114	139.7 Å²	139.7	69%	0.691	73%	0.732	S	S	*	*	P	Polyproline II helix	trans	-85.6	127.9	171.1	-179.6	0	0	0	0	107.5	K387 D393	K387-V389 PolarHBondContact O-N 2.8Å; V389-D393 HydrophobicContact CG1-CB 4.05Å
390	S	27.2	Very low	27.6	Very low	63 Å²	63	139 Å²	139	44%	0.441	73%	0.73	S	S	.	*	P	Polyproline II helix	trans	-67.5	148	-176.1	70.5	0	0	0	0	111.4	E392 D393	S390-E392 PolarHBondContact O-N 2.94Å; S390-E392 PolarHBondContact OG-OE2 3.38Å; S390-D393 PolarHBondContact O-N 3.39Å
391	T	34.3	Very low	27.9	Very low	121 Å²	121	143.1 Å²	143.1	74%	0.742	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.8	-19	-176.5	3.3	0	0	0	0	114.1	D393 F394	T391-D393 VanDerWaalsContact C-N 3.31Å; T391-D393 PolarHBondContact O-N 2.97Å; T391-F394 WeakPolarHBondContact O-CB 3.28Å; T391-F394 PolarHBondContact O-N 3.32Å; T391-F394 VanDerWaalsContact O-N 3.16Å
392	E	33.5	Very low	28	Very low	150 Å²	150	142.8 Å²	142.8	70%	0.701	74%	0.742	S	S	*	*	H	α-helix	trans	-66.9	-30.9	178.4	-70.2	143.2	169.7	0	0	112.6	S390 F394	S390-E392 PolarHBondContact O-N 2.94Å; S390-E392 PolarHBondContact OG-OE2 3.38Å; E392-F394 VanDerWaalsContact C-N 3.26Å; E392-F394 PolarHBondContact O-N 2.81Å
393	D	31.9	Very low	28.3	Very low	101 Å²	101	139 Å²	139	54%	0.54	74%	0.738	S	S	.	*	H	α-helix	trans	-71.2	-23.1	174.7	-79.6	-22	0	0	0	112.3	V389 S390 T391 K397	V389-D393 HydrophobicContact CG1-CB 4.05Å; S390-D393 PolarHBondContact O-N 3.39Å; T391-D393 VanDerWaalsContact C-N 3.31Å; T391-D393 PolarHBondContact O-N 2.97Å; D393-K397 PolarHBondContact O-N 2.71Å
394	F	28.8	Very low	28.6	Very low	159 Å²	159	140 Å²	140	70%	0.697	74%	0.74	S	S	*	*	H	α-helix	trans	-74.6	-37.7	178.1	-123.4	-87.5	0	0	0	112.2	T391 E392 K396 K397 V398	T391-F394 WeakPolarHBondContact O-CB 3.28Å; T391-F394 PolarHBondContact O-N 3.32Å; T391-F394 VanDerWaalsContact O-N 3.16Å; E392-F394 VanDerWaalsContact C-N 3.26Å; E392-F394 PolarHBondContact O-N 2.81Å; F394-K396 VanDerWaalsContact C-N 3.31Å; F394-K396 PolarHBondContact O-N 2.72Å; F394-K397 PolarHBondContact O-N 3.45Å; F394-V398 WeakPolarHBondContact O-CG2 3.31Å; F394-V398 PolarHBondContact O-N 2.89Å
395	V	31.6	Very low	28.8	Very low	110 Å²	110	138.2 Å²	138.2	67%	0.667	74%	0.736	S	S	*	*	H	α-helix	trans	-68	-33.5	-179.9	-177.5	0	0	0	0	111.4	K397 T399	V395-K397 VanDerWaalsContact C-N 3.34Å; V395-T399 PolarHBondContact O-OG1 3.32Å; V395-T399 VanDerWaalsContact O-OG1 3.08Å
396	K	30.9	Very low	29	Very low	173 Å²	173	138 Å²	138	75%	0.752	74%	0.735	S	S	*	*	H	α-helix	trans	-73.1	-24.6	176	-119.4	177.5	-176.7	175.6	0	113.6	F394	F394-K396 VanDerWaalsContact C-N 3.31Å; F394-K396 PolarHBondContact O-N 2.72Å
397	K	35.8	Very low	29.1	Very low	180 Å²	180	139.4 Å²	139.4	78%	0.783	74%	0.738	S	S	*	*	H	α-helix	trans	-84.6	-19.4	-179.6	-133	174.9	-175.1	178.5	0	113.6	D393 F394 V395	D393-K397 PolarHBondContact O-N 2.71Å; F394-K397 PolarHBondContact O-N 3.45Å; V395-K397 VanDerWaalsContact C-N 3.34Å
398	V	31.9	Very low	29.3	Very low	112 Å²	112	141.4 Å²	141.4	68%	0.679	74%	0.74	S	S	*	*	H	α-helix	trans	-87.6	-16.1	178.8	179.7	0	0	0	0	112.8	F394 M400	F394-V398 WeakPolarHBondContact O-CG2 3.31Å; F394-V398 PolarHBondContact O-N 2.89Å; V398-M400 PolarHBondContact O-N 3.11Å
399	T	30.1	Very low	29.5	Very low	114 Å²	114	137.6 Å²	137.6	70%	0.699	74%	0.738	S	S	*	*	S	Bend	trans	-87.8	3.3	179.8	20.3	0	0	0	0	115.7	V395	V395-T399 PolarHBondContact O-OG1 3.32Å; V395-T399 VanDerWaalsContact O-OG1 3.08Å
400	M	27.9	Very low	29.7	Very low	164 Å²	164	138.4 Å²	138.4	81%	0.808	74%	0.743	S	S	*	*	S	Bend	trans	-115.1	87	170.5	-81.3	-164.8	156.8	0	0	111.1	V398	V398-M400 PolarHBondContact O-N 3.11Å
401	K	28	Very low	29.7	Very low	198 Å²	198	140.8 Å²	140.8	86%	0.861	76%	0.755	S	S	*	*			trans	164.8	53.1	145.6	-88	164.4	-175	-171.2	0	110.6
402	S	27.8	Very low	29.4	Very low	122 Å²	122	140.6 Å²	140.6	85%	0.853	76%	0.756	S	S	*	*			trans	-104.2	76.6	161	173.1	0	0	0	0	107.5
403	S	26.2	Very low	29.2	Very low	106 Å²	106	142.1 Å²	142.1	74%	0.741	76%	0.763	S	S	*	*			trans	-169.1	63	169.5	49.8	0	0	0	0	110
404	V	28.8	Very low	29	Very low	135 Å²	135	145 Å²	145	82%	0.818	78%	0.777	S	S	*	*			trans	-116.2	108.9	159.5	-177.3	0	0	0	0	107.6	V406	V404-V406 PolarHBondContact O-N 3.1Å
405	N	28.1	Very low	29	Very low	141 Å²	141	145 Å²	145	75%	0.754	78%	0.783	S	S	*	*			trans	-56.6	110.9	-176.9	-159.9	-2	0	0	0	110.4	N407	N405-N407 VanDerWaalsContact C-N 3.31Å; N405-N407 PolarHBondContact O-N 2.97Å
406	V	28.5	Very low	28.8	Very low	133 Å²	133	145 Å²	145	81%	0.806	79%	0.786	S	S	*	*			trans	-75	85.8	171.8	-178.1	0	0	0	0	107.3	V404	V404-V406 PolarHBondContact O-N 3.1Å
407	N	26.9	Very low	28.7	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	79%	0.785	S	S	*	*			trans	-164.7	79.9	165.4	-92.6	-28.9	0	0	0	109.9	N405	N405-N407 VanDerWaalsContact C-N 3.31Å; N405-N407 PolarHBondContact O-N 2.97Å
408	R	28.9	Very low	28.4	Very low	233 Å²	233	138.9 Å²	138.9	88%	0.879	78%	0.784	S	S	*	*			trans	-160.9	105.8	147.7	-113.3	174	-173.5	-174.9	1.2	109.2	V410	R408-V410 PolarHBondContact O-N 2.64Å
409	S	27.4	Very low	28.1	Very low	118 Å²	118	142 Å²	142	83%	0.825	79%	0.794	S	S	*	*			trans	-52.1	102.4	160.9	51.3	0	0	0	0	109.2
410	V	29.5	Very low	28	Very low	130 Å²	130	143.3 Å²	143.3	79%	0.788	80%	0.801	S	S	*	*			trans	-91.1	104	166.6	-179.7	0	0	0	0	106	R408	R408-V410 PolarHBondContact O-N 2.64Å
411	T	27	Very low	28	Very low	114 Å²	114	146.7 Å²	146.7	70%	0.699	81%	0.805	S	S	*	*			trans	-56.1	134.3	169.5	-17.5	0	0	0	0	108.3	E413	T411-E413 PolarHBondContact O-N 2.71Å; T411-E413 VanDerWaalsContact O-N 3.08Å
412	P	28.4	Very low	28	Very low	117 Å²	117	140.3 Å²	140.3	76%	0.76	80%	0.796	S	S	*	*			trans	-64.7	114	-176.3	23.8	-30.9	0	0	0	109.9	I414	P412-I414 PolarHBondContact O-N 3.4Å
413	E	29.1	Very low	27.9	Very low	182 Å²	182	142.1 Å²	142.1	85%	0.85	79%	0.794	S	S	*	*			trans	-62.6	118.2	168.1	-82.3	-175.1	157.2	0	0	108.5	T411 L415	T411-E413 PolarHBondContact O-N 2.71Å; T411-E413 VanDerWaalsContact O-N 3.08Å; E413-L415 PolarHBondContact O-N 2.58Å
414	I	27.7	Very low	28	Very low	162 Å²	162	141.7 Å²	141.7	83%	0.831	79%	0.791	S	S	*	*			trans	-57.3	104.3	171.8	-64.8	163.9	0	0	0	107.1	P412	P412-I414 PolarHBondContact O-N 3.4Å
415	L	28.2	Very low	27.9	Very low	157 Å²	157	141.1 Å²	141.1	82%	0.822	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-57	127.5	168.2	-86.4	155.7	0	0	0	108.2	E413 S417	E413-L415 PolarHBondContact O-N 2.58Å; L415-S417 PolarHBondContact O-N 2.74Å
416	P	28	Very low	28	Very low	112 Å²	112	142.7 Å²	142.7	73%	0.727	79%	0.791	S	S	*	*	P	Polyproline II helix	trans	-66.4	128.7	-176.2	26	-30.9	0	0	0	109.6
417	S	28.5	Very low	28	Very low	106 Å²	106	142.2 Å²	142.2	74%	0.741	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-50.7	134.2	175.6	-51.9	0	0	0	0	110.4	L415 M419	L415-S417 PolarHBondContact O-N 2.74Å; S417-M419 PolarHBondContact O-N 2.73Å
418	P	29.4	Very low	28.1	Very low	117 Å²	117	141 Å²	141	76%	0.76	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-62.1	123.5	-178	24.2	-31	0	0	0	109.1	V420	P418-V420 PolarHBondContact O-N 3.26Å
419	M	26.9	Very low	28	Very low	178 Å²	178	137.2 Å²	137.2	88%	0.877	79%	0.785	S	S	*	*			trans	-52.3	113.2	172	-78.8	176.6	84.1	0	0	108.7	S417 R421	S417-M419 PolarHBondContact O-N 2.73Å; M419-R421 PolarHBondContact O-N 3.46Å
420	V	26.6	Very low	28	Very low	142 Å²	142	136.6 Å²	136.6	86%	0.861	78%	0.778	S	S	*	*			trans	-60.6	89.4	166.7	-179.6	0	0	0	0	107.2	P418 G422	P418-V420 PolarHBondContact O-N 3.26Å; V420-G422 PolarHBondContact O-N 2.72Å; V420-G422 VanDerWaalsContact O-N 3.13Å
421	R	28.1	Very low	28.1	Very low	234 Å²	234	136.2 Å²	136.2	88%	0.883	78%	0.778	S	S	*	*			trans	-70.1	107.2	166.4	-99.8	-174.9	175.2	-178.8	-0.3	106.5	M419 I423	M419-R421 PolarHBondContact O-N 3.46Å; R421-I423 PolarHBondContact O-N 3.1Å
422	G	27.6	Very low	28	Very low	65 Å²	65	139 Å²	139	67%	0.67	78%	0.783	S	S	*	*			trans	-44.9	125.9	179.4	0	0	0	0	0	111.6	V420 S424	V420-G422 PolarHBondContact O-N 2.72Å; V420-G422 VanDerWaalsContact O-N 3.13Å; G422-S424 PolarHBondContact O-N 3.34Å
423	I	25.3	Very low	28	Very low	159 Å²	159	139.7 Å²	139.7	82%	0.815	79%	0.785	S	S	*	*			trans	-60.2	99.7	171.5	-58.9	161.8	0	0	0	106.3	R421 T425	R421-I423 PolarHBondContact O-N 3.1Å; I423-T425 PolarHBondContact O-N 2.74Å; I423-T425 VanDerWaalsContact O-N 3.09Å
424	S	29.3	Very low	27.9	Very low	98 Å²	98	136.8 Å²	136.8	69%	0.685	78%	0.78	S	S	*	*			trans	-70.9	101.6	167.1	170.5	0	0	0	0	106.9	G422 Q426	G422-S424 PolarHBondContact O-N 3.34Å; S424-Q426 PolarHBondContact O-N 3.29Å
425	T	27	Very low	27.8	Very low	122 Å²	122	134.8 Å²	134.8	75%	0.748	78%	0.775	S	S	*	*			trans	-57.4	80.9	169.6	34.4	0	0	0	0	110.8	I423 T427	I423-T425 PolarHBondContact O-N 2.74Å; I423-T425 VanDerWaalsContact O-N 3.09Å; T425-T427 PolarHBondContact O-N 3.39Å
426	Q	29	Very low	27.8	Very low	175 Å²	175	133.3 Å²	133.3	82%	0.818	77%	0.772	S	S	*	*			trans	-76.8	104.6	158.9	-82.7	-174.7	0.3	0	0	107.7	S424	S424-Q426 PolarHBondContact O-N 3.29Å
427	T	29.9	Very low	27.7	Very low	123 Å²	123	134.8 Å²	134.8	76%	0.755	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-54.4	130.1	172.8	-21.6	0	0	0	0	108.7	T425 L429	T425-T427 PolarHBondContact O-N 3.39Å; T427-L429 PolarHBondContact O-N 2.79Å
428	P	28.4	Very low	27.5	Very low	117 Å²	117	135.2 Å²	135.2	76%	0.76	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-63.5	126.9	-176.4	23.6	-31.4	0	0	0	110
429	L	26.2	Very low	27.4	Very low	154 Å²	154	136.8 Å²	136.8	81%	0.806	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-58	130.8	173.8	-87.6	105.1	0	0	0	109.7	T427	T427-L429 PolarHBondContact O-N 2.79Å
430	P	28.4	Very low	27.3	Very low	104 Å²	104	133.8 Å²	133.8	68%	0.675	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-68	151.4	176.8	27.3	-32	0	0	0	111.1	Q432	P430-Q432 PolarHBondContact O-N 3.43Å
431	P	30.7	Very low	27.3	Very low	123 Å²	123	133.8 Å²	133.8	80%	0.799	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-62.1	118.9	-169.5	23.2	-32.6	0	0	0	111.6	T433	P431-T433 PolarHBondContact O-N 2.81Å
432	Q	26.4	Very low	27.2	Very low	173 Å²	173	130 Å²	130	81%	0.808	76%	0.764	S	S	*	*			trans	-67.3	115.9	171.1	-73.6	-175.8	-4.9	0	0	109.3	P430 T434	P430-Q432 PolarHBondContact O-N 3.43Å; Q432-T434 PolarHBondContact O-N 2.82Å
433	T	26.7	Very low	27.1	Very low	130 Å²	130	131 Å²	131	80%	0.798	77%	0.766	S	S	*	*			trans	-76	98	175	-25.8	0	0	0	0	108.2	P431 V435	P431-T433 PolarHBondContact O-N 2.81Å; T433-V435 PolarHBondContact O-N 3.14Å; T433-V435 VanDerWaalsContact O-N 3.08Å
434	T	28.1	Very low	27.1	Very low	121 Å²	121	129.4 Å²	129.4	74%	0.742	76%	0.764	S	S	*	*			trans	-74.9	98.4	172.3	-39.2	0	0	0	0	108.5	Q432 V436	Q432-T434 PolarHBondContact O-N 2.82Å; T434-V436 HydrophobicContact CG2-CG2 4.37Å; T434-V436 PolarHBondContact O-N 2.84Å
435	V	25.5	Very low	26.9	Very low	121 Å²	121	131.3 Å²	131.3	73%	0.733	77%	0.765	S	S	*	*			trans	-69.2	94.1	170.9	179.9	0	0	0	0	107.8	T433 N437	T433-V435 PolarHBondContact O-N 3.14Å; T433-V435 VanDerWaalsContact O-N 3.08Å; V435-N437 PolarHBondContact O-N 2.82Å
436	V	27.8	Very low	26.7	Very low	125 Å²	125	130.8 Å²	130.8	76%	0.758	76%	0.762	S	S	*	*			trans	-80.7	104.1	170.1	179.5	0	0	0	0	107.3	T434 T438	T434-V436 HydrophobicContact CG2-CG2 4.37Å; T434-V436 PolarHBondContact O-N 2.84Å; V436-T438 PolarHBondContact O-N 3.49Å
437	N	25.9	Very low	26.7	Very low	144 Å²	144	127.3 Å²	127.3	77%	0.77	75%	0.753	S	S	*	*			trans	-58.7	128.2	178.3	-126	-6.2	0	0	0	110.2	V435	V435-N437 PolarHBondContact O-N 2.82Å
438	T	25.2	Very low	26.4	Very low	114 Å²	114	128.4 Å²	128.4	70%	0.699	75%	0.754	S	S	*	*			trans	-59.6	136.3	174.2	43.9	0	0	0	0	111.9	V436	V436-T438 PolarHBondContact O-N 3.49Å
439	N	26.8	Very low	26.4	Very low	150 Å²	150	129.4 Å²	129.4	80%	0.802	75%	0.751	S	S	*	*			trans	-165.5	106.3	140.6	-92.6	-19.1	0	0	0	111.4
440	T	24	Very low	26.4	Very low	116 Å²	116	127.5 Å²	127.5	71%	0.712	75%	0.748	S	S	*	*			trans	47.1	111.1	139.8	33.2	0	0	0	0	119.6
441	T	28	Very low	26.3	Very low	141 Å²	141	131.6 Å²	131.6	87%	0.865	76%	0.758	S	S	*	*				-158.9	126.6	108.4	-7	0	0	0	0	110.6	A443	T441-A443 PolarHBondContact O-N 3.1Å
442	N	25.3	Very low	26.2	Very low	156 Å²	156	130.8 Å²	130.8	83%	0.834	76%	0.755	S	S	*	*			trans	-61.8	109.5	-180	-65.7	-27	0	0	0	110.9
443	A	26.1	Very low	26.3	Very low	85 Å²	85	127 Å²	127	70%	0.702	75%	0.746	S	S	*	*			trans	-108.5	93.5	157.9	0	0	0	0	0	107.2	T441 I445	T441-A443 PolarHBondContact O-N 3.1Å; A443-I445 VanDerWaalsContact C-N 3.35Å; A443-I445 PolarHBondContact O-N 3.31Å
444	T	24.4	Very low	26.2	Very low	126 Å²	126	127.2 Å²	127.2	77%	0.773	75%	0.747	S	S	*	*			trans	-62.7	94.1	171.5	-48.8	0	0	0	0	108.3
445	I	25.4	Very low	26.2	Very low	137 Å²	137	128 Å²	128	70%	0.703	75%	0.745	S	S	*	*			trans	-97.9	99.9	167.4	-57	177.9	0	0	0	106.2	A443 T447	A443-I445 VanDerWaalsContact C-N 3.35Å; A443-I445 PolarHBondContact O-N 3.31Å; I445-T447 VanDerWaalsContact C-N 3.3Å; I445-T447 HydrophobicContact CG2-CG2 4.17Å; I445-T447 PolarHBondContact O-N 3.2Å
446	T	23.6	Very low	26.1	Very low	112 Å²	112	127.7 Å²	127.7	69%	0.687	74%	0.743	S	S	*	*			trans	-70.8	85.9	173.2	-25.7	0	0	0	0	108.2	N448	T446-N448 PolarHBondContact O-N 3.02Å
447	T	27.2	Very low	26.1	Very low	102 Å²	102	127 Å²	127	63%	0.626	74%	0.744	S	S	*	*			trans	-79	99.6	166.8	42.6	0	0	0	0	108.3	I445 I449	I445-T447 VanDerWaalsContact C-N 3.3Å; I445-T447 HydrophobicContact CG2-CG2 4.17Å; I445-T447 PolarHBondContact O-N 3.2Å; T447-I449 PolarHBondContact O-N 2.73Å
448	N	24.9	Very low	26.1	Very low	145 Å²	145	127.4 Å²	127.4	78%	0.775	75%	0.746	S	S	*	*			trans	-64	87.4	161.5	-70.6	-19	0	0	0	107.7	T446 P450	T446-N448 PolarHBondContact O-N 3.02Å; N448-P450 VanDerWaalsContact O-CD 3.3Å; N448-P450 WeakPolarHBondContact O-CD 3.26Å
449	I	28	Very low	26.1	Very low	139 Å²	139	130.2 Å²	130.2	71%	0.713	75%	0.751	S	S	*	*			trans	-75.5	112.7	164.8	-61.2	173.1	0	0	0	104.9	T447 E451	T447-I449 PolarHBondContact O-N 2.73Å; I449-E451 PolarHBondContact O-N 3.05Å
450	P	25.9	Very low	26	Very low	113 Å²	113	131.6 Å²	131.6	73%	0.734	75%	0.75	S	S	*	*			trans	-64.9	126.8	170.7	-6.5	22.8	0	0	0	106.9	N448 S452	N448-P450 VanDerWaalsContact O-CD 3.3Å; N448-P450 WeakPolarHBondContact O-CD 3.26Å; P450-S452 PolarHBondContact O-N 3.24Å
451	E	27.6	Very low	26.2	Very low	191 Å²	191	133.3 Å²	133.3	89%	0.893	76%	0.755	S	S	*	*			trans	-54.1	102.4	173.6	-69.9	177.1	157.9	0	0	109	I449	I449-E451 PolarHBondContact O-N 3.05Å
452	S	27.2	Very low	26.2	Very low	105 Å²	105	133.9 Å²	133.9	73%	0.734	75%	0.753	S	S	*	*			trans	-65.5	122.3	164.9	-175.7	0	0	0	0	106.8	P450 V454	P450-S452 PolarHBondContact O-N 3.24Å; S452-V454 PolarHBondContact O-N 3.01Å; S452-V454 VanDerWaalsContact O-N 3.1Å
453	P	28.3	Very low	26.3	Very low	95 Å²	95	133.5 Å²	133.5	62%	0.617	75%	0.751	S	S	*	*			trans	-66.8	117.5	-174.9	26.2	-31.4	0	0	0	108.9	I455	P453-I455 VanDerWaalsContact C-N 3.27Å; P453-I455 HydrophobicContact CB-CG1 4.26Å; P453-I455 PolarHBondContact O-N 3.48Å
454	V	25	Very low	26.3	Very low	133 Å²	133	137.3 Å²	137.3	81%	0.806	75%	0.754	S	S	*	*			trans	-65.2	90.5	166.3	178.3	0	0	0	0	107.1	S452 V456	S452-V454 PolarHBondContact O-N 3.01Å; S452-V454 VanDerWaalsContact O-N 3.1Å; V454-V456 HydrophobicContact CG1-CG2 4.18Å; V454-V456 PolarHBondContact O-N 3.27Å
455	I	27.5	Very low	26.3	Very low	139 Å²	139	140.7 Å²	140.7	71%	0.713	76%	0.758	S	S	*	*			trans	-88.4	100.3	170.5	-59	177	0	0	0	107	P453 S457	P453-I455 VanDerWaalsContact C-N 3.27Å; P453-I455 HydrophobicContact CB-CG1 4.26Å; P453-I455 PolarHBondContact O-N 3.48Å; I455-S457 PolarHBondContact O-N 3.04Å
456	V	24.8	Very low	26.4	Very low	113 Å²	113	142.4 Å²	142.4	69%	0.685	76%	0.761	S	S	*	*			trans	-64.8	105.4	167.9	-179.5	0	0	0	0	107.6	V454 N458	V454-V456 HydrophobicContact CG1-CG2 4.18Å; V454-V456 PolarHBondContact O-N 3.27Å; V456-N458 PolarHBondContact O-N 3.27Å
457	S	27	Very low	26.4	Very low	112 Å²	112	145 Å²	145	78%	0.783	77%	0.769	S	S	*	*			trans	-80.6	100.7	175.5	39.9	0	0	0	0	110.1	I455	I455-S457 PolarHBondContact O-N 3.04Å
458	N	26.2	Very low	26.3	Very low	151 Å²	151	148.4 Å²	148.4	81%	0.807	78%	0.778	S	S	*	*			trans	-72.5	140.1	164.4	-89.6	-21.6	0	0	0	110.4	V456	V456-N458 PolarHBondContact O-N 3.27Å
459	E	24.4	Very low	26.4	Very low	173 Å²	173	146.6 Å²	146.6	81%	0.808	78%	0.777	S	S	*	*			trans	-52.6	156.4	177.3	-68.6	179.2	131.9	0	0	115
460	K	26.1	Very low	26.1	Very low	179 Å²	179	147.1 Å²	147.1	78%	0.778	78%	0.78	S	S	*	*			trans	78.6	90.2	162.7	-65.3	170.3	-177.7	173.5	0	116.7
461	N	26.7	Very low	26.1	Very low	152 Å²	152	150 Å²	150	81%	0.813	78%	0.784	S	S	*	*				-176.3	139.5	99.6	-94.5	-23.2	0	0	0	110	D463	N461-D463 PolarHBondContact O-N 2.96Å
462	N	28.4	Very low	25.9	Very low	154 Å²	154	149.6 Å²	149.6	82%	0.824	78%	0.782	S	S	*	*			trans	-54.9	116.4	166	-64.3	-35.6	0	0	0	108.1
463	D	27.3	Very low	25.7	Very low	148 Å²	148	150 Å²	150	79%	0.791	78%	0.784	S	S	*	*			trans	-165.9	138.3	139.9	-85.4	-29.1	0	0	0	108	N461 F465	N461-D463 PolarHBondContact O-N 2.96Å; D463-F465 PolarHBondContact O-N 3.29Å
464	E	26.7	Very low	25.5	Very low	164 Å²	164	151 Å²	151	77%	0.766	79%	0.793	S	S	*	*			trans	-50.6	113.1	-165.7	-63.5	169.3	151.9	0	0	113.2	F466	E464-F466 HydrophobicContact CB-CD2 4.3Å; E464-F466 HydrophobicContact CB-CE2 4.05Å; E464-F466 PolarHBondContact O-N 3.05Å
465	F	25.1	Very low	25.6	Very low	197 Å²	197	150.2 Å²	150.2	86%	0.864	79%	0.793	S	S	*	*			trans	-70.2	94.3	170.6	-85.4	-90.5	0	0	0	110.1	D463 L467	D463-F465 PolarHBondContact O-N 3.29Å; F465-L467 PolarHBondContact O-N 2.76Å
466	F	26.7	Very low	25.5	Very low	174 Å²	174	152.7 Å²	152.7	76%	0.763	80%	0.801	S	S	*	*			trans	-75	98.1	161.8	-77.9	-87.9	0	0	0	109.3	E464 Q468	E464-F466 HydrophobicContact CB-CD2 4.3Å; E464-F466 HydrophobicContact CB-CE2 4.05Å; E464-F466 PolarHBondContact O-N 3.05Å; F466-Q468 VanDerWaalsContact C-N 3.32Å; F466-Q468 PolarHBondContact O-N 2.91Å
467	L	24.5	Very low	25.4	Very low	165 Å²	165	150.8 Å²	150.8	86%	0.864	81%	0.805	S	S	*	*			trans	-70.6	88.2	166	-79.5	161.9	0	0	0	108.9	F465 S469	F465-L467 PolarHBondContact O-N 2.76Å; L467-S469 PolarHBondContact O-N 3.15Å
468	Q	25.2	Very low	25.3	Very low	174 Å²	174	154.7 Å²	154.7	81%	0.813	81%	0.808	S	S	*	*			trans	-80.9	91.2	168.1	-165.5	163.4	13.6	0	0	108.4	F466 I470	F466-Q468 VanDerWaalsContact C-N 3.32Å; F466-Q468 PolarHBondContact O-N 2.91Å; Q468-I470 PolarHBondContact O-N 2.77Å; Q468-I470 VanDerWaalsContact O-N 3.09Å
469	S	26.2	Very low	25.1	Very low	108 Å²	108	154.1 Å²	154.1	76%	0.755	81%	0.81	S	S	*	*			trans	-62.7	105.9	169.7	50.4	0	0	0	0	109.4	L467 E471	L467-S469 PolarHBondContact O-N 3.15Å; S469-E471 PolarHBondContact O-N 3.12Å; S469-E471 VanDerWaalsContact O-N 3.14Å
470	I	22.3	Very low	25.1	Very low	149 Å²	149	154.1 Å²	154.1	76%	0.764	81%	0.81	S	S	*	*			trans	-76.8	94.7	170.6	-58.6	171.8	0	0	0	106.3	Q468 E472	Q468-I470 PolarHBondContact O-N 2.77Å; Q468-I470 VanDerWaalsContact O-N 3.09Å; I470-E472 HydrophobicContact CG2-CG 4.49Å; I470-E472 PolarHBondContact O-N 3.05Å
471	E	25.9	Very low	24.9	Very low	175 Å²	175	152.1 Å²	152.1	82%	0.818	81%	0.813	S	S	*	*			trans	-78.9	101.3	170.7	-151.7	170.6	-158	0	0	107.3	S469 C473	S469-E471 PolarHBondContact O-N 3.12Å; S469-E471 VanDerWaalsContact O-N 3.14Å; E471-C473 VanDerWaalsContact C-N 3.27Å; E471-C473 PolarHBondContact O-N 3.03Å
472	E	21.6	Very low	24.7	Very low	181 Å²	181	152.6 Å²	152.6	85%	0.846	82%	0.815	S	S	*	*			trans	-66.1	86.3	173.4	-76.5	-176.4	158.1	0	0	109.5	I470 S474	I470-E472 HydrophobicContact CG2-CG 4.49Å; I470-E472 PolarHBondContact O-N 3.05Å; E472-S474 PolarHBondContact O-N 3.09Å; E472-S474 VanDerWaalsContact O-N 3.1Å
473	C	24.8	Very low	24.5	Very low	115 Å²	115	153.2 Å²	153.2	78%	0.777	82%	0.817	S	S	*	*			trans	-69.1	102.2	170.6	-115.4	0	0	0	0	109.1	E471 S475	E471-C473 VanDerWaalsContact C-N 3.27Å; E471-C473 PolarHBondContact O-N 3.03Å; C473-S475 PolarHBondContact O-N 2.91Å
474	S	23.3	Very low	24.3	Very low	115 Å²	115	152.2 Å²	152.2	80%	0.804	82%	0.817	S	S	*	*			trans	-65.9	100	171.8	63.7	0	0	0	0	109.8	E472 E476	E472-S474 PolarHBondContact O-N 3.09Å; E472-S474 VanDerWaalsContact O-N 3.1Å; S474-E476 PolarHBondContact O-N 3.02Å; S474-E476 VanDerWaalsContact O-N 3.15Å
475	S	27.9	Very low	24.2	Very low	117 Å²	117	153.4 Å²	153.4	82%	0.818	82%	0.819	S	S	*	*			trans	-75.1	94.9	175.2	55.5	0	0	0	0	110.7	C473 G477	C473-S475 PolarHBondContact O-N 2.91Å; S475-G477 PolarHBondContact O-N 3.11Å
476	E	24.8	Very low	24	Very low	190 Å²	190	149.7 Å²	149.7	89%	0.888	82%	0.818	S	S	*	*			trans	-74.9	103.3	159.3	-89.7	-177.5	157.9	0	0	108.6	S474 K478	S474-E476 PolarHBondContact O-N 3.02Å; S474-E476 VanDerWaalsContact O-N 3.15Å; E476-K478 PolarHBondContact O-N 3.26Å
477	G	22.4	Very low	23.9	Very low	74 Å²	74	147.3 Å²	147.3	76%	0.763	82%	0.818	S	S	*	*			trans	-62.5	105.1	-178.4	0	0	0	0	0	112.5	S475	S475-G477 PolarHBondContact O-N 3.11Å
478	K	23.9	Very low	23.8	Very low	194 Å²	194	144.9 Å²	144.9	84%	0.843	81%	0.814	S	S	*	*			trans	-89	106.9	153.6	-78.4	-178.6	178.7	175.2	0	108.1	E476 E480	E476-K478 PolarHBondContact O-N 3.26Å; K478-E480 PolarHBondContact O-N 3.02Å
479	T	22.6	Very low	23.6	Very low	139 Å²	139	142.1 Å²	142.1	85%	0.853	81%	0.813	S	S	*	*			trans	-69.7	89.2	173	47.5	0	0	0	0	109.8
480	E	24.3	Very low	23.4	Very low	173 Å²	173	142.5 Å²	142.5	81%	0.808	81%	0.813	S	S	*	*			trans	-87.6	108.4	161.9	-76.6	-175	171.7	0	0	108.5	K478 L482	K478-E480 PolarHBondContact O-N 3.02Å; E480-L482 PolarHBondContact O-N 3.12Å
481	T	21.8	Very low	23.5	Very low	137 Å²	137	143 Å²	143	84%	0.84	82%	0.817	S	S	*	*			trans	-60.3	95.4	172.7	26.6	0	0	0	0	110.2	L483	T481-L483 PolarHBondContact O-N 3.3Å; T481-L483 VanDerWaalsContact O-N 3.08Å
482	L	23.6	Very low	23.4	Very low	162 Å²	162	143.3 Å²	143.3	85%	0.848	82%	0.819	S	S	*	*			trans	-66.1	100.9	167.4	-79.9	161.3	0	0	0	109.1	E480 T484	E480-L482 PolarHBondContact O-N 3.12Å; L482-T484 VanDerWaalsContact C-N 3.34Å; L482-T484 PolarHBondContact O-N 3.47Å
483	L	23	Very low	23.5	Very low	166 Å²	166	142 Å²	142	87%	0.869	82%	0.817	S	S	*	*			trans	-65.5	94.2	165.7	-92	151.8	0	0	0	108.7	T481 K485	T481-L483 PolarHBondContact O-N 3.3Å; T481-L483 VanDerWaalsContact O-N 3.08Å; L483-K485 PolarHBondContact O-N 3.08Å
484	T	23.4	Very low	23.5	Very low	128 Å²	128	140.4 Å²	140.4	79%	0.785	81%	0.811	S	S	*	*			trans	-62.3	92.1	169.1	47	0	0	0	0	109.8	L482	L482-T484 VanDerWaalsContact C-N 3.34Å; L482-T484 PolarHBondContact O-N 3.47Å
485	K	23.9	Very low	23.5	Very low	188 Å²	188	142.3 Å²	142.3	82%	0.817	81%	0.808	S	S	*	*			trans	-88	101.9	160.6	-93.3	-177.4	176.1	177.8	0	108.4	L483 T487	L483-K485 PolarHBondContact O-N 3.08Å; K485-T487 PolarHBondContact O-N 2.82Å; K485-T487 VanDerWaalsContact O-N 3.13Å
486	S	21.1	Very low	23.3	Very low	119 Å²	119	144.7 Å²	144.7	83%	0.832	81%	0.805	S	S	*	*			trans	-59.3	105.1	170.6	-45.9	0	0	0	0	110.2
487	T	26.3	Very low	23.3	Very low	125 Å²	125	141 Å²	141	77%	0.767	80%	0.796	S	S	*	*			trans	-115.4	101.6	163	48.6	0	0	0	0	108.1	K485 C489	K485-T487 PolarHBondContact O-N 2.82Å; K485-T487 VanDerWaalsContact O-N 3.13Å; T487-C489 PolarHBondContact O-N 2.95Å
488	S	22.5	Very low	23.4	Very low	113 Å²	113	145.3 Å²	145.3	79%	0.79	80%	0.801	S	S	*	*			trans	-50.4	122.3	173.7	50.3	0	0	0	0	111.7	P490	S488-P490 WeakPolarHBondContact O-CD 3.41Å
489	C	19.6	Very low	23.4	Very low	116 Å²	116	142.2 Å²	142.2	78%	0.784	79%	0.793	S	S	*	*			trans	-64.9	128	165.3	-55.2	0	0	0	0	110.5	T487	T487-C489 PolarHBondContact O-N 2.95Å
490	P	23.4	Very low	23.5	Very low	117 Å²	117	142.5 Å²	142.5	76%	0.76	79%	0.79	S	S	*	*			trans	-100.2	101.1	154.3	21.4	-2.7	0	0	0	108.2	S488 Q492	S488-P490 WeakPolarHBondContact O-CD 3.41Å; P490-Q492 PolarHBondContact O-N 3.47Å; P490-Q492 VanDerWaalsContact O-N 3.13Å
491	N	22.9	Very low	23.6	Very low	159 Å²	159	143.9 Å²	143.9	85%	0.85	80%	0.796	S	S	*	*			trans	-59.3	105.6	157.5	-84.3	-28.4	0	0	0	108.5
492	Q	24.6	Very low	23.8	Very low	181 Å²	181	142.4 Å²	142.4	85%	0.846	79%	0.791	S	S	*	*			trans	-132.7	99.7	155.9	-74.5	-165.7	-7.6	0	0	109.8	P490 A494	P490-Q492 PolarHBondContact O-N 3.47Å; P490-Q492 VanDerWaalsContact O-N 3.13Å; Q492-A494 PolarHBondContact O-N 2.92Å
493	L	24.1	Very low	23.9	Very low	155 Å²	155	145.9 Å²	145.9	81%	0.812	79%	0.793	S	S	*	*			trans	-61.5	88	168	-160.6	88.2	0	0	0	108.9	Q495	L493-Q495 HydrophobicContact CD2-CG 4.24Å; L493-Q495 PolarHBondContact O-N 3.16Å; L493-Q495 VanDerWaalsContact O-N 3.15Å
494	A	24.4	Very low	24	Very low	80 Å²	80	143.6 Å²	143.6	66%	0.661	79%	0.788	S	S	*	*			trans	-80.3	90.8	168.8	0	0	0	0	0	108.8	Q492 H496	Q492-A494 PolarHBondContact O-N 2.92Å; A494-H496 VanDerWaalsContact C-N 3.34Å; A494-H496 PolarHBondContact O-N 3.39Å
495	Q	23.2	Very low	24.1	Very low	155 Å²	155	144.2 Å²	144.2	72%	0.724	79%	0.792	S	S	*	*			trans	-61.8	92	165.3	-71.3	176.8	-17.1	0	0	109.1	L493 T497	L493-Q495 HydrophobicContact CD2-CG 4.24Å; L493-Q495 PolarHBondContact O-N 3.16Å; L493-Q495 VanDerWaalsContact O-N 3.15Å; Q495-T497 PolarHBondContact O-N 2.78Å
496	H	24	Very low	24.2	Very low	167 Å²	167	138.8 Å²	138.8	77%	0.773	78%	0.777	S	S	*	*			trans	-85.4	91.8	161.5	-86.5	-81.5	0	0	0	108.7	A494 L498	A494-H496 VanDerWaalsContact C-N 3.34Å; A494-H496 PolarHBondContact O-N 3.39Å; H496-L498 VanDerWaalsContact C-N 3.31Å; H496-L498 PolarHBondContact O-N 3.32Å
497	T	23.6	Very low	24.4	Very low	113 Å²	113	140.7 Å²	140.7	69%	0.693	78%	0.778	S	S	*	*			trans	-61.6	88.4	166.2	-41	0	0	0	0	108.9	Q495 N499	Q495-T497 PolarHBondContact O-N 2.78Å; T497-N499 PolarHBondContact O-N 3.37Å; T497-N499 VanDerWaalsContact O-N 3.07Å
498	L	25.9	Very low	24.3	Very low	165 Å²	165	143.4 Å²	143.4	86%	0.864	78%	0.779	S	S	*	*			trans	-82.5	74.5	169.3	-92	154.4	0	0	0	109.2	H496	H496-L498 VanDerWaalsContact C-N 3.31Å; H496-L498 PolarHBondContact O-N 3.32Å
499	N	23.6	Very low	24.4	Very low	128 Å²	128	145.7 Å²	145.7	68%	0.684	78%	0.777	S	S	*	*			trans	-70.7	114.5	151	-84.9	-18.9	0	0	0	107	T497	T497-N499 PolarHBondContact O-N 3.37Å; T497-N499 VanDerWaalsContact O-N 3.07Å
500	N	25.2	Very low	24.8	Very low	146 Å²	146	148.9 Å²	148.9	78%	0.781	78%	0.778	S	S	*	*				176.8	126.4	126.8	-88	-22.2	0	0	0	111.8	S502	N500-S502 PolarHBondContact O-N 2.97Å; N500-S502 VanDerWaalsContact O-N 3.11Å
501	H	26.2	Very low	24.9	Very low	202 Å²	202	151.2 Å²	151.2	94%	0.935	78%	0.784	S	S	*	*			trans	-52.4	105.1	169.9	-59.3	-74.4	0	0	0	111.8
502	S	26.5	Very low	25	Very low	105 Å²	105	148 Å²	148	73%	0.734	77%	0.773	S	S	*	*			trans	-128.8	90.7	157.3	34.9	0	0	0	0	107	N500 P504	N500-S502 PolarHBondContact O-N 2.97Å; N500-S502 VanDerWaalsContact O-N 3.11Å; S502-P504 VanDerWaalsContact O-CD 3.27Å; S502-P504 WeakPolarHBondContact O-CD 3.32Å
503	R	24.1	Very low	25.1	Very low	236 Å²	236	146.2 Å²	146.2	89%	0.891	77%	0.77	S	S	*	*			trans	-60.2	115.6	170.4	-173.6	179.3	-172.7	-176.9	1.9	106.8	T505	R503-T505 PolarHBondContact O-N 3.48Å; R503-T505 VanDerWaalsContact O-N 3.1Å
504	P	26.2	Very low	25.2	Very low	117 Å²	117	146 Å²	146	76%	0.76	76%	0.759	S	S	*	*			trans	-68.4	113.1	176.1	-11	26.2	0	0	0	107.4	S502 S506	S502-P504 VanDerWaalsContact O-CD 3.27Å; S502-P504 WeakPolarHBondContact O-CD 3.32Å; P504-S506 VanDerWaalsContact C-N 3.31Å; P504-S506 PolarHBondContact O-N 3.3Å
505	T	24.2	Very low	25.1	Very low	141 Å²	141	150.1 Å²	150.1	87%	0.865	77%	0.765	S	S	*	*			trans	-62	96.8	162.1	18.1	0	0	0	0	107.1	R503 L507	R503-T505 PolarHBondContact O-N 3.48Å; R503-T505 VanDerWaalsContact O-N 3.1Å; T505-L507 PolarHBondContact O-N 3.47Å
506	S	26.6	Very low	25.2	Very low	74 Å²	74	149 Å²	149	52%	0.517	76%	0.755	S	S	.	*			trans	-67.5	98.8	169.3	61.5	0	0	0	0	107.8	P504 F508	P504-S506 VanDerWaalsContact C-N 3.31Å; P504-S506 PolarHBondContact O-N 3.3Å; S506-F508 VanDerWaalsContact C-N 3.35Å; S506-F508 WeakPolarHBondContact O-CD2 3.23Å; S506-F508 PolarHBondContact O-N 3.36Å; S506-F508 VanDerWaalsContact O-N 3.11Å; S506-F508 WeakPolarHBondContact OG-CE2 3.41Å; S506-F508 WeakPolarHBondContact OG-CZ 3.19Å
507	L	25.4	Very low	25.2	Very low	160 Å²	160	149.4 Å²	149.4	84%	0.838	75%	0.751	S	S	*	*			trans	-66.9	104.4	157.5	-142.7	86.8	0	0	0	105.2	T505 E509	T505-L507 PolarHBondContact O-N 3.47Å; L507-E509 PolarHBondContact O-N 2.99Å; L507-E509 VanDerWaalsContact O-N 3.08Å
508	F	25.2	Very low	25.2	Very low	181 Å²	181	152.7 Å²	152.7	79%	0.794	75%	0.752	S	S	*	*			trans	-74.6	88.1	179.6	-73.9	-89.7	0	0	0	108.9	S506 K510	S506-F508 VanDerWaalsContact C-N 3.35Å; S506-F508 WeakPolarHBondContact O-CD2 3.23Å; S506-F508 PolarHBondContact O-N 3.36Å; S506-F508 VanDerWaalsContact O-N 3.11Å; S506-F508 WeakPolarHBondContact OG-CE2 3.41Å; S506-F508 WeakPolarHBondContact OG-CZ 3.19Å; F508-K510 VanDerWaalsContact C-N 3.35Å; F508-K510 PolarHBondContact O-N 3.27Å
509	E	23.7	Very low	25.1	Very low	162 Å²	162	153.7 Å²	153.7	76%	0.757	75%	0.746	S	S	*	*			trans	-76.7	98	153.7	-85.9	175.9	170.3	0	0	107	L507 D511	L507-E509 PolarHBondContact O-N 2.99Å; L507-E509 VanDerWaalsContact O-N 3.08Å; E509-D511 PolarHBondContact O-N 3.01Å
510	K	28.1	Very low	25.1	Very low	183 Å²	183	157.8 Å²	157.8	80%	0.796	75%	0.753	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.8	133.3	156.8	-80.5	178.9	171.8	179.4	0	106.5	F508	F508-K510 VanDerWaalsContact C-N 3.35Å; F508-K510 PolarHBondContact O-N 3.27Å
511	D	25.6	Very low	25.1	Very low	166 Å²	166	157 Å²	157	89%	0.888	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	113.5	14.5	165.7	-49.5	-23.6	0	0	0	117.3	E509	E509-D511 PolarHBondContact O-N 3.01Å
512	S	25	Very low	25.4	Very low	90 Å²	90	152.4 Å²	152.4	63%	0.629	74%	0.739	S	S	*	*			trans	-118.8	104.8	159.5	57.2	0	0	0	0	112.2	Y514	S512-Y514 PolarHBondContact O-N 3.13Å
513	D	26.3	Very low	25.6	Very low	144 Å²	144	154.4 Å²	154.4	77%	0.77	74%	0.742	S	S	*	*			trans	-70.2	16.7	-175	-96.5	-24.3	0	0	0	115.3
514	Y	27	Very low	25.8	Very low	150 Å²	150	150.6 Å²	150.6	59%	0.588	73%	0.734	S	S	*	*			trans	-142.4	96.9	-175.2	-61.3	-84	0	0	0	112	S512 Y516	S512-Y514 PolarHBondContact O-N 3.13Å; Y514-Y516 PolarHBondContact O-N 3.23Å; Y514-Y516 VanDerWaalsContact O-N 3.09Å
515	Q	21.9	Very low	25.8	Very low	168 Å²	168	155.1 Å²	155.1	79%	0.785	74%	0.742	S	S	*	*			trans	-73.1	94.8	165.5	-76	-180	-14.6	0	0	109.8
516	Y	24.4	Very low	25.8	Very low	131 Å²	131	156.8 Å²	156.8	51%	0.514	73%	0.733	S	S	.	*			trans	-80.7	113.1	164	-75.4	-82.9	0	0	0	109.2	Y514 Y518 E569	Y514-Y516 PolarHBondContact O-N 3.23Å; Y514-Y516 VanDerWaalsContact O-N 3.09Å; Y516-Y518 VanDerWaalsContact CB-CE2 3.49Å; Y516-Y518 HydrophobicContact CG-CE2 4.23Å; Y516-Y518 PolarHBondContact O-N 3.49Å; Y516-E569 PolarHBondContact OH-OE1 3.17Å
517	Y	23.6	Very low	25.7	Very low	176 Å²	176	160.9 Å²	160.9	69%	0.69	74%	0.744	S	S	*	*			trans	-76.3	85.2	171.9	-78.5	-87.9	0	0	0	109.8	Y519	Y517-Y519 PolarHBondContact O-N 3.16Å; Y517-Y519 VanDerWaalsContact O-N 3.12Å
518	Y	23.8	Very low	25.6	Very low	182 Å²	182	162.8 Å²	162.8	71%	0.714	75%	0.746	S	S	*	*			trans	-75.7	94.9	165.8	-69.6	-79.2	0	0	0	108.9	Y516 Y520	Y516-Y518 VanDerWaalsContact CB-CE2 3.49Å; Y516-Y518 HydrophobicContact CG-CE2 4.23Å; Y516-Y518 PolarHBondContact O-N 3.49Å; Y518-Y520 PolarHBondContact O-N 3.01Å
519	Y	24.4	Very low	25.4	Very low	186 Å²	186	162.6 Å²	162.6	73%	0.729	75%	0.745	S	S	*	*			trans	-68.6	102.9	168.6	-104	-88.6	0	0	0	109.2	Y517 N521	Y517-Y519 PolarHBondContact O-N 3.16Å; Y517-Y519 VanDerWaalsContact O-N 3.12Å; Y519-N521 PolarHBondContact O-N 3.27Å
520	Y	22.8	Very low	25.5	Very low	214 Å²	214	159.7 Å²	159.7	84%	0.839	74%	0.74	S	S	*	*			trans	-64.1	92.9	168.9	-86.3	-94	0	0	0	109.8	Y518	Y518-Y520 PolarHBondContact O-N 3.01Å
521	N	26.8	Very low	25.3	Very low	129 Å²	129	156.5 Å²	156.5	69%	0.69	73%	0.732	S	S	*	*			trans	-115.2	114.7	153.2	-85.3	-23.8	0	0	0	107.1	Y519 D523	Y519-N521 PolarHBondContact O-N 3.27Å; N521-D523 VanDerWaalsContact C-N 3.34Å; N521-D523 PolarHBondContact O-N 2.88Å; N521-D523 VanDerWaalsContact O-N 3.13Å
522	S	32.2	Very low	25.2	Very low	106 Å²	106	150.3 Å²	150.3	74%	0.741	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.1	-2.4	-152.1	42.5	0	0	0	0	117.6
523	D	30.3	Very low	25.2	Very low	146 Å²	146	146.2 Å²	146.2	78%	0.781	67%	0.673	S	S	*	*	T	Hydrogen-bonded Turn	trans	-136.2	15.5	-164	-64.7	-63.3	0	0	0	116.9	N521	N521-D523 VanDerWaalsContact C-N 3.34Å; N521-D523 PolarHBondContact O-N 2.88Å; N521-D523 VanDerWaalsContact O-N 3.13Å
524	Q	28.7	Very low	25.2	Very low	157 Å²	157	140 Å²	140	73%	0.734	64%	0.64	S	S	*	*			trans	-113	110.8	171.8	-71.2	-172.1	-2.1	0	0	111.7	Y526	Q524-Y526 VanDerWaalsContact O-CD2 3.23Å; Q524-Y526 WeakPolarHBondContact O-CD2 3.33Å; Q524-Y526 WeakPolarHBondContact O-CE2 2.98Å; Q524-Y526 PolarHBondContact O-N 3.48Å
525	K	25.7	Very low	25.2	Very low	212 Å²	212	133.9 Å²	133.9	92%	0.922	62%	0.618	S	S	*	*			trans	-57.9	104.6	165.8	-83.4	-179.5	174.3	177.7	0	108.4	E527	K525-E527 PolarHBondContact O-N 3.49Å
526	Y	25.2	Very low	25.4	Very low	175 Å²	175	129.8 Å²	129.8	69%	0.686	60%	0.601	S	S	*	*			trans	-66.3	112.7	177.3	-68.6	-84.5	0	0	0	110.6	Q524 K528	Q524-Y526 VanDerWaalsContact O-CD2 3.23Å; Q524-Y526 WeakPolarHBondContact O-CD2 3.33Å; Q524-Y526 WeakPolarHBondContact O-CE2 2.98Å; Q524-Y526 PolarHBondContact O-N 3.48Å; Y526-K528 PolarHBondContact O-N 3.21Å
527	E	23	Very low	25.5	Very low	160 Å²	160	126.9 Å²	126.9	75%	0.748	59%	0.594	S	S	*	*			trans	-76.8	110.7	167.1	-151.3	170	-158.2	0	0	107.6	K525 F529	K525-E527 PolarHBondContact O-N 3.49Å; E527-F529 VanDerWaalsContact O-CD2 3.31Å; E527-F529 WeakPolarHBondContact O-CD2 3.21Å; E527-F529 PolarHBondContact O-N 3.08Å
528	K	23.4	Very low	25.7	Very low	201 Å²	201	121.4 Å²	121.4	87%	0.874	59%	0.586	S	S	*	*			trans	-61.9	105.1	177.1	-87.5	-179.3	174.4	176.1	0	109	Y526 P530	Y526-K528 PolarHBondContact O-N 3.21Å; K528-P530 VanDerWaalsContact O-CD 3.28Å; K528-P530 WeakPolarHBondContact O-CD 3.19Å
529	F	22.5	Very low	25.7	Very low	176 Å²	176	117 Å²	117	77%	0.772	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-78.2	116.7	168.6	-69.9	-80.5	0	0	0	109.8	E527 L531	E527-F529 VanDerWaalsContact O-CD2 3.31Å; E527-F529 WeakPolarHBondContact O-CD2 3.21Å; E527-F529 PolarHBondContact O-N 3.08Å; F529-L531 PolarHBondContact O-N 3.04Å
530	P	23.9	Very low	25.8	Very low	101 Å²	101	112.5 Å²	112.5	66%	0.656	57%	0.567	S	S	*	*	P	Polyproline II helix	trans	-71.6	118.6	174.3	27.3	-30.9	0	0	0	110.1	K528 S532	K528-P530 VanDerWaalsContact O-CD 3.28Å; K528-P530 WeakPolarHBondContact O-CD 3.19Å; P530-S532 PolarHBondContact O-N 3.33Å
531	L	24.6	Very low	25.9	Very low	117 Å²	117	111 Å²	111	61%	0.613	57%	0.568	S	S	*	*	P	Polyproline II helix	trans	-65	126.8	171.5	-73.3	159.5	0	0	0	110	F529 T556 V557	F529-L531 PolarHBondContact O-N 3.04Å; L531-T556 VanDerWaalsContact O-CA 3.25Å; L531-T556 WeakPolarHBondContact O-CA 3.12Å; L531-T556 WeakPolarHBondContact O-CB 3.41Å; L531-V557 HydrophobicContact CB-CG2 3.73Å; L531-V557 HydrophobicContact CD1-CG2 4.3Å; L531-V557 PolarHBondContact O-N 2.93Å; L531-V557 VanDerWaalsContact O-N 3.1Å
532	S	23.8	Very low	25.8	Very low	36 Å²	36	107.8 Å²	107.8	25%	0.252	57%	0.565	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-101.2	119.8	172.9	63	0	0	0	0	110.7	P530	P530-S532 PolarHBondContact O-N 3.33Å
533	A	25.6	Very low	25.4	Very low	4 Å²	4	105.8 Å²	105.8	3%	0.033	56%	0.561	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.9	146.8	168.7	0	0	0	0	0	110.3	V245 C554 I555	V245-A533 HydrophobicContact CB-CB 3.75Å; V245-A533 HydrophobicContact CG2-CB 3.88Å; A533-C554 CarbonylContact O-C 3.6Å; A533-C554 WeakPolarHBondContact O-CA 3.42Å; A533-C554 WeakPolarHBondContact O-CB 3.49Å; A533-I555 WeakPolarHBondContact CA-O 3.35Å; A533-I555 VanDerWaalsContact CB-O 3.27Å; A533-I555 WeakPolarHBondContact CB-O 3.39Å; A533-I555 PolarHBondContact N-O 3.02Å; A533-I555 PolarHBondContact O-N 3.07Å
534	T	25.8	Very low	25.3	Very low	12 Å²	12	108.1 Å²	108.1	7%	0.074	57%	0.567	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-107.9	115.6	173.7	-66.3	0	0	0	0	108.9	Y244 V245 L536 P552 C554	Y244-T534 WeakPolarHBondContact CD1-OG1 3.17Å; Y244-T534 VanDerWaalsContact CE1-OG1 3.26Å; Y244-T534 WeakPolarHBondContact CE1-OG1 3.28Å; V245-T534 VanDerWaalsContact O-O 3.05Å; T534-L536 HydrophobicContact CG2-CD2 4.26Å; T534-L536 HydrophobicContact CG2-CG 4.37Å; T534-L536 PolarHBondContact O-N 3.24Å; T534-P552 HydrophobicContact CG2-CB 3.56Å; T534-P552 HydrophobicContact CG2-CG 3.72Å; T534-C554 PolarHBondContact OG1-SG 3.31Å; T534-C554 VanDerWaalsContact OG1-SG 3.33Å
535	V	26.5	Very low	25.1	Very low	23 Å²	23	107 Å²	107	14%	0.139	57%	0.566	C	S	.	*			trans	-83.3	105.6	177.8	-174.5	0	0	0	0	108.1	F249 L537 Q553 I555	F249-V535 HydrophobicContact CE2-CG1 3.56Å; F249-V535 HydrophobicContact CZ-CG1 3.97Å; V535-L537 HydrophobicContact CG1-CD1 4.11Å; V535-L537 PolarHBondContact O-N 3.1Å; V535-Q553 PolarHBondContact N-O 3.33Å; V535-I555 HydrophobicContact CG2-CB 4.33Å; V535-I555 HydrophobicContact CG2-CD1 4.08Å
536	L	26.4	Very low	25.1	Very low	81 Å²	81	103.5 Å²	103.5	42%	0.424	56%	0.558	S	S	.	*			trans	-86.3	101.7	174.7	-69.5	171.3	0	0	0	108.9	T534 P552	T534-L536 HydrophobicContact CG2-CD2 4.26Å; T534-L536 HydrophobicContact CG2-CG 4.37Å; T534-L536 PolarHBondContact O-N 3.24Å; L536-P552 HydrophobicContact CD2-CB 4.1Å
537	L	27.2	Very low	25.1	Very low	71 Å²	71	104.3 Å²	104.3	37%	0.372	56%	0.561	S	S	.	*			trans	-88.4	111	-179.1	-118.1	132.2	0	0	0	110	T287 I291 V535 I539	T287-L537 HydrophobicContact CG2-CD2 3.39Å; I291-L537 HydrophobicContact CD1-CD1 3.98Å; I291-L537 HydrophobicContact CD1-CD2 4.05Å; I291-L537 HydrophobicContact CG1-CD1 4.16Å; V535-L537 HydrophobicContact CG1-CD1 4.11Å; V535-L537 PolarHBondContact O-N 3.1Å; L537-I539 HydrophobicContact CD2-CD1 4.26Å; L537-I539 HydrophobicContact CD2-CG1 3.72Å; L537-I539 PolarHBondContact O-N 3.35Å
538	A	27.6	Very low	25.2	Very low	61 Å²	61	104.9 Å²	104.9	50%	0.504	56%	0.557	S	S	.	*			trans	-84.1	94.6	163.6	0	0	0	0	0	108.4	Y33 P540	Y33-A538 WeakPolarHBondContact OH-CB 3.14Å; A538-P540 WeakPolarHBondContact O-CD 3.09Å
539	I	23.5	Very low	25.3	Very low	90 Å²	90	98.8 Å²	98.8	46%	0.462	54%	0.544	S	S	.	.			trans	-82.6	114.5	163.9	-57.2	175.7	0	0	0	105.3	L537 E541	L537-I539 HydrophobicContact CD2-CD1 4.26Å; L537-I539 HydrophobicContact CD2-CG1 3.72Å; L537-I539 PolarHBondContact O-N 3.35Å; I539-E541 PolarHBondContact O-N 3.13Å
540	P	25.9	Very low	25.4	Very low	91 Å²	91	97.7 Å²	97.7	59%	0.591	55%	0.546	S	S	*	.			trans	-59	123.9	170.6	22.5	-28.9	0	0	0	107.7	A538 G542	A538-P540 WeakPolarHBondContact O-CD 3.09Å; P540-G542 PolarHBondContact O-N 3.17Å
541	E	25.1	Very low	25.4	Very low	183 Å²	183	96.9 Å²	96.9	86%	0.855	54%	0.543	S	S	*	.			trans	-60.3	82.8	-177.7	-73.1	-177.7	166.5	0	0	110.8	I539	I539-E541 PolarHBondContact O-N 3.13Å
542	G	24.4	Very low	25.5	Very low	61 Å²	61	94.9 Å²	94.9	63%	0.629	54%	0.537	S	S	*	.			trans	-101.8	98.9	170.4	0	0	0	0	0	109.5	P540	P540-G542 PolarHBondContact O-N 3.17Å
543	G	24.4	Very low	25.7	Very low	64 Å²	64	97.7 Å²	97.7	66%	0.66	55%	0.547	S	S	*	.	S	Bend	trans	82.9	95.1	152.7	0	0	0	0	0	117.4	N545	G543-N545 VanDerWaalsContact C-N 3.32Å; G543-N545 PolarHBondContact O-N 3.43Å
544	E	28.6	Very low	25.9	Very low	195 Å²	195	100.9 Å²	100.9	91%	0.911	57%	0.568	S	S	*	*	S	Bend	trans	50.3	12.3	139.9	-73.5	-171.3	169.5	0	0	121.9
545	N	25	Very low	26.3	Very low	134 Å²	134	100.9 Å²	100.9	72%	0.717	57%	0.567	S	S	*	*			trans	-136.3	107.6	166.8	-71.8	-68.9	0	0	0	112	G543 Y547	G543-N545 VanDerWaalsContact C-N 3.32Å; G543-N545 PolarHBondContact O-N 3.43Å; N545-Y547 WeakPolarHBondContact O-CD2 3.25Å; N545-Y547 PolarHBondContact O-N 3.18Å
546	D	24.2	Very low	26.6	Very low	138 Å²	138	101.2 Å²	101.2	74%	0.738	57%	0.569	S	S	*	*			trans	-32.1	90.7	169.2	-63.2	-41.3	0	0	0	113.8	Y548	D546-Y548 VanDerWaalsContact C-N 3.33Å; D546-Y548 HydrophobicContact CB-CD2 4.05Å
547	Y	26.2	Very low	27	Very low	192 Å²	192	99.3 Å²	99.3	75%	0.753	56%	0.561	S	S	*	*			trans	-101.3	56.1	160.2	-86.2	-83.6	0	0	0	109.2	N545 A549	N545-Y547 WeakPolarHBondContact O-CD2 3.25Å; N545-Y547 PolarHBondContact O-N 3.18Å; Y547-A549 VanDerWaalsContact C-N 3.27Å; Y547-A549 PolarHBondContact O-N 3.17Å
548	Y	25.5	Very low	27.6	Very low	171 Å²	171	102.7 Å²	102.7	67%	0.671	57%	0.572	S	S	*	*			trans	-70.5	87.2	160	-70.3	-80.4	0	0	0	108.1	D546 D550	D546-Y548 VanDerWaalsContact C-N 3.33Å; D546-Y548 HydrophobicContact CB-CD2 4.05Å; Y548-D550 VanDerWaalsContact C-N 3.31Å; Y548-D550 PolarHBondContact O-N 3.07Å
549	A	24.9	Very low	28.2	Very low	73 Å²	73	102.6 Å²	102.6	60%	0.603	56%	0.562	S	S	*	*			trans	-74.7	96.7	154.8	0	0	0	0	0	106	Y547 S551	Y547-A549 VanDerWaalsContact C-N 3.27Å; Y547-A549 PolarHBondContact O-N 3.17Å; A549-S551 PolarHBondContact O-N 3.49Å
550	D	25.2	Very low	28.9	Very low	153 Å²	153	100.5 Å²	100.5	82%	0.818	55%	0.551	S	S	*	*	S	Bend	trans	-60.6	17.8	-177	-80.1	-29.2	0	0	0	115.3	Y548	Y548-D550 VanDerWaalsContact C-N 3.31Å; Y548-D550 PolarHBondContact O-N 3.07Å
551	S	24.3	Very low	29.6	Very low	85 Å²	85	100.6 Å²	100.6	59%	0.594	54%	0.542	S	S	*	.	S	Bend	trans	-160	134.6	167.6	39.2	0	0	0	0	110.8	A549 Q553	A549-S551 PolarHBondContact O-N 3.49Å; S551-Q553 PolarHBondContact O-N 3.2Å
552	P	25.8	Very low	30.4	Very low	75 Å²	75	97.4 Å²	97.4	49%	0.487	53%	0.527	S	S	.	.	P	Polyproline II helix	trans	-64.8	126.6	177.2	28.7	-34.5	0	0	0	109.3	T534 L536 C554	T534-P552 HydrophobicContact CG2-CB 3.56Å; T534-P552 HydrophobicContact CG2-CG 3.72Å; L536-P552 HydrophobicContact CD2-CB 4.1Å; P552-C554 PolarHBondContact O-N 3.39Å
553	Q	28.4	Very low	31.2	Very low	95 Å²	95	97.9 Å²	97.9	44%	0.444	52%	0.515	S	S	.	.	P	Polyproline II helix	trans	-68.5	117.9	-176.5	-68.4	-177	-5.1	0	0	109.5	V535 S551	V535-Q553 PolarHBondContact N-O 3.33Å; S551-Q553 PolarHBondContact O-N 3.2Å
554	C	28.5	Very low	31.9	Very low	71 Å²	71	97.9 Å²	97.9	48%	0.48	52%	0.515	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	131.4	174.3	-59.9	0	0	0	0	109.8	A533 T534 P552	A533-C554 CarbonylContact O-C 3.6Å; A533-C554 WeakPolarHBondContact O-CA 3.42Å; A533-C554 WeakPolarHBondContact O-CB 3.49Å; T534-C554 PolarHBondContact OG1-SG 3.31Å; T534-C554 VanDerWaalsContact OG1-SG 3.33Å; P552-C554 PolarHBondContact O-N 3.39Å
555	I	34.2	Very low	32.3	Very low	12 Å²	12	94 Å²	94	6%	0.062	50%	0.5	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	135.5	173.5	-81.8	171.5	0	0	0	109.2	L294 A533 V535 E559 L560	L294-I555 HydrophobicContact CD1-CD1 3.73Å; L294-I555 HydrophobicContact CD2-CD1 3.47Å; L294-I555 VanDerWaalsContact CD2-CD1 3.47Å; L294-I555 HydrophobicContact CG-CD1 4.09Å; A533-I555 WeakPolarHBondContact CA-O 3.35Å; A533-I555 VanDerWaalsContact CB-O 3.27Å; A533-I555 WeakPolarHBondContact CB-O 3.39Å; A533-I555 PolarHBondContact N-O 3.02Å; A533-I555 PolarHBondContact O-N 3.07Å; V535-I555 HydrophobicContact CG2-CB 4.33Å; V535-I555 HydrophobicContact CG2-CD1 4.08Å; I555-E559 WeakPolarHBondContact CA-OE2 3.45Å; I555-E559 HydrophobicContact CG2-CB 3.94Å; I555-L560 HydrophobicContact CG2-CD2 4.06Å; I555-L560 HydrophobicContact CG2-CG 3.97Å
556	T	33.7	Very low	32.5	Very low	29 Å²	29	92.5 Å²	92.5	18%	0.178	49%	0.485	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	158.4	-179.8	65.6	0	0	0	0	112.8	L531 K558 E559 L560	L531-T556 VanDerWaalsContact O-CA 3.25Å; L531-T556 WeakPolarHBondContact O-CA 3.12Å; L531-T556 WeakPolarHBondContact O-CB 3.41Å; T556-K558 PolarHBondContact O-N 2.68Å; T556-E559 PolarHBondContact N-OE2 3.08Å; T556-E559 WeakPolarHBondContact O-CB 3.48Å; T556-E559 PolarHBondContact O-N 3.45Å; T556-E559 WeakPolarHBondContact OG1-CG 3.48Å; T556-E559 PolarHBondContact OG1-N 3.16Å; T556-E559 PolarHBondContact OG1-OE1 3.41Å; T556-L560 PolarHBondContact O-N 3.41Å
557	V	35.6	Very low	33.1	Very low	41 Å²	41	90 Å²	90	25%	0.248	48%	0.484	C	S	.	.	H	α-helix	trans	-60.6	-31.5	176.1	175	0	0	0	0	112.1	L531 E559 L560 K561	L531-V557 HydrophobicContact CB-CG2 3.73Å; L531-V557 HydrophobicContact CD1-CG2 4.3Å; L531-V557 PolarHBondContact O-N 2.93Å; L531-V557 VanDerWaalsContact O-N 3.1Å; V557-E559 VanDerWaalsContact C-N 3.33Å; V557-L560 PolarHBondContact O-N 3.12Å; V557-K561 PolarHBondContact O-N 3.44Å
558	K	38.8	Very low	33.6	Very low	142 Å²	142	85.2 Å²	85.2	62%	0.617	48%	0.478	S	S	*	.	H	α-helix	trans	-60.9	-44.5	172.9	-177.8	178.4	172	-178.3	0	111	T556 L560 K561 E562	T556-K558 PolarHBondContact O-N 2.68Å; K558-L560 VanDerWaalsContact C-N 3.33Å; K558-L560 PolarHBondContact O-N 3.14Å; K558-K561 PolarHBondContact O-N 3.46Å; K558-E562 WeakPolarHBondContact CE-OE1 2.96Å; K558-E562 IonicContact NZ-OE1 3.91Å; K558-E562 WeakPolarHBondContact O-CG 3.46Å; K558-E562 PolarHBondContact O-N 2.75Å
559	E	39.5	Very low	34.2	Very low	60 Å²	60	82.5 Å²	82.5	28%	0.28	47%	0.472	S	S	.	.	H	α-helix	trans	-63.8	-38.1	175.5	-68.8	152.1	-147.2	0	0	111.3	I555 T556 V557 K561 E562 L563	I555-E559 WeakPolarHBondContact CA-OE2 3.45Å; I555-E559 HydrophobicContact CG2-CB 3.94Å; T556-E559 PolarHBondContact N-OE2 3.08Å; T556-E559 WeakPolarHBondContact O-CB 3.48Å; T556-E559 PolarHBondContact O-N 3.45Å; T556-E559 WeakPolarHBondContact OG1-CG 3.48Å; T556-E559 PolarHBondContact OG1-N 3.16Å; T556-E559 PolarHBondContact OG1-OE1 3.41Å; V557-E559 VanDerWaalsContact C-N 3.33Å; E559-K561 PolarHBondContact O-N 3.36Å; E559-E562 PolarHBondContact O-N 3.22Å; E559-L563 WeakPolarHBondContact O-CB 3.41Å; E559-L563 WeakPolarHBondContact O-CD1 3.17Å; E559-L563 WeakPolarHBondContact O-CG 3.4Å; E559-L563 PolarHBondContact O-N 2.89Å
560	L	39.5	Very low	34.6	Very low	45 Å²	45	87.4 Å²	87.4	24%	0.236	48%	0.482	C	S	.	.	H	α-helix	trans	-63.8	-37.7	174.6	-69.2	172.8	0	0	0	113.5	I555 T556 V557 K558 L563 G564 L565 Y566	I555-L560 HydrophobicContact CG2-CD2 4.06Å; I555-L560 HydrophobicContact CG2-CG 3.97Å; T556-L560 PolarHBondContact O-N 3.41Å; V557-L560 PolarHBondContact O-N 3.12Å; K558-L560 VanDerWaalsContact C-N 3.33Å; K558-L560 PolarHBondContact O-N 3.14Å; L560-L563 PolarHBondContact O-N 3.02Å; L560-G564 PolarHBondContact O-N 3.17Å; L560-L565 HydrophobicContact CD2-CD1 4.33Å; L560-L565 PolarHBondContact O-N 3.41Å; L560-Y566 PolarHBondContact O-N 3.45Å
561	K	39.9	Very low	35.1	Very low	94 Å²	94	87.4 Å²	87.4	41%	0.409	48%	0.482	S	S	.	.	H	α-helix	trans	-66	-45.8	173.7	-76.1	-171.9	174.2	-161.6	0	111.4	V557 K558 E559 L563 G564 Y566	V557-K561 PolarHBondContact O-N 3.44Å; K558-K561 PolarHBondContact O-N 3.46Å; E559-K561 PolarHBondContact O-N 3.36Å; K561-L563 PolarHBondContact O-N 2.87Å; K561-G564 PolarHBondContact O-N 3.25Å; K561-Y566 HydrophobicContact CD-CD1 4.35Å; K561-Y566 HydrophobicContact CG-CD1 3.76Å; K561-Y566 HydrophobicContact CG-CG 4.15Å
562	E	41.5	Very low	35.8	Very low	116 Å²	116	90.8 Å²	90.8	54%	0.542	49%	0.494	S	S	.	.	H	α-helix	trans	-65.8	-24.9	177.8	-71.8	175.9	-171.9	0	0	112.8	K558 E559 G564	K558-E562 WeakPolarHBondContact CE-OE1 2.96Å; K558-E562 IonicContact NZ-OE1 3.91Å; K558-E562 WeakPolarHBondContact O-CG 3.46Å; K558-E562 PolarHBondContact O-N 2.75Å; E559-E562 PolarHBondContact O-N 3.22Å; E562-G564 VanDerWaalsContact C-N 3.3Å
563	L	41.8	Very low	36.4	Very low	70 Å²	70	94.1 Å²	94.1	37%	0.366	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.3	-5.9	172.5	-70	166.5	0	0	0	113.9	L294 E559 L560 K561 L565	L294-L563 HydrophobicContact CD2-CD1 3.65Å; L294-L563 HydrophobicContact CD2-CD2 4.28Å; E559-L563 WeakPolarHBondContact O-CB 3.41Å; E559-L563 WeakPolarHBondContact O-CD1 3.17Å; E559-L563 WeakPolarHBondContact O-CG 3.4Å; E559-L563 PolarHBondContact O-N 2.89Å; L560-L563 PolarHBondContact O-N 3.02Å; K561-L563 PolarHBondContact O-N 2.87Å; L563-L565 HydrophobicContact CB-CD1 4.12Å; L563-L565 HydrophobicContact CB-CG 4.1Å; L563-L565 HydrophobicContact CD1-CD1 4.27Å; L563-L565 PolarHBondContact O-N 3.11Å
564	G	37.9	Very low	37	Very low	64 Å²	64	96.8 Å²	96.8	66%	0.66	53%	0.525	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.1	9.8	-174.1	0	0	0	0	0	114.4	L560 K561 E562 Y566	L560-G564 PolarHBondContact O-N 3.17Å; K561-G564 PolarHBondContact O-N 3.25Å; E562-G564 VanDerWaalsContact C-N 3.3Å; G564-Y566 VanDerWaalsContact C-N 3.3Å
565	L	37.3	Very low	37.3	Very low	115 Å²	115	102.1 Å²	102.1	60%	0.602	54%	0.542	S	S	*	.	S	Bend	trans	-83.8	-11.4	176.4	-65.5	173.9	0	0	0	112.3	L560 L563	L560-L565 HydrophobicContact CD2-CD1 4.33Å; L560-L565 PolarHBondContact O-N 3.41Å; L563-L565 HydrophobicContact CB-CD1 4.12Å; L563-L565 HydrophobicContact CB-CG 4.1Å; L563-L565 HydrophobicContact CD1-CD1 4.27Å; L563-L565 PolarHBondContact O-N 3.11Å
566	Y	30.9	Very low	37.5	Very low	101 Å²	101	108.9 Å²	108.9	40%	0.396	58%	0.579	S	S	.	*	S	Bend	trans	-125.6	120.9	174.6	-156.6	-85.6	0	0	0	107.3	L560 K561 G564 S568	L560-Y566 PolarHBondContact O-N 3.45Å; K561-Y566 HydrophobicContact CD-CD1 4.35Å; K561-Y566 HydrophobicContact CG-CD1 3.76Å; K561-Y566 HydrophobicContact CG-CG 4.15Å; G564-Y566 VanDerWaalsContact C-N 3.3Å; Y566-S568 PolarHBondContact O-N 3.17Å; Y566-S568 VanDerWaalsContact O-N 3.16Å
567	A	35.5	Very low	37.6	Very low	86 Å²	86	115.7 Å²	115.7	71%	0.711	61%	0.609	S	S	*	*			trans	-53	122	-176	0	0	0	0	0	110.4	E569	A567-E569 PolarHBondContact O-N 3.04Å
568	S	37.6	Very low	37.7	Very low	92 Å²	92	120.3 Å²	120.3	64%	0.643	63%	0.632	S	S	*	*			trans	-74.6	114.6	164.1	44.7	0	0	0	0	107.1	Y566	Y566-S568 PolarHBondContact O-N 3.17Å; Y566-S568 VanDerWaalsContact O-N 3.16Å
569	E	38.2	Very low	37.7	Very low	114 Å²	114	120 Å²	120	53%	0.533	64%	0.637	S	S	.	*	S	Bend	trans	-57.9	141	155.1	-63.7	165.5	173	0	0	106.3	Y516 A567	Y516-E569 PolarHBondContact OH-OE1 3.17Å; A567-E569 PolarHBondContact O-N 3.04Å
570	E	32	Very low	37.7	Very low	175 Å²	175	124.8 Å²	124.8	82%	0.818	66%	0.659	S	S	*	*			trans	102.7	86.4	-177.1	-56.2	172.7	-151.3	0	0	114.3
571	D	37.3	Very low	37.3	Very low	154 Å²	154	126.2 Å²	126.2	82%	0.824	69%	0.685	S	S	*	*			trans	-168.1	56.5	139.1	-87.2	-20	0	0	0	107.2
572	D	38.6	Very low	37	Very low	155 Å²	155	129.7 Å²	129.7	83%	0.829	70%	0.703	S	S	*	*			trans	-111.6	56.2	167.6	-70.2	-34.5	0	0	0	107.9	D574	D572-D574 VanDerWaalsContact C-N 3.27Å; D572-D574 PolarHBondContact O-N 3.38Å
573	D	37.5	Very low	36.6	Very low	146 Å²	146	129.5 Å²	129.5	78%	0.781	71%	0.714	S	S	*	*			trans	-93.8	56.2	167.3	-73.6	-18.6	0	0	0	108.8	E575	D573-E575 VanDerWaalsContact C-N 3.29Å; D573-E575 PolarHBondContact O-N 3.13Å
574	D	40.6	Very low	36.1	Very low	150 Å²	150	132.9 Å²	132.9	80%	0.802	73%	0.732	S	S	*	*			trans	-93	70.5	165	-73.9	-20.9	0	0	0	107.9	D572 D576	D572-D574 VanDerWaalsContact C-N 3.27Å; D572-D574 PolarHBondContact O-N 3.38Å; D574-D576 VanDerWaalsContact C-N 3.28Å; D574-D576 PolarHBondContact O-N 3.08Å; D574-D576 VanDerWaalsContact O-N 3.13Å
575	E	35.1	Very low	35.8	Very low	183 Å²	183	138.7 Å²	138.7	86%	0.855	75%	0.745	S	S	*	*			trans	-71.1	85.6	157.8	-74.9	-169.3	175.3	0	0	108.4	D573	D573-E575 VanDerWaalsContact C-N 3.29Å; D573-E575 PolarHBondContact O-N 3.13Å
576	D	38.3	Very low	35.5	Very low	154 Å²	154	139.6 Å²	139.6	82%	0.824	75%	0.75	S	S	*	*			trans	-108.6	82	159.1	-78.7	-29.2	0	0	0	108	D574	D574-D576 VanDerWaalsContact C-N 3.28Å; D574-D576 PolarHBondContact O-N 3.08Å; D574-D576 VanDerWaalsContact O-N 3.13Å
577	E	35.5	Very low	35.4	Very low	172 Å²	172	142 Å²	142	80%	0.804	77%	0.765	S	S	*	*			trans	-59.9	134.7	147.6	-64.4	-161.2	162.8	0	0	108.1
578	D	38.9	Very low	35.3	Very low	138 Å²	138	141.9 Å²	141.9	74%	0.738	77%	0.772	S	S	*	*			trans	176.4	110.5	130.1	-83.6	-16.2	0	0	0	111.1
579	D	38.1	Very low	34.8	Very low	137 Å²	137	147.5 Å²	147.5	73%	0.733	78%	0.779	S	S	*	*				76.9	99.6	128.3	-64.3	-14.8	0	0	0	122.2
580	E	38.9	Very low	34.5	Very low	159 Å²	159	149.2 Å²	149.2	74%	0.743	79%	0.792	S	S	*	*				53	83.2	110.7	-64.2	-76.6	174.3	0	0	116.6
581	G	31.9	Very low	34.4	Very low	75 Å²	75	149.4 Å²	149.4	77%	0.773	79%	0.793	S	S	*	*			trans	-118.8	67.3	163.6	0	0	0	0	0	111.4	S583	G581-S583 PolarHBondContact O-N 3.25Å; G581-S583 VanDerWaalsContact O-N 3.08Å
582	E	32.9	Very low	34.2	Very low	168 Å²	168	149.3 Å²	149.3	79%	0.785	79%	0.792	S	S	*	*			trans	-51.6	110.6	167.4	-69.4	-172.8	150.5	0	0	110.9
583	S	34.5	Very low	33.8	Very low	111 Å²	111	148.4 Å²	148.4	78%	0.776	79%	0.788	S	S	*	*			trans	-131.7	86.6	154.3	74.1	0	0	0	0	109.6	G581 M585	G581-S583 PolarHBondContact O-N 3.25Å; G581-S583 VanDerWaalsContact O-N 3.08Å; S583-M585 PolarHBondContact O-N 2.79Å
584	N	30.3	Very low	33.4	Very low	141 Å²	141	147.7 Å²	147.7	75%	0.754	79%	0.788	S	S	*	*			trans	-50.4	114.8	160.1	-85.6	-38.4	0	0	0	110.5
585	M	32	Very low	32.7	Very low	186 Å²	186	144 Å²	144	92%	0.916	79%	0.787	S	S	*	*			trans	-125.7	108.9	151.2	-91.6	-74.8	-178.4	0	0	107.8	S583	S583-M585 PolarHBondContact O-N 2.79Å
586	N	30.5	Very low	32.3	Very low	134 Å²	134	147 Å²	147	72%	0.717	79%	0.79	S	S	*	*			trans	-55.9	140.7	-175.3	-81	-28	0	0	0	114.7
587	E	29.8	Very low	31.9	Very low	152 Å²	152	145.9 Å²	145.9	71%	0.71	78%	0.784	S	S	*	*			trans	36.8	104.4	132	-60.7	-169	140.2	0	0	119.1
588	G	32	Very low	31.5	Very low	83 Å²	83	143.9 Å²	143.9	86%	0.856	78%	0.783	S	S	*	*			trans	-121	85.2	147.5	0	0	0	0	0	109.6
589	R	27.5	Very low	31.1	Very low	211 Å²	211	146.8 Å²	146.8	80%	0.796	79%	0.785	S	S	*	*			trans	-62.3	132.1	166.1	-74.9	178.1	178.3	176.1	-0.3	109.8
590	N	32	Very low	30.6	Very low	149 Å²	149	148.7 Å²	148.7	80%	0.797	79%	0.79	S	S	*	*				-167	109.6	123.6	-112.5	-6.9	0	0	0	110.8
591	E	30.5	Very low	30.3	Very low	180 Å²	180	148.1 Å²	148.1	84%	0.841	79%	0.791	S	S	*	*			trans	-60.3	130	153.8	-66.7	168.8	151	0	0	108.5
592	N	33.4	Very low	30.2	Very low	151 Å²	151	151.4 Å²	151.4	81%	0.807	79%	0.791	S	S	*	*			trans	-162.8	79.8	150.8	-90.3	-24.1	0	0	0	108.3
593	D	29.3	Very low	30	Very low	137 Å²	137	150.1 Å²	150.1	73%	0.733	79%	0.789	S	S	*	*				54	126.3	113.2	-132.4	6.6	0	0	0	120.5
594	T	29	Very low	29.8	Very low	130 Å²	130	150.4 Å²	150.4	80%	0.798	79%	0.786	S	S	*	*			trans	63.3	119.9	149.5	46.7	0	0	0	0	120.8
595	G	26.9	Very low	29.6	Very low	74 Å²	74	151.4 Å²	151.4	76%	0.763	79%	0.791	S	S	*	*			trans	142.6	64.9	141.1	0	0	0	0	0	115.7
596	R	26.7	Very low	29.5	Very low	246 Å²	246	148.1 Å²	148.1	93%	0.928	78%	0.783	S	S	*	*			trans	-137.8	93	153.3	-150.6	168.3	-178.2	169.2	-0.3	111.1	V598	R596-V598 PolarHBondContact O-N 2.73Å
597	N	29.3	Very low	29.4	Very low	130 Å²	130	149.2 Å²	149.2	70%	0.695	79%	0.789	S	S	*	*			trans	-41.1	117.7	175.6	-68.1	-21.5	0	0	0	112	Y599	N597-Y599 PolarHBondContact O-N 3.13Å; N597-Y599 VanDerWaalsContact O-N 3.15Å
598	V	28.2	Very low	29.5	Very low	130 Å²	130	149.6 Å²	149.6	79%	0.788	80%	0.796	S	S	*	*			trans	-64	104.3	157.7	177.6	0	0	0	0	105.9	R596 E600	R596-V598 PolarHBondContact O-N 2.73Å; V598-E600 VanDerWaalsContact C-N 3.33Å; V598-E600 PolarHBondContact O-N 3.27Å
599	Y	28.7	Very low	29.2	Very low	199 Å²	199	147.8 Å²	147.8	78%	0.78	78%	0.778	S	S	*	*			trans	-70.9	96.1	165.2	-82.6	-91.4	0	0	0	106.9	N597 L601	N597-Y599 PolarHBondContact O-N 3.13Å; N597-Y599 VanDerWaalsContact O-N 3.15Å; Y599-L601 PolarHBondContact O-N 2.78Å
600	E	29.5	Very low	29.3	Very low	177 Å²	177	143.8 Å²	143.8	83%	0.827	78%	0.777	S	S	*	*			trans	-59.2	103.6	157.1	-82.8	-179.8	148.1	0	0	107.1	V598 D602	V598-E600 VanDerWaalsContact C-N 3.33Å; V598-E600 PolarHBondContact O-N 3.27Å; E600-D602 VanDerWaalsContact C-N 3.33Å; E600-D602 PolarHBondContact O-N 2.86Å
601	L	31	Very low	29	Very low	146 Å²	146	143.2 Å²	143.2	76%	0.764	77%	0.774	S	S	*	*			trans	-70.7	94.4	169	-95.2	135.3	0	0	0	107.5	Y599 N603	Y599-L601 PolarHBondContact O-N 2.78Å; L601-N603 PolarHBondContact O-N 2.72Å
602	D	29.9	Very low	28.8	Very low	144 Å²	144	139.7 Å²	139.7	77%	0.77	77%	0.769	S	S	*	*			trans	-56.7	101.3	163.8	-113.6	-22.3	0	0	0	108.6	E600 T604	E600-D602 VanDerWaalsContact C-N 3.33Å; E600-D602 PolarHBondContact O-N 2.86Å; D602-T604 PolarHBondContact O-N 2.76Å
603	N	29.4	Very low	28.6	Very low	142 Å²	142	137.8 Å²	137.8	76%	0.759	77%	0.767	S	S	*	*			trans	-80.4	65.1	172.5	-72.7	-38	0	0	0	109.5	L601 L605	L601-N603 PolarHBondContact O-N 2.72Å; N603-L605 PolarHBondContact O-N 2.9Å
604	T	29.2	Very low	28.6	Very low	116 Å²	116	136.1 Å²	136.1	71%	0.712	77%	0.767	S	S	*	*			trans	-89.9	89.1	162.5	8.3	0	0	0	0	107.9	D602 P606	D602-T604 PolarHBondContact O-N 2.76Å; T604-P606 VanDerWaalsContact O-CD 3.28Å; T604-P606 WeakPolarHBondContact O-CD 3.47Å
605	L	27.4	Very low	28.5	Very low	162 Å²	162	140.2 Å²	140.2	85%	0.848	77%	0.774	S	S	*	*			trans	-53.2	118.3	163.5	-90.3	129.8	0	0	0	109.2	N603 D607	N603-L605 PolarHBondContact O-N 2.9Å; L605-D607 PolarHBondContact O-N 3.12Å
606	P	28.8	Very low	28.6	Very low	117 Å²	117	143.2 Å²	143.2	76%	0.76	77%	0.771	S	S	*	*			trans	-81.7	108.9	164.7	28.1	-19.8	0	0	0	107.9	T604 D608	T604-P606 VanDerWaalsContact O-CD 3.28Å; T604-P606 WeakPolarHBondContact O-CD 3.47Å; P606-D608 PolarHBondContact O-N 2.79Å
607	D	28.6	Very low	28.5	Very low	158 Å²	158	137 Å²	137	85%	0.845	77%	0.765	S	S	*	*			trans	-71.7	102.7	166.5	-169.7	14.1	0	0	0	108	L605	L605-D607 PolarHBondContact O-N 3.12Å
608	D	32.8	Very low	28.4	Very low	160 Å²	160	139 Å²	139	86%	0.856	77%	0.771	S	S	*	*			trans	-133.4	78.9	171.2	-128.6	-2.1	0	0	0	109.3	P606	P606-D608 PolarHBondContact O-N 2.79Å
609	G	26	Very low	28.2	Very low	45 Å²	45	139.3 Å²	139.3	46%	0.464	77%	0.773	S	S	.	*				42.6	103.7	112.9	0	0	0	0	0	117.6
610	T	27.9	Very low	28.1	Very low	127 Å²	127	135.4 Å²	135.4	78%	0.779	77%	0.769	S	S	*	*				77.4	128.4	128.8	55.9	0	0	0	0	120.8
611	N	26.7	Very low	28	Very low	136 Å²	136	132.6 Å²	132.6	73%	0.727	77%	0.766	S	S	*	*			trans	95.1	96.6	139.2	-61.9	-16.2	0	0	0	119.9
612	S	25.6	Very low	27.8	Very low	106 Å²	106	132.8 Å²	132.8	74%	0.741	77%	0.768	S	S	*	*				90	135.6	109.9	70.6	0	0	0	0	121.2
613	S	29	Very low	27.8	Very low	111 Å²	111	135.1 Å²	135.1	78%	0.776	77%	0.772	S	S	*	*			trans	78.1	111	153.1	81.4	0	0	0	0	118.7
614	S	29.2	Very low	27.6	Very low	103 Å²	103	134.6 Å²	134.6	72%	0.72	77%	0.774	S	S	*	*				-177	106.7	111.6	36	0	0	0	0	109	I616	S614-I616 PolarHBondContact O-N 3.37Å; S614-I616 VanDerWaalsContact O-N 3.14Å
615	F	27.1	Very low	27.3	Very low	216 Å²	216	137.1 Å²	137.1	95%	0.947	78%	0.777	S	S	*	*			trans	-64.7	104.4	163.9	-94.2	-100.8	0	0	0	107.5
616	I	28.7	Very low	27.1	Very low	136 Å²	136	136.7 Å²	136.7	70%	0.697	77%	0.774	S	S	*	*			trans	-92	99.3	163.5	-59.4	176.5	0	0	0	106	S614 E618	S614-I616 PolarHBondContact O-N 3.37Å; S614-I616 VanDerWaalsContact O-N 3.14Å; I616-E618 PolarHBondContact O-N 2.96Å
617	S	25.1	Very low	26.7	Very low	116 Å²	116	138.8 Å²	138.8	81%	0.811	77%	0.774	S	S	*	*			trans	-82.2	100.7	166.8	50.1	0	0	0	0	108
618	E	28.2	Very low	26.6	Very low	173 Å²	173	138 Å²	138	81%	0.808	77%	0.768	S	S	*	*			trans	-110.8	126.5	168.6	-118	176.9	175.8	0	0	108.9	I616	I616-E618 PolarHBondContact O-N 2.96Å
619	T	24.3	Very low	26.2	Very low	136 Å²	136	135 Å²	135	83%	0.834	76%	0.757	S	S	*	*	P	Polyproline II helix	trans	-63.1	129.7	-173.8	35.7	0	0	0	0	112.4
620	V	26	Very low	26.3	Very low	117 Å²	117	140.4 Å²	140.4	71%	0.709	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-58.8	121.7	176.7	-178.2	0	0	0	0	110.4
621	P	26.5	Very low	26.2	Very low	117 Å²	117	141.7 Å²	141.7	76%	0.76	78%	0.778	S	S	*	*	P	Polyproline II helix	trans	-76.5	126.6	167.2	-6	22.8	0	0	0	109.1
622	D	28	Very low	26.1	Very low	151 Å²	151	141.2 Å²	141.2	81%	0.807	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-52.6	136.6	178.6	-75.9	-42.1	0	0	0	112.2	T624	D622-T624 PolarHBondContact O-N 2.96Å; D622-T624 VanDerWaalsContact O-N 3.08Å
623	F	29.2	Very low	26.2	Very low	193 Å²	193	140.7 Å²	140.7	85%	0.846	77%	0.771	S	S	*	*			trans	-50.9	107.2	-178.5	-66.2	-95.2	0	0	0	112.1	E625	F623-E625 PolarHBondContact O-N 3.14Å
624	T	25	Very low	26.2	Very low	130 Å²	130	143.5 Å²	143.5	80%	0.798	78%	0.776	S	S	*	*			trans	-73	104	161.9	29.6	0	0	0	0	109.2	D622 I626	D622-T624 PolarHBondContact O-N 2.96Å; D622-T624 VanDerWaalsContact O-N 3.08Å; T624-I626 PolarHBondContact O-N 2.93Å; T624-I626 VanDerWaalsContact O-N 3.16Å
625	E	23.7	Very low	26.2	Very low	169 Å²	169	143.6 Å²	143.6	79%	0.79	77%	0.772	S	S	*	*			trans	-51.4	114.5	164.3	-87.9	179.7	143.9	0	0	110	F623 H627	F623-E625 PolarHBondContact O-N 3.14Å; E625-H627 PolarHBondContact O-N 2.9Å; E625-H627 VanDerWaalsContact O-N 3.14Å
626	I	22.5	Very low	26.2	Very low	153 Å²	153	141.8 Å²	141.8	79%	0.785	77%	0.766	S	S	*	*			trans	-79.9	94.9	174.7	-59.3	174.6	0	0	0	107.3	T624 I628	T624-I626 PolarHBondContact O-N 2.93Å; T624-I626 VanDerWaalsContact O-N 3.16Å; I626-I628 PolarHBondContact O-N 2.94Å
627	H	21.5	Very low	26.2	Very low	161 Å²	161	144.2 Å²	144.2	75%	0.745	78%	0.775	S	S	*	*			trans	-66.3	112.5	168.9	-93.5	-87.8	0	0	0	110.1	E625 P629	E625-H627 PolarHBondContact O-N 2.9Å; E625-H627 VanDerWaalsContact O-N 3.14Å; H627-P629 WeakPolarHBondContact O-CD 3.21Å
628	I	25.8	Very low	26.2	Very low	141 Å²	141	146.9 Å²	146.9	72%	0.723	77%	0.774	S	S	*	*			trans	-80.5	119.5	172.3	-58.4	173.5	0	0	0	107.9	I626 N630	I626-I628 PolarHBondContact O-N 2.94Å; I628-N630 PolarHBondContact O-N 3.49Å
629	P	24.2	Very low	26.1	Very low	98 Å²	98	147.1 Å²	147.1	64%	0.636	78%	0.775	S	S	*	*			trans	-71.2	128.8	178.5	-14.7	29.1	0	0	0	111.1	H627 N631	H627-P629 WeakPolarHBondContact O-CD 3.21Å; P629-N631 PolarHBondContact O-N 3.46Å
630	N	28.3	Very low	26.1	Very low	159 Å²	159	146.7 Å²	146.7	85%	0.85	77%	0.772	S	S	*	*	S	Bend	trans	-66.7	-3.1	-172.7	-79.3	-11.4	0	0	0	116.4	I628	I628-N630 PolarHBondContact O-N 3.49Å
631	N	24.9	Very low	26	Very low	154 Å²	154	149.4 Å²	149.4	82%	0.824	78%	0.779	S	S	*	*			trans	-127.9	81.3	-174.2	-74.6	-13.3	0	0	0	111.3	P629	P629-N631 PolarHBondContact O-N 3.46Å
632	I	25.9	Very low	26	Very low	125 Å²	125	151.3 Å²	151.3	64%	0.641	78%	0.781	S	S	*	*			trans	-119.6	99.2	160.2	-56.8	178.6	0	0	0	107.8	L634	I632-L634 PolarHBondContact O-N 2.96Å
633	S	26.4	Very low	26.3	Very low	96 Å²	96	152.9 Å²	152.9	67%	0.671	80%	0.804	S	S	*	*			trans	-67.5	106.2	168.1	161.7	0	0	0	0	109.1	T635	S633-T635 VanDerWaalsContact C-N 3.29Å; S633-T635 PolarHBondContact O-N 3.06Å
634	L	29.2	Very low	26.1	Very low	169 Å²	169	150.9 Å²	150.9	89%	0.885	80%	0.802	S	S	*	*			trans	-75.7	78.1	172.3	-78.9	158.2	0	0	0	110	I632	I632-L634 PolarHBondContact O-N 2.96Å
635	T	30.1	Very low	26.2	Very low	106 Å²	106	151.9 Å²	151.9	65%	0.65	80%	0.802	S	S	*	*			trans	-103.9	99.8	163.9	47	0	0	0	0	107.9	S633	S633-T635 VanDerWaalsContact C-N 3.29Å; S633-T635 PolarHBondContact O-N 3.06Å
636	H	26.4	Very low	26.3	Very low	177 Å²	177	151 Å²	151	82%	0.819	80%	0.803	S	S	*	*			trans	-178.8	90.5	147	-100.4	48.7	0	0	0	108.4
637	H	28.9	Very low	26.6	Very low	188 Å²	188	150.9 Å²	150.9	87%	0.87	80%	0.804	S	S	*	*			trans	-90.6	104.9	162.9	-100.7	-64.1	0	0	0	107	E639	H637-E639 PolarHBondContact O-N 3.31Å
638	E	25.6	Very low	26.9	Very low	172 Å²	172	150.3 Å²	150.3	80%	0.804	81%	0.807	S	S	*	*			trans	-81.8	109.7	165.1	-82.9	-176	152.8	0	0	108.6	V640	E638-V640 PolarHBondContact O-N 2.93Å
639	E	26.1	Very low	27	Very low	177 Å²	177	150.9 Å²	150.9	83%	0.827	81%	0.813	S	S	*	*			trans	-72	110.2	168.7	-75.6	-178.6	156.1	0	0	109.4	H637 M641	H637-E639 PolarHBondContact O-N 3.31Å; E639-M641 PolarHBondContact O-N 2.76Å
640	V	24.6	Very low	27.1	Very low	127 Å²	127	154.6 Å²	154.6	77%	0.77	83%	0.826	S	S	*	*			trans	-79.6	99.7	170.5	-179.7	0	0	0	0	108.2	E638 I642	E638-V640 PolarHBondContact O-N 2.93Å; V640-I642 PolarHBondContact O-N 3.1Å
641	M	23.2	Very low	27.1	Very low	175 Å²	175	154.3 Å²	154.3	86%	0.862	82%	0.824	S	S	*	*			trans	-73.1	112.7	168.8	-71.2	-115.5	-76.1	0	0	109.3	E639	E639-M641 PolarHBondContact O-N 2.76Å
642	I	27.2	Very low	27.2	Very low	157 Å²	157	154.3 Å²	154.3	81%	0.805	82%	0.824	S	S	*	*			trans	-84.2	116.2	170.1	-56.6	174.3	0	0	0	106.7	V640	V640-I642 PolarHBondContact O-N 3.1Å
643	S	33.2	Very low	27.4	Very low	183 Å²	183	157 Å²	157	100%	1.28	84%	0.84	S	S	*	*			trans	-69.7	0	175.7	59.4	0	0	0	0	112.9

Retrieved 643 of 643 residues in 544.6 ms (Link to these results)

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