A0A096M343_POEFO Loading...

Periostin

AlphaFold DB , UniProt , Accession A0A096M343, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 838 aa.

						>A0A096M343_POEFO|A0A096M343
MDQLPVVTLVMVALFFLGSVDSSAYDKIVTHSRIRARKEGPNVCALQQVEGTKKKYFSTCRNWYKKSICGKKAEVLYECCPGYMKLDGMKGCPAVAPIENVYDTLGLVKAETTQRYSDMSKLRQEIESTGTFTVFAPSNEAWDELNPTARAALEDNVNIELFNALHYHTVNHRLMTKDMKNGMTVTSMYNDQAIFINHYPNGVVTVNCARIIHGNQIATNGVVHVIDRVIRSVTGTIKDYLESEEELSSFNNAVFIAGVMDKLGQPGQFTLFAPTNEAFDKLTPGFMESIFENEPVIKALVTYHLLNSVQCAEAIMAGSVYETEEGSTIEIGCDGDSLTVNGIKMVLKKDIVASNGVIHLIDQVLIPDSAKEVRELVGKSQSTFGDLVSEMGLMSSLSSDTQYTLLAPLNAVFTDEVMADDEYLRIILQNHMLKLKISLSMLFNGQLLETLSGQLLRVFIYRTAVCIESACMVRGSKEGMNGALHVMTSLIKPADKTAFELLDADGNFKIFLSLMETAGLEDLLKQNGSYTIFAPTDEAFEALGADDLDLLKGDVKALRNILLYHFSEGIIINGGLEAKVTNLLKTLQGKPLQLKSENNSIRVNSVEIPKSDLMAINGVVHVVKNVLYPADLPVGRQDLLLVLQKLIKYIEIKFVSGFTYAEIPLTFIKRIITTTRYIKVPETETVIIEEKQPSIKTVTTVIEGKPSIKQVTRVIKPAGSKVVAEVDQSTKTVTRVIGRQPSMSKVTRIIGGGEDRTSRRRTETSETTITTVNEPQIIAVPDLSKITSFGDNPALLNEESGKITRLIQEGGGFSAAKKPPTGVRRRARLVKRHYKPKE
					

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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	33.6	Very low	36.3	Very low	220 Å²	220	149.4 Å²	149.4	100%	1.084	82%	0.816	S	S	*	*				0	60.7	0	-54.2	-176	85.4	0	0	108.5
2	D	32.5	Very low	36.1	Very low	138 Å²	138	144.4 Å²	144.4	74%	0.738	79%	0.793	S	S	*	*				101.7	83.2	51.1	-60.5	-22.9	0	0	0	108.1
3	Q	33.4	Very low	35.9	Very low	185 Å²	185	139.1 Å²	139.1	86%	0.864	78%	0.78	S	S	*	*				61.8	100	91.6	-71	-159.2	-3.9	0	0	113.8
4	L	37	Very low	35.9	Very low	171 Å²	171	137.4 Å²	137.4	90%	0.895	77%	0.767	S	S	*	*			trans	-73.2	130	157.6	-75	73.4	0	0	0	108.9
5	P	42.9	Very low	35.7	Very low	109 Å²	109	140.1 Å²	140.1	71%	0.708	77%	0.768	S	S	*	*			trans	-94.1	127.1	171.1	35	-31.6	0	0	0	111.7	V7	P5-V7 HydrophobicContact CB-CG2 3.96Å; P5-V7 PolarHBondContact O-N 3.28Å
6	V	39.8	Very low	35.6	Very low	140 Å²	140	142.2 Å²	142.2	85%	0.848	77%	0.768	S	S	*	*			trans	-78.6	97.6	174.7	177.6	0	0	0	0	109.7
7	V	37.2	Very low	35.6	Very low	119 Å²	119	142.2 Å²	142.2	72%	0.721	77%	0.766	S	S	*	*			trans	-137.2	44.8	-176	-156.8	0	0	0	0	113.8	P5	P5-V7 HydrophobicContact CB-CG2 3.96Å; P5-V7 PolarHBondContact O-N 3.28Å
8	T	37.5	Very low	35.6	Very low	135 Å²	135	137.4 Å²	137.4	83%	0.828	76%	0.756	S	S	*	*	S	Bend	trans	-138.6	28.7	173.8	38.9	0	0	0	0	114.5
9	L	35.3	Very low	35.8	Very low	151 Å²	151	136.5 Å²	136.5	79%	0.791	76%	0.761	S	S	*	*	S	Bend	trans	-117.1	-7.1	176.8	-143	79.4	0	0	0	115.8
10	V	37.2	Very low	36.5	Very low	122 Å²	122	136.2 Å²	136.2	74%	0.739	76%	0.762	S	S	*	*	S	Bend	trans	-96	-25.3	-173.2	-177.1	0	0	0	0	113.3
11	M	33	Very low	37.5	Very low	153 Å²	153	136.2 Å²	136.2	75%	0.754	76%	0.76	S	S	*	*	S	Bend	trans	-93.6	15.1	-175.1	-84	-71.3	-74.7	0	0	115.4
12	V	33.7	Very low	39.3	Very low	90 Å²	90	127.9 Å²	127.9	55%	0.545	72%	0.724	S	S	.	*	S	Bend	trans	-111.3	-28.3	172.5	-179.7	0	0	0	0	111.9	L14 F15 F16	V12-L14 PolarHBondContact O-N 3.17Å; V12-L14 VanDerWaalsContact O-N 3.16Å; V12-F15 PolarHBondContact O-N 3.26Å; V12-F16 HydrophobicContact CG1-CD2 4.42Å; V12-F16 HydrophobicContact CG1-CE2 4.21Å
13	A	34.1	Very low	41.8	Very low	75 Å²	75	122 Å²	122	62%	0.62	69%	0.693	S	S	*	*	G	3₁₀ helix	trans	-63.5	-21.5	-179.2	0	0	0	0	0	114.4
14	L	35.6	Very low	44.2	Very low	116 Å²	116	114.6 Å²	114.6	61%	0.607	66%	0.664	S	S	*	*	G	3₁₀ helix	trans	-85.7	-8.5	-178.8	-80.4	165.1	0	0	0	115	V12	V12-L14 PolarHBondContact O-N 3.17Å; V12-L14 VanDerWaalsContact O-N 3.16Å
15	F	33.4	Very low	46.5	Very low	177 Å²	177	107 Å²	107	78%	0.776	62%	0.623	S	S	*	*	G	3₁₀ helix	trans	-101.2	1.9	175.1	-81.6	-79.2	0	0	0	114.1	V12	V12-F15 PolarHBondContact O-N 3.26Å
16	F	32.8	Very low	48.6	Very low	174 Å²	174	103.8 Å²	103.8	76%	0.763	60%	0.6	S	S	*	*			trans	-111.4	20.9	171.2	-71.9	-75.5	0	0	0	113.5	V12 G18	V12-F16 HydrophobicContact CG1-CD2 4.42Å; V12-F16 HydrophobicContact CG1-CE2 4.21Å; F16-G18 PolarHBondContact O-N 3.49Å
17	L	35.7	Very low	50.8	Low	142 Å²	142	102 Å²	102	74%	0.743	58%	0.581	S	S	*	*	S	Bend	trans	-66.3	90.9	150.2	-78.4	172.3	0	0	0	107.3
18	G	35.5	Very low	53.2	Low	56 Å²	56	97.2 Å²	97.2	58%	0.577	55%	0.551	S	S	*	*			trans	-55.2	154.5	-178.5	0	0	0	0	0	111.9	F16 V20	F16-G18 PolarHBondContact O-N 3.49Å; G18-V20 PolarHBondContact O-N 3.19Å
19	S	40.8	Very low	55.6	Low	121 Å²	121	91.6 Å²	91.6	85%	0.846	52%	0.516	S	S	*	.			trans	-56.1	102.1	172.9	49.8	0	0	0	0	109.6	D21	S19-D21 PolarHBondContact O-N 2.75Å
20	V	49.3	Very low	58.1	Low	129 Å²	129	88.1 Å²	88.1	78%	0.782	50%	0.502	S	S	*	.			trans	-60.1	110.2	177.5	-179	0	0	0	0	107.4	G18 S22	G18-V20 PolarHBondContact O-N 3.19Å; V20-S22 PolarHBondContact O-N 3.48Å; V20-S22 VanDerWaalsContact O-N 3.08Å; V20-S22 PolarHBondContact O-OG 2.91Å
21	D	56.5	Low	60.6	Low	138 Å²	138	86.6 Å²	86.6	74%	0.738	49%	0.486	S	S	*	.			trans	-67.4	116	-171.5	-158.7	3.7	0	0	0	108.8	S19	S19-D21 PolarHBondContact O-N 2.75Å
22	S	73	Confident	63.3	Low	44 Å²	44	79.3 Å²	79.3	31%	0.308	45%	0.451	S	S	.	.			trans	-118.2	124.1	-160.5	35	0	0	0	0	109	V20 K27	V20-S22 PolarHBondContact O-N 3.48Å; V20-S22 VanDerWaalsContact O-N 3.08Å; V20-S22 PolarHBondContact O-OG 2.91Å; S22-K27 WeakPolarHBondContact O-CE 3.36Å; S22-K27 PolarHBondContact O-NZ 2.82Å; S22-K27 WeakPolarHBondContact OG-CE 3.47Å
23	S	84	Confident	66	Low	14 Å²	14	79.3 Å²	79.3	10%	0.098	44%	0.441	C	S	.	.			trans	-70.7	168.4	-173.9	74.8	0	0	0	0	112.2	Y25 D26 K27 T176	S23-Y25 PolarHBondContact O-N 3.01Å; S23-Y25 PolarHBondContact OG-N 3.33Å; S23-D26 WeakPolarHBondContact CB-OD2 3.49Å; S23-D26 PolarHBondContact N-OD2 3.26Å; S23-D26 PolarHBondContact O-N 3.32Å; S23-D26 PolarHBondContact OG-N 3.43Å; S23-D26 VanDerWaalsContact OG-N 3.09Å; S23-D26 PolarHBondContact OG-OD2 2.97Å; S23-K27 WeakPolarHBondContact O-CB 3.27Å; S23-K27 WeakPolarHBondContact O-CD 3.49Å; S23-K27 WeakPolarHBondContact O-CG 3.47Å; S23-K27 PolarHBondContact O-N 2.84Å; S23-T176 WeakPolarHBondContact CB-O 3.22Å
24	A	84.4	Confident	68.7	Low	30 Å²	30	81 Å²	81	25%	0.248	44%	0.438	C	S	.	.	H	α-helix	trans	-59.6	-31.7	172.3	0	0	0	0	0	111.7	I28	A24-I28 WeakPolarHBondContact O-CG1 3.44Å; A24-I28 PolarHBondContact O-N 2.98Å
25	Y	85.9	Confident	71.4	Confident	12 Å²	12	77.8 Å²	77.8	5%	0.047	42%	0.418	C	S	.	.	H	α-helix	trans	-65.8	-53.1	173	179.5	-95	0	0	0	111.3	S23 K27 I28 V29 F57 T176 H198 G214	S23-Y25 PolarHBondContact O-N 3.01Å; S23-Y25 PolarHBondContact OG-N 3.33Å; Y25-K27 VanDerWaalsContact C-N 3.29Å; Y25-K27 PolarHBondContact O-N 3.03Å; Y25-I28 PolarHBondContact O-N 3.25Å; Y25-V29 HydrophobicContact CD1-CG2 4.08Å; Y25-V29 HydrophobicContact CE1-CG2 3.78Å; Y25-V29 HydrophobicContact CE2-CG2 4.26Å; Y25-V29 HydrophobicContact CG-CG2 4.45Å; Y25-V29 WeakPolarHBondContact O-CG2 3.16Å; Y25-V29 PolarHBondContact O-N 3.25Å; Y25-F57 HydrophobicContact CE2-CD2 4.44Å; Y25-T176 HydrophobicContact CD1-CG2 3.98Å; Y25-T176 VanDerWaalsContact CD1-OG1 3.32Å; Y25-T176 WeakPolarHBondContact CD1-OG1 3.36Å; Y25-T176 HydrophobicContact CE1-CG2 4.16Å; Y25-T176 HydrophobicContact CG-CG2 4.32Å; Y25-H198 PolarHBondContact N-NE2 3.48Å; Y25-G214 PolarHBondContact OH-N 2.89Å
26	D	85.3	Confident	74.3	Confident	41 Å²	41	69.3 Å²	69.3	22%	0.219	38%	0.381	C	S	.	.	H	α-helix	trans	-61.3	-38.5	-177	-54	-51.9	0	0	0	112.2	S23 I28 T30	S23-D26 WeakPolarHBondContact CB-OD2 3.49Å; S23-D26 PolarHBondContact N-OD2 3.26Å; S23-D26 PolarHBondContact O-N 3.32Å; S23-D26 PolarHBondContact OG-N 3.43Å; S23-D26 VanDerWaalsContact OG-N 3.09Å; S23-D26 PolarHBondContact OG-OD2 2.97Å; D26-I28 PolarHBondContact O-N 3.1Å; D26-T30 VanDerWaalsContact O-CB 3.29Å; D26-T30 WeakPolarHBondContact O-CB 3.45Å; D26-T30 PolarHBondContact O-N 3.18Å; D26-T30 PolarHBondContact O-OG1 2.88Å
27	K	86.8	Confident	77.1	Confident	102 Å²	102	71 Å²	71	44%	0.443	38%	0.382	S	S	.	.	H	α-helix	trans	-61.2	-41.8	174.9	-75.2	162.5	174.9	150.2	0	111.4	S22 S23 Y25 T30 H31	S22-K27 WeakPolarHBondContact O-CE 3.36Å; S22-K27 PolarHBondContact O-NZ 2.82Å; S22-K27 WeakPolarHBondContact OG-CE 3.47Å; S23-K27 WeakPolarHBondContact O-CB 3.27Å; S23-K27 WeakPolarHBondContact O-CD 3.49Å; S23-K27 WeakPolarHBondContact O-CG 3.47Å; S23-K27 PolarHBondContact O-N 2.84Å; Y25-K27 VanDerWaalsContact C-N 3.29Å; Y25-K27 PolarHBondContact O-N 3.03Å; K27-T30 PolarHBondContact O-N 2.67Å; K27-H31 PolarHBondContact O-CD2 3.19Å; K27-H31 PolarHBondContact O-N 2.98Å
28	I	87.1	Confident	79.8	Confident	19 Å²	19	72.5 Å²	72.5	10%	0.097	38%	0.383	C	S	.	.	H	α-helix	trans	-77.3	-37.9	179.5	-64.5	-179.7	0	0	0	112.3	A24 Y25 D26 T30 H31 S32 F57 T59 N201	A24-I28 WeakPolarHBondContact O-CG1 3.44Å; A24-I28 PolarHBondContact O-N 2.98Å; Y25-I28 PolarHBondContact O-N 3.25Å; D26-I28 PolarHBondContact O-N 3.1Å; I28-T30 PolarHBondContact O-N 3.13Å; I28-H31 CarbonylContact O-C 3.56Å; I28-H31 PolarHBondContact O-N 3.14Å; I28-S32 WeakPolarHBondContact O-CB 3.31Å; I28-S32 PolarHBondContact O-N 2.8Å; I28-F57 HydrophobicContact CG2-CB 4.01Å; I28-F57 WeakPolarHBondContact CG2-O 3.49Å; I28-T59 HydrophobicContact CD1-CG2 3.81Å; I28-N201 VanDerWaalsContact CD1-C 3.48Å; I28-N201 WeakPolarHBondContact CD1-O 3.32Å
29	V	87.4	Confident	82.6	Confident	17 Å²	17	73.1 Å²	73.1	10%	0.103	37%	0.37	C	S	.	.	H	α-helix	trans	-60.8	-37.3	170.8	175.9	0	0	0	0	110.5	Y25 S32 R33 F57	Y25-V29 HydrophobicContact CD1-CG2 4.08Å; Y25-V29 HydrophobicContact CE1-CG2 3.78Å; Y25-V29 HydrophobicContact CE2-CG2 4.26Å; Y25-V29 HydrophobicContact CG-CG2 4.45Å; Y25-V29 WeakPolarHBondContact O-CG2 3.16Å; Y25-V29 PolarHBondContact O-N 3.25Å; V29-S32 WeakPolarHBondContact O-CB 3.27Å; V29-S32 PolarHBondContact O-N 3.05Å; V29-R33 PolarHBondContact O-N 2.93Å; V29-F57 HydrophobicContact CG2-CD1 4.11Å; V29-F57 HydrophobicContact CG2-CE1 4.23Å; V29-F57 HydrophobicContact CG2-CG 4.28Å
30	T	88.1	Confident	85.1	Confident	78 Å²	78	68.1 Å²	68.1	48%	0.479	34%	0.338	S	S	.	.	H	α-helix	trans	-64.2	-44.9	172.9	-59.6	0	0	0	0	112.1	D26 K27 I28 S32 R33 I34	D26-T30 VanDerWaalsContact O-CB 3.29Å; D26-T30 WeakPolarHBondContact O-CB 3.45Å; D26-T30 PolarHBondContact O-N 3.18Å; D26-T30 PolarHBondContact O-OG1 2.88Å; K27-T30 PolarHBondContact O-N 2.67Å; I28-T30 PolarHBondContact O-N 3.13Å; T30-S32 VanDerWaalsContact C-N 3.31Å; T30-S32 PolarHBondContact O-N 3.43Å; T30-R33 PolarHBondContact O-N 3.23Å; T30-I34 HydrophobicContact CG2-CD1 4.38Å; T30-I34 WeakPolarHBondContact O-CG1 3.46Å; T30-I34 PolarHBondContact O-N 2.75Å; T30-I34 VanDerWaalsContact O-N 3.13Å
31	H	89.3	Confident	87.1	Confident	91 Å²	91	65 Å²	65	42%	0.421	32%	0.321	S	S	.	.	H	α-helix	trans	-63.9	-34.2	172.6	-79.3	-63.6	0	0	0	113	K27 I28 I34 R35	K27-H31 PolarHBondContact O-CD2 3.19Å; K27-H31 PolarHBondContact O-N 2.98Å; I28-H31 CarbonylContact O-C 3.56Å; I28-H31 PolarHBondContact O-N 3.14Å; H31-I34 PolarHBondContact O-N 3.19Å; H31-R35 VanDerWaalsContact O-CG 3.31Å; H31-R35 WeakPolarHBondContact O-CG 3.31Å; H31-R35 PolarHBondContact O-N 3.36Å
32	S	90.2	Very high	88.7	Confident	0 Å²	0	60.2 Å²	60.2	0%	0	30%	0.295	C	S	.	.	H	α-helix	trans	-62.8	-44.7	174.8	179.1	0	0	0	0	111.8	I28 V29 T30 I34 R35 A36 C44 A45	I28-S32 WeakPolarHBondContact O-CB 3.31Å; I28-S32 PolarHBondContact O-N 2.8Å; V29-S32 WeakPolarHBondContact O-CB 3.27Å; V29-S32 PolarHBondContact O-N 3.05Å; T30-S32 VanDerWaalsContact C-N 3.31Å; T30-S32 PolarHBondContact O-N 3.43Å; S32-I34 VanDerWaalsContact C-N 3.34Å; S32-I34 PolarHBondContact O-N 2.65Å; S32-R35 PolarHBondContact O-N 3.16Å; S32-A36 PolarHBondContact O-N 3.36Å; S32-C44 WeakPolarHBondContact OG-CB 3.49Å; S32-A45 PolarHBondContact O-N 3.18Å; S32-A45 VanDerWaalsContact OG-C 3.32Å; S32-A45 PolarHBondContact OG-N 3.27Å; S32-A45 PolarHBondContact OG-O 2.93Å
33	R	91.3	Very high	89.7	Confident	89 Å²	89	58.5 Å²	58.5	34%	0.336	28%	0.283	S	S	.	.	H	α-helix	trans	-57.7	-43.3	170.9	-73.4	171.7	91.5	165.7	8.5	112.5	V29 T30 R35 A36 R37 N42 C80 Y83	V29-R33 PolarHBondContact O-N 2.93Å; T30-R33 PolarHBondContact O-N 3.23Å; R33-R35 VanDerWaalsContact C-N 3.35Å; R33-R35 PolarHBondContact O-N 2.9Å; R33-A36 PolarHBondContact O-N 2.91Å; R33-R37 PolarHBondContact O-N 3.24Å; R33-R37 VanDerWaalsContact O-N 3.12Å; R33-N42 PolarHBondContact NH2-OD1 3.03Å; R33-C80 WeakPolarHBondContact CG-SG 3.37Å; R33-Y83 PolarHBondContact NH2-OH 2.85Å
34	I	90.6	Very high	90.1	Very high	110 Å²	110	57.9 Å²	57.9	56%	0.564	28%	0.278	S	S	*	.	H	α-helix	trans	-63.3	-40.7	179.3	-67.5	166.2	0	0	0	111.1	T30 H31 S32 R37	T30-I34 HydrophobicContact CG2-CD1 4.38Å; T30-I34 WeakPolarHBondContact O-CG1 3.46Å; T30-I34 PolarHBondContact O-N 2.75Å; T30-I34 VanDerWaalsContact O-N 3.13Å; H31-I34 PolarHBondContact O-N 3.19Å; S32-I34 VanDerWaalsContact C-N 3.34Å; S32-I34 PolarHBondContact O-N 2.65Å; I34-R37 WeakPolarHBondContact O-CB 3.35Å
35	R	92.2	Very high	90.4	Very high	49 Å²	49	56.4 Å²	56.4	19%	0.185	27%	0.266	C	S	.	.	H	α-helix	trans	-65.3	-41	175.6	-65.8	164	-168.2	168.8	9.3	112.1	H31 S32 R33 R37 A45 S58 C60 W63	H31-R35 VanDerWaalsContact O-CG 3.31Å; H31-R35 WeakPolarHBondContact O-CG 3.31Å; H31-R35 PolarHBondContact O-N 3.36Å; S32-R35 PolarHBondContact O-N 3.16Å; R33-R35 VanDerWaalsContact C-N 3.35Å; R33-R35 PolarHBondContact O-N 2.9Å; R35-R37 VanDerWaalsContact C-N 3.33Å; R35-R37 PolarHBondContact O-N 3.49Å; R35-A45 HydrophobicContact CB-CB 3.9Å; R35-S58 PolarHBondContact NH1-O 3.23Å; R35-S58 PolarHBondContact NH1-OG 3.09Å; R35-S58 PolarHBondContact NH2-O 3.16Å; R35-C60 PolarHBondContact NH2-SG 2.93Å; R35-C60 VanDerWaalsContact NH2-SG 3.39Å; R35-W63 HydrophobicContact CB-CH2 4.5Å; R35-W63 HydrophobicContact CB-CZ2 4.27Å; R35-W63 HydrophobicContact CG-CZ2 4.33Å
36	A	93.2	Very high	90.6	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.265	C	S	.	.	H	α-helix	trans	-81.2	-1.6	-178.5	0	0	0	0	0	115.3	S32 R33 K38 E39 V43 A45 Y77	S32-A36 PolarHBondContact O-N 3.36Å; R33-A36 PolarHBondContact O-N 2.91Å; A36-K38 PolarHBondContact O-N 3.49Å; A36-E39 PolarHBondContact O-N 2.85Å; A36-V43 HydrophobicContact CB-CB 3.95Å; A36-V43 HydrophobicContact CB-CG1 3.91Å; A36-V43 VanDerWaalsContact CB-O 3.27Å; A36-V43 WeakPolarHBondContact CB-O 3.48Å; A36-A45 HydrophobicContact CB-CB 4.03Å; A36-Y77 HydrophobicContact CB-CD1 3.94Å; A36-Y77 HydrophobicContact CB-CE1 4.13Å
37	R	92.4	Very high	90.9	Very high	209 Å²	209	54.1 Å²	54.1	79%	0.789	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	-21.4	-171.7	-173.1	175.7	178.5	-172.7	0.8	115.5	R33 I34 R35	R33-R37 PolarHBondContact O-N 3.24Å; R33-R37 VanDerWaalsContact O-N 3.12Å; I34-R37 WeakPolarHBondContact O-CB 3.35Å; R35-R37 VanDerWaalsContact C-N 3.33Å; R35-R37 PolarHBondContact O-N 3.49Å
38	K	92.9	Very high	91	Very high	174 Å²	174	52 Å²	52	76%	0.757	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.2	-24.8	174.7	-69.8	-174.9	177.4	-177.5	0	113.7	A36 K90	A36-K38 PolarHBondContact O-N 3.49Å; K38-K90 VanDerWaalsContact O-CE 3.25Å; K38-K90 WeakPolarHBondContact O-CE 3.48Å; K38-K90 PolarHBondContact O-NZ 3.36Å
39	E	94	Very high	91.1	Very high	68 Å²	68	51.4 Å²	51.4	32%	0.318	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-14.2	-176.7	-54.9	-34	119.9	0	0	113.3	A36 V43 Y77 K90 G91	A36-E39 PolarHBondContact O-N 2.85Å; E39-V43 HydrophobicContact CB-CB 4.32Å; E39-V43 HydrophobicContact CB-CG1 4.02Å; E39-V43 HydrophobicContact CB-CG2 4.24Å; E39-Y77 HydrophobicContact CB-CD1 4.45Å; E39-Y77 HydrophobicContact CB-CG 4.48Å; E39-Y77 HydrophobicContact CG-CD1 3.78Å; E39-Y77 HydrophobicContact CG-CD2 3.97Å; E39-Y77 HydrophobicContact CG-CE1 3.96Å; E39-Y77 HydrophobicContact CG-CE2 4.14Å; E39-Y77 HydrophobicContact CG-CG 3.77Å; E39-K90 WeakPolarHBondContact O-CE 3.45Å; E39-K90 WeakPolarHBondContact O-CG 3.49Å; E39-K90 IonicContact OE2-NZ 3.11Å; E39-G91 WeakPolarHBondContact O-CA 3.34Å; E39-G91 PolarHBondContact O-N 3.41Å
40	G	92.3	Very high	91.2	Very high	16 Å²	16	55.1 Å²	55.1	17%	0.165	26%	0.26	C	S	.	.			trans	140.6	-172.9	164.8	0	0	0	0	0	113.2
41	P	92.1	Very high	91	Very high	65 Å²	65	55.6 Å²	55.6	42%	0.422	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	139.7	169.9	27.8	-35.6	0	0	0	110.5	V43 K90 C92 P93	P41-V43 PolarHBondContact O-N 3.22Å; P41-K90 WeakPolarHBondContact CD-O 3.46Å; P41-C92 CarbonylContact O-C 3.55Å; P41-C92 WeakPolarHBondContact O-CA 3.46Å; P41-C92 PolarHBondContact O-N 2.88Å; P41-P93 HydrophobicContact CG-CB 4.14Å
42	N	90.8	Very high	90.7	Very high	36 Å²	36	52.4 Å²	52.4	19%	0.193	27%	0.267	C	S	.	.	T	Hydrogen-bonded Turn	trans	52.1	21.5	171	-37.3	-53.7	0	0	0	117	R33 C80 Y83 C92	R33-N42 PolarHBondContact NH2-OD1 3.03Å; N42-C80 PolarHBondContact O-N 2.88Å; N42-C80 PolarHBondContact O-SG 3.35Å; N42-Y83 HydrophobicContact CB-CD1 3.51Å; N42-Y83 HydrophobicContact CB-CD2 3.72Å; N42-Y83 HydrophobicContact CB-CE1 3.87Å; N42-Y83 HydrophobicContact CB-CE2 4.04Å; N42-Y83 HydrophobicContact CB-CG 3.42Å; N42-Y83 VanDerWaalsContact CB-CG 3.42Å; N42-Y83 VanDerWaalsContact ND2-CD1 3.29Å; N42-Y83 WeakPolarHBondContact ND2-CD1 3.39Å; N42-Y83 VanDerWaalsContact ND2-CE1 3.31Å; N42-Y83 WeakPolarHBondContact ND2-CE1 3.19Å; N42-C92 HydrophobicContact CB-CB 4.33Å; N42-C92 WeakPolarHBondContact CB-O 3.27Å; N42-C92 PolarHBondContact ND2-O 3.47Å
43	V	93	Very high	90.3	Very high	9 Å²	9	59.5 Å²	59.5	6%	0.055	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	143.7	164.3	-170.4	0	0	0	0	108.4	A36 E39 P41 Y77 E78 C80 G91	A36-V43 HydrophobicContact CB-CB 3.95Å; A36-V43 HydrophobicContact CB-CG1 3.91Å; A36-V43 VanDerWaalsContact CB-O 3.27Å; A36-V43 WeakPolarHBondContact CB-O 3.48Å; E39-V43 HydrophobicContact CB-CB 4.32Å; E39-V43 HydrophobicContact CB-CG1 4.02Å; E39-V43 HydrophobicContact CB-CG2 4.24Å; P41-V43 PolarHBondContact O-N 3.22Å; V43-Y77 HydrophobicContact CG1-CD1 4.28Å; V43-E78 CarbonylContact C-O 3.52Å; V43-E78 WeakPolarHBondContact CA-O 3.49Å; V43-E78 WeakPolarHBondContact CG1-O 3.41Å; V43-C80 PolarHBondContact O-SG 2.92Å; V43-G91 VanDerWaalsContact CG2-CA 3.45Å
44	C	92	Very high	89.9	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	141.9	172.4	-90.8	0	0	0	0	109.1	S32 L46 F57 Y77 E78 C80	S32-C44 WeakPolarHBondContact OG-CB 3.49Å; C44-L46 HydrophobicContact CB-CD1 4.19Å; C44-F57 HydrophobicContact CB-CE1 3.93Å; C44-Y77 WeakPolarHBondContact O-CA 3.32Å; C44-E78 PolarHBondContact N-O 2.91Å; C44-E78 PolarHBondContact O-N 3.39Å; C44-E78 VanDerWaalsContact O-N 3.09Å; C44-C80 VanDerWaalsContact CA-SG 3.55Å; C44-C80 HydrophobicContact CB-CB 4.09Å; C44-C80 WeakPolarHBondContact CB-SG 3.16Å; C44-C80 PolarHBondContact N-SG 3.26Å; C44-C80 VanDerWaalsContact N-SG 3.4Å; C44-C80 VanDerWaalsContact SG-CA 3.51Å; C44-C80 WeakPolarHBondContact SG-CB 3.19Å; C44-C80 CovalentContact SG-SG 2.04Å; C44-C80 PolarHBondContact SG-SG 2.85Å
45	A	92.1	Very high	89.7	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	115.3	173.7	0	0	0	0	0	110.1	S32 R35 A36 W63 L76 Y77	S32-A45 PolarHBondContact O-N 3.18Å; S32-A45 VanDerWaalsContact OG-C 3.32Å; S32-A45 PolarHBondContact OG-N 3.27Å; S32-A45 PolarHBondContact OG-O 2.93Å; R35-A45 HydrophobicContact CB-CB 3.9Å; A36-A45 HydrophobicContact CB-CB 4.03Å; A45-W63 HydrophobicContact CB-CH2 3.58Å; A45-W63 HydrophobicContact CB-CZ3 3.98Å; A45-L76 WeakPolarHBondContact CA-O 3.41Å; A45-Y77 HydrophobicContact CB-CD1 3.98Å; A45-Y77 HydrophobicContact CB-CE1 3.72Å
46	L	90.7	Very high	89.4	Confident	3 Å²	3	53.7 Å²	53.7	2%	0.016	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	160.5	176.3	-64.4	89.4	0	0	0	109.4	C44 K55 F57 V75 L76 E78	C44-L46 HydrophobicContact CB-CD1 4.19Å; L46-K55 HydrophobicContact CD2-CB 4.01Å; L46-F57 HydrophobicContact CD1-CE1 4.2Å; L46-F57 HydrophobicContact CD1-CZ 4.36Å; L46-F57 HydrophobicContact CD2-CD2 4.42Å; L46-F57 HydrophobicContact CD2-CE1 4.27Å; L46-F57 HydrophobicContact CD2-CE2 4.02Å; L46-F57 HydrophobicContact CD2-CZ 3.94Å; L46-F57 HydrophobicContact CG-CD1 4.26Å; L46-F57 HydrophobicContact CG-CE1 3.98Å; L46-F57 HydrophobicContact CG-CZ 4.15Å; L46-V75 WeakPolarHBondContact O-CA 3.5Å; L46-L76 PolarHBondContact N-O 2.9Å; L46-L76 PolarHBondContact O-N 3.33Å; L46-E78 HydrophobicContact CD1-CB 3.98Å; L46-E78 HydrophobicContact CD1-CG 4.27Å
47	Q	89.8	Confident	89	Confident	1 Å²	1	54.9 Å²	54.9	1%	0.005	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	123.3	166.8	-81.7	-176	-73.3	0	0	110.6	K55 Y56 S58 W63 I68 A73 E74 V75	Q47-K55 CarbonylContact O-C 3.49Å; Q47-K55 WeakPolarHBondContact O-CA 3.35Å; Q47-Y56 PolarHBondContact N-O 2.98Å; Q47-Y56 PolarHBondContact O-N 3.19Å; Q47-S58 VanDerWaalsContact OE1-CB 3.26Å; Q47-S58 PolarHBondContact OE1-OG 3.3Å; Q47-W63 HydrophobicContact CG-CE3 3.83Å; Q47-W63 HydrophobicContact CG-CZ3 3.83Å; Q47-I68 HydrophobicContact CB-CD1 3.78Å; Q47-A73 HydrophobicContact CB-CB 4.22Å; Q47-A73 HydrophobicContact CG-CB 4.44Å; Q47-A73 PolarHBondContact NE2-O 3.49Å; Q47-E74 CarbonylContact C-O 3.52Å; Q47-E74 VanDerWaalsContact CA-O 3.25Å; Q47-E74 WeakPolarHBondContact CA-O 3.3Å; Q47-V75 HydrophobicContact CG-CG2 4.37Å
48	Q	89.8	Confident	88.4	Confident	58 Å²	58	45 Å²	45	27%	0.271	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	137.2	169.3	-176.6	173.9	-18.5	0	0	109.7	T52 K54 K55 A73 E74 L76	Q48-T52 PolarHBondContact NE2-O 2.88Å; Q48-K54 WeakPolarHBondContact CA-O 3.37Å; Q48-K55 HydrophobicContact CB-CG 4.36Å; Q48-K55 HydrophobicContact CG-CG 4.49Å; Q48-A73 CarbonylContact O-C 3.4Å; Q48-A73 VanDerWaalsContact O-CA 3.27Å; Q48-A73 WeakPolarHBondContact O-CA 3.22Å; Q48-E74 PolarHBondContact N-O 3.44Å; Q48-E74 PolarHBondContact O-N 3.44Å; Q48-L76 HydrophobicContact CB-CD1 4.17Å; Q48-L76 HydrophobicContact CB-CG 4.32Å; Q48-L76 VanDerWaalsContact OE1-CD1 3.28Å
49	V	89.3	Confident	87.8	Confident	6 Å²	6	38 Å²	38	4%	0.036	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	128.3	179.2	-168.7	0	0	0	0	109.7	G51 T52 K54 Y56 I68 K71	V49-G51 PolarHBondContact O-N 2.95Å; V49-T52 HydrophobicContact CB-CG2 4.39Å; V49-T52 HydrophobicContact CG1-CG2 4.44Å; V49-T52 PolarHBondContact O-N 2.88Å; V49-T52 PolarHBondContact O-OG1 3.28Å; V49-K54 PolarHBondContact N-O 3.4Å; V49-K54 VanDerWaalsContact N-O 3.14Å; V49-Y56 HydrophobicContact CG2-CD2 3.94Å; V49-Y56 HydrophobicContact CG2-CE2 3.66Å; V49-I68 HydrophobicContact CG2-CB 3.97Å; V49-I68 HydrophobicContact CG2-CD1 4.37Å; V49-I68 HydrophobicContact CG2-CG2 3.92Å; V49-K71 HydrophobicContact CG1-CB 3.67Å; V49-K71 HydrophobicContact CG1-CG 4.13Å
50	E	88.6	Confident	87.1	Confident	96 Å²	96	37.2 Å²	37.2	45%	0.449	21%	0.213	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.3	129.4	-178.7	-176	171.3	-111.6	0	0	111	K72	E50-K72 HydrophobicContact CB-CB 4.19Å; E50-K72 VanDerWaalsContact CB-O 3.24Å; E50-K72 WeakPolarHBondContact CB-O 3.29Å; E50-K72 PolarHBondContact N-O 2.91Å; E50-K72 WeakPolarHBondContact OE1-CD 3.5Å; E50-K72 IonicContact OE1-NZ 3.61Å; E50-K72 PolarHBondContact OE1-NZ 3.16Å; E50-K72 WeakPolarHBondContact OE2-CB 3.46Å
51	G	83.8	Confident	86.4	Confident	87 Å²	87	44.5 Å²	44.5	90%	0.897	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	86.9	-6.2	-174.9	0	0	0	0	0	115.6	V49	V49-G51 PolarHBondContact O-N 2.95Å
52	T	83.6	Confident	85.7	Confident	25 Å²	25	42 Å²	42	15%	0.153	22%	0.219	C	C	.	.	S	Bend	trans	-125.6	168	178.9	90.4	0	0	0	0	111.8	Q48 V49 K54 D336	Q48-T52 PolarHBondContact NE2-O 2.88Å; V49-T52 HydrophobicContact CB-CG2 4.39Å; V49-T52 HydrophobicContact CG1-CG2 4.44Å; V49-T52 PolarHBondContact O-N 2.88Å; V49-T52 PolarHBondContact O-OG1 3.28Å; T52-K54 WeakPolarHBondContact OG1-CB 3.43Å; T52-K54 PolarHBondContact OG1-N 2.71Å; T52-D336 VanDerWaalsContact CG2-OD2 3.29Å; T52-D336 WeakPolarHBondContact CG2-OD2 3.38Å
53	K	81.8	Confident	85.2	Confident	149 Å²	149	42.2 Å²	42.2	65%	0.648	22%	0.217	S	C	*	.			trans	-84	-6	169.6	-67.8	-177	-178	175.4	0	113.5	K55 E140	K53-K55 PolarHBondContact O-N 3.5Å; K53-E140 HydrophobicContact CD-CG 4.31Å
54	K	83.8	Confident	84.7	Confident	45 Å²	45	50.9 Å²	50.9	20%	0.196	25%	0.25	C	C	.	.			trans	-75.8	126.6	-165.4	-63.6	-173.7	175.6	175.2	0	112.1	Q48 V49 T52 Y56 E313 D336	Q48-K54 WeakPolarHBondContact CA-O 3.37Å; V49-K54 PolarHBondContact N-O 3.4Å; V49-K54 VanDerWaalsContact N-O 3.14Å; T52-K54 WeakPolarHBondContact OG1-CB 3.43Å; T52-K54 PolarHBondContact OG1-N 2.71Å; K54-Y56 HydrophobicContact CB-CE2 3.71Å; K54-Y56 WeakPolarHBondContact CD-OH 3.37Å; K54-E313 WeakPolarHBondContact CE-OE1 3.39Å; K54-E313 IonicContact NZ-OE1 3.36Å; K54-E313 PolarHBondContact NZ-OE1 3.4Å; K54-D336 WeakPolarHBondContact CD-OD1 3.24Å; K54-D336 WeakPolarHBondContact CE-OD1 3.08Å; K54-D336 IonicContact NZ-OD1 3.95Å; K54-D336 PolarHBondContact NZ-OD1 2.96Å
55	K	85.7	Confident	84.2	Confident	62 Å²	62	56.2 Å²	56.2	27%	0.27	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	134.5	-178.2	-57.2	177	-169.4	173	0	110.4	L46 Q47 Q48 K53 L76 E78	L46-K55 HydrophobicContact CD2-CB 4.01Å; Q47-K55 CarbonylContact O-C 3.49Å; Q47-K55 WeakPolarHBondContact O-CA 3.35Å; Q48-K55 HydrophobicContact CB-CG 4.36Å; Q48-K55 HydrophobicContact CG-CG 4.49Å; K53-K55 PolarHBondContact O-N 3.5Å; K55-L76 HydrophobicContact CD-CD1 4.15Å; K55-L76 HydrophobicContact CG-CD1 4.48Å; K55-E78 IonicContact NZ-OE1 3.67Å; K55-E78 PolarHBondContact NZ-OE1 3.26Å; K55-E78 IonicContact NZ-OE2 2.66Å; K55-E78 PolarHBondContact NZ-OE2 3.03Å
56	Y	86.4	Confident	83.9	Confident	18 Å²	18	63.5 Å²	63.5	7%	0.071	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.1	-178	-62	-88.5	0	0	0	112.5	Q47 V49 K54 S58 I68 E313 M316	Q47-Y56 PolarHBondContact N-O 2.98Å; Q47-Y56 PolarHBondContact O-N 3.19Å; V49-Y56 HydrophobicContact CG2-CD2 3.94Å; V49-Y56 HydrophobicContact CG2-CE2 3.66Å; K54-Y56 HydrophobicContact CB-CE2 3.71Å; K54-Y56 WeakPolarHBondContact CD-OH 3.37Å; Y56-S58 PolarHBondContact O-N 2.89Å; Y56-I68 HydrophobicContact CD2-CD1 3.99Å; Y56-I68 HydrophobicContact CD2-CG2 4.37Å; Y56-I68 HydrophobicContact CE2-CG2 4.36Å; Y56-I68 HydrophobicContact CG-CD1 4.34Å; Y56-E313 PolarHBondContact OH-OE2 3.46Å; Y56-M316 HydrophobicContact CD1-CE 3.79Å; Y56-M316 HydrophobicContact CD2-CE 4.32Å; Y56-M316 HydrophobicContact CG-CE 3.62Å
57	F	85.1	Confident	83.9	Confident	26 Å²	26	65.2 Å²	65.2	11%	0.114	32%	0.317	C	S	.	.			trans	-73.6	95.7	157.9	-70.7	-77	0	0	0	108.2	Y25 I28 V29 C44 L46	Y25-F57 HydrophobicContact CE2-CD2 4.44Å; I28-F57 HydrophobicContact CG2-CB 4.01Å; I28-F57 WeakPolarHBondContact CG2-O 3.49Å; V29-F57 HydrophobicContact CG2-CD1 4.11Å; V29-F57 HydrophobicContact CG2-CE1 4.23Å; V29-F57 HydrophobicContact CG2-CG 4.28Å; C44-F57 HydrophobicContact CB-CE1 3.93Å; L46-F57 HydrophobicContact CD1-CE1 4.2Å; L46-F57 HydrophobicContact CD1-CZ 4.36Å; L46-F57 HydrophobicContact CD2-CD2 4.42Å; L46-F57 HydrophobicContact CD2-CE1 4.27Å; L46-F57 HydrophobicContact CD2-CE2 4.02Å; L46-F57 HydrophobicContact CD2-CZ 3.94Å; L46-F57 HydrophobicContact CG-CD1 4.26Å; L46-F57 HydrophobicContact CG-CE1 3.98Å; L46-F57 HydrophobicContact CG-CZ 4.15Å
58	S	78.9	Confident	83.8	Confident	0 Å²	0	65.3 Å²	65.3	0%	0	32%	0.318	C	S	.	.			trans	-92.2	146.1	-167.2	70.6	0	0	0	0	114.8	R35 Q47 Y56	R35-S58 PolarHBondContact NH1-O 3.23Å; R35-S58 PolarHBondContact NH1-OG 3.09Å; R35-S58 PolarHBondContact NH2-O 3.16Å; Q47-S58 VanDerWaalsContact OE1-CB 3.26Å; Q47-S58 PolarHBondContact OE1-OG 3.3Å; Y56-S58 PolarHBondContact O-N 2.89Å
59	T	80.2	Confident	83.8	Confident	28 Å²	28	63.1 Å²	63.1	17%	0.172	31%	0.309	C	S	.	.			trans	-58.2	157.6	169.8	68.5	0	0	0	0	111.6	I28 R61 N62 W63 N201	I28-T59 HydrophobicContact CD1-CG2 3.81Å; T59-R61 PolarHBondContact O-N 3.21Å; T59-N62 PolarHBondContact O-N 3.36Å; T59-N62 PolarHBondContact OG1-N 3.21Å; T59-W63 WeakPolarHBondContact O-CB 3.35Å; T59-W63 PolarHBondContact O-N 2.96Å; T59-N201 HydrophobicContact CG2-CB 3.73Å
60	C	79	Confident	83.8	Confident	52 Å²	52	65.8 Å²	65.8	35%	0.351	34%	0.338	S	S	.	.	H	α-helix	trans	-59.4	-31.5	175.9	-65	0	0	0	0	112.8	R35 Y64	R35-C60 PolarHBondContact NH2-SG 2.93Å; R35-C60 VanDerWaalsContact NH2-SG 3.39Å; C60-Y64 HydrophobicContact CB-CE2 4.38Å; C60-Y64 WeakPolarHBondContact O-CD2 3.34Å; C60-Y64 PolarHBondContact O-N 3.12Å; C60-Y64 VanDerWaalsContact O-N 3.14Å
61	R	77.8	Confident	83.8	Confident	169 Å²	169	64.7 Å²	64.7	64%	0.638	33%	0.331	S	S	*	.	H	α-helix	trans	-62	-45.5	176.1	-169.3	-177.5	-172.7	-152.6	2.5	111.5	T59 K65	T59-R61 PolarHBondContact O-N 3.21Å; R61-K65 WeakPolarHBondContact O-CG 3.15Å; R61-K65 PolarHBondContact O-N 2.62Å
62	N	77.7	Confident	84.2	Confident	11 Å²	11	65.2 Å²	65.2	6%	0.059	31%	0.309	C	S	.	.	H	α-helix	trans	-77.3	-36.6	-178.6	-62.6	-2.1	0	0	0	111.2	T59 Y64 K65 K66 M316	T59-N62 PolarHBondContact O-N 3.36Å; T59-N62 PolarHBondContact OG1-N 3.21Å; N62-Y64 PolarHBondContact O-N 3.43Å; N62-K65 PolarHBondContact O-N 2.78Å; N62-K66 PolarHBondContact O-N 2.7Å; N62-M316 WeakPolarHBondContact ND2-CB 3.46Å; N62-M316 PolarHBondContact ND2-SD 3.05Å
63	W	81.2	Confident	84.6	Confident	42 Å²	42	64.4 Å²	64.4	16%	0.159	31%	0.305	C	S	.	.	H	α-helix	trans	-55.2	-50.2	174	-174.4	-89.6	0	0	0	112.7	R35 A45 Q47 T59 K65 K66 V75	R35-W63 HydrophobicContact CB-CH2 4.5Å; R35-W63 HydrophobicContact CB-CZ2 4.27Å; R35-W63 HydrophobicContact CG-CZ2 4.33Å; A45-W63 HydrophobicContact CB-CH2 3.58Å; A45-W63 HydrophobicContact CB-CZ3 3.98Å; Q47-W63 HydrophobicContact CG-CE3 3.83Å; Q47-W63 HydrophobicContact CG-CZ3 3.83Å; T59-W63 WeakPolarHBondContact O-CB 3.35Å; T59-W63 PolarHBondContact O-N 2.96Å; W63-K65 PolarHBondContact O-N 3.38Å; W63-K66 PolarHBondContact O-N 3.29Å; W63-V75 HydrophobicContact CH2-CB 4.2Å; W63-V75 HydrophobicContact CH2-CG1 3.57Å; W63-V75 HydrophobicContact CH2-CG2 3.52Å; W63-V75 HydrophobicContact CZ2-CG1 4.3Å; W63-V75 HydrophobicContact CZ2-CG2 3.89Å; W63-V75 HydrophobicContact CZ3-CG1 4.4Å; W63-V75 HydrophobicContact CZ3-CG2 4.04Å
64	Y	82.1	Confident	85.1	Confident	190 Å²	190	62.1 Å²	62.1	75%	0.745	30%	0.296	S	S	*	.	H	α-helix	trans	-72.7	-24.7	179.8	-69.2	-57.3	0	0	0	114	C60 N62 K66	C60-Y64 HydrophobicContact CB-CE2 4.38Å; C60-Y64 WeakPolarHBondContact O-CD2 3.34Å; C60-Y64 PolarHBondContact O-N 3.12Å; C60-Y64 VanDerWaalsContact O-N 3.14Å; N62-Y64 PolarHBondContact O-N 3.43Å; Y64-K66 PolarHBondContact O-N 2.94Å
65	K	82.1	Confident	85.4	Confident	113 Å²	113	62.7 Å²	62.7	49%	0.491	30%	0.304	S	S	.	.	H	α-helix	trans	-65.9	-24.5	170.3	-81.1	-175.2	170.1	-167.4	0	113.2	R61 N62 W63 S67	R61-K65 WeakPolarHBondContact O-CG 3.15Å; R61-K65 PolarHBondContact O-N 2.62Å; N62-K65 PolarHBondContact O-N 2.78Å; W63-K65 PolarHBondContact O-N 3.38Å; K65-S67 PolarHBondContact O-N 2.68Å; K65-S67 PolarHBondContact O-OG 3.45Å
66	K	85.5	Confident	85.7	Confident	152 Å²	152	62.3 Å²	62.3	66%	0.661	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.6	23.6	-170.5	-54.9	-176.1	-179.2	179.4	0	113.9	N62 W63 Y64 A73	N62-K66 PolarHBondContact O-N 2.7Å; W63-K66 PolarHBondContact O-N 3.29Å; Y64-K66 PolarHBondContact O-N 2.94Å; K66-A73 PolarHBondContact O-N 3.38Å
67	S	88.9	Confident	86	Confident	40 Å²	40	66.2 Å²	66.2	28%	0.28	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	148.6	179.6	56.3	0	0	0	0	111.6	K65 K71	K65-S67 PolarHBondContact O-N 2.68Å; K65-S67 PolarHBondContact O-OG 3.45Å; S67-K71 CarbonylContact C-O 3.58Å; S67-K71 WeakPolarHBondContact CA-O 3.5Å; S67-K71 WeakPolarHBondContact CB-O 3.4Å
68	I	89.1	Confident	86.2	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.01	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	131.8	177.2	-63.7	172.7	0	0	0	105.2	Q47 V49 Y56 G70 K71 A73 M316	Q47-I68 HydrophobicContact CB-CD1 3.78Å; V49-I68 HydrophobicContact CG2-CB 3.97Å; V49-I68 HydrophobicContact CG2-CD1 4.37Å; V49-I68 HydrophobicContact CG2-CG2 3.92Å; Y56-I68 HydrophobicContact CD2-CD1 3.99Å; Y56-I68 HydrophobicContact CD2-CG2 4.37Å; Y56-I68 HydrophobicContact CE2-CG2 4.36Å; Y56-I68 HydrophobicContact CG-CD1 4.34Å; I68-G70 PolarHBondContact O-N 2.78Å; I68-K71 PolarHBondContact N-O 3.19Å; I68-K71 PolarHBondContact O-N 2.75Å; I68-K71 VanDerWaalsContact O-N 3.17Å; I68-A73 HydrophobicContact CB-CB 4.34Å; I68-A73 HydrophobicContact CD1-CB 4.01Å; I68-A73 HydrophobicContact CG1-CB 3.91Å; I68-M316 HydrophobicContact CD1-CE 3.68Å; I68-M316 HydrophobicContact CG1-CE 4.05Å; I68-M316 HydrophobicContact CG2-CB 4.3Å; I68-M316 HydrophobicContact CG2-CE 4.03Å
69	C	89.8	Confident	86.7	Confident	12 Å²	12	69 Å²	69	8%	0.081	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	46.1	56.2	-177.8	-62.7	0	0	0	0	113.6	K71 I315 M316 C333 D334 G335	C69-K71 PolarHBondContact O-N 2.98Å; C69-I315 PolarHBondContact SG-O 3.39Å; C69-I315 VanDerWaalsContact SG-O 3.38Å; C69-M316 PolarHBondContact N-O 3.03Å; C69-C333 CarbonylContact C-O 3.51Å; C69-C333 WeakPolarHBondContact CA-O 3.38Å; C69-C333 WeakPolarHBondContact CA-SG 3.23Å; C69-C333 HydrophobicContact CB-CB 3.57Å; C69-C333 WeakPolarHBondContact CB-SG 3.48Å; C69-C333 WeakPolarHBondContact SG-CB 3.44Å; C69-C333 CovalentContact SG-SG 2.03Å; C69-C333 PolarHBondContact SG-SG 3Å; C69-D334 CarbonylContact O-C 3.48Å; C69-D334 VanDerWaalsContact O-CA 3.3Å; C69-D334 WeakPolarHBondContact O-CA 3.25Å; C69-G335 WeakPolarHBondContact CB-O 3.4Å; C69-G335 PolarHBondContact O-N 3.4Å
70	G	88	Confident	87.1	Confident	63 Å²	63	67.8 Å²	67.8	65%	0.649	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.2	-28.8	179.6	0	0	0	0	0	116.1	I68	I68-G70 PolarHBondContact O-N 2.78Å
71	K	90.3	Very high	87.2	Confident	72 Å²	72	66.4 Å²	66.4	31%	0.313	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	154.6	-177.4	-49.8	-47.6	-177.6	-155.1	0	111.9	V49 S67 I68 C69 D334	V49-K71 HydrophobicContact CG1-CB 3.67Å; V49-K71 HydrophobicContact CG1-CG 4.13Å; S67-K71 CarbonylContact C-O 3.58Å; S67-K71 WeakPolarHBondContact CA-O 3.5Å; S67-K71 WeakPolarHBondContact CB-O 3.4Å; I68-K71 PolarHBondContact N-O 3.19Å; I68-K71 PolarHBondContact O-N 2.75Å; I68-K71 VanDerWaalsContact O-N 3.17Å; C69-K71 PolarHBondContact O-N 2.98Å; K71-D334 VanDerWaalsContact CE-OD1 3.3Å; K71-D334 WeakPolarHBondContact CE-OD1 3.49Å; K71-D334 IonicContact NZ-OD1 3.47Å; K71-D334 PolarHBondContact NZ-OD1 2.67Å; K71-D334 IonicContact NZ-OD2 2.7Å; K71-D334 PolarHBondContact NZ-OD2 2.68Å
72	K	91.8	Very high	87.3	Confident	99 Å²	99	59.6 Å²	59.6	43%	0.43	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.7	143.9	168.7	173.1	179.1	155.4	-125.3	0	109.5	E50 E74	E50-K72 HydrophobicContact CB-CB 4.19Å; E50-K72 VanDerWaalsContact CB-O 3.24Å; E50-K72 WeakPolarHBondContact CB-O 3.29Å; E50-K72 PolarHBondContact N-O 2.91Å; E50-K72 WeakPolarHBondContact OE1-CD 3.5Å; E50-K72 IonicContact OE1-NZ 3.61Å; E50-K72 PolarHBondContact OE1-NZ 3.16Å; E50-K72 WeakPolarHBondContact OE2-CB 3.46Å; K72-E74 VanDerWaalsContact CE-OE1 3.23Å; K72-E74 WeakPolarHBondContact CE-OE1 3.41Å; K72-E74 IonicContact NZ-OE1 2.64Å; K72-E74 PolarHBondContact NZ-OE1 3.47Å
73	A	91.4	Very high	87.7	Confident	7 Å²	7	62.2 Å²	62.2	6%	0.058	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	105.9	-176.9	0	0	0	0	0	110.6	Q47 Q48 K66 I68	Q47-A73 HydrophobicContact CB-CB 4.22Å; Q47-A73 HydrophobicContact CG-CB 4.44Å; Q47-A73 PolarHBondContact NE2-O 3.49Å; Q48-A73 CarbonylContact O-C 3.4Å; Q48-A73 VanDerWaalsContact O-CA 3.27Å; Q48-A73 WeakPolarHBondContact O-CA 3.22Å; K66-A73 PolarHBondContact O-N 3.38Å; I68-A73 HydrophobicContact CB-CB 4.34Å; I68-A73 HydrophobicContact CD1-CB 4.01Å; I68-A73 HydrophobicContact CG1-CB 3.91Å
74	E	91.8	Very high	87.8	Confident	102 Å²	102	64 Å²	64	48%	0.477	32%	0.322	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	150.8	-177.1	-55.5	-146.5	134.2	0	0	111.5	Q47 Q48 K72	Q47-E74 CarbonylContact C-O 3.52Å; Q47-E74 VanDerWaalsContact CA-O 3.25Å; Q47-E74 WeakPolarHBondContact CA-O 3.3Å; Q48-E74 PolarHBondContact N-O 3.44Å; Q48-E74 PolarHBondContact O-N 3.44Å; K72-E74 VanDerWaalsContact CE-OE1 3.23Å; K72-E74 WeakPolarHBondContact CE-OE1 3.41Å; K72-E74 IonicContact NZ-OE1 2.64Å; K72-E74 PolarHBondContact NZ-OE1 3.47Å
75	V	91.6	Very high	88.1	Confident	57 Å²	57	61.2 Å²	61.2	35%	0.345	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	120.1	-176.6	172.3	0	0	0	0	110.5	L46 Q47 W63 Y77	L46-V75 WeakPolarHBondContact O-CA 3.5Å; Q47-V75 HydrophobicContact CG-CG2 4.37Å; W63-V75 HydrophobicContact CH2-CB 4.2Å; W63-V75 HydrophobicContact CH2-CG1 3.57Å; W63-V75 HydrophobicContact CH2-CG2 3.52Å; W63-V75 HydrophobicContact CZ2-CG1 4.3Å; W63-V75 HydrophobicContact CZ2-CG2 3.89Å; W63-V75 HydrophobicContact CZ3-CG1 4.4Å; W63-V75 HydrophobicContact CZ3-CG2 4.04Å; V75-Y77 HydrophobicContact CG1-CD2 4.39Å; V75-Y77 HydrophobicContact CG1-CE1 3.98Å; V75-Y77 HydrophobicContact CG1-CE2 3.78Å
76	L	91.6	Very high	88.3	Confident	53 Å²	53	59.2 Å²	59.2	28%	0.277	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	153.3	169.6	-68.8	-171.1	0	0	0	111.7	A45 L46 Q48 K55	A45-L76 WeakPolarHBondContact CA-O 3.41Å; L46-L76 PolarHBondContact N-O 2.9Å; L46-L76 PolarHBondContact O-N 3.33Å; Q48-L76 HydrophobicContact CB-CD1 4.17Å; Q48-L76 HydrophobicContact CB-CG 4.32Å; Q48-L76 VanDerWaalsContact OE1-CD1 3.28Å; K55-L76 HydrophobicContact CD-CD1 4.15Å; K55-L76 HydrophobicContact CG-CD1 4.48Å
77	Y	91.9	Very high	88.5	Confident	101 Å²	101	60.1 Å²	60.1	40%	0.396	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.9	105.6	177.5	-65.8	-69.1	0	0	0	110.4	A36 E39 V43 C44 A45 V75	A36-Y77 HydrophobicContact CB-CD1 3.94Å; A36-Y77 HydrophobicContact CB-CE1 4.13Å; E39-Y77 HydrophobicContact CB-CD1 4.45Å; E39-Y77 HydrophobicContact CB-CG 4.48Å; E39-Y77 HydrophobicContact CG-CD1 3.78Å; E39-Y77 HydrophobicContact CG-CD2 3.97Å; E39-Y77 HydrophobicContact CG-CE1 3.96Å; E39-Y77 HydrophobicContact CG-CE2 4.14Å; E39-Y77 HydrophobicContact CG-CG 3.77Å; V43-Y77 HydrophobicContact CG1-CD1 4.28Å; C44-Y77 WeakPolarHBondContact O-CA 3.32Å; A45-Y77 HydrophobicContact CB-CD1 3.98Å; A45-Y77 HydrophobicContact CB-CE1 3.72Å; V75-Y77 HydrophobicContact CG1-CD2 4.39Å; V75-Y77 HydrophobicContact CG1-CE1 3.98Å; V75-Y77 HydrophobicContact CG1-CE2 3.78Å
78	E	90.6	Very high	88.5	Confident	50 Å²	50	62.7 Å²	62.7	23%	0.234	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	169.4	-176.1	-56.7	-172.3	143.9	0	0	109.6	V43 C44 L46 K55	V43-E78 CarbonylContact C-O 3.52Å; V43-E78 WeakPolarHBondContact CA-O 3.49Å; V43-E78 WeakPolarHBondContact CG1-O 3.41Å; C44-E78 PolarHBondContact N-O 2.91Å; C44-E78 PolarHBondContact O-N 3.39Å; C44-E78 VanDerWaalsContact O-N 3.09Å; L46-E78 HydrophobicContact CD1-CB 3.98Å; L46-E78 HydrophobicContact CD1-CG 4.27Å; K55-E78 IonicContact NZ-OE1 3.67Å; K55-E78 PolarHBondContact NZ-OE1 3.26Å; K55-E78 IonicContact NZ-OE2 2.66Å; K55-E78 PolarHBondContact NZ-OE2 3.03Å
79	C	89.1	Confident	88.6	Confident	33 Å²	33	67.9 Å²	67.9	22%	0.223	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	142.7	171.8	-59.7	0	0	0	0	110.1	Y83 C92	C79-Y83 WeakPolarHBondContact CB-O 3.17Å; C79-C92 WeakPolarHBondContact CA-SG 3.47Å; C79-C92 HydrophobicContact CB-CB 3.74Å; C79-C92 WeakPolarHBondContact CB-SG 3.44Å; C79-C92 WeakPolarHBondContact SG-CB 3.44Å; C79-C92 CovalentContact SG-SG 2.03Å; C79-C92 PolarHBondContact SG-SG 3.1Å
80	C	87.5	Confident	88.7	Confident	3 Å²	3	73.5 Å²	73.5	2%	0.02	40%	0.401	C	S	.	.	P	Polyproline II helix	trans	-65.7	156	168.4	-59.9	0	0	0	0	110.8	R33 N42 V43 C44 G82 Y83	R33-C80 WeakPolarHBondContact CG-SG 3.37Å; N42-C80 PolarHBondContact O-N 2.88Å; N42-C80 PolarHBondContact O-SG 3.35Å; V43-C80 PolarHBondContact O-SG 2.92Å; C44-C80 VanDerWaalsContact CA-SG 3.55Å; C44-C80 HydrophobicContact CB-CB 4.09Å; C44-C80 WeakPolarHBondContact CB-SG 3.16Å; C44-C80 PolarHBondContact N-SG 3.26Å; C44-C80 VanDerWaalsContact N-SG 3.4Å; C44-C80 VanDerWaalsContact SG-CA 3.51Å; C44-C80 WeakPolarHBondContact SG-CB 3.19Å; C44-C80 CovalentContact SG-SG 2.04Å; C44-C80 PolarHBondContact SG-SG 2.85Å; C80-G82 PolarHBondContact O-N 3.17Å; C80-Y83 HydrophobicContact CB-CD2 4.04Å; C80-Y83 PolarHBondContact O-N 3.22Å
81	P	82.6	Confident	88.9	Confident	24 Å²	24	71.1 Å²	71.1	16%	0.156	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-47.7	137.2	171.3	-28.2	35.7	0	0	0	112.1	Y83 G214	P81-Y83 WeakPolarHBondContact O-CD2 3.43Å; P81-G214 WeakPolarHBondContact CB-O 3.44Å
82	G	78.6	Confident	89	Confident	25 Å²	25	67.7 Å²	67.7	26%	0.258	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.2	-1.4	-173.9	0	0	0	0	0	116.9	C80 V95 A96	C80-G82 PolarHBondContact O-N 3.17Å; G82-V95 WeakPolarHBondContact O-CA 3.34Å; G82-V95 VanDerWaalsContact O-CG1 3.3Å; G82-V95 WeakPolarHBondContact O-CG1 3.39Å; G82-A96 PolarHBondContact O-N 3.41Å
83	Y	85.9	Confident	89	Confident	66 Å²	66	65.3 Å²	65.3	26%	0.259	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	152.9	-177	-61.2	-86.8	0	0	0	113.7	R33 N42 C79 C80 P81 A94 V95	R33-Y83 PolarHBondContact NH2-OH 2.85Å; N42-Y83 HydrophobicContact CB-CD1 3.51Å; N42-Y83 HydrophobicContact CB-CD2 3.72Å; N42-Y83 HydrophobicContact CB-CE1 3.87Å; N42-Y83 HydrophobicContact CB-CE2 4.04Å; N42-Y83 HydrophobicContact CB-CG 3.42Å; N42-Y83 VanDerWaalsContact CB-CG 3.42Å; N42-Y83 VanDerWaalsContact ND2-CD1 3.29Å; N42-Y83 WeakPolarHBondContact ND2-CD1 3.39Å; N42-Y83 VanDerWaalsContact ND2-CE1 3.31Å; N42-Y83 WeakPolarHBondContact ND2-CE1 3.19Å; C79-Y83 WeakPolarHBondContact CB-O 3.17Å; C80-Y83 HydrophobicContact CB-CD2 4.04Å; C80-Y83 PolarHBondContact O-N 3.22Å; P81-Y83 WeakPolarHBondContact O-CD2 3.43Å; Y83-A94 WeakPolarHBondContact CA-O 3.41Å; Y83-V95 HydrophobicContact CD1-CG2 4.1Å; Y83-V95 HydrophobicContact CE1-CG2 3.87Å
84	M	83.9	Confident	88.6	Confident	81 Å²	81	65.9 Å²	65.9	40%	0.399	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	160.2	-179.2	67.5	-175.7	-71.9	0	0	112.7	C92 A94	M84-C92 CarbonylContact O-C 3.56Å; M84-C92 VanDerWaalsContact O-C 3.27Å; M84-C92 WeakPolarHBondContact O-CA 3.08Å; M84-C92 WeakPolarHBondContact O-CB 3.45Å; M84-A94 HydrophobicContact CG-CB 3.63Å; M84-A94 PolarHBondContact N-O 3.4Å; M84-A94 PolarHBondContact O-N 3.46Å; M84-A94 HydrophobicContact SD-CB 4.43Å
85	K	88.3	Confident	88.1	Confident	131 Å²	131	65.7 Å²	65.7	57%	0.57	37%	0.367	S	S	*	.			trans	-76.5	155.9	171.9	-59.2	-171.1	177.8	175.6	0	110.2
86	L	86.9	Confident	87.3	Confident	71 Å²	71	64.3 Å²	64.3	37%	0.372	36%	0.361	S	S	.	.			trans	-123.3	143.3	164.1	-66.8	-179.3	0	0	0	108.2	M89 P93 A94	L86-M89 HydrophobicContact CB-CB 4.26Å; L86-M89 HydrophobicContact CB-CG 4.09Å; L86-M89 HydrophobicContact CB-SD 4.03Å; L86-M89 HydrophobicContact CD1-CE 4.17Å; L86-M89 HydrophobicContact CD1-SD 3.86Å; L86-M89 WeakPolarHBondContact O-CB 3.37Å; L86-M89 PolarHBondContact O-N 3.25Å; L86-M89 VanDerWaalsContact O-N 3.09Å; L86-P93 HydrophobicContact CB-CG 4.15Å; L86-P93 HydrophobicContact CD1-CG 4.12Å; L86-P93 HydrophobicContact CG-CG 4.11Å; L86-A94 HydrophobicContact CD1-CB 4Å; L86-A94 HydrophobicContact CD2-CB 3.95Å; L86-A94 HydrophobicContact CG-CB 3.8Å
87	D	88.3	Confident	86.7	Confident	170 Å²	170	64.7 Å²	64.7	91%	0.909	37%	0.367	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.9	140.1	-176.9	-68.4	-41.3	0	0	0	112.1	M89	D87-M89 PolarHBondContact O-N 3.3Å; D87-M89 VanDerWaalsContact O-N 3.12Å
88	G	89.4	Confident	86.3	Confident	94 Å²	94	64.2 Å²	64.2	97%	0.969	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.6	-8.1	-173.4	0	0	0	0	0	115.7
89	M	92	Very high	86.4	Confident	112 Å²	112	65.8 Å²	65.8	55%	0.552	38%	0.378	S	S	*	.			trans	-98.2	144.1	-179.1	-58	-161.4	-174.9	0	0	113	L86 D87 P93	L86-M89 HydrophobicContact CB-CB 4.26Å; L86-M89 HydrophobicContact CB-CG 4.09Å; L86-M89 HydrophobicContact CB-SD 4.03Å; L86-M89 HydrophobicContact CD1-CE 4.17Å; L86-M89 HydrophobicContact CD1-SD 3.86Å; L86-M89 WeakPolarHBondContact O-CB 3.37Å; L86-M89 PolarHBondContact O-N 3.25Å; L86-M89 VanDerWaalsContact O-N 3.09Å; D87-M89 PolarHBondContact O-N 3.3Å; D87-M89 VanDerWaalsContact O-N 3.12Å; M89-P93 HydrophobicContact CB-CG 3.88Å; M89-P93 HydrophobicContact CG-CG 4.45Å; M89-P93 HydrophobicContact SD-CB 4.37Å; M89-P93 HydrophobicContact SD-CG 3.79Å
90	K	92	Very high	86.7	Confident	130 Å²	130	65.6 Å²	65.6	57%	0.565	37%	0.374	S	S	*	.	S	Bend	trans	-80.5	133.3	175.9	-179.1	164.4	-175.9	172.7	0	111.3	K38 E39 P41	K38-K90 VanDerWaalsContact O-CE 3.25Å; K38-K90 WeakPolarHBondContact O-CE 3.48Å; K38-K90 PolarHBondContact O-NZ 3.36Å; E39-K90 WeakPolarHBondContact O-CE 3.45Å; E39-K90 WeakPolarHBondContact O-CG 3.49Å; E39-K90 IonicContact OE2-NZ 3.11Å; P41-K90 WeakPolarHBondContact CD-O 3.46Å
91	G	91.7	Very high	87.1	Confident	13 Å²	13	65.4 Å²	65.4	13%	0.134	37%	0.373	C	S	.	.	S	Bend	trans	79.7	-146.5	178.2	0	0	0	0	0	113.2	E39 V43 P93	E39-G91 WeakPolarHBondContact O-CA 3.34Å; E39-G91 PolarHBondContact O-N 3.41Å; V43-G91 VanDerWaalsContact CG2-CA 3.45Å; G91-P93 WeakPolarHBondContact O-CD 3.48Å
92	C	92.8	Very high	87.8	Confident	0 Å²	0	65.2 Å²	65.2	0%	0	37%	0.37	C	S	.	.			trans	-124.1	74.3	-179.3	-54.3	0	0	0	0	109.6	P41 N42 C79 M84 A94	P41-C92 CarbonylContact O-C 3.55Å; P41-C92 WeakPolarHBondContact O-CA 3.46Å; P41-C92 PolarHBondContact O-N 2.88Å; N42-C92 HydrophobicContact CB-CB 4.33Å; N42-C92 WeakPolarHBondContact CB-O 3.27Å; N42-C92 PolarHBondContact ND2-O 3.47Å; C79-C92 WeakPolarHBondContact CA-SG 3.47Å; C79-C92 HydrophobicContact CB-CB 3.74Å; C79-C92 WeakPolarHBondContact CB-SG 3.44Å; C79-C92 WeakPolarHBondContact SG-CB 3.44Å; C79-C92 CovalentContact SG-SG 2.03Å; C79-C92 PolarHBondContact SG-SG 3.1Å; M84-C92 CarbonylContact O-C 3.56Å; M84-C92 VanDerWaalsContact O-C 3.27Å; M84-C92 WeakPolarHBondContact O-CA 3.08Å; M84-C92 WeakPolarHBondContact O-CB 3.45Å; C92-A94 VanDerWaalsContact C-N 3.34Å; C92-A94 PolarHBondContact O-N 3Å
93	P	90.5	Very high	88.6	Confident	48 Å²	48	66.8 Å²	66.8	31%	0.312	37%	0.372	S	S	.	.			trans	-73.5	-24.8	-171.5	30.6	-36.5	0	0	0	113.3	P41 L86 M89 G91	P41-P93 HydrophobicContact CG-CB 4.14Å; L86-P93 HydrophobicContact CB-CG 4.15Å; L86-P93 HydrophobicContact CD1-CG 4.12Å; L86-P93 HydrophobicContact CG-CG 4.11Å; M89-P93 HydrophobicContact CB-CG 3.88Å; M89-P93 HydrophobicContact CG-CG 4.45Å; M89-P93 HydrophobicContact SD-CB 4.37Å; M89-P93 HydrophobicContact SD-CG 3.79Å; G91-P93 WeakPolarHBondContact O-CD 3.48Å
94	A	83.9	Confident	89	Confident	20 Å²	20	63.9 Å²	63.9	17%	0.165	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	146.4	-179.5	0	0	0	0	0	111.9	Y83 M84 L86 C92	Y83-A94 WeakPolarHBondContact CA-O 3.41Å; M84-A94 HydrophobicContact CG-CB 3.63Å; M84-A94 PolarHBondContact N-O 3.4Å; M84-A94 PolarHBondContact O-N 3.46Å; M84-A94 HydrophobicContact SD-CB 4.43Å; L86-A94 HydrophobicContact CD1-CB 4Å; L86-A94 HydrophobicContact CD2-CB 3.95Å; L86-A94 HydrophobicContact CG-CB 3.8Å; C92-A94 VanDerWaalsContact C-N 3.34Å; C92-A94 PolarHBondContact O-N 3Å
95	V	81	Confident	89.5	Confident	98 Å²	98	60 Å²	60	59%	0.594	34%	0.342	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-81.7	142	160.9	-171.6	0	0	0	0	106.8	G82 Y83	G82-V95 WeakPolarHBondContact O-CA 3.34Å; G82-V95 VanDerWaalsContact O-CG1 3.3Å; G82-V95 WeakPolarHBondContact O-CG1 3.39Å; Y83-V95 HydrophobicContact CD1-CG2 4.1Å; Y83-V95 HydrophobicContact CE1-CG2 3.87Å
96	A	74	Confident	89.7	Confident	27 Å²	27	55 Å²	55	22%	0.223	33%	0.327	C	S	.	.	P	Polyproline II helix	trans	-63.4	146.7	171.1	0	0	0	0	0	110.3	G82	G82-A96 PolarHBondContact O-N 3.41Å
97	P	79.4	Confident	89.8	Confident	61 Å²	61	55.6 Å²	55.6	40%	0.396	33%	0.331	S	S	.	.	P	Polyproline II helix	trans	-60.7	144.6	171.5	28.2	-34.3	0	0	0	109.9	E99 L107	P97-E99 HydrophobicContact CB-CG 4.45Å; P97-E99 WeakPolarHBondContact CB-OE1 3.35Å; P97-E99 HydrophobicContact CG-CG 4.45Å; P97-E99 PolarHBondContact O-N 2.88Å; P97-L107 HydrophobicContact CG-CD1 4.21Å; P97-L107 HydrophobicContact CG-CD2 4.37Å; P97-L107 WeakPolarHBondContact O-CD1 3.27Å
98	I	84.9	Confident	89.8	Confident	91 Å²	91	48.2 Å²	48.2	47%	0.467	29%	0.292	S	S	.	.			trans	-90.9	97.8	175.9	-57.3	177.6	0	0	0	106.7	I217 A218 T219	I98-I217 HydrophobicContact CD1-CG2 4.39Å; I98-I217 HydrophobicContact CG2-CG2 4.21Å; I98-A218 VanDerWaalsContact CG2-C 3.49Å; I98-T219 HydrophobicContact CG2-CG2 3.91Å; I98-T219 WeakPolarHBondContact O-CG2 3.25Å
99	E	91.4	Very high	89.9	Confident	83 Å²	83	50.9 Å²	50.9	39%	0.388	28%	0.277	S	S	.	.			trans	-95.4	-177.5	175.5	-56.6	-59.4	165.4	0	0	110.9	P97 D103 L107 A218 T219	P97-E99 HydrophobicContact CB-CG 4.45Å; P97-E99 WeakPolarHBondContact CB-OE1 3.35Å; P97-E99 HydrophobicContact CG-CG 4.45Å; P97-E99 PolarHBondContact O-N 2.88Å; E99-D103 HydrophobicContact CB-CB 3.76Å; E99-D103 HydrophobicContact CG-CB 4.35Å; E99-L107 HydrophobicContact CB-CD1 4.41Å; E99-L107 HydrophobicContact CG-CD1 3.98Å; E99-A218 CarbonylContact O-C 3.58Å; E99-A218 WeakPolarHBondContact O-CA 3.37Å; E99-A218 WeakPolarHBondContact O-CB 3.36Å; E99-T219 PolarHBondContact O-N 3.24Å; E99-T219 PolarHBondContact O-OG1 3.44Å
100	N	95.2	Very high	90.1	Very high	29 Å²	29	45.5 Å²	45.5	16%	0.155	25%	0.25	C	S	.	.			trans	-65.8	170	169.4	66	65.5	0	0	0	111.5	Y102 D103 T104 T219 N220	N100-Y102 VanDerWaalsContact C-N 3.33Å; N100-Y102 PolarHBondContact O-N 2.85Å; N100-Y102 WeakPolarHBondContact OD1-CA 3.48Å; N100-Y102 VanDerWaalsContact OD1-CB 3.32Å; N100-Y102 WeakPolarHBondContact OD1-CB 3.48Å; N100-Y102 PolarHBondContact OD1-N 3.2Å; N100-D103 PolarHBondContact ND2-OD2 2.88Å; N100-D103 PolarHBondContact O-N 2.94Å; N100-D103 PolarHBondContact OD1-N 3.41Å; N100-T104 VanDerWaalsContact O-CB 3.3Å; N100-T104 WeakPolarHBondContact O-CB 3.09Å; N100-T104 PolarHBondContact O-N 3.24Å; N100-T104 PolarHBondContact O-OG1 3.09Å; N100-T219 WeakPolarHBondContact CA-OG1 3.32Å; N100-N220 WeakPolarHBondContact CA-OD1 3.41Å
101	V	96.5	Very high	90.3	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-61.1	-37.8	-177.3	166.1	0	0	0	0	112.6	T104 L105 I126 F132 V134 A218 N220 V223	V101-T104 PolarHBondContact O-N 2.97Å; V101-L105 WeakPolarHBondContact O-CG 3.41Å; V101-L105 PolarHBondContact O-N 2.96Å; V101-I126 HydrophobicContact CB-CB 4.2Å; V101-I126 HydrophobicContact CG1-CB 3.98Å; V101-I126 HydrophobicContact CG1-CD1 4.26Å; V101-I126 HydrophobicContact CG1-CG2 4.26Å; V101-F132 HydrophobicContact CG2-CB 4.4Å; V101-V134 HydrophobicContact CG1-CB 4.17Å; V101-V134 HydrophobicContact CG1-CG2 3.46Å; V101-V134 VanDerWaalsContact CG1-CG2 3.46Å; V101-A218 HydrophobicContact CB-CB 4.32Å; V101-A218 HydrophobicContact CG2-CB 3.52Å; V101-N220 WeakPolarHBondContact CG2-OD1 3.32Å; V101-N220 PolarHBondContact N-OD1 3.11Å; V101-V223 HydrophobicContact CG1-CG2 4.11Å
102	Y	97.1	Very high	90.6	Very high	19 Å²	19	44.7 Å²	44.7	8%	0.075	25%	0.246	C	C	.	.	H	α-helix	trans	-63.2	-51.8	177.4	171.8	-95.3	0	0	0	112.3	N100 T104 L105 Q114 D118 R123 I126 E127	N100-Y102 VanDerWaalsContact C-N 3.33Å; N100-Y102 PolarHBondContact O-N 2.85Å; N100-Y102 WeakPolarHBondContact OD1-CA 3.48Å; N100-Y102 VanDerWaalsContact OD1-CB 3.32Å; N100-Y102 WeakPolarHBondContact OD1-CB 3.48Å; N100-Y102 PolarHBondContact OD1-N 3.2Å; Y102-T104 VanDerWaalsContact C-N 3.27Å; Y102-T104 PolarHBondContact O-N 2.84Å; Y102-L105 VanDerWaalsContact O-CB 3.23Å; Y102-L105 WeakPolarHBondContact O-CB 3.38Å; Y102-L105 PolarHBondContact O-N 3.12Å; Y102-L105 VanDerWaalsContact O-N 3.08Å; Y102-Q114 HydrophobicContact CD2-CG 3.99Å; Y102-Q114 HydrophobicContact CE1-CG 4.1Å; Y102-Q114 HydrophobicContact CE2-CG 3.49Å; Y102-Q114 VanDerWaalsContact CE2-CG 3.49Å; Y102-Q114 WeakPolarHBondContact CE2-O 3.5Å; Y102-Q114 HydrophobicContact CG-CG 4.5Å; Y102-Q114 PolarHBondContact O-NE2 3.19Å; Y102-D118 HydrophobicContact CE2-CB 4.04Å; Y102-R123 HydrophobicContact CD1-CG 4.43Å; Y102-R123 HydrophobicContact CD2-CB 4.02Å; Y102-R123 HydrophobicContact CD2-CG 3.75Å; Y102-R123 VanDerWaalsContact CE1-CZ 3.5Å; Y102-R123 HydrophobicContact CE2-CB 4.16Å; Y102-R123 HydrophobicContact CE2-CG 3.89Å; Y102-R123 HydrophobicContact CG-CG 4.04Å; Y102-R123 PolarHBondContact OH-NH1 3.44Å; Y102-I126 HydrophobicContact CD2-CD1 4.29Å; Y102-E127 HydrophobicContact CD1-CG 4.48Å; Y102-E127 HydrophobicContact CG-CG 4.34Å
103	D	95.2	Very high	90.9	Very high	59 Å²	59	44.8 Å²	44.8	32%	0.316	25%	0.246	S	C	.	.	H	α-helix	trans	-68.8	-28.6	179.5	-70.8	-47.8	0	0	0	112.1	E99 N100 L105 G106 L107	E99-D103 HydrophobicContact CB-CB 3.76Å; E99-D103 HydrophobicContact CG-CB 4.35Å; N100-D103 PolarHBondContact ND2-OD2 2.88Å; N100-D103 PolarHBondContact O-N 2.94Å; N100-D103 PolarHBondContact OD1-N 3.41Å; D103-L105 PolarHBondContact O-N 2.82Å; D103-G106 PolarHBondContact O-N 3Å; D103-G106 VanDerWaalsContact O-N 3.1Å; D103-L107 PolarHBondContact O-N 3.05Å
104	T	94.2	Very high	91.2	Very high	4 Å²	4	44 Å²	44	3%	0.025	24%	0.239	C	C	.	.	H	α-helix	trans	-61.3	-29.7	171.2	-58.8	0	0	0	0	112.2	N100 V101 Y102 G106 L107 V108 Q216 V223	N100-T104 VanDerWaalsContact O-CB 3.3Å; N100-T104 WeakPolarHBondContact O-CB 3.09Å; N100-T104 PolarHBondContact O-N 3.24Å; N100-T104 PolarHBondContact O-OG1 3.09Å; V101-T104 PolarHBondContact O-N 2.97Å; Y102-T104 VanDerWaalsContact C-N 3.27Å; Y102-T104 PolarHBondContact O-N 2.84Å; T104-G106 VanDerWaalsContact C-N 3.28Å; T104-G106 PolarHBondContact O-N 3.25Å; T104-L107 PolarHBondContact O-N 3.15Å; T104-V108 HydrophobicContact CG2-CG1 4.22Å; T104-V108 WeakPolarHBondContact O-CG1 3.39Å; T104-V108 WeakPolarHBondContact O-CG2 3.38Å; T104-V108 PolarHBondContact O-N 3.26Å; T104-Q216 HydrophobicContact CG2-CB 4.33Å; T104-V223 HydrophobicContact CG2-CB 4.04Å; T104-V223 HydrophobicContact CG2-CG2 3.69Å
105	L	95.3	Very high	91.9	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.9	-40.8	173.3	-60.4	172.1	0	0	0	111.5	V101 Y102 D103 V108 K109 A110 T113 Q114 I126 V134 A136 V223	V101-L105 WeakPolarHBondContact O-CG 3.41Å; V101-L105 PolarHBondContact O-N 2.96Å; Y102-L105 VanDerWaalsContact O-CB 3.23Å; Y102-L105 WeakPolarHBondContact O-CB 3.38Å; Y102-L105 PolarHBondContact O-N 3.12Å; Y102-L105 VanDerWaalsContact O-N 3.08Å; D103-L105 PolarHBondContact O-N 2.82Å; L105-V108 WeakPolarHBondContact O-CG2 3.28Å; L105-V108 PolarHBondContact O-N 2.87Å; L105-K109 PolarHBondContact O-N 2.71Å; L105-A110 HydrophobicContact CB-CB 4.47Å; L105-A110 HydrophobicContact CD2-CB 4.45Å; L105-A110 PolarHBondContact O-N 3.28Å; L105-T113 HydrophobicContact CD1-CG2 4.37Å; L105-T113 HydrophobicContact CD2-CG2 4.3Å; L105-Q114 HydrophobicContact CB-CB 3.74Å; L105-Q114 HydrophobicContact CB-CG 4.03Å; L105-Q114 HydrophobicContact CD1-CB 4.16Å; L105-Q114 HydrophobicContact CD1-CG 4.4Å; L105-I126 HydrophobicContact CD1-CD1 4.18Å; L105-V134 HydrophobicContact CD2-CG1 4.18Å; L105-A136 HydrophobicContact CD2-CB 3.53Å; L105-V223 HydrophobicContact CD2-CG1 4Å; L105-V223 HydrophobicContact CD2-CG2 4.24Å
106	G	92.2	Very high	92.7	Very high	25 Å²	25	44.2 Å²	44.2	26%	0.258	23%	0.225	S	C	.	.	H	α-helix	trans	-66.9	-44.9	174.9	0	0	0	0	0	112.4	D103 T104 V108 K109	D103-G106 PolarHBondContact O-N 3Å; D103-G106 VanDerWaalsContact O-N 3.1Å; T104-G106 VanDerWaalsContact C-N 3.28Å; T104-G106 PolarHBondContact O-N 3.25Å; G106-V108 PolarHBondContact O-N 3.04Å; G106-K109 PolarHBondContact O-N 3.02Å
107	L	89.1	Confident	93.8	Very high	84 Å²	84	43 Å²	43	44%	0.44	21%	0.214	S	C	.	.	H	α-helix	trans	-58.9	-33	177.1	-65.1	176.9	0	0	0	113	P97 E99 D103 T104	P97-L107 HydrophobicContact CG-CD1 4.21Å; P97-L107 HydrophobicContact CG-CD2 4.37Å; P97-L107 WeakPolarHBondContact O-CD1 3.27Å; E99-L107 HydrophobicContact CB-CD1 4.41Å; E99-L107 HydrophobicContact CG-CD1 3.98Å; D103-L107 PolarHBondContact O-N 3.05Å; T104-L107 PolarHBondContact O-N 3.15Å
108	V	89	Confident	94.6	Very high	16 Å²	16	43.9 Å²	43.9	10%	0.097	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.2	4.1	177.6	-50.9	0	0	0	0	113.9	T104 L105 G106 A110 Q216 V223 V225	T104-V108 HydrophobicContact CG2-CG1 4.22Å; T104-V108 WeakPolarHBondContact O-CG1 3.39Å; T104-V108 WeakPolarHBondContact O-CG2 3.38Å; T104-V108 PolarHBondContact O-N 3.26Å; L105-V108 WeakPolarHBondContact O-CG2 3.28Å; L105-V108 PolarHBondContact O-N 2.87Å; G106-V108 PolarHBondContact O-N 3.04Å; V108-A110 VanDerWaalsContact C-N 3.31Å; V108-A110 HydrophobicContact CG2-CB 3.99Å; V108-A110 PolarHBondContact O-N 2.84Å; V108-Q216 HydrophobicContact CG1-CB 3.66Å; V108-Q216 HydrophobicContact CG1-CG 3.5Å; V108-V223 HydrophobicContact CG2-CG1 3.99Å; V108-V225 HydrophobicContact CB-CG2 3.75Å; V108-V225 HydrophobicContact CG2-CG2 3.46Å; V108-V225 VanDerWaalsContact CG2-CG2 3.46Å
109	K	91.2	Very high	95.1	Very high	149 Å²	149	43.7 Å²	43.7	65%	0.648	21%	0.214	S	C	*	.	T	Hydrogen-bonded Turn	trans	62.7	27.2	-178.3	-52.6	-171.8	175.4	-164.8	0	115.6	L105 G106 E111 N139	L105-K109 PolarHBondContact O-N 2.71Å; G106-K109 PolarHBondContact O-N 3.02Å; K109-E111 PolarHBondContact O-N 2.8Å; K109-E111 VanDerWaalsContact O-N 3.12Å; K109-N139 PolarHBondContact O-OD1 2.82Å
110	A	95.2	Very high	95.2	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.199	C	C	.	.			trans	-84.1	47.9	167.3	0	0	0	0	0	110.5	L105 V108 T112 T113 Q114 A136	L105-A110 HydrophobicContact CB-CB 4.47Å; L105-A110 HydrophobicContact CD2-CB 4.45Å; L105-A110 PolarHBondContact O-N 3.28Å; V108-A110 VanDerWaalsContact C-N 3.31Å; V108-A110 HydrophobicContact CG2-CB 3.99Å; V108-A110 PolarHBondContact O-N 2.84Å; A110-T112 VanDerWaalsContact C-N 3.3Å; A110-T112 PolarHBondContact O-N 3.45Å; A110-T113 CarbonylContact O-C 3.43Å; A110-T113 WeakPolarHBondContact O-CA 3.3Å; A110-T113 WeakPolarHBondContact O-CB 3.48Å; A110-T113 PolarHBondContact O-N 3.4Å; A110-Q114 PolarHBondContact O-N 3.34Å; A110-A136 HydrophobicContact CB-CB 3.95Å
111	E	97	Very high	95	Very high	109 Å²	109	44.3 Å²	44.3	51%	0.509	22%	0.216	S	C	.	.	H	α-helix	trans	-58.3	-38.5	-170.2	-64.2	167.4	-161	0	0	112.4	K109 Q114 R115 N139	K109-E111 PolarHBondContact O-N 2.8Å; K109-E111 VanDerWaalsContact O-N 3.12Å; E111-Q114 WeakPolarHBondContact O-CB 3.32Å; E111-Q114 PolarHBondContact O-N 3.34Å; E111-R115 WeakPolarHBondContact O-CB 3.27Å; E111-R115 PolarHBondContact O-N 3.21Å; E111-N139 PolarHBondContact N-OD1 3.25Å; E111-N139 VanDerWaalsContact N-OD1 3.13Å
112	T	97.7	Very high	94.9	Very high	17 Å²	17	44.4 Å²	44.4	10%	0.104	22%	0.216	C	C	.	.	H	α-helix	trans	-65.6	-40.7	175.5	-62.6	0	0	0	0	111.5	A110 R115 Y116 N139 W142	A110-T112 VanDerWaalsContact C-N 3.3Å; A110-T112 PolarHBondContact O-N 3.45Å; T112-R115 PolarHBondContact O-N 3.48Å; T112-Y116 HydrophobicContact CG2-CD2 3.9Å; T112-Y116 HydrophobicContact CG2-CE2 3.28Å; T112-Y116 WeakPolarHBondContact O-CD2 3.39Å; T112-Y116 VanDerWaalsContact O-CG 3.3Å; T112-Y116 PolarHBondContact O-N 3.12Å; T112-N139 WeakPolarHBondContact CB-OD1 3.36Å; T112-N139 PolarHBondContact N-OD1 3.36Å; T112-N139 PolarHBondContact OG1-OD1 3.21Å; T112-W142 HydrophobicContact CG2-CB 3.72Å; T112-W142 VanDerWaalsContact CG2-CD1 3.5Å; T112-W142 HydrophobicContact CG2-CD2 4.28Å; T112-W142 HydrophobicContact CG2-CG 3.56Å
113	T	98.1	Very high	94.8	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	23%	0.226	C	C	.	.	H	α-helix	trans	-68	-36.2	174.7	-57	0	0	0	0	111.6	L105 A110 Y116 S117 A136 P137 W142 L165	L105-T113 HydrophobicContact CD1-CG2 4.37Å; L105-T113 HydrophobicContact CD2-CG2 4.3Å; A110-T113 CarbonylContact O-C 3.43Å; A110-T113 WeakPolarHBondContact O-CA 3.3Å; A110-T113 WeakPolarHBondContact O-CB 3.48Å; A110-T113 PolarHBondContact O-N 3.4Å; T113-Y116 PolarHBondContact O-N 3.4Å; T113-S117 WeakPolarHBondContact O-CB 3.31Å; T113-S117 PolarHBondContact O-N 3.44Å; T113-S117 PolarHBondContact O-OG 2.89Å; T113-A136 HydrophobicContact CG2-CB 3.98Å; T113-P137 WeakPolarHBondContact OG1-CD 3.42Å; T113-P137 PolarHBondContact OG1-O 2.8Å; T113-W142 PolarHBondContact OG1-NE1 2.93Å; T113-L165 HydrophobicContact CG2-CD2 4.19Å
114	Q	98.1	Very high	94.7	Very high	33 Å²	33	51.9 Å²	51.9	15%	0.154	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-51.6	173	-165	178	18.2	0	0	110.5	Y102 L105 A110 E111 Y116 S117 D118	Y102-Q114 HydrophobicContact CD2-CG 3.99Å; Y102-Q114 HydrophobicContact CE1-CG 4.1Å; Y102-Q114 HydrophobicContact CE2-CG 3.49Å; Y102-Q114 VanDerWaalsContact CE2-CG 3.49Å; Y102-Q114 WeakPolarHBondContact CE2-O 3.5Å; Y102-Q114 HydrophobicContact CG-CG 4.5Å; Y102-Q114 PolarHBondContact O-NE2 3.19Å; L105-Q114 HydrophobicContact CB-CB 3.74Å; L105-Q114 HydrophobicContact CB-CG 4.03Å; L105-Q114 HydrophobicContact CD1-CB 4.16Å; L105-Q114 HydrophobicContact CD1-CG 4.4Å; A110-Q114 PolarHBondContact O-N 3.34Å; E111-Q114 WeakPolarHBondContact O-CB 3.32Å; E111-Q114 PolarHBondContact O-N 3.34Å; Q114-Y116 VanDerWaalsContact C-N 3.33Å; Q114-Y116 PolarHBondContact O-N 2.93Å; Q114-S117 WeakPolarHBondContact O-CA 3.49Å; Q114-S117 WeakPolarHBondContact O-CB 3.35Å; Q114-S117 PolarHBondContact O-N 3.33Å; Q114-D118 PolarHBondContact O-N 3.19Å
115	R	97.8	Very high	94.7	Very high	119 Å²	119	54.7 Å²	54.7	45%	0.449	26%	0.259	S	S	.	.	H	α-helix	trans	-57.7	-41.9	176.9	-172.1	-173.6	68.8	-177.1	4.3	112.5	E111 T112 S117 D118 M119	E111-R115 WeakPolarHBondContact O-CB 3.27Å; E111-R115 PolarHBondContact O-N 3.21Å; T112-R115 PolarHBondContact O-N 3.48Å; R115-S117 VanDerWaalsContact C-N 3.33Å; R115-D118 PolarHBondContact O-N 3.39Å; R115-M119 HydrophobicContact CG-CG 4.42Å; R115-M119 HydrophobicContact CG-SD 3.87Å; R115-M119 WeakPolarHBondContact O-CB 3.49Å; R115-M119 VanDerWaalsContact O-CG 3.29Å; R115-M119 WeakPolarHBondContact O-CG 3.37Å; R115-M119 PolarHBondContact O-N 3.49Å
116	Y	98	Very high	94.7	Very high	2 Å²	2	54.7 Å²	54.7	1%	0.008	26%	0.259	C	S	.	.	H	α-helix	trans	-70.8	-27.9	175.7	-66.7	-27.1	0	0	0	113.5	T112 T113 Q114 D118 M119 S120 W142 R150 E154 L161 L165	T112-Y116 HydrophobicContact CG2-CD2 3.9Å; T112-Y116 HydrophobicContact CG2-CE2 3.28Å; T112-Y116 WeakPolarHBondContact O-CD2 3.39Å; T112-Y116 VanDerWaalsContact O-CG 3.3Å; T112-Y116 PolarHBondContact O-N 3.12Å; T113-Y116 PolarHBondContact O-N 3.4Å; Q114-Y116 VanDerWaalsContact C-N 3.33Å; Q114-Y116 PolarHBondContact O-N 2.93Å; Y116-D118 VanDerWaalsContact C-N 3.31Å; Y116-M119 HydrophobicContact CD1-SD 4.17Å; Y116-S120 VanDerWaalsContact O-CB 3.27Å; Y116-S120 WeakPolarHBondContact O-CB 3.26Å; Y116-S120 PolarHBondContact O-N 3.06Å; Y116-S120 PolarHBondContact O-OG 3.47Å; Y116-W142 AromaticContact CD2-CD2 3.95Å; Y116-W142 HydrophobicContact CD2-CD2 3.95Å; Y116-W142 AromaticContact CD2-CE2 3.73Å; Y116-W142 HydrophobicContact CD2-CE3 4.15Å; Y116-W142 HydrophobicContact CD2-CH2 4Å; Y116-W142 AromaticContact CD2-CZ2 3.78Å; Y116-W142 HydrophobicContact CD2-CZ2 3.78Å; Y116-W142 HydrophobicContact CD2-CZ3 4.18Å; Y116-W142 AromaticContact CE2-CD2 3.58Å; Y116-W142 HydrophobicContact CE2-CD2 3.58Å; Y116-W142 AromaticContact CE2-CE2 3.87Å; Y116-W142 AromaticContact CE2-CE3 3.64Å; Y116-W142 HydrophobicContact CE2-CE3 3.64Å; Y116-W142 HydrophobicContact CE2-CG 4.05Å; Y116-W142 HydrophobicContact CE2-CH2 4.29Å; Y116-W142 HydrophobicContact CE2-CZ2 4.24Å; Y116-W142 HydrophobicContact CE2-CZ3 4Å; Y116-R150 PolarHBondContact OH-NE 3.28Å; Y116-R150 PolarHBondContact OH-NH2 3.1Å; Y116-E154 HydrophobicContact CE1-CG 4.15Å; Y116-E154 PolarHBondContact OH-OE1 2.92Å; Y116-L161 HydrophobicContact CD1-CD1 4.44Å; Y116-L161 HydrophobicContact CD1-CD2 3.96Å; Y116-L161 HydrophobicContact CD2-CD1 4.1Å; Y116-L161 HydrophobicContact CG-CD1 3.93Å; Y116-L161 HydrophobicContact CG-CD2 4.03Å; Y116-L161 HydrophobicContact CG-CG 4.48Å; Y116-L165 WeakPolarHBondContact O-CD1 3.39Å
117	S	97.2	Very high	94.9	Very high	1 Å²	1	56.9 Å²	56.9	1%	0.007	26%	0.263	C	S	.	.	H	α-helix	trans	-67.6	-33.2	170.5	-55.8	0	0	0	0	112.1	T113 Q114 R115 S120 R123	T113-S117 WeakPolarHBondContact O-CB 3.31Å; T113-S117 PolarHBondContact O-N 3.44Å; T113-S117 PolarHBondContact O-OG 2.89Å; Q114-S117 WeakPolarHBondContact O-CA 3.49Å; Q114-S117 WeakPolarHBondContact O-CB 3.35Å; Q114-S117 PolarHBondContact O-N 3.33Å; R115-S117 VanDerWaalsContact C-N 3.33Å; S117-S120 VanDerWaalsContact O-O 3.13Å; S117-S120 PolarHBondContact O-OG 2.96Å; S117-R123 WeakPolarHBondContact O-CB 3.49Å; S117-R123 PolarHBondContact O-N 2.72Å
118	D	95.8	Very high	95	Very high	80 Å²	80	55.1 Å²	55.1	43%	0.428	26%	0.258	S	S	.	.	H	α-helix	trans	-78.8	-38	176.8	-169.4	66.3	0	0	0	113.3	Y102 Q114 R115 Y116 S120 R123	Y102-D118 HydrophobicContact CE2-CB 4.04Å; Q114-D118 PolarHBondContact O-N 3.19Å; R115-D118 PolarHBondContact O-N 3.39Å; Y116-D118 VanDerWaalsContact C-N 3.31Å; D118-S120 VanDerWaalsContact C-N 3.34Å; D118-R123 WeakPolarHBondContact OD1-CD 3.43Å; D118-R123 IonicContact OD1-CZ 3.87Å; D118-R123 IonicContact OD1-NE 3.22Å; D118-R123 IonicContact OD1-NH1 2.8Å; D118-R123 PolarHBondContact OD1-NH1 3.43Å
119	M	95.1	Very high	94.9	Very high	88 Å²	88	61.5 Å²	61.5	43%	0.433	30%	0.297	S	S	.	.	H	α-helix	trans	-73.6	-24.1	175.3	-70.2	172.7	64.2	0	0	113.2	R115 Y116 V157	R115-M119 HydrophobicContact CG-CG 4.42Å; R115-M119 HydrophobicContact CG-SD 3.87Å; R115-M119 WeakPolarHBondContact O-CB 3.49Å; R115-M119 VanDerWaalsContact O-CG 3.29Å; R115-M119 WeakPolarHBondContact O-CG 3.37Å; R115-M119 PolarHBondContact O-N 3.49Å; Y116-M119 HydrophobicContact CD1-SD 4.17Å; M119-V157 HydrophobicContact CB-CG1 4.41Å; M119-V157 HydrophobicContact CE-CG1 4.09Å; M119-V157 WeakPolarHBondContact O-CB 3.16Å; M119-V157 WeakPolarHBondContact O-CG2 3.48Å
120	S	93.6	Very high	94.9	Very high	11 Å²	11	56.2 Å²	56.2	8%	0.077	29%	0.285	C	S	.	.	S	Bend	trans	-98.1	-177.5	171.4	70	0	0	0	0	110.8	Y116 S117 D118 L122 V157	Y116-S120 VanDerWaalsContact O-CB 3.27Å; Y116-S120 WeakPolarHBondContact O-CB 3.26Å; Y116-S120 PolarHBondContact O-N 3.06Å; Y116-S120 PolarHBondContact O-OG 3.47Å; S117-S120 VanDerWaalsContact O-O 3.13Å; S117-S120 PolarHBondContact O-OG 2.96Å; D118-S120 VanDerWaalsContact C-N 3.34Å; S120-L122 VanDerWaalsContact C-N 3.27Å; S120-L122 PolarHBondContact O-N 3Å; S120-L122 PolarHBondContact OG-N 2.85Å; S120-V157 VanDerWaalsContact CB-O 3.26Å; S120-V157 WeakPolarHBondContact CB-O 3.37Å
121	K	91.8	Very high	94.9	Very high	114 Å²	114	59.5 Å²	59.5	50%	0.496	31%	0.305	S	S	.	.	S	Bend	trans	-80.2	-4.7	178.1	-67.7	169	-176	149.4	0	113.9	R123 N158 F162	K121-R123 PolarHBondContact O-N 2.89Å; K121-N158 WeakPolarHBondContact CE-OD1 3.14Å; K121-N158 PolarHBondContact NZ-OD1 3.23Å; K121-F162 HydrophobicContact CB-CD2 3.79Å; K121-F162 HydrophobicContact CB-CE2 3.72Å; K121-F162 HydrophobicContact CB-CZ 4.5Å
122	L	94.6	Very high	94.9	Very high	1 Å²	1	55 Å²	55	1%	0.005	28%	0.283	C	S	.	.	H	α-helix	trans	-66.2	-38.2	-169.4	-179.4	55.8	0	0	0	113	S120 Q124 E125 I126 F162 L165	S120-L122 VanDerWaalsContact C-N 3.27Å; S120-L122 PolarHBondContact O-N 3Å; S120-L122 PolarHBondContact OG-N 2.85Å; L122-Q124 VanDerWaalsContact C-N 3.27Å; L122-Q124 PolarHBondContact O-N 3.18Å; L122-Q124 VanDerWaalsContact O-N 3.15Å; L122-E125 HydrophobicContact CD1-CB 4.42Å; L122-E125 WeakPolarHBondContact O-CB 3.37Å; L122-E125 PolarHBondContact O-N 3.18Å; L122-I126 HydrophobicContact CD1-CG2 3.74Å; L122-I126 HydrophobicContact CG-CD1 4.21Å; L122-I126 HydrophobicContact CG-CG1 4.17Å; L122-I126 HydrophobicContact CG-CG2 4.11Å; L122-I126 WeakPolarHBondContact O-CG1 3.32Å; L122-I126 PolarHBondContact O-N 3.06Å; L122-I126 VanDerWaalsContact O-N 3.09Å; L122-F162 HydrophobicContact CB-CD2 4.3Å; L122-F162 HydrophobicContact CB-CE2 4.34Å; L122-L165 HydrophobicContact CD2-CB 3.5Å; L122-L165 HydrophobicContact CD2-CD1 4.25Å; L122-L165 HydrophobicContact CD2-CG 4.45Å
123	R	95.4	Very high	94.9	Very high	77 Å²	77	54.2 Å²	54.2	29%	0.291	28%	0.279	S	S	.	.	H	α-helix	trans	-47	-49.1	-177.1	172	175.1	-179	164.9	11.7	113	Y102 S117 D118 K121 E125 I126 E127	Y102-R123 HydrophobicContact CD1-CG 4.43Å; Y102-R123 HydrophobicContact CD2-CB 4.02Å; Y102-R123 HydrophobicContact CD2-CG 3.75Å; Y102-R123 VanDerWaalsContact CE1-CZ 3.5Å; Y102-R123 HydrophobicContact CE2-CB 4.16Å; Y102-R123 HydrophobicContact CE2-CG 3.89Å; Y102-R123 HydrophobicContact CG-CG 4.04Å; Y102-R123 PolarHBondContact OH-NH1 3.44Å; S117-R123 WeakPolarHBondContact O-CB 3.49Å; S117-R123 PolarHBondContact O-N 2.72Å; D118-R123 WeakPolarHBondContact OD1-CD 3.43Å; D118-R123 IonicContact OD1-CZ 3.87Å; D118-R123 IonicContact OD1-NE 3.22Å; D118-R123 IonicContact OD1-NH1 2.8Å; D118-R123 PolarHBondContact OD1-NH1 3.43Å; K121-R123 PolarHBondContact O-N 2.89Å; R123-E125 PolarHBondContact O-N 3.33Å; R123-I126 PolarHBondContact O-N 3.07Å; R123-E127 HydrophobicContact CG-CG 4.16Å; R123-E127 WeakPolarHBondContact CG-OE2 3.3Å; R123-E127 IonicContact CZ-OE1 2.77Å; R123-E127 VanDerWaalsContact CZ-OE1 3.22Å; R123-E127 VanDerWaalsContact NE-CD 3.3Å; R123-E127 IonicContact NE-OE1 3.32Å; R123-E127 PolarHBondContact NE-OE1 3.46Å; R123-E127 IonicContact NE-OE2 2.66Å; R123-E127 PolarHBondContact NE-OE2 2.86Å; R123-E127 IonicContact NH2-OE1 2.78Å; R123-E127 PolarHBondContact NH2-OE1 3.17Å; R123-E127 WeakPolarHBondContact O-CB 3.42Å; R123-E127 WeakPolarHBondContact O-CG 3.46Å; R123-E127 PolarHBondContact O-N 3.1Å
124	Q	93.3	Very high	94.9	Very high	159 Å²	159	54.3 Å²	54.3	74%	0.743	28%	0.279	S	S	*	.	H	α-helix	trans	-62	-26.8	-176.7	-62.7	-178.8	7.6	0	0	113	L122 S128	L122-Q124 VanDerWaalsContact C-N 3.27Å; L122-Q124 PolarHBondContact O-N 3.18Å; L122-Q124 VanDerWaalsContact O-N 3.15Å; Q124-S128 WeakPolarHBondContact O-CB 3.38Å
125	E	94.1	Very high	95	Very high	62 Å²	62	52.8 Å²	52.8	29%	0.29	27%	0.272	S	S	.	.	H	α-helix	trans	-84.2	-46.4	178.9	-177	172.9	-152.6	0	0	111.4	L122 R123 E127 S128 F132 H166 M188	L122-E125 HydrophobicContact CD1-CB 4.42Å; L122-E125 WeakPolarHBondContact O-CB 3.37Å; L122-E125 PolarHBondContact O-N 3.18Å; R123-E125 PolarHBondContact O-N 3.33Å; E125-E127 VanDerWaalsContact C-N 3.29Å; E125-E127 PolarHBondContact O-N 2.99Å; E125-S128 WeakPolarHBondContact O-CB 3.42Å; E125-S128 PolarHBondContact O-N 2.81Å; E125-S128 PolarHBondContact O-OG 2.89Å; E125-F132 HydrophobicContact CG-CE1 4.17Å; E125-F132 HydrophobicContact CG-CZ 4.13Å; E125-F132 VanDerWaalsContact O-CE2 3.26Å; E125-F132 WeakPolarHBondContact O-CE2 3.47Å; E125-F132 WeakPolarHBondContact O-CZ 3.42Å; E125-H166 IonicContact OE2-CD2 2.72Å; E125-H166 IonicContact OE2-CE1 3.42Å; E125-H166 PolarHBondContact OE2-CE1 2.88Å; E125-H166 IonicContact OE2-NE2 2.72Å; E125-H166 PolarHBondContact OE2-NE2 3.29Å; E125-M188 VanDerWaalsContact CD-CE 3.42Å; E125-M188 HydrophobicContact CG-CE 4.24Å; E125-M188 WeakPolarHBondContact OE1-CE 3.49Å
126	I	94.8	Very high	95	Very high	0 Å²	0	47.1 Å²	47.1	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-77.2	-9	177.4	59.1	165.4	0	0	0	114.2	V101 Y102 L105 L122 R123 F132 V134 N220	V101-I126 HydrophobicContact CB-CB 4.2Å; V101-I126 HydrophobicContact CG1-CB 3.98Å; V101-I126 HydrophobicContact CG1-CD1 4.26Å; V101-I126 HydrophobicContact CG1-CG2 4.26Å; Y102-I126 HydrophobicContact CD2-CD1 4.29Å; L105-I126 HydrophobicContact CD1-CD1 4.18Å; L122-I126 HydrophobicContact CD1-CG2 3.74Å; L122-I126 HydrophobicContact CG-CD1 4.21Å; L122-I126 HydrophobicContact CG-CG1 4.17Å; L122-I126 HydrophobicContact CG-CG2 4.11Å; L122-I126 WeakPolarHBondContact O-CG1 3.32Å; L122-I126 PolarHBondContact O-N 3.06Å; L122-I126 VanDerWaalsContact O-N 3.09Å; R123-I126 PolarHBondContact O-N 3.07Å; I126-F132 HydrophobicContact CG2-CD2 4.49Å; I126-F132 HydrophobicContact CG2-CG 4.38Å; I126-V134 HydrophobicContact CG2-CG2 4.29Å; I126-N220 PolarHBondContact O-ND2 3.18Å
127	E	95.4	Very high	95	Very high	71 Å²	71	47 Å²	47	33%	0.332	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.5	-16.6	161.4	-73.6	178.1	153.4	0	0	112.9	Y102 R123 E125	Y102-E127 HydrophobicContact CD1-CG 4.48Å; Y102-E127 HydrophobicContact CG-CG 4.34Å; R123-E127 HydrophobicContact CG-CG 4.16Å; R123-E127 WeakPolarHBondContact CG-OE2 3.3Å; R123-E127 IonicContact CZ-OE1 2.77Å; R123-E127 VanDerWaalsContact CZ-OE1 3.22Å; R123-E127 VanDerWaalsContact NE-CD 3.3Å; R123-E127 IonicContact NE-OE1 3.32Å; R123-E127 PolarHBondContact NE-OE1 3.46Å; R123-E127 IonicContact NE-OE2 2.66Å; R123-E127 PolarHBondContact NE-OE2 2.86Å; R123-E127 IonicContact NH2-OE1 2.78Å; R123-E127 PolarHBondContact NH2-OE1 3.17Å; R123-E127 WeakPolarHBondContact O-CB 3.42Å; R123-E127 WeakPolarHBondContact O-CG 3.46Å; R123-E127 PolarHBondContact O-N 3.1Å; E125-E127 VanDerWaalsContact C-N 3.29Å; E125-E127 PolarHBondContact O-N 2.99Å
128	S	92.1	Very high	94.9	Very high	48 Å²	48	47.5 Å²	47.5	34%	0.336	25%	0.254	S	S	.	.	S	Bend	trans	-78.9	173.5	-171	85.8	0	0	0	0	114.9	Q124 E125 G130 N220	Q124-S128 WeakPolarHBondContact O-CB 3.38Å; E125-S128 WeakPolarHBondContact O-CB 3.42Å; E125-S128 PolarHBondContact O-N 2.81Å; E125-S128 PolarHBondContact O-OG 2.89Å; S128-G130 PolarHBondContact O-N 2.89Å; S128-N220 PolarHBondContact O-ND2 3.3Å
129	T	85.9	Confident	94.9	Very high	150 Å²	150	45.2 Å²	45.2	92%	0.92	24%	0.242	S	C	*	.	S	Bend	trans	-67.8	98.1	170.9	53	0	0	0	0	111.5
130	G	91.1	Very high	94.9	Very high	38 Å²	38	45 Å²	45	39%	0.392	24%	0.239	S	C	.	.	S	Bend	trans	-161.3	-163.3	179.9	0	0	0	0	0	112.2	S128	S128-G130 PolarHBondContact O-N 2.89Å
131	T	95.6	Very high	94.9	Very high	68 Å²	68	44.6 Å²	44.6	42%	0.417	24%	0.237	S	C	.	.			trans	-143.2	110.7	171.9	174.3	0	0	0	0	108.4	N171 H172 R173 N220	T131-N171 CarbonylContact O-C 3.43Å; T131-N171 VanDerWaalsContact O-O 3.05Å; T131-H172 WeakPolarHBondContact O-CA 3.41Å; T131-H172 PolarHBondContact O-N 3.33Å; T131-H172 VanDerWaalsContact O-N 3.09Å; T131-R173 WeakPolarHBondContact OG1-CB 3.42Å; T131-R173 PolarHBondContact OG1-N 2.91Å; T131-N220 CarbonylContact C-O 3.56Å; T131-N220 VanDerWaalsContact CA-O 3.28Å; T131-N220 WeakPolarHBondContact CA-O 3.17Å
132	F	97.4	Very high	95.2	Very high	15 Å²	15	39.2 Å²	39.2	7%	0.066	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	154.8	-170.8	-53	-79.4	0	0	0	112.5	V101 E125 I126 T169 V170 M188 N220 G221 V222	V101-F132 HydrophobicContact CG2-CB 4.4Å; E125-F132 HydrophobicContact CG-CE1 4.17Å; E125-F132 HydrophobicContact CG-CZ 4.13Å; E125-F132 VanDerWaalsContact O-CE2 3.26Å; E125-F132 WeakPolarHBondContact O-CE2 3.47Å; E125-F132 WeakPolarHBondContact O-CZ 3.42Å; I126-F132 HydrophobicContact CG2-CD2 4.49Å; I126-F132 HydrophobicContact CG2-CG 4.38Å; F132-T169 HydrophobicContact CD1-CG2 4.45Å; F132-V170 CarbonylContact C-O 2.99Å; F132-V170 WeakPolarHBondContact CA-O 3.48Å; F132-M188 HydrophobicContact CD1-CE 4.33Å; F132-M188 HydrophobicContact CD1-SD 3.93Å; F132-M188 HydrophobicContact CE1-CE 4.05Å; F132-M188 HydrophobicContact CE1-SD 4.19Å; F132-N220 WeakPolarHBondContact CD2-O 3.38Å; F132-N220 PolarHBondContact N-O 3.44Å; F132-G221 CarbonylContact O-C 3.55Å; F132-G221 WeakPolarHBondContact O-CA 3.18Å; F132-V222 PolarHBondContact O-N 3.17Å
133	T	98.3	Very high	95.2	Very high	0 Å²	0	44.3 Å²	44.3	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	121.2	159.1	-60.9	0	0	0	0	107.9	F135 T169 V170 H172 R173 L174 V222	T133-F135 HydrophobicContact CG2-CE1 4.18Å; T133-F135 HydrophobicContact CG2-CE2 4.2Å; T133-F135 HydrophobicContact CG2-CZ 3.99Å; T133-T169 CarbonylContact O-C 3.54Å; T133-T169 WeakPolarHBondContact O-CA 3.44Å; T133-V170 PolarHBondContact N-O 3.02Å; T133-V170 PolarHBondContact O-N 2.84Å; T133-H172 WeakPolarHBondContact CB-O 3.19Å; T133-H172 PolarHBondContact N-O 3.38Å; T133-H172 PolarHBondContact OG1-O 2.94Å; T133-R173 WeakPolarHBondContact OG1-CA 3.48Å; T133-L174 HydrophobicContact CG2-CB 4.28Å; T133-L174 PolarHBondContact OG1-N 3.05Å; T133-V222 WeakPolarHBondContact CA-O 3.43Å; T133-V222 HydrophobicContact CG2-CG1 3.97Å; T133-V222 WeakPolarHBondContact OG1-CG1 3.18Å
134	V	98.3	Very high	95	Very high	4 Å²	4	47.6 Å²	47.6	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	119.9	173.1	177.9	0	0	0	0	109.6	V101 L105 I126 A136 T169 V222 V223 H224	V101-V134 HydrophobicContact CG1-CB 4.17Å; V101-V134 HydrophobicContact CG1-CG2 3.46Å; V101-V134 VanDerWaalsContact CG1-CG2 3.46Å; L105-V134 HydrophobicContact CD2-CG1 4.18Å; I126-V134 HydrophobicContact CG2-CG2 4.29Å; V134-A136 VanDerWaalsContact C-N 3.3Å; V134-A136 HydrophobicContact CG1-CB 4.1Å; V134-A136 PolarHBondContact O-N 3.17Å; V134-T169 HydrophobicContact CG2-CG2 3.81Å; V134-V222 PolarHBondContact N-O 3.32Å; V134-V223 WeakPolarHBondContact O-CA 3.46Å; V134-H224 PolarHBondContact O-N 2.54Å
135	F	98.5	Very high	95.1	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	71.3	170.9	-62.1	-70.1	0	0	0	109.5	T133 P137 H168 V170 L174 M179 I194 I196 V206 H224 I226	T133-F135 HydrophobicContact CG2-CE1 4.18Å; T133-F135 HydrophobicContact CG2-CE2 4.2Å; T133-F135 HydrophobicContact CG2-CZ 3.99Å; F135-P137 VanDerWaalsContact O-CD 3.32Å; F135-P137 WeakPolarHBondContact O-CD 3.47Å; F135-H168 PolarHBondContact N-O 3.49Å; F135-H168 PolarHBondContact O-CD2 3.02Å; F135-H168 VanDerWaalsContact O-CD2 3.31Å; F135-V170 HydrophobicContact CE2-CG2 3.95Å; F135-L174 HydrophobicContact CZ-CD2 4.29Å; F135-M179 HydrophobicContact CE1-CE 3.56Å; F135-M179 HydrophobicContact CE1-SD 4.49Å; F135-M179 HydrophobicContact CZ-CE 4Å; F135-I194 HydrophobicContact CD2-CD1 4.06Å; F135-I194 HydrophobicContact CE2-CD1 3.92Å; F135-I194 HydrophobicContact CE2-CG2 4.4Å; F135-I196 HydrophobicContact CE1-CD1 4.39Å; F135-I196 HydrophobicContact CZ-CD1 3.92Å; F135-V206 HydrophobicContact CB-CG1 4.41Å; F135-V206 HydrophobicContact CD1-CB 4.37Å; F135-V206 HydrophobicContact CD1-CG1 3.98Å; F135-V206 HydrophobicContact CD1-CG2 3.62Å; F135-V206 HydrophobicContact CD2-CG1 3.99Å; F135-V206 HydrophobicContact CE1-CG1 4.13Å; F135-V206 HydrophobicContact CE1-CG2 3.58Å; F135-V206 HydrophobicContact CE2-CG1 4.15Å; F135-V206 HydrophobicContact CG-CG1 3.89Å; F135-V206 HydrophobicContact CG-CG2 4.34Å; F135-V206 HydrophobicContact CZ-CG1 4.21Å; F135-V206 HydrophobicContact CZ-CG2 4.31Å; F135-H224 CarbonylContact C-O 3.22Å; F135-H224 WeakPolarHBondContact CA-O 3.42Å; F135-H224 HydrophobicContact CD1-CB 4.19Å; F135-I226 HydrophobicContact CB-CD1 4.13Å; F135-I226 HydrophobicContact CB-CG2 4.4Å; F135-I226 WeakPolarHBondContact O-CD1 3.09Å
136	A	98.3	Very high	95.1	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.6	121	-171.4	0	0	0	0	0	112.1	L105 A110 T113 V134 V223 H224 V225 I226	L105-A136 HydrophobicContact CD2-CB 3.53Å; A110-A136 HydrophobicContact CB-CB 3.95Å; T113-A136 HydrophobicContact CG2-CB 3.98Å; V134-A136 VanDerWaalsContact C-N 3.3Å; V134-A136 HydrophobicContact CG1-CB 4.1Å; V134-A136 PolarHBondContact O-N 3.17Å; A136-V223 HydrophobicContact CB-CG1 3.9Å; A136-H224 PolarHBondContact N-O 3.42Å; A136-V225 CarbonylContact O-C 3.55Å; A136-V225 VanDerWaalsContact O-CA 3.25Å; A136-V225 WeakPolarHBondContact O-CA 3.36Å; A136-I226 PolarHBondContact O-N 3.49Å
137	P	98.3	Very high	95.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63	144.4	169.2	-19.2	32.7	0	0	0	110.6	T113 F135 A141 W142 H168 I226 V229	T113-P137 WeakPolarHBondContact OG1-CD 3.42Å; T113-P137 PolarHBondContact OG1-O 2.8Å; F135-P137 VanDerWaalsContact O-CD 3.32Å; F135-P137 WeakPolarHBondContact O-CD 3.47Å; P137-A141 HydrophobicContact CB-CB 3.76Å; P137-W142 HydrophobicContact CG-CZ2 4.12Å; P137-H168 VanDerWaalsContact CG-CD2 3.46Å; P137-H168 WeakPolarHBondContact CG-CD2 3.17Å; P137-H168 WeakPolarHBondContact CG-NE2 3.23Å; P137-I226 HydrophobicContact CB-CG1 4.5Å; P137-I226 HydrophobicContact CG-CG1 4.43Å; P137-V229 HydrophobicContact CB-CG2 3.87Å; P137-V229 HydrophobicContact CG-CB 4.4Å; P137-V229 HydrophobicContact CG-CG2 3.97Å
138	S	96.1	Very high	95.1	Very high	11 Å²	11	48.8 Å²	48.8	8%	0.077	29%	0.285	C	S	.	.	P	Polyproline II helix	trans	-68.2	169.5	171.1	88	0	0	0	0	111.5	E140 A141 W142 I226	S138-E140 VanDerWaalsContact C-N 3.29Å; S138-E140 VanDerWaalsContact CB-OE2 3.31Å; S138-E140 WeakPolarHBondContact CB-OE2 3.46Å; S138-E140 PolarHBondContact O-N 2.91Å; S138-E140 PolarHBondContact OG-N 3.49Å; S138-E140 PolarHBondContact OG-OE2 3.47Å; S138-A141 WeakPolarHBondContact O-CB 3.42Å; S138-A141 PolarHBondContact O-N 2.87Å; S138-A141 PolarHBondContact OG-N 2.84Å; S138-W142 VanDerWaalsContact O-CD1 3.31Å; S138-W142 PolarHBondContact O-N 3.12Å; S138-I226 PolarHBondContact N-O 2.9Å
139	N	95.9	Very high	95.2	Very high	33 Å²	33	47.8 Å²	47.8	18%	0.176	28%	0.28	C	S	.	.	H	α-helix	trans	-60.3	-42.3	174.6	-67.8	-8.7	0	0	0	111	K109 E111 T112 A141 W142 D143	K109-N139 PolarHBondContact O-OD1 2.82Å; E111-N139 PolarHBondContact N-OD1 3.25Å; E111-N139 VanDerWaalsContact N-OD1 3.13Å; T112-N139 WeakPolarHBondContact CB-OD1 3.36Å; T112-N139 PolarHBondContact N-OD1 3.36Å; T112-N139 PolarHBondContact OG1-OD1 3.21Å; N139-A141 VanDerWaalsContact C-N 3.31Å; N139-A141 PolarHBondContact O-N 3.14Å; N139-W142 PolarHBondContact O-N 3.09Å; N139-D143 PolarHBondContact O-N 2.81Å; N139-D143 VanDerWaalsContact O-N 3.08Å
140	E	93.5	Very high	95.6	Very high	82 Å²	82	42.9 Å²	42.9	38%	0.383	24%	0.244	S	C	.	.	H	α-helix	trans	-61.3	-37.9	175.2	-56.4	81.8	178	0	0	112.4	K53 S138 W142 D143 E144	K53-E140 HydrophobicContact CD-CG 4.31Å; S138-E140 VanDerWaalsContact C-N 3.29Å; S138-E140 VanDerWaalsContact CB-OE2 3.31Å; S138-E140 WeakPolarHBondContact CB-OE2 3.46Å; S138-E140 PolarHBondContact O-N 2.91Å; S138-E140 PolarHBondContact OG-N 3.49Å; S138-E140 PolarHBondContact OG-OE2 3.47Å; E140-W142 PolarHBondContact O-N 3.29Å; E140-D143 CarbonylContact O-C 3.5Å; E140-D143 PolarHBondContact O-N 3.05Å; E140-D143 VanDerWaalsContact O-N 3.09Å; E140-E144 WeakPolarHBondContact O-CB 3.33Å; E140-E144 WeakPolarHBondContact O-CG 3.13Å; E140-E144 PolarHBondContact O-N 3.32Å
141	A	95.1	Very high	95.8	Very high	4 Å²	4	42.9 Å²	42.9	3%	0.033	24%	0.241	C	C	.	.	H	α-helix	trans	-62.3	-30.5	177.5	0	0	0	0	0	113.1	P137 S138 N139 V229	P137-A141 HydrophobicContact CB-CB 3.76Å; S138-A141 WeakPolarHBondContact O-CB 3.42Å; S138-A141 PolarHBondContact O-N 2.87Å; S138-A141 PolarHBondContact OG-N 2.84Å; N139-A141 VanDerWaalsContact C-N 3.31Å; N139-A141 PolarHBondContact O-N 3.14Å; A141-V229 WeakPolarHBondContact O-CG2 3.13Å
142	W	96.6	Very high	95.7	Very high	1 Å²	1	42.3 Å²	42.3	0%	0.004	24%	0.243	C	C	.	.	H	α-helix	trans	-80.7	-30.8	172.1	-73.4	108.3	0	0	0	113	T112 T113 Y116 P137 S138 N139 E140 L145 R150 L153 L161 L165 V229	T112-W142 HydrophobicContact CG2-CB 3.72Å; T112-W142 VanDerWaalsContact CG2-CD1 3.5Å; T112-W142 HydrophobicContact CG2-CD2 4.28Å; T112-W142 HydrophobicContact CG2-CG 3.56Å; T113-W142 PolarHBondContact OG1-NE1 2.93Å; Y116-W142 AromaticContact CD2-CD2 3.95Å; Y116-W142 HydrophobicContact CD2-CD2 3.95Å; Y116-W142 AromaticContact CD2-CE2 3.73Å; Y116-W142 HydrophobicContact CD2-CE3 4.15Å; Y116-W142 HydrophobicContact CD2-CH2 4Å; Y116-W142 AromaticContact CD2-CZ2 3.78Å; Y116-W142 HydrophobicContact CD2-CZ2 3.78Å; Y116-W142 HydrophobicContact CD2-CZ3 4.18Å; Y116-W142 AromaticContact CE2-CD2 3.58Å; Y116-W142 HydrophobicContact CE2-CD2 3.58Å; Y116-W142 AromaticContact CE2-CE2 3.87Å; Y116-W142 AromaticContact CE2-CE3 3.64Å; Y116-W142 HydrophobicContact CE2-CE3 3.64Å; Y116-W142 HydrophobicContact CE2-CG 4.05Å; Y116-W142 HydrophobicContact CE2-CH2 4.29Å; Y116-W142 HydrophobicContact CE2-CZ2 4.24Å; Y116-W142 HydrophobicContact CE2-CZ3 4Å; P137-W142 HydrophobicContact CG-CZ2 4.12Å; S138-W142 VanDerWaalsContact O-CD1 3.31Å; S138-W142 PolarHBondContact O-N 3.12Å; N139-W142 PolarHBondContact O-N 3.09Å; E140-W142 PolarHBondContact O-N 3.29Å; W142-L145 HydrophobicContact CE3-CD2 3.79Å; W142-L145 HydrophobicContact CZ3-CD2 3.83Å; W142-L145 WeakPolarHBondContact O-CB 3.44Å; W142-L145 PolarHBondContact O-N 2.74Å; W142-R150 PolarHBondContact O-NH1 2.91Å; W142-L153 HydrophobicContact CH2-CD1 4.43Å; W142-L153 HydrophobicContact CZ3-CD1 3.87Å; W142-L161 HydrophobicContact CH2-CD1 4.37Å; W142-L165 HydrophobicContact CZ2-CD2 4.04Å; W142-V229 HydrophobicContact CD2-CG2 3.55Å; W142-V229 HydrophobicContact CE3-CG2 3.53Å; W142-V229 HydrophobicContact CG-CG2 4.12Å; W142-V229 HydrophobicContact CH2-CG1 3.9Å; W142-V229 HydrophobicContact CH2-CG2 4.1Å; W142-V229 HydrophobicContact CZ2-CG1 4.43Å; W142-V229 HydrophobicContact CZ2-CG2 4.11Å; W142-V229 HydrophobicContact CZ3-CG1 3.96Å; W142-V229 HydrophobicContact CZ3-CG2 3.82Å
143	D	94.9	Very high	95.6	Very high	107 Å²	107	42.9 Å²	42.9	57%	0.572	25%	0.246	S	C	*	.	H	α-helix	trans	-77.5	-25.8	177.3	-64.3	-20	0	0	0	112.6	N139 E140 R150	N139-D143 PolarHBondContact O-N 2.81Å; N139-D143 VanDerWaalsContact O-N 3.08Å; E140-D143 CarbonylContact O-C 3.5Å; E140-D143 PolarHBondContact O-N 3.05Å; E140-D143 VanDerWaalsContact O-N 3.09Å; D143-R150 IonicContact OD1-CZ 3.64Å; D143-R150 IonicContact OD1-NH1 3.79Å; D143-R150 PolarHBondContact OD1-NH1 3.01Å; D143-R150 IonicContact OD1-NH2 3.75Å
144	E	91.9	Very high	95.4	Very high	146 Å²	146	46.4 Å²	46.4	68%	0.682	26%	0.263	S	S	*	.	S	Bend	trans	-84.8	-6.4	170.8	-68.7	179.5	-160.8	0	0	113	E140	E140-E144 WeakPolarHBondContact O-CB 3.33Å; E140-E144 WeakPolarHBondContact O-CG 3.13Å; E140-E144 PolarHBondContact O-N 3.32Å
145	L	94.4	Very high	95.2	Very high	19 Å²	19	53 Å²	53	10%	0.099	30%	0.298	C	S	.	.	S	Bend	trans	-69	134.7	173	-177.2	63.6	0	0	0	110.4	W142 R150 L153 V229	W142-L145 HydrophobicContact CE3-CD2 3.79Å; W142-L145 HydrophobicContact CZ3-CD2 3.83Å; W142-L145 WeakPolarHBondContact O-CB 3.44Å; W142-L145 PolarHBondContact O-N 2.74Å; L145-R150 HydrophobicContact CD2-CB 3.95Å; L145-R150 HydrophobicContact CD2-CG 4.44Å; L145-R150 HydrophobicContact CG-CB 4.26Å; L145-L153 HydrophobicContact CD2-CD1 4.05Å; L145-V229 HydrophobicContact CD1-CB 4.46Å; L145-V229 HydrophobicContact CD2-CG2 4.38Å
146	N	94.1	Very high	95	Very high	88 Å²	88	55.7 Å²	55.7	47%	0.471	31%	0.312	S	S	.	.			trans	-46.8	126.2	176.3	171.7	-86	0	0	0	111.7	T148 A149 R150	N146-T148 VanDerWaalsContact C-N 3.33Å; N146-T148 PolarHBondContact O-N 3.05Å; N146-T148 WeakPolarHBondContact OD1-CB 3.32Å; N146-T148 PolarHBondContact OD1-N 3.39Å; N146-T148 VanDerWaalsContact OD1-N 3.14Å; N146-A149 HydrophobicContact CB-CB 4.15Å; N146-A149 PolarHBondContact O-N 3.15Å; N146-A149 PolarHBondContact OD1-N 3.36Å; N146-R150 PolarHBondContact O-N 2.99Å
147	P	95	Very high	94.8	Very high	99 Å²	99	57 Å²	57	64%	0.643	32%	0.321	S	S	*	.	H	α-helix	trans	-57	-38.9	-172.1	-30.3	36.3	0	0	0	114.9	R150 A151	P147-R150 PolarHBondContact O-N 3.48Å; P147-A151 WeakPolarHBondContact O-CB 3.44Å; P147-A151 PolarHBondContact O-N 3.25Å
148	T	95.1	Very high	94.5	Very high	111 Å²	111	61 Å²	61	68%	0.681	34%	0.342	S	S	*	.	H	α-helix	trans	-66.7	-41.1	177.7	-44.5	0	0	0	0	111.4	N146 R150 A152	N146-T148 VanDerWaalsContact C-N 3.33Å; N146-T148 PolarHBondContact O-N 3.05Å; N146-T148 WeakPolarHBondContact OD1-CB 3.32Å; N146-T148 PolarHBondContact OD1-N 3.39Å; N146-T148 VanDerWaalsContact OD1-N 3.14Å; T148-R150 VanDerWaalsContact C-N 3.35Å; T148-A152 WeakPolarHBondContact O-CB 3.41Å; T148-A152 PolarHBondContact O-N 2.85Å
149	A	94.1	Very high	94.3	Very high	28 Å²	28	64.6 Å²	64.6	23%	0.231	36%	0.359	C	S	.	.	H	α-helix	trans	-68.7	-32.8	175.1	0	0	0	0	0	112.5	N146 L153	N146-A149 HydrophobicContact CB-CB 4.15Å; N146-A149 PolarHBondContact O-N 3.15Å; N146-A149 PolarHBondContact OD1-N 3.36Å; A149-L153 WeakPolarHBondContact O-CG 3.43Å; A149-L153 PolarHBondContact O-N 3.43Å
150	R	95.3	Very high	94.3	Very high	46 Å²	46	67.1 Å²	67.1	17%	0.174	37%	0.37	C	S	.	.	H	α-helix	trans	-68.4	-47.5	173.6	-176.2	173.8	177.6	161.7	-2.2	111.5	Y116 W142 D143 L145 N146 P147 T148 A152 L153 E154	Y116-R150 PolarHBondContact OH-NE 3.28Å; Y116-R150 PolarHBondContact OH-NH2 3.1Å; W142-R150 PolarHBondContact O-NH1 2.91Å; D143-R150 IonicContact OD1-CZ 3.64Å; D143-R150 IonicContact OD1-NH1 3.79Å; D143-R150 PolarHBondContact OD1-NH1 3.01Å; D143-R150 IonicContact OD1-NH2 3.75Å; L145-R150 HydrophobicContact CD2-CB 3.95Å; L145-R150 HydrophobicContact CD2-CG 4.44Å; L145-R150 HydrophobicContact CG-CB 4.26Å; N146-R150 PolarHBondContact O-N 2.99Å; P147-R150 PolarHBondContact O-N 3.48Å; T148-R150 VanDerWaalsContact C-N 3.35Å; R150-A152 PolarHBondContact O-N 2.7Å; R150-L153 PolarHBondContact O-N 2.94Å; R150-L153 VanDerWaalsContact O-N 3.15Å; R150-E154 HydrophobicContact CG-CG 4.48Å; R150-E154 WeakPolarHBondContact CG-OE1 3.27Å; R150-E154 IonicContact CZ-OE1 3.69Å; R150-E154 IonicContact NE-OE1 2.77Å; R150-E154 PolarHBondContact NE-OE1 3.21Å; R150-E154 IonicContact NH2-OE1 2.94Å; R150-E154 WeakPolarHBondContact O-CG 3.12Å; R150-E154 PolarHBondContact O-N 2.75Å
151	A	94.8	Very high	94.4	Very high	39 Å²	39	63.2 Å²	63.2	32%	0.322	35%	0.352	S	S	.	.	H	α-helix	trans	-57.6	-45.7	176.2	0	0	0	0	0	111.8	P147 L153 E154 D155	P147-A151 WeakPolarHBondContact O-CB 3.44Å; P147-A151 PolarHBondContact O-N 3.25Å; A151-L153 PolarHBondContact O-N 3.35Å; A151-L153 VanDerWaalsContact O-N 3.16Å; A151-E154 CarbonylContact O-C 3.53Å; A151-E154 PolarHBondContact O-N 2.9Å; A151-D155 WeakPolarHBondContact O-CB 3.48Å; A151-D155 PolarHBondContact O-N 3.26Å
152	A	94.3	Very high	94.5	Very high	55 Å²	55	65 Å²	65	46%	0.455	36%	0.358	S	S	.	.	H	α-helix	trans	-59.7	-28.4	178	0	0	0	0	0	114.3	T148 R150	T148-A152 WeakPolarHBondContact O-CB 3.41Å; T148-A152 PolarHBondContact O-N 2.85Å; R150-A152 PolarHBondContact O-N 2.7Å
153	L	95.1	Very high	94.5	Very high	28 Å²	28	66.5 Å²	66.5	15%	0.147	37%	0.367	C	S	.	.	H	α-helix	trans	-77.8	-44.4	171.8	-63.8	169	0	0	0	111.3	W142 L145 A149 R150 A151 D155 N156 V157 E160 L161 A164	W142-L153 HydrophobicContact CH2-CD1 4.43Å; W142-L153 HydrophobicContact CZ3-CD1 3.87Å; L145-L153 HydrophobicContact CD2-CD1 4.05Å; A149-L153 WeakPolarHBondContact O-CG 3.43Å; A149-L153 PolarHBondContact O-N 3.43Å; R150-L153 PolarHBondContact O-N 2.94Å; R150-L153 VanDerWaalsContact O-N 3.15Å; A151-L153 PolarHBondContact O-N 3.35Å; A151-L153 VanDerWaalsContact O-N 3.16Å; L153-D155 PolarHBondContact O-N 3.42Å; L153-N156 CarbonylContact O-C 3.56Å; L153-N156 PolarHBondContact O-N 3.37Å; L153-V157 PolarHBondContact O-N 3.31Å; L153-E160 HydrophobicContact CD2-CB 3.98Å; L153-L161 HydrophobicContact CB-CD1 4.04Å; L153-A164 HydrophobicContact CD2-CB 3.86Å
154	E	94.1	Very high	94.6	Very high	74 Å²	74	62.4 Å²	62.4	35%	0.346	35%	0.348	S	S	.	.	H	α-helix	trans	-66	-33.4	179.7	-69.9	176.1	-172.9	0	0	112.7	Y116 R150 A151 N156 V157	Y116-E154 HydrophobicContact CE1-CG 4.15Å; Y116-E154 PolarHBondContact OH-OE1 2.92Å; R150-E154 HydrophobicContact CG-CG 4.48Å; R150-E154 WeakPolarHBondContact CG-OE1 3.27Å; R150-E154 IonicContact CZ-OE1 3.69Å; R150-E154 IonicContact NE-OE1 2.77Å; R150-E154 PolarHBondContact NE-OE1 3.21Å; R150-E154 IonicContact NH2-OE1 2.94Å; R150-E154 WeakPolarHBondContact O-CG 3.12Å; R150-E154 PolarHBondContact O-N 2.75Å; A151-E154 CarbonylContact O-C 3.53Å; A151-E154 PolarHBondContact O-N 2.9Å; E154-N156 VanDerWaalsContact C-N 3.34Å; E154-V157 VanDerWaalsContact O-CG1 3.27Å; E154-V157 WeakPolarHBondContact O-CG1 3.42Å
155	D	94.6	Very high	94.9	Very high	143 Å²	143	55.6 Å²	55.6	77%	0.765	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-25.6	176.6	-73.5	-31.9	0	0	0	113	A151 L153	A151-D155 WeakPolarHBondContact O-CB 3.48Å; A151-D155 PolarHBondContact O-N 3.26Å; L153-D155 PolarHBondContact O-N 3.42Å
156	N	93.9	Very high	95	Very high	55 Å²	55	55.7 Å²	55.7	29%	0.294	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.7	58.9	-177.9	-166.4	-1.2	0	0	0	112.5	L153 E154 N158 I159 E160 L161	L153-N156 CarbonylContact O-C 3.56Å; L153-N156 PolarHBondContact O-N 3.37Å; E154-N156 VanDerWaalsContact C-N 3.34Å; N156-N158 PolarHBondContact O-N 3.31Å; N156-I159 PolarHBondContact O-N 3.08Å; N156-I159 PolarHBondContact OD1-N 3.44Å; N156-E160 HydrophobicContact CB-CB 4.25Å; N156-E160 HydrophobicContact CB-CG 3.98Å; N156-E160 PolarHBondContact O-N 2.64Å; N156-L161 PolarHBondContact O-N 2.64Å
157	V	93.8	Very high	95.2	Very high	29 Å²	29	51.7 Å²	51.7	18%	0.176	29%	0.294	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-25.2	-179	-56.1	0	0	0	0	114.8	M119 S120 L153 E154 L161	M119-V157 HydrophobicContact CB-CG1 4.41Å; M119-V157 HydrophobicContact CE-CG1 4.09Å; M119-V157 WeakPolarHBondContact O-CB 3.16Å; M119-V157 WeakPolarHBondContact O-CG2 3.48Å; S120-V157 VanDerWaalsContact CB-O 3.26Å; S120-V157 WeakPolarHBondContact CB-O 3.37Å; L153-V157 PolarHBondContact O-N 3.31Å; E154-V157 VanDerWaalsContact O-CG1 3.27Å; E154-V157 WeakPolarHBondContact O-CG1 3.42Å; V157-L161 HydrophobicContact CB-CD2 4.07Å; V157-L161 HydrophobicContact CG1-CD2 3.93Å
158	N	91.5	Very high	95.4	Very high	84 Å²	84	47 Å²	47	45%	0.449	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-17.1	-174.5	-88.3	-77.4	0	0	0	114.3	K121 N156	K121-N158 WeakPolarHBondContact CE-OD1 3.14Å; K121-N158 PolarHBondContact NZ-OD1 3.23Å; N156-N158 PolarHBondContact O-N 3.31Å
159	I	93.1	Very high	95.5	Very high	85 Å²	85	41.8 Å²	41.8	44%	0.436	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.5	-69.7	-176.8	-54.5	177	0	0	0	109.1	N156 F162 N163	N156-I159 PolarHBondContact O-N 3.08Å; N156-I159 PolarHBondContact OD1-N 3.44Å; I159-F162 PolarHBondContact O-N 2.94Å; I159-N163 WeakPolarHBondContact O-CB 3.33Å; I159-N163 PolarHBondContact O-N 3.26Å; I159-N163 PolarHBondContact O-ND2 2.96Å; I159-N163 PolarHBondContact O-OD1 3.22Å
160	E	95.1	Very high	95.7	Very high	87 Å²	87	40.4 Å²	40.4	41%	0.407	22%	0.221	S	C	.	.	H	α-helix	trans	-66.5	-46.5	-171.3	-57.9	-48.6	134.1	0	0	112.8	L153 N156 F162 A164	L153-E160 HydrophobicContact CD2-CB 3.98Å; N156-E160 HydrophobicContact CB-CB 4.25Å; N156-E160 HydrophobicContact CB-CG 3.98Å; N156-E160 PolarHBondContact O-N 2.64Å; E160-F162 PolarHBondContact O-N 2.94Å; E160-A164 VanDerWaalsContact O-CB 3.26Å; E160-A164 WeakPolarHBondContact O-CB 3.15Å; E160-A164 PolarHBondContact O-N 2.64Å
161	L	96.6	Very high	95.7	Very high	0 Å²	0	42.8 Å²	42.8	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-65.5	-39.8	176.2	-170.2	62.3	0	0	0	112	Y116 W142 L153 N156 V157 A164 L165	Y116-L161 HydrophobicContact CD1-CD1 4.44Å; Y116-L161 HydrophobicContact CD1-CD2 3.96Å; Y116-L161 HydrophobicContact CD2-CD1 4.1Å; Y116-L161 HydrophobicContact CG-CD1 3.93Å; Y116-L161 HydrophobicContact CG-CD2 4.03Å; Y116-L161 HydrophobicContact CG-CG 4.48Å; W142-L161 HydrophobicContact CH2-CD1 4.37Å; L153-L161 HydrophobicContact CB-CD1 4.04Å; N156-L161 PolarHBondContact O-N 2.64Å; V157-L161 HydrophobicContact CB-CD2 4.07Å; V157-L161 HydrophobicContact CG1-CD2 3.93Å; L161-A164 PolarHBondContact O-N 3.3Å; L161-L165 HydrophobicContact CG-CD1 4.2Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.34Å; L161-L165 PolarHBondContact O-N 2.98Å
162	F	96.8	Very high	95.8	Very high	40 Å²	40	44.3 Å²	44.3	18%	0.175	24%	0.237	C	C	.	.	H	α-helix	trans	-63.2	-49.9	178	179	-104.6	0	0	0	111.1	K121 L122 I159 E160 A164 L165 H166	K121-F162 HydrophobicContact CB-CD2 3.79Å; K121-F162 HydrophobicContact CB-CE2 3.72Å; K121-F162 HydrophobicContact CB-CZ 4.5Å; L122-F162 HydrophobicContact CB-CD2 4.3Å; L122-F162 HydrophobicContact CB-CE2 4.34Å; I159-F162 PolarHBondContact O-N 2.94Å; E160-F162 PolarHBondContact O-N 2.94Å; F162-A164 PolarHBondContact O-N 2.65Å; F162-L165 PolarHBondContact O-N 3.03Å; F162-H166 AromaticContact CE1-CE1 3.85Å; F162-H166 AromaticContact CE1-ND1 3.99Å; F162-H166 AromaticContact CE2-CD2 3.85Å; F162-H166 AromaticContact CE2-NE2 3.6Å; F162-H166 AromaticContact CZ-CD2 3.78Å; F162-H166 AromaticContact CZ-CE1 3.45Å; F162-H166 VanDerWaalsContact CZ-CE1 3.45Å; F162-H166 WeakPolarHBondContact CZ-CE1 3.34Å; F162-H166 AromaticContact CZ-NE2 3.28Å; F162-H166 VanDerWaalsContact CZ-NE2 3.28Å; F162-H166 WeakPolarHBondContact CZ-NE2 3.37Å; F162-H166 WeakPolarHBondContact O-CB 3.45Å; F162-H166 PolarHBondContact O-N 3.16Å
163	N	96.5	Very high	95.8	Very high	33 Å²	33	47 Å²	47	18%	0.176	24%	0.235	C	C	.	.	H	α-helix	trans	-57.6	-46	174.7	-70.5	-14.1	0	0	0	111.5	I159 L165 H166 Y167 Y189	I159-N163 WeakPolarHBondContact O-CB 3.33Å; I159-N163 PolarHBondContact O-N 3.26Å; I159-N163 PolarHBondContact O-ND2 2.96Å; I159-N163 PolarHBondContact O-OD1 3.22Å; N163-L165 PolarHBondContact O-N 2.86Å; N163-H166 PolarHBondContact O-N 2.88Å; N163-Y167 PolarHBondContact O-N 2.84Å; N163-Y189 HydrophobicContact CB-CD2 3.7Å; N163-Y189 HydrophobicContact CB-CE2 3.44Å; N163-Y189 VanDerWaalsContact CB-CE2 3.44Å; N163-Y189 HydrophobicContact CB-CG 4.42Å
164	A	96.6	Very high	95.9	Very high	22 Å²	22	45.9 Å²	45.9	18%	0.182	23%	0.23	C	C	.	.	H	α-helix	trans	-60.4	-46.8	177.8	0	0	0	0	0	111.6	L153 E160 L161 F162 Y167 H168	L153-A164 HydrophobicContact CD2-CB 3.86Å; E160-A164 VanDerWaalsContact O-CB 3.26Å; E160-A164 WeakPolarHBondContact O-CB 3.15Å; E160-A164 PolarHBondContact O-N 2.64Å; L161-A164 PolarHBondContact O-N 3.3Å; F162-A164 PolarHBondContact O-N 2.65Å; A164-Y167 WeakPolarHBondContact O-CB 3.45Å; A164-Y167 PolarHBondContact O-N 3.36Å; A164-H168 PolarHBondContact O-N 3.14Å; A164-H168 PolarHBondContact O-ND1 3.34Å
165	L	97.9	Very high	95.9	Very high	3 Å²	3	43.8 Å²	43.8	2%	0.016	22%	0.22	C	C	.	.	H	α-helix	trans	-71	-33.1	178.5	-64.2	171.2	0	0	0	112.7	T113 Y116 L122 W142 L161 F162 N163 Y167 H168 T169	T113-L165 HydrophobicContact CG2-CD2 4.19Å; Y116-L165 WeakPolarHBondContact O-CD1 3.39Å; L122-L165 HydrophobicContact CD2-CB 3.5Å; L122-L165 HydrophobicContact CD2-CD1 4.25Å; L122-L165 HydrophobicContact CD2-CG 4.45Å; W142-L165 HydrophobicContact CZ2-CD2 4.04Å; L161-L165 HydrophobicContact CG-CD1 4.2Å; L161-L165 VanDerWaalsContact O-CG 3.29Å; L161-L165 WeakPolarHBondContact O-CG 3.34Å; L161-L165 PolarHBondContact O-N 2.98Å; F162-L165 PolarHBondContact O-N 3.03Å; N163-L165 PolarHBondContact O-N 2.86Å; L165-Y167 VanDerWaalsContact C-N 3.28Å; L165-Y167 PolarHBondContact O-N 2.7Å; L165-H168 CarbonylContact O-C 3.4Å; L165-H168 PolarHBondContact O-N 2.9Å; L165-H168 VanDerWaalsContact O-N 3.09Å; L165-T169 PolarHBondContact O-N 3.03Å; L165-T169 PolarHBondContact O-OG1 3.25Å
166	H	96.9	Very high	95.8	Very high	20 Å²	20	37 Å²	37	9%	0.093	18%	0.184	C	C	.	.	H	α-helix	trans	-59.9	-37.6	168.3	-98.3	-141.2	0	0	0	112	E125 F162 N163 H168 T169 M188	E125-H166 IonicContact OE2-CD2 2.72Å; E125-H166 IonicContact OE2-CE1 3.42Å; E125-H166 PolarHBondContact OE2-CE1 2.88Å; E125-H166 IonicContact OE2-NE2 2.72Å; E125-H166 PolarHBondContact OE2-NE2 3.29Å; F162-H166 AromaticContact CE1-CE1 3.85Å; F162-H166 AromaticContact CE1-ND1 3.99Å; F162-H166 AromaticContact CE2-CD2 3.85Å; F162-H166 AromaticContact CE2-NE2 3.6Å; F162-H166 AromaticContact CZ-CD2 3.78Å; F162-H166 AromaticContact CZ-CE1 3.45Å; F162-H166 VanDerWaalsContact CZ-CE1 3.45Å; F162-H166 WeakPolarHBondContact CZ-CE1 3.34Å; F162-H166 AromaticContact CZ-NE2 3.28Å; F162-H166 VanDerWaalsContact CZ-NE2 3.28Å; F162-H166 WeakPolarHBondContact CZ-NE2 3.37Å; F162-H166 WeakPolarHBondContact O-CB 3.45Å; F162-H166 PolarHBondContact O-N 3.16Å; N163-H166 PolarHBondContact O-N 2.88Å; H166-H168 VanDerWaalsContact C-N 3.26Å; H166-H168 PolarHBondContact O-N 3.37Å; H166-T169 PolarHBondContact O-N 2.93Å; H166-M188 HydrophobicContact CB-CB 4.42Å; H166-M188 PolarHBondContact ND1-O 2.74Å; H166-M188 PolarHBondContact O-N 3.48Å
167	Y	98.1	Very high	95.6	Very high	4 Å²	4	39.3 Å²	39.3	2%	0.016	19%	0.191	C	C	.	.	H	α-helix	trans	-68.1	-25.5	174.3	-172.5	-105.5	0	0	0	113	N163 A164 L165 T169 S187 Y189 Q192 A193 I194 N207 I230 R231	N163-Y167 PolarHBondContact O-N 2.84Å; A164-Y167 WeakPolarHBondContact O-CB 3.45Å; A164-Y167 PolarHBondContact O-N 3.36Å; L165-Y167 VanDerWaalsContact C-N 3.28Å; L165-Y167 PolarHBondContact O-N 2.7Å; Y167-T169 VanDerWaalsContact C-N 3.27Å; Y167-S187 WeakPolarHBondContact CD2-OG 3.3Å; Y167-Y189 HydrophobicContact CD2-CD1 4.3Å; Y167-Q192 HydrophobicContact CD2-CB 3.94Å; Y167-Q192 HydrophobicContact CE2-CB 3.71Å; Y167-A193 PolarHBondContact OH-O 2.95Å; Y167-I194 HydrophobicContact CE2-CG1 4.28Å; Y167-I194 VanDerWaalsContact O-CD1 3.28Å; Y167-I194 WeakPolarHBondContact O-CD1 3.27Å; Y167-N207 PolarHBondContact OH-ND2 2.88Å; Y167-I230 HydrophobicContact CD1-CD1 3.97Å; Y167-I230 HydrophobicContact CD1-CG1 4.01Å; Y167-I230 HydrophobicContact CE1-CB 4.44Å; Y167-I230 HydrophobicContact CE1-CD1 3.75Å; Y167-I230 HydrophobicContact CE1-CG1 4.01Å; Y167-R231 WeakPolarHBondContact CE1-O 3.09Å
168	H	98.4	Very high	95.6	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	0.1	170.7	-65.9	67	0	0	0	113.3	F135 P137 A164 L165 H166 I230	F135-H168 PolarHBondContact N-O 3.49Å; F135-H168 PolarHBondContact O-CD2 3.02Å; F135-H168 VanDerWaalsContact O-CD2 3.31Å; P137-H168 VanDerWaalsContact CG-CD2 3.46Å; P137-H168 WeakPolarHBondContact CG-CD2 3.17Å; P137-H168 WeakPolarHBondContact CG-NE2 3.23Å; A164-H168 PolarHBondContact O-N 3.14Å; A164-H168 PolarHBondContact O-ND1 3.34Å; L165-H168 CarbonylContact O-C 3.4Å; L165-H168 PolarHBondContact O-N 2.9Å; L165-H168 VanDerWaalsContact O-N 3.09Å; H166-H168 VanDerWaalsContact C-N 3.26Å; H166-H168 PolarHBondContact O-N 3.37Å; H168-I230 PolarHBondContact CE1-O 2.89Å; H168-I230 WeakPolarHBondContact NE2-CG1 3.19Å; H168-I230 PolarHBondContact NE2-N 3.08Å
169	T	98.2	Very high	95.8	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.006	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	143.4	-172.1	-50.3	0	0	0	0	112.1	F132 T133 V134 L165 H166 Y167 S187 M188	F132-T169 HydrophobicContact CD1-CG2 4.45Å; T133-T169 CarbonylContact O-C 3.54Å; T133-T169 WeakPolarHBondContact O-CA 3.44Å; V134-T169 HydrophobicContact CG2-CG2 3.81Å; L165-T169 PolarHBondContact O-N 3.03Å; L165-T169 PolarHBondContact O-OG1 3.25Å; H166-T169 PolarHBondContact O-N 2.93Å; Y167-T169 VanDerWaalsContact C-N 3.27Å; T169-S187 CarbonylContact O-C 3.52Å; T169-S187 WeakPolarHBondContact O-CA 3.49Å; T169-M188 HydrophobicContact CG2-CE 4.46Å; T169-M188 HydrophobicContact CG2-SD 3.56Å; T169-M188 VanDerWaalsContact CG2-SD 3.56Å; T169-M188 PolarHBondContact O-N 2.81Å
170	V	97.9	Very high	95.8	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	139	178.5	175.3	0	0	0	0	109.7	F132 T133 F135 H172 V185 I194	F132-V170 CarbonylContact C-O 2.99Å; F132-V170 WeakPolarHBondContact CA-O 3.48Å; T133-V170 PolarHBondContact N-O 3.02Å; T133-V170 PolarHBondContact O-N 2.84Å; F135-V170 HydrophobicContact CE2-CG2 3.95Å; V170-H172 WeakPolarHBondContact CG1-CE1 3.3Å; V170-H172 WeakPolarHBondContact CG1-ND1 3.31Å; V170-H172 PolarHBondContact O-N 2.94Å; V170-V185 HydrophobicContact CB-CG1 4.39Å; V170-V185 HydrophobicContact CG1-CG1 3.66Å; V170-V185 HydrophobicContact CG2-CG1 3.8Å; V170-I194 HydrophobicContact CG2-CD1 3.69Å
171	N	96	Very high	95.8	Very high	95 Å²	95	39.4 Å²	39.4	51%	0.508	19%	0.188	S	C	.	.	S	Bend	trans	-75.7	19.3	-175	67.7	3.8	0	0	0	115.9	T131 M188	T131-N171 CarbonylContact O-C 3.43Å; T131-N171 VanDerWaalsContact O-O 3.05Å; N171-M188 HydrophobicContact CB-CG 4.07Å; N171-M188 HydrophobicContact CB-SD 4.12Å
172	H	95.9	Very high	95.7	Very high	72 Å²	72	40.6 Å²	40.6	33%	0.333	20%	0.199	S	C	.	.	S	Bend	trans	-153.2	157.2	172.7	60.6	-85.9	0	0	0	111	T131 T133 V170 L174	T131-H172 WeakPolarHBondContact O-CA 3.41Å; T131-H172 PolarHBondContact O-N 3.33Å; T131-H172 VanDerWaalsContact O-N 3.09Å; T133-H172 WeakPolarHBondContact CB-O 3.19Å; T133-H172 PolarHBondContact N-O 3.38Å; T133-H172 PolarHBondContact OG1-O 2.94Å; V170-H172 WeakPolarHBondContact CG1-CE1 3.3Å; V170-H172 WeakPolarHBondContact CG1-ND1 3.31Å; V170-H172 PolarHBondContact O-N 2.94Å; H172-L174 PolarHBondContact O-N 3.22Å
173	R	95.8	Very high	95.6	Very high	110 Å²	110	41.2 Å²	41.2	42%	0.415	20%	0.204	S	C	.	.			trans	-73.9	118.7	177	-176.1	-179.6	-178	172.7	4.3	112.1	T131 T133 M175 V222	T131-R173 WeakPolarHBondContact OG1-CB 3.42Å; T131-R173 PolarHBondContact OG1-N 2.91Å; T133-R173 WeakPolarHBondContact OG1-CA 3.48Å; R173-M175 HydrophobicContact CG-SD 3.99Å; R173-M175 PolarHBondContact NE-SD 3.15Å; R173-V222 HydrophobicContact CG-CB 4.17Å; R173-V222 HydrophobicContact CG-CG1 3.82Å
174	L	96.2	Very high	95.6	Very high	6 Å²	6	43.5 Å²	43.5	3%	0.031	22%	0.219	C	C	.	.			trans	-125.4	119.5	-178.8	-175.2	74.1	0	0	0	109.3	T133 F135 H172 D178 M179 M183 V185 V222 H224	T133-L174 HydrophobicContact CG2-CB 4.28Å; T133-L174 PolarHBondContact OG1-N 3.05Å; F135-L174 HydrophobicContact CZ-CD2 4.29Å; H172-L174 PolarHBondContact O-N 3.22Å; L174-D178 HydrophobicContact CD1-CB 3.65Å; L174-D178 HydrophobicContact CG-CB 4.48Å; L174-M179 HydrophobicContact CB-CE 4.48Å; L174-M179 HydrophobicContact CD2-CE 3.98Å; L174-M179 HydrophobicContact CD2-CG 3.86Å; L174-M179 HydrophobicContact CG-CE 4.03Å; L174-M179 HydrophobicContact CG-CG 3.93Å; L174-M183 HydrophobicContact CD1-CE 3.8Å; L174-V185 HydrophobicContact CD2-CG1 4.41Å; L174-V185 HydrophobicContact CD2-CG2 3.97Å; L174-V222 WeakPolarHBondContact O-CG1 3.25Å; L174-H224 PolarHBondContact O-CE1 3Å; L174-H224 PolarHBondContact O-NE2 2.83Å
175	M	93.9	Very high	95.6	Very high	29 Å²	29	42.8 Å²	42.8	14%	0.143	21%	0.212	C	C	.	.			trans	-99.8	164.5	-179.9	-46	-65.7	-82.9	0	0	110.7	R173 K177 D178 M179 N215 I217 V222	R173-M175 HydrophobicContact CG-SD 3.99Å; R173-M175 PolarHBondContact NE-SD 3.15Å; M175-K177 HydrophobicContact CB-CG 3.97Å; M175-K177 PolarHBondContact O-N 2.9Å; M175-D178 VanDerWaalsContact CB-OD2 3.26Å; M175-D178 WeakPolarHBondContact CB-OD2 3.33Å; M175-D178 PolarHBondContact N-OD2 3.09Å; M175-D178 VanDerWaalsContact N-OD2 3.15Å; M175-D178 WeakPolarHBondContact O-CB 3.25Å; M175-D178 PolarHBondContact O-N 3.21Å; M175-M179 WeakPolarHBondContact O-CG 3.22Å; M175-M179 PolarHBondContact O-N 3.44Å; M175-M179 VanDerWaalsContact O-N 3.1Å; M175-N215 WeakPolarHBondContact CA-OD1 3.46Å; M175-N215 WeakPolarHBondContact CB-OD1 3.31Å; M175-N215 HydrophobicContact CE-CB 4.02Å; M175-I217 HydrophobicContact CE-CD1 4.45Å; M175-I217 HydrophobicContact CE-CG1 4.18Å; M175-V222 HydrophobicContact CE-CG2 4.38Å; M175-V222 HydrophobicContact SD-CB 4.09Å; M175-V222 HydrophobicContact SD-CG1 4.23Å; M175-V222 HydrophobicContact SD-CG2 3.83Å
176	T	91.8	Very high	95.6	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-9.8	177.7	64	0	0	0	0	114.6	S23 Y25 M179 H198 I211 N215	S23-T176 WeakPolarHBondContact CB-O 3.22Å; Y25-T176 HydrophobicContact CD1-CG2 3.98Å; Y25-T176 VanDerWaalsContact CD1-OG1 3.32Å; Y25-T176 WeakPolarHBondContact CD1-OG1 3.36Å; Y25-T176 HydrophobicContact CE1-CG2 4.16Å; Y25-T176 HydrophobicContact CG-CG2 4.32Å; T176-M179 HydrophobicContact CG2-SD 4.22Å; T176-H198 PolarHBondContact O-CE1 3.31Å; T176-I211 HydrophobicContact CG2-CD1 4.36Å; T176-N215 PolarHBondContact N-OD1 2.87Å; T176-N215 PolarHBondContact OG1-ND2 2.87Å
177	K	90.2	Very high	95.6	Very high	104 Å²	104	44.9 Å²	44.9	45%	0.452	23%	0.227	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-19	170.2	61	151.5	-174.7	61.4	0	114.5	M175	M175-K177 HydrophobicContact CB-CG 3.97Å; M175-K177 PolarHBondContact O-N 2.9Å
178	D	93.8	Very high	95.5	Very high	56 Å²	56	46.4 Å²	46.4	30%	0.299	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95	-28.5	178.9	-52	-57.3	0	0	0	110.3	L174 M175 K180	L174-D178 HydrophobicContact CD1-CB 3.65Å; L174-D178 HydrophobicContact CG-CB 4.48Å; M175-D178 VanDerWaalsContact CB-OD2 3.26Å; M175-D178 WeakPolarHBondContact CB-OD2 3.33Å; M175-D178 PolarHBondContact N-OD2 3.09Å; M175-D178 VanDerWaalsContact N-OD2 3.15Å; M175-D178 WeakPolarHBondContact O-CB 3.25Å; M175-D178 PolarHBondContact O-N 3.21Å; D178-K180 VanDerWaalsContact C-N 3.33Å; D178-K180 PolarHBondContact O-N 3.02Å
179	M	95.3	Very high	95.4	Very high	1 Å²	1	48.6 Å²	48.6	1%	0.005	24%	0.243	C	C	.	.			trans	-62.4	79.1	169.9	-69.4	174.7	-167.7	0	0	112.7	F135 L174 M175 T176 I196 H198 V204 I211 H224	F135-M179 HydrophobicContact CE1-CE 3.56Å; F135-M179 HydrophobicContact CE1-SD 4.49Å; F135-M179 HydrophobicContact CZ-CE 4Å; L174-M179 HydrophobicContact CB-CE 4.48Å; L174-M179 HydrophobicContact CD2-CE 3.98Å; L174-M179 HydrophobicContact CD2-CG 3.86Å; L174-M179 HydrophobicContact CG-CE 4.03Å; L174-M179 HydrophobicContact CG-CG 3.93Å; M175-M179 WeakPolarHBondContact O-CG 3.22Å; M175-M179 PolarHBondContact O-N 3.44Å; M175-M179 VanDerWaalsContact O-N 3.1Å; T176-M179 HydrophobicContact CG2-SD 4.22Å; M179-I196 HydrophobicContact CB-CG2 3.61Å; M179-I196 HydrophobicContact CG-CG2 3.95Å; M179-H198 PolarHBondContact O-ND1 3.28Å; M179-V204 HydrophobicContact CB-CG1 4.32Å; M179-V204 HydrophobicContact SD-CG1 3.88Å; M179-I211 HydrophobicContact CE-CD1 4.28Å; M179-I211 HydrophobicContact SD-CD1 3.7Å; M179-H224 VanDerWaalsContact CE-NE2 3.31Å; M179-H224 WeakPolarHBondContact CE-NE2 3.35Å
180	K	94.2	Very high	95.2	Very high	151 Å²	151	54.2 Å²	54.2	66%	0.657	27%	0.273	S	S	*	.			trans	-73.9	156.7	175.4	-66.5	174.9	-174.1	176.8	0	111.2	D178 G182 M183	D178-K180 VanDerWaalsContact C-N 3.33Å; D178-K180 PolarHBondContact O-N 3.02Å; K180-G182 PolarHBondContact O-N 3.48Å; K180-M183 HydrophobicContact CB-CB 4.4Å; K180-M183 WeakPolarHBondContact O-CB 3.46Å; K180-M183 PolarHBondContact O-N 3.26Å
181	N	95.6	Very high	95.1	Very high	80 Å²	80	60.4 Å²	60.4	43%	0.428	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	133	175.7	-169.7	80.7	0	0	0	111.5	M183 N197 H198	N181-M183 VanDerWaalsContact C-N 3.28Å; N181-N197 WeakPolarHBondContact OD1-CA 3.33Å; N181-N197 WeakPolarHBondContact OD1-CB 3.16Å; N181-H198 HydrophobicContact CB-CB 4.35Å; N181-H198 PolarHBondContact OD1-N 3.04Å; N181-H198 PolarHBondContact OD1-O 3.28Å
182	G	93.9	Very high	95.1	Very high	24 Å²	24	58 Å²	58	25%	0.247	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	71.2	23	-177.9	0	0	0	0	0	113.8	K180 I196 N197	K180-G182 PolarHBondContact O-N 3.48Å; G182-I196 WeakPolarHBondContact CA-O 3.02Å; G182-I196 PolarHBondContact N-O 2.92Å; G182-N197 PolarHBondContact N-OD1 2.91Å
183	M	95.6	Very high	95.1	Very high	54 Å²	54	56.1 Å²	56.1	27%	0.266	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	131.9	176.9	176	176.7	-177.8	0	0	110.2	L174 K180 N181 V185 I196	L174-M183 HydrophobicContact CD1-CE 3.8Å; K180-M183 HydrophobicContact CB-CB 4.4Å; K180-M183 WeakPolarHBondContact O-CB 3.46Å; K180-M183 PolarHBondContact O-N 3.26Å; N181-M183 VanDerWaalsContact C-N 3.28Å; M183-V185 HydrophobicContact CE-CG2 3.99Å; M183-V185 HydrophobicContact CG-CG2 4.07Å; M183-V185 HydrophobicContact SD-CG2 4.42Å; M183-I196 HydrophobicContact CB-CB 4.19Å; M183-I196 PolarHBondContact N-O 2.87Å; M183-I196 WeakPolarHBondContact O-CA 3.44Å; M183-I196 VanDerWaalsContact O-CB 3.28Å; M183-I196 WeakPolarHBondContact O-CB 3.49Å; M183-I196 PolarHBondContact O-N 2.95Å
184	T	95.8	Very high	95.1	Very high	81 Å²	81	50.9 Å²	50.9	50%	0.497	27%	0.269	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	139.9	170.5	-51.7	0	0	0	0	109.8	A193 I194 F195	T184-A193 HydrophobicContact CG2-CB 3.51Å; T184-I194 CarbonylContact C-O 3.59Å; T184-I194 WeakPolarHBondContact CA-O 3.23Å; T184-F195 HydrophobicContact CG2-CD1 4.47Å; T184-F195 HydrophobicContact CG2-CE1 4.24Å
185	V	96.6	Very high	95.2	Very high	6 Å²	6	52.3 Å²	52.3	4%	0.036	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	135.5	-178	-168.8	0	0	0	0	109.8	V170 L174 M183 S187 I194 I196	V170-V185 HydrophobicContact CB-CG1 4.39Å; V170-V185 HydrophobicContact CG1-CG1 3.66Å; V170-V185 HydrophobicContact CG2-CG1 3.8Å; L174-V185 HydrophobicContact CD2-CG1 4.41Å; L174-V185 HydrophobicContact CD2-CG2 3.97Å; M183-V185 HydrophobicContact CE-CG2 3.99Å; M183-V185 HydrophobicContact CG-CG2 4.07Å; M183-V185 HydrophobicContact SD-CG2 4.42Å; V185-S187 PolarHBondContact O-N 2.99Å; V185-I194 PolarHBondContact N-O 3.25Å; V185-I194 PolarHBondContact O-N 3.13Å; V185-I196 HydrophobicContact CG2-CG1 3.78Å
186	T	97.3	Very high	95.4	Very high	65 Å²	65	51 Å²	51	40%	0.399	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	119.7	176.2	-53.6	0	0	0	0	110.4	D191	T186-D191 HydrophobicContact CG2-CB 3.76Å; T186-D191 WeakPolarHBondContact CG2-OD1 3.4Å
187	S	97.4	Very high	95.6	Very high	2 Å²	2	51.4 Å²	51.4	1%	0.014	27%	0.27	C	S	.	.			trans	-75.5	166.2	169	71.6	0	0	0	0	111.7	Y167 T169 V185 Y189 Q192	Y167-S187 WeakPolarHBondContact CD2-OG 3.3Å; T169-S187 CarbonylContact O-C 3.52Å; T169-S187 WeakPolarHBondContact O-CA 3.49Å; V185-S187 PolarHBondContact O-N 2.99Å; S187-Y189 VanDerWaalsContact C-N 3.26Å; S187-Y189 PolarHBondContact O-N 2.85Å; S187-Y189 PolarHBondContact OG-N 2.9Å; S187-Y189 PolarHBondContact OG-O 3.38Å; S187-Q192 VanDerWaalsContact CB-O 3.31Å; S187-Q192 WeakPolarHBondContact CB-O 3.31Å; S187-Q192 PolarHBondContact N-O 3.46Å; S187-Q192 PolarHBondContact OG-O 3.14Å
188	M	96.5	Very high	95.9	Very high	36 Å²	36	47.8 Å²	47.8	18%	0.177	26%	0.255	C	S	.	.	S	Bend	trans	-76.2	-12.1	173.4	-72.7	170.8	52.5	0	0	113.2	E125 F132 H166 T169 N171 N190	E125-M188 VanDerWaalsContact CD-CE 3.42Å; E125-M188 HydrophobicContact CG-CE 4.24Å; E125-M188 WeakPolarHBondContact OE1-CE 3.49Å; F132-M188 HydrophobicContact CD1-CE 4.33Å; F132-M188 HydrophobicContact CD1-SD 3.93Å; F132-M188 HydrophobicContact CE1-CE 4.05Å; F132-M188 HydrophobicContact CE1-SD 4.19Å; H166-M188 HydrophobicContact CB-CB 4.42Å; H166-M188 PolarHBondContact ND1-O 2.74Å; H166-M188 PolarHBondContact O-N 3.48Å; T169-M188 HydrophobicContact CG2-CE 4.46Å; T169-M188 HydrophobicContact CG2-SD 3.56Å; T169-M188 VanDerWaalsContact CG2-SD 3.56Å; T169-M188 PolarHBondContact O-N 2.81Å; N171-M188 HydrophobicContact CB-CG 4.07Å; N171-M188 HydrophobicContact CB-SD 4.12Å; M188-N190 PolarHBondContact O-N 2.84Å
189	Y	95.9	Very high	95.9	Very high	48 Å²	48	45.8 Å²	45.8	19%	0.188	24%	0.243	C	C	.	.	S	Bend	trans	-87.1	105.7	174.8	179.4	-122.9	0	0	0	111.4	N163 Y167 S187 D191 Q192	N163-Y189 HydrophobicContact CB-CD2 3.7Å; N163-Y189 HydrophobicContact CB-CE2 3.44Å; N163-Y189 VanDerWaalsContact CB-CE2 3.44Å; N163-Y189 HydrophobicContact CB-CG 4.42Å; Y167-Y189 HydrophobicContact CD2-CD1 4.3Å; S187-Y189 VanDerWaalsContact C-N 3.26Å; S187-Y189 PolarHBondContact O-N 2.85Å; S187-Y189 PolarHBondContact OG-N 2.9Å; S187-Y189 PolarHBondContact OG-O 3.38Å; Y189-D191 PolarHBondContact O-N 2.94Å; Y189-D191 VanDerWaalsContact O-N 3.08Å; Y189-Q192 HydrophobicContact CD1-CG 4.39Å; Y189-Q192 VanDerWaalsContact CD1-OE1 3.31Å; Y189-Q192 WeakPolarHBondContact O-CB 3.2Å; Y189-Q192 WeakPolarHBondContact O-CG 3.3Å; Y189-Q192 PolarHBondContact O-N 3.49Å
190	N	94.5	Very high	95.6	Very high	118 Å²	118	52 Å²	52	63%	0.631	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.7	36.5	173	-68.5	-25.9	0	0	0	114.2	M188 Q192	M188-N190 PolarHBondContact O-N 2.84Å; N190-Q192 HydrophobicContact CB-CG 4.28Å; N190-Q192 PolarHBondContact O-N 2.92Å
191	D	94.7	Very high	95.4	Very high	130 Å²	130	46.3 Å²	46.3	70%	0.695	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.7	21.6	-173.9	-65.2	-50.9	0	0	0	114.9	T186 Y189	T186-D191 HydrophobicContact CG2-CB 3.76Å; T186-D191 WeakPolarHBondContact CG2-OD1 3.4Å; Y189-D191 PolarHBondContact O-N 2.94Å; Y189-D191 VanDerWaalsContact O-N 3.08Å
192	Q	95.4	Very high	95	Very high	45 Å²	45	42.8 Å²	42.8	21%	0.21	24%	0.243	C	C	.	.			trans	-68.9	141.9	-173.7	-70	-172.2	-10.5	0	0	112.3	Y167 S187 Y189 N190	Y167-Q192 HydrophobicContact CD2-CB 3.94Å; Y167-Q192 HydrophobicContact CE2-CB 3.71Å; S187-Q192 VanDerWaalsContact CB-O 3.31Å; S187-Q192 WeakPolarHBondContact CB-O 3.31Å; S187-Q192 PolarHBondContact N-O 3.46Å; S187-Q192 PolarHBondContact OG-O 3.14Å; Y189-Q192 HydrophobicContact CD1-CG 4.39Å; Y189-Q192 VanDerWaalsContact CD1-OE1 3.31Å; Y189-Q192 WeakPolarHBondContact O-CB 3.2Å; Y189-Q192 WeakPolarHBondContact O-CG 3.3Å; Y189-Q192 PolarHBondContact O-N 3.49Å; N190-Q192 HydrophobicContact CB-CG 4.28Å; N190-Q192 PolarHBondContact O-N 2.92Å
193	A	95.8	Very high	95	Very high	32 Å²	32	42.2 Å²	42.2	26%	0.264	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	131.7	-177.7	0	0	0	0	0	113.2	Y167 T184 F195	Y167-A193 PolarHBondContact OH-O 2.95Å; T184-A193 HydrophobicContact CG2-CB 3.51Å; A193-F195 HydrophobicContact CB-CE1 4.41Å; A193-F195 HydrophobicContact CB-CE2 3.72Å; A193-F195 HydrophobicContact CB-CZ 3.61Å; A193-F195 WeakPolarHBondContact O-CE2 3.25Å
194	I	97.5	Very high	95	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	135.3	163.4	-51.8	178.1	0	0	0	108	F135 Y167 V170 T184 V185 I196 V206 I230	F135-I194 HydrophobicContact CD2-CD1 4.06Å; F135-I194 HydrophobicContact CE2-CD1 3.92Å; F135-I194 HydrophobicContact CE2-CG2 4.4Å; Y167-I194 HydrophobicContact CE2-CG1 4.28Å; Y167-I194 VanDerWaalsContact O-CD1 3.28Å; Y167-I194 WeakPolarHBondContact O-CD1 3.27Å; V170-I194 HydrophobicContact CG2-CD1 3.69Å; T184-I194 CarbonylContact C-O 3.59Å; T184-I194 WeakPolarHBondContact CA-O 3.23Å; V185-I194 PolarHBondContact N-O 3.25Å; V185-I194 PolarHBondContact O-N 3.13Å; I194-I196 HydrophobicContact CG2-CD1 4.07Å; I194-V206 HydrophobicContact CG2-CG1 3.34Å; I194-I230 HydrophobicContact CG2-CD1 4.34Å
195	F	97.1	Very high	95.1	Very high	36 Å²	36	35.8 Å²	35.8	16%	0.158	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	120.7	-174.2	-60.6	-91.2	0	0	0	111.1	T184 A193 V206 N207 V233 S354	T184-F195 HydrophobicContact CG2-CD1 4.47Å; T184-F195 HydrophobicContact CG2-CE1 4.24Å; A193-F195 HydrophobicContact CB-CE1 4.41Å; A193-F195 HydrophobicContact CB-CE2 3.72Å; A193-F195 HydrophobicContact CB-CZ 3.61Å; A193-F195 WeakPolarHBondContact O-CE2 3.25Å; F195-V206 WeakPolarHBondContact O-CA 3.11Å; F195-N207 PolarHBondContact N-OD1 2.64Å; F195-N207 PolarHBondContact O-N 3Å; F195-V233 HydrophobicContact CD2-CG2 4.31Å; F195-V233 HydrophobicContact CE2-CB 3.93Å; F195-V233 HydrophobicContact CE2-CG1 4.1Å; F195-V233 HydrophobicContact CE2-CG2 4.21Å; F195-S354 VanDerWaalsContact CE1-O 3.27Å; F195-S354 WeakPolarHBondContact CE1-O 3.37Å
196	I	97.8	Very high	95.1	Very high	1 Å²	1	35.5 Å²	35.5	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	126.8	-173.3	-53.1	-64.1	0	0	0	110.3	F135 M179 G182 M183 V185 I194 V204 T205 V206	F135-I196 HydrophobicContact CE1-CD1 4.39Å; F135-I196 HydrophobicContact CZ-CD1 3.92Å; M179-I196 HydrophobicContact CB-CG2 3.61Å; M179-I196 HydrophobicContact CG-CG2 3.95Å; G182-I196 WeakPolarHBondContact CA-O 3.02Å; G182-I196 PolarHBondContact N-O 2.92Å; M183-I196 HydrophobicContact CB-CB 4.19Å; M183-I196 PolarHBondContact N-O 2.87Å; M183-I196 WeakPolarHBondContact O-CA 3.44Å; M183-I196 VanDerWaalsContact O-CB 3.28Å; M183-I196 WeakPolarHBondContact O-CB 3.49Å; M183-I196 PolarHBondContact O-N 2.95Å; V185-I196 HydrophobicContact CG2-CG1 3.78Å; I194-I196 HydrophobicContact CG2-CD1 4.07Å; I196-V204 HydrophobicContact CG2-CG1 4.48Å; I196-T205 WeakPolarHBondContact CA-O 3.4Å; I196-V206 HydrophobicContact CD1-CB 4.23Å; I196-V206 HydrophobicContact CD1-CG1 3.93Å; I196-V206 HydrophobicContact CD1-CG2 3.93Å
197	N	97.2	Very high	95.1	Very high	9 Å²	9	33 Å²	33	5%	0.048	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	142.7	172.9	-64.1	-60.7	0	0	0	111	N181 G182 Y199 V204 T205 V309	N181-N197 WeakPolarHBondContact OD1-CA 3.33Å; N181-N197 WeakPolarHBondContact OD1-CB 3.16Å; G182-N197 PolarHBondContact N-OD1 2.91Å; N197-Y199 HydrophobicContact CB-CD2 4.47Å; N197-Y199 HydrophobicContact CB-CE2 3.62Å; N197-V204 WeakPolarHBondContact O-CA 3.36Å; N197-T205 PolarHBondContact N-O 2.91Å; N197-T205 PolarHBondContact O-N 2.7Å; N197-V309 WeakPolarHBondContact ND2-CG1 3.45Å
198	H	95.2	Very high	95.1	Very high	28 Å²	28	33 Å²	33	13%	0.13	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132	105.3	-179.6	-164	161	0	0	0	110	Y25 T176 M179 N181 V203 V204	Y25-H198 PolarHBondContact N-NE2 3.48Å; T176-H198 PolarHBondContact O-CE1 3.31Å; M179-H198 PolarHBondContact O-ND1 3.28Å; N181-H198 HydrophobicContact CB-CB 4.35Å; N181-H198 PolarHBondContact OD1-N 3.04Å; N181-H198 PolarHBondContact OD1-O 3.28Å; H198-V203 PolarHBondContact CD2-O 3.29Å; H198-V204 VanDerWaalsContact NE2-CG2 3.3Å; H198-V204 WeakPolarHBondContact NE2-CG2 3.44Å
199	Y	94.1	Very high	95.2	Very high	14 Å²	14	31.3 Å²	31.3	6%	0.055	17%	0.173	C	C	.	.			trans	-84.9	151.1	-172	-63.6	-86.5	0	0	0	112	N197 N201 G202 V203 T205 V309 C311 A314	N197-Y199 HydrophobicContact CB-CD2 4.47Å; N197-Y199 HydrophobicContact CB-CE2 3.62Å; Y199-N201 VanDerWaalsContact CB-OD1 3.22Å; Y199-N201 WeakPolarHBondContact CB-OD1 3.35Å; Y199-N201 PolarHBondContact O-N 2.87Å; Y199-G202 WeakPolarHBondContact O-CA 3.25Å; Y199-G202 PolarHBondContact O-N 2.97Å; Y199-V203 HydrophobicContact CD2-CB 4.35Å; Y199-V203 HydrophobicContact CD2-CG1 4.29Å; Y199-V203 PolarHBondContact N-O 2.98Å; Y199-T205 HydrophobicContact CE2-CG2 4.05Å; Y199-V309 VanDerWaalsContact CE1-O 3.3Å; Y199-V309 WeakPolarHBondContact CE1-O 3.4Å; Y199-V309 PolarHBondContact OH-O 3.1Å; Y199-C311 PolarHBondContact OH-N 3.23Å; Y199-C311 VanDerWaalsContact OH-N 3.15Å; Y199-C311 PolarHBondContact OH-SG 3.37Å; Y199-A314 HydrophobicContact CD1-CB 3.62Å; Y199-A314 HydrophobicContact CD2-CB 3.43Å; Y199-A314 VanDerWaalsContact CD2-CB 3.43Å; Y199-A314 HydrophobicContact CE1-CB 3.68Å; Y199-A314 HydrophobicContact CE2-CB 3.48Å; Y199-A314 VanDerWaalsContact CE2-CB 3.48Å; Y199-A314 HydrophobicContact CG-CB 3.5Å
200	P	90.3	Very high	95.2	Very high	133 Å²	133	29.6 Å²	29.6	86%	0.864	17%	0.166	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.4	-16.7	179.4	-25.9	35.3	0	0	0	115	G202	P200-G202 VanDerWaalsContact C-N 3.25Å
201	N	88.3	Confident	95.2	Very high	30 Å²	30	24.4 Å²	24.4	16%	0.16	14%	0.138	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.8	8	172.5	66.9	4.9	0	0	0	113.7	I28 T59 Y199 V203 A314	I28-N201 VanDerWaalsContact CD1-C 3.48Å; I28-N201 WeakPolarHBondContact CD1-O 3.32Å; T59-N201 HydrophobicContact CG2-CB 3.73Å; Y199-N201 VanDerWaalsContact CB-OD1 3.22Å; Y199-N201 WeakPolarHBondContact CB-OD1 3.35Å; Y199-N201 PolarHBondContact O-N 2.87Å; N201-V203 VanDerWaalsContact C-N 3.31Å; N201-V203 PolarHBondContact O-N 2.78Å; N201-V203 WeakPolarHBondContact OD1-CB 3.41Å; N201-V203 WeakPolarHBondContact OD1-CG2 3.45Å; N201-V203 PolarHBondContact OD1-N 3.09Å; N201-V203 VanDerWaalsContact OD1-N 3.16Å; N201-A314 PolarHBondContact ND2-O 3.29Å
202	G	88.8	Confident	94.9	Very high	6 Å²	6	19.7 Å²	19.7	6%	0.062	11%	0.113	C	C	.	.	S	Bend	trans	80.5	-2.3	177.1	0	0	0	0	0	115.8	Y199 P200	Y199-G202 WeakPolarHBondContact O-CA 3.25Å; Y199-G202 PolarHBondContact O-N 2.97Å; P200-G202 VanDerWaalsContact C-N 3.25Å
203	V	92.6	Very high	94.5	Very high	12 Å²	12	19.7 Å²	19.7	7%	0.073	11%	0.113	C	C	.	.			trans	-64.4	133.1	170.7	174.9	0	0	0	0	109.5	H198 Y199 N201 T205 R210 A314	H198-V203 PolarHBondContact CD2-O 3.29Å; Y199-V203 HydrophobicContact CD2-CB 4.35Å; Y199-V203 HydrophobicContact CD2-CG1 4.29Å; Y199-V203 PolarHBondContact N-O 2.98Å; N201-V203 VanDerWaalsContact C-N 3.31Å; N201-V203 PolarHBondContact O-N 2.78Å; N201-V203 WeakPolarHBondContact OD1-CB 3.41Å; N201-V203 WeakPolarHBondContact OD1-CG2 3.45Å; N201-V203 PolarHBondContact OD1-N 3.09Å; N201-V203 VanDerWaalsContact OD1-N 3.16Å; V203-T205 HydrophobicContact CG1-CG2 3.94Å; V203-R210 HydrophobicContact CG1-CG 3.96Å; V203-A314 HydrophobicContact CG1-CB 4.44Å
204	V	95.8	Very high	94.2	Very high	1 Å²	1	18.2 Å²	18.2	1%	0.006	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	134.7	169.6	-174.6	0	0	0	0	107.8	M179 I196 N197 H198 R210 I211	M179-V204 HydrophobicContact CB-CG1 4.32Å; M179-V204 HydrophobicContact SD-CG1 3.88Å; I196-V204 HydrophobicContact CG2-CG1 4.48Å; N197-V204 WeakPolarHBondContact O-CA 3.36Å; H198-V204 VanDerWaalsContact NE2-CG2 3.3Å; H198-V204 WeakPolarHBondContact NE2-CG2 3.44Å; V204-R210 WeakPolarHBondContact O-CA 3.38Å; V204-I211 HydrophobicContact CB-CB 4.47Å; V204-I211 HydrophobicContact CB-CD1 3.98Å; V204-I211 HydrophobicContact CB-CG1 4.34Å; V204-I211 HydrophobicContact CG1-CD1 3.64Å; V204-I211 HydrophobicContact CG1-CG1 4.34Å; V204-I211 PolarHBondContact O-N 2.82Å
205	T	97.5	Very high	93.8	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	146.9	176.9	64.1	0	0	0	0	112.5	I196 N197 Y199 V203 A209 R210 C311	I196-T205 WeakPolarHBondContact CA-O 3.4Å; N197-T205 PolarHBondContact N-O 2.91Å; N197-T205 PolarHBondContact O-N 2.7Å; Y199-T205 HydrophobicContact CE2-CG2 4.05Å; V203-T205 HydrophobicContact CG1-CG2 3.94Å; T205-A209 CarbonylContact C-O 3.52Å; T205-A209 WeakPolarHBondContact CA-O 3.07Å; T205-R210 HydrophobicContact CG2-CB 4.29Å; T205-C311 HydrophobicContact CG2-CB 4.19Å
206	V	98.1	Very high	93.5	Very high	0 Å²	0	19.2 Å²	19.2	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	109.2	-179.1	-172.8	0	0	0	0	106.3	F135 I194 F195 I196 C208 A209 I211 I226 I230	F135-V206 HydrophobicContact CB-CG1 4.41Å; F135-V206 HydrophobicContact CD1-CB 4.37Å; F135-V206 HydrophobicContact CD1-CG1 3.98Å; F135-V206 HydrophobicContact CD1-CG2 3.62Å; F135-V206 HydrophobicContact CD2-CG1 3.99Å; F135-V206 HydrophobicContact CE1-CG1 4.13Å; F135-V206 HydrophobicContact CE1-CG2 3.58Å; F135-V206 HydrophobicContact CE2-CG1 4.15Å; F135-V206 HydrophobicContact CG-CG1 3.89Å; F135-V206 HydrophobicContact CG-CG2 4.34Å; F135-V206 HydrophobicContact CZ-CG1 4.21Å; F135-V206 HydrophobicContact CZ-CG2 4.31Å; I194-V206 HydrophobicContact CG2-CG1 3.34Å; F195-V206 WeakPolarHBondContact O-CA 3.11Å; I196-V206 HydrophobicContact CD1-CB 4.23Å; I196-V206 HydrophobicContact CD1-CG1 3.93Å; I196-V206 HydrophobicContact CD1-CG2 3.93Å; V206-C208 PolarHBondContact O-N 3.12Å; V206-A209 PolarHBondContact N-O 2.78Å; V206-A209 VanDerWaalsContact O-CB 3.28Å; V206-A209 WeakPolarHBondContact O-CB 3.47Å; V206-A209 PolarHBondContact O-N 2.82Å; V206-I211 HydrophobicContact CG2-CD1 4.07Å; V206-I211 HydrophobicContact CG2-CG1 3.98Å; V206-I226 HydrophobicContact CG2-CG2 4.21Å; V206-I230 HydrophobicContact CG1-CD1 4.08Å; V206-I230 WeakPolarHBondContact O-CG2 3.37Å
207	N	97.5	Very high	93.2	Very high	12 Å²	12	22.6 Å²	22.6	6%	0.064	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	44.6	49.2	-166.2	-65.5	18	0	0	0	112	Y167 F195 A209 I230 R231 V352	Y167-N207 PolarHBondContact OH-ND2 2.88Å; F195-N207 PolarHBondContact N-OD1 2.64Å; F195-N207 PolarHBondContact O-N 3Å; N207-A209 PolarHBondContact O-N 2.81Å; N207-I230 HydrophobicContact CB-CB 4.11Å; N207-I230 HydrophobicContact CB-CG2 3.86Å; N207-R231 PolarHBondContact ND2-O 2.88Å; N207-V352 HydrophobicContact CB-CG1 4.45Å; N207-V352 HydrophobicContact CB-CG2 4.26Å; N207-V352 WeakPolarHBondContact O-CG2 3.47Å
208	C	97.4	Very high	93	Very high	3 Å²	3	22.3 Å²	22.3	2%	0.02	12%	0.123	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.1	-3.4	-173	-66.3	0	0	0	0	117.9	V206 C311 D350 V352	V206-C208 PolarHBondContact O-N 3.12Å; C208-C311 WeakPolarHBondContact CA-SG 3.44Å; C208-C311 HydrophobicContact CB-CB 3.53Å; C208-C311 WeakPolarHBondContact CB-SG 3.25Å; C208-C311 WeakPolarHBondContact SG-CB 3.43Å; C208-C311 CovalentContact SG-SG 2.04Å; C208-C311 PolarHBondContact SG-SG 2.91Å; C208-D350 HydrophobicContact CB-CB 3.81Å; C208-V352 HydrophobicContact CB-CG2 4.16Å
209	A	97.4	Very high	93	Very high	0 Å²	0	25.7 Å²	25.7	0%	0	15%	0.145	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	126.1	164.9	0	0	0	0	0	109.8	T205 V206 N207 I226 R228 I230	T205-A209 CarbonylContact C-O 3.52Å; T205-A209 WeakPolarHBondContact CA-O 3.07Å; V206-A209 PolarHBondContact N-O 2.78Å; V206-A209 VanDerWaalsContact O-CB 3.28Å; V206-A209 WeakPolarHBondContact O-CB 3.47Å; V206-A209 PolarHBondContact O-N 2.82Å; N207-A209 PolarHBondContact O-N 2.81Å; A209-I226 HydrophobicContact CB-CB 4.23Å; A209-I226 HydrophobicContact CB-CD1 4.07Å; A209-R228 HydrophobicContact CB-CB 3.67Å; A209-I230 HydrophobicContact CB-CG2 3.68Å
210	R	95.7	Very high	93	Very high	12 Å²	12	25.8 Å²	25.8	5%	0.045	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	135.7	-175.7	168.4	176.2	52.4	57.1	8.6	111	V203 V204 T205 I212 I226 D227 E313	V203-R210 HydrophobicContact CG1-CG 3.96Å; V204-R210 WeakPolarHBondContact O-CA 3.38Å; T205-R210 HydrophobicContact CG2-CB 4.29Å; R210-I212 PolarHBondContact O-N 2.99Å; R210-I226 WeakPolarHBondContact O-CA 3.28Å; R210-D227 IonicContact CZ-OD2 2.84Å; R210-D227 PolarHBondContact N-OD1 3.08Å; R210-D227 IonicContact NE-OD2 3.68Å; R210-D227 IonicContact NH1-OD2 2.74Å; R210-D227 IonicContact NH2-OD2 3.61Å; R210-D227 PolarHBondContact NH2-OD2 2.88Å; R210-D227 PolarHBondContact O-N 2.92Å; R210-E313 HydrophobicContact CB-CB 3.79Å; R210-E313 HydrophobicContact CB-CG 4.25Å; R210-E313 IonicContact CZ-OE2 3.71Å; R210-E313 VanDerWaalsContact CZ-OE2 3.22Å; R210-E313 IonicContact NE-OE2 2.68Å; R210-E313 PolarHBondContact NE-OE2 3.45Å; R210-E313 IonicContact NH2-OE2 3.47Å; R210-E313 PolarHBondContact NH2-OE2 2.89Å
211	I	94.6	Very high	93.3	Very high	8 Å²	8	19.6 Å²	19.6	4%	0.041	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	116.1	169.1	-60.5	-178.9	0	0	0	109	T176 M179 V204 V206 G214 H224 V225 I226	T176-I211 HydrophobicContact CG2-CD1 4.36Å; M179-I211 HydrophobicContact CE-CD1 4.28Å; M179-I211 HydrophobicContact SD-CD1 3.7Å; V204-I211 HydrophobicContact CB-CB 4.47Å; V204-I211 HydrophobicContact CB-CD1 3.98Å; V204-I211 HydrophobicContact CB-CG1 4.34Å; V204-I211 HydrophobicContact CG1-CD1 3.64Å; V204-I211 HydrophobicContact CG1-CG1 4.34Å; V204-I211 PolarHBondContact O-N 2.82Å; V206-I211 HydrophobicContact CG2-CD1 4.07Å; V206-I211 HydrophobicContact CG2-CG1 3.98Å; I211-G214 VanDerWaalsContact CG2-N 3.32Å; I211-H224 HydrophobicContact CD1-CB 4.13Å; I211-H224 HydrophobicContact CG1-CB 4.43Å; I211-H224 HydrophobicContact CG2-CB 4.17Å; I211-V225 CarbonylContact C-O 3.51Å; I211-V225 WeakPolarHBondContact CA-O 3.42Å; I211-I226 HydrophobicContact CG1-CG2 3.95Å
212	I	89.3	Confident	93.7	Very high	31 Å²	31	18.2 Å²	18.2	16%	0.159	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	-48.6	172.8	-47.6	174.1	0	0	0	109.7	R210 V225 D227	R210-I212 PolarHBondContact O-N 2.99Å; I212-V225 HydrophobicContact CD1-CG1 4.34Å; I212-V225 PolarHBondContact N-O 2.86Å; I212-D227 HydrophobicContact CD1-CB 3.8Å; I212-D227 HydrophobicContact CG1-CB 3.87Å
213	H	86.3	Confident	94.1	Very high	46 Å²	46	17.9 Å²	17.9	21%	0.213	10%	0.097	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	91	-175.9	-59.4	-46.8	0	0	0	110.2	H224 V225	H213-H224 WeakPolarHBondContact O-CA 3.42Å; H213-V225 HydrophobicContact CB-CB 4.12Å; H213-V225 HydrophobicContact CB-CG2 4.16Å; H213-V225 PolarHBondContact N-O 3.46Å; H213-V225 PolarHBondContact O-N 2.96Å
214	G	89.1	Confident	94.2	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	165.1	177.9	0	0	0	0	0	114.4	Y25 P81 I211 H224	Y25-G214 PolarHBondContact OH-N 2.89Å; P81-G214 WeakPolarHBondContact CB-O 3.44Å; I211-G214 VanDerWaalsContact CG2-N 3.32Å; G214-H224 VanDerWaalsContact CA-ND1 3.3Å; G214-H224 WeakPolarHBondContact CA-ND1 3.48Å
215	N	90.6	Very high	94.2	Very high	30 Å²	30	17.5 Å²	17.5	16%	0.16	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	64.6	33.2	174	-55.7	-36.2	0	0	0	115.6	M175 T176 I217 H224	M175-N215 WeakPolarHBondContact CA-OD1 3.46Å; M175-N215 WeakPolarHBondContact CB-OD1 3.31Å; M175-N215 HydrophobicContact CE-CB 4.02Å; T176-N215 PolarHBondContact N-OD1 2.87Å; T176-N215 PolarHBondContact OG1-ND2 2.87Å; N215-I217 PolarHBondContact O-N 2.94Å; N215-H224 PolarHBondContact N-CE1 2.89Å; N215-H224 PolarHBondContact N-ND1 2.84Å; N215-H224 PolarHBondContact OD1-CE1 3.36Å
216	Q	90.3	Very high	94.2	Very high	27 Å²	27	17.5 Å²	17.5	13%	0.126	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	105.8	177.3	-55.5	-80.9	31.5	0	0	108.5	T104 V108 V222 V223	T104-Q216 HydrophobicContact CG2-CB 4.33Å; V108-Q216 HydrophobicContact CG1-CB 3.66Å; V108-Q216 HydrophobicContact CG1-CG 3.5Å; Q216-V222 CarbonylContact O-C 3.54Å; Q216-V222 WeakPolarHBondContact O-CA 3.44Å; Q216-V222 WeakPolarHBondContact O-CG2 3.09Å; Q216-V223 HydrophobicContact CB-CB 4.28Å; Q216-V223 WeakPolarHBondContact CB-O 3.47Å; Q216-V223 PolarHBondContact N-O 2.99Å; Q216-V223 PolarHBondContact O-N 3.18Å
217	I	91.2	Very high	94.1	Very high	73 Å²	73	18.5 Å²	18.5	37%	0.374	10%	0.1	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	131.7	-167.8	-59.5	177.3	0	0	0	110.9	I98 M175 N215	I98-I217 HydrophobicContact CD1-CG2 4.39Å; I98-I217 HydrophobicContact CG2-CG2 4.21Å; M175-I217 HydrophobicContact CE-CD1 4.45Å; M175-I217 HydrophobicContact CE-CG1 4.18Å; N215-I217 PolarHBondContact O-N 2.94Å
218	A	92.6	Very high	94	Very high	3 Å²	3	21.9 Å²	21.9	3%	0.025	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	164.4	170.6	0	0	0	0	0	111.1	I98 E99 V101 N220 G221	I98-A218 VanDerWaalsContact CG2-C 3.49Å; E99-A218 CarbonylContact O-C 3.58Å; E99-A218 WeakPolarHBondContact O-CA 3.37Å; E99-A218 WeakPolarHBondContact O-CB 3.36Å; V101-A218 HydrophobicContact CB-CB 4.32Å; V101-A218 HydrophobicContact CG2-CB 3.52Å; A218-N220 VanDerWaalsContact C-N 3.31Å; A218-N220 PolarHBondContact O-N 2.72Å; A218-G221 PolarHBondContact N-O 2.77Å; A218-G221 PolarHBondContact O-N 3.17Å; A218-G221 VanDerWaalsContact O-O 3.12Å
219	T	94.9	Very high	94	Very high	99 Å²	99	22.4 Å²	22.4	61%	0.607	12%	0.115	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.3	-39	178.1	54.7	0	0	0	0	112.1	I98 E99 N100	I98-T219 HydrophobicContact CG2-CG2 3.91Å; I98-T219 WeakPolarHBondContact O-CG2 3.25Å; E99-T219 PolarHBondContact O-N 3.24Å; E99-T219 PolarHBondContact O-OG1 3.44Å; N100-T219 WeakPolarHBondContact CA-OG1 3.32Å
220	N	95.6	Very high	94	Very high	15 Å²	15	22.9 Å²	22.9	8%	0.08	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113	25.8	178.8	65.2	-17.9	0	0	0	112.6	N100 V101 I126 S128 T131 F132 A218	N100-N220 WeakPolarHBondContact CA-OD1 3.41Å; V101-N220 WeakPolarHBondContact CG2-OD1 3.32Å; V101-N220 PolarHBondContact N-OD1 3.11Å; I126-N220 PolarHBondContact O-ND2 3.18Å; S128-N220 PolarHBondContact O-ND2 3.3Å; T131-N220 CarbonylContact C-O 3.56Å; T131-N220 VanDerWaalsContact CA-O 3.28Å; T131-N220 WeakPolarHBondContact CA-O 3.17Å; F132-N220 WeakPolarHBondContact CD2-O 3.38Å; F132-N220 PolarHBondContact N-O 3.44Å; A218-N220 VanDerWaalsContact C-N 3.31Å; A218-N220 PolarHBondContact O-N 2.72Å
221	G	95.9	Very high	93.9	Very high	4 Å²	4	29.3 Å²	29.3	4%	0.041	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	165.5	-147.9	176.8	0	0	0	0	0	117.8	F132 A218	F132-G221 CarbonylContact O-C 3.55Å; F132-G221 WeakPolarHBondContact O-CA 3.18Å; A218-G221 PolarHBondContact N-O 2.77Å; A218-G221 PolarHBondContact O-N 3.17Å; A218-G221 VanDerWaalsContact O-O 3.12Å
222	V	95.7	Very high	93.8	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	142.9	174.8	62.5	0	0	0	0	110.6	F132 T133 V134 R173 L174 M175 Q216	F132-V222 PolarHBondContact O-N 3.17Å; T133-V222 WeakPolarHBondContact CA-O 3.43Å; T133-V222 HydrophobicContact CG2-CG1 3.97Å; T133-V222 WeakPolarHBondContact OG1-CG1 3.18Å; V134-V222 PolarHBondContact N-O 3.32Å; R173-V222 HydrophobicContact CG-CB 4.17Å; R173-V222 HydrophobicContact CG-CG1 3.82Å; L174-V222 WeakPolarHBondContact O-CG1 3.25Å; M175-V222 HydrophobicContact CE-CG2 4.38Å; M175-V222 HydrophobicContact SD-CB 4.09Å; M175-V222 HydrophobicContact SD-CG1 4.23Å; M175-V222 HydrophobicContact SD-CG2 3.83Å; Q216-V222 CarbonylContact O-C 3.54Å; Q216-V222 WeakPolarHBondContact O-CA 3.44Å; Q216-V222 WeakPolarHBondContact O-CG2 3.09Å
223	V	97.1	Very high	93.9	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	140.3	171.8	179.8	0	0	0	0	109.7	V101 T104 L105 V108 V134 A136 Q216	V101-V223 HydrophobicContact CG1-CG2 4.11Å; T104-V223 HydrophobicContact CG2-CB 4.04Å; T104-V223 HydrophobicContact CG2-CG2 3.69Å; L105-V223 HydrophobicContact CD2-CG1 4Å; L105-V223 HydrophobicContact CD2-CG2 4.24Å; V108-V223 HydrophobicContact CG2-CG1 3.99Å; V134-V223 WeakPolarHBondContact O-CA 3.46Å; A136-V223 HydrophobicContact CB-CG1 3.9Å; Q216-V223 HydrophobicContact CB-CB 4.28Å; Q216-V223 WeakPolarHBondContact CB-O 3.47Å; Q216-V223 PolarHBondContact N-O 2.99Å; Q216-V223 PolarHBondContact O-N 3.18Å
224	H	96.4	Very high	93.7	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	118.5	168.2	-53.4	-88	0	0	0	108.7	V134 F135 A136 L174 M179 I211 H213 G214 N215	V134-H224 PolarHBondContact O-N 2.54Å; F135-H224 CarbonylContact C-O 3.22Å; F135-H224 WeakPolarHBondContact CA-O 3.42Å; F135-H224 HydrophobicContact CD1-CB 4.19Å; A136-H224 PolarHBondContact N-O 3.42Å; L174-H224 PolarHBondContact O-CE1 3Å; L174-H224 PolarHBondContact O-NE2 2.83Å; M179-H224 VanDerWaalsContact CE-NE2 3.31Å; M179-H224 WeakPolarHBondContact CE-NE2 3.35Å; I211-H224 HydrophobicContact CD1-CB 4.13Å; I211-H224 HydrophobicContact CG1-CB 4.43Å; I211-H224 HydrophobicContact CG2-CB 4.17Å; H213-H224 WeakPolarHBondContact O-CA 3.42Å; G214-H224 VanDerWaalsContact CA-ND1 3.3Å; G214-H224 WeakPolarHBondContact CA-ND1 3.48Å; N215-H224 PolarHBondContact N-CE1 2.89Å; N215-H224 PolarHBondContact N-ND1 2.84Å; N215-H224 PolarHBondContact OD1-CE1 3.36Å
225	V	95.9	Very high	94	Very high	4 Å²	4	36 Å²	36	2%	0.024	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	124.4	178	-173	0	0	0	0	109.4	V108 A136 I211 I212 H213	V108-V225 HydrophobicContact CB-CG2 3.75Å; V108-V225 HydrophobicContact CG2-CG2 3.46Å; V108-V225 VanDerWaalsContact CG2-CG2 3.46Å; A136-V225 CarbonylContact O-C 3.55Å; A136-V225 VanDerWaalsContact O-CA 3.25Å; A136-V225 WeakPolarHBondContact O-CA 3.36Å; I211-V225 CarbonylContact C-O 3.51Å; I211-V225 WeakPolarHBondContact CA-O 3.42Å; I212-V225 HydrophobicContact CD1-CG1 4.34Å; I212-V225 PolarHBondContact N-O 2.86Å; H213-V225 HydrophobicContact CB-CB 4.12Å; H213-V225 HydrophobicContact CB-CG2 4.16Å; H213-V225 PolarHBondContact N-O 3.46Å; H213-V225 PolarHBondContact O-N 2.96Å
226	I	97.1	Very high	94.3	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	155	178.4	61.2	171.1	0	0	0	112.2	F135 A136 P137 S138 V206 A209 R210 I211 R228 I230	F135-I226 HydrophobicContact CB-CD1 4.13Å; F135-I226 HydrophobicContact CB-CG2 4.4Å; F135-I226 WeakPolarHBondContact O-CD1 3.09Å; A136-I226 PolarHBondContact O-N 3.49Å; P137-I226 HydrophobicContact CB-CG1 4.5Å; P137-I226 HydrophobicContact CG-CG1 4.43Å; S138-I226 PolarHBondContact N-O 2.9Å; V206-I226 HydrophobicContact CG2-CG2 4.21Å; A209-I226 HydrophobicContact CB-CB 4.23Å; A209-I226 HydrophobicContact CB-CD1 4.07Å; R210-I226 WeakPolarHBondContact O-CA 3.28Å; I211-I226 HydrophobicContact CG1-CG2 3.95Å; I226-R228 WeakPolarHBondContact CD1-O 3.42Å; I226-R228 WeakPolarHBondContact CG1-O 3.43Å; I226-I230 HydrophobicContact CD1-CG2 3.85Å
227	D	94.9	Very high	94.7	Very high	22 Å²	22	34.2 Å²	34.2	12%	0.118	19%	0.186	C	C	.	.	S	Bend	trans	-90.5	9.4	-175	73.7	-7.5	0	0	0	115.9	R210 I212	R210-D227 IonicContact CZ-OD2 2.84Å; R210-D227 PolarHBondContact N-OD1 3.08Å; R210-D227 IonicContact NE-OD2 3.68Å; R210-D227 IonicContact NH1-OD2 2.74Å; R210-D227 IonicContact NH2-OD2 3.61Å; R210-D227 PolarHBondContact NH2-OD2 2.88Å; R210-D227 PolarHBondContact O-N 2.92Å; I212-D227 HydrophobicContact CD1-CB 3.8Å; I212-D227 HydrophobicContact CG1-CB 3.87Å
228	R	95.6	Very high	95.1	Very high	83 Å²	83	33 Å²	33	31%	0.313	18%	0.178	S	C	.	.	S	Bend	trans	-152.2	148.1	175	-149.1	-179.6	-55.7	-174.6	7.4	110.7	A209 I226 I230 D350	A209-R228 HydrophobicContact CB-CB 3.67Å; I226-R228 WeakPolarHBondContact CD1-O 3.42Å; I226-R228 WeakPolarHBondContact CG1-O 3.43Å; R228-I230 PolarHBondContact O-N 2.83Å; R228-D350 IonicContact CZ-OD2 2.64Å; R228-D350 IonicContact NH1-OD2 2.78Å; R228-D350 PolarHBondContact NH1-OD2 2.93Å; R228-D350 IonicContact NH2-OD2 3.38Å; R228-D350 PolarHBondContact NH2-OD2 3.01Å
229	V	97.6	Very high	95.3	Very high	13 Å²	13	36.4 Å²	36.4	8%	0.079	20%	0.196	C	C	.	.			trans	-70.3	117.8	164.6	-178.4	0	0	0	0	107.9	P137 A141 W142 L145	P137-V229 HydrophobicContact CB-CG2 3.87Å; P137-V229 HydrophobicContact CG-CB 4.4Å; P137-V229 HydrophobicContact CG-CG2 3.97Å; A141-V229 WeakPolarHBondContact O-CG2 3.13Å; W142-V229 HydrophobicContact CD2-CG2 3.55Å; W142-V229 HydrophobicContact CE3-CG2 3.53Å; W142-V229 HydrophobicContact CG-CG2 4.12Å; W142-V229 HydrophobicContact CH2-CG1 3.9Å; W142-V229 HydrophobicContact CH2-CG2 4.1Å; W142-V229 HydrophobicContact CZ2-CG1 4.43Å; W142-V229 HydrophobicContact CZ2-CG2 4.11Å; W142-V229 HydrophobicContact CZ3-CG1 3.96Å; W142-V229 HydrophobicContact CZ3-CG2 3.82Å; L145-V229 HydrophobicContact CD1-CB 4.46Å; L145-V229 HydrophobicContact CD2-CG2 4.38Å
230	I	97.3	Very high	95.5	Very high	10 Å²	10	33.3 Å²	33.3	5%	0.051	17%	0.173	C	C	.	.			trans	-81.2	155	178.3	62.3	166.4	0	0	0	110.8	Y167 H168 I194 V206 N207 A209 I226 R228	Y167-I230 HydrophobicContact CD1-CD1 3.97Å; Y167-I230 HydrophobicContact CD1-CG1 4.01Å; Y167-I230 HydrophobicContact CE1-CB 4.44Å; Y167-I230 HydrophobicContact CE1-CD1 3.75Å; Y167-I230 HydrophobicContact CE1-CG1 4.01Å; H168-I230 PolarHBondContact CE1-O 2.89Å; H168-I230 WeakPolarHBondContact NE2-CG1 3.19Å; H168-I230 PolarHBondContact NE2-N 3.08Å; I194-I230 HydrophobicContact CG2-CD1 4.34Å; V206-I230 HydrophobicContact CG1-CD1 4.08Å; V206-I230 WeakPolarHBondContact O-CG2 3.37Å; N207-I230 HydrophobicContact CB-CB 4.11Å; N207-I230 HydrophobicContact CB-CG2 3.86Å; A209-I230 HydrophobicContact CB-CG2 3.68Å; I226-I230 HydrophobicContact CD1-CG2 3.85Å; R228-I230 PolarHBondContact O-N 2.83Å
231	R	93.7	Very high	95.6	Very high	147 Å²	147	32.7 Å²	32.7	56%	0.555	17%	0.17	S	C	*	.			trans	-125.7	152	179.6	-63.5	-178	179.6	-170.7	-2.1	110.3	Y167 N207 V233	Y167-R231 WeakPolarHBondContact CE1-O 3.09Å; N207-R231 PolarHBondContact ND2-O 2.88Å; R231-V233 PolarHBondContact O-N 3.32Å
232	S	92.1	Very high	95.6	Very high	55 Å²	55	37.4 Å²	37.4	39%	0.385	19%	0.191	S	C	.	.			trans	-52.8	130.7	172	51.9	0	0	0	0	111.5
233	V	91.8	Very high	95.7	Very high	26 Å²	26	41.3 Å²	41.3	16%	0.158	22%	0.218	C	C	.	.			trans	-102.9	114.2	178.7	179.4	0	0	0	0	108.8	F195 R231 V352 A353	F195-V233 HydrophobicContact CD2-CG2 4.31Å; F195-V233 HydrophobicContact CE2-CB 3.93Å; F195-V233 HydrophobicContact CE2-CG1 4.1Å; F195-V233 HydrophobicContact CE2-CG2 4.21Å; R231-V233 PolarHBondContact O-N 3.32Å; V233-V352 HydrophobicContact CG2-CB 4.05Å; V233-V352 HydrophobicContact CG2-CG1 3.73Å; V233-A353 VanDerWaalsContact CG1-C 3.46Å
234	T	82.8	Confident	95.7	Very high	124 Å²	124	44.1 Å²	44.1	76%	0.761	23%	0.231	S	C	*	.			trans	-114	-3.7	-168.8	55.1	0	0	0	0	114.9
235	G	94.5	Very high	95.7	Very high	20 Å²	20	52.2 Å²	52.2	21%	0.206	27%	0.269	C	S	.	.			trans	-146.2	162.8	-176.9	0	0	0	0	0	113.5	A353 S354	G235-A353 WeakPolarHBondContact O-CA 3.41Å; G235-S354 PolarHBondContact O-N 2.87Å; G235-S354 PolarHBondContact O-OG 3.47Å
236	T	98	Very high	95.8	Very high	21 Å²	21	55.4 Å²	55.4	13%	0.129	28%	0.283	C	S	.	.			trans	-80.4	175.2	171.4	66.9	0	0	0	0	111.5	K238 D239 Y240 S354 N355	T236-K238 VanDerWaalsContact C-N 3.25Å; T236-K238 PolarHBondContact O-N 2.83Å; T236-K238 PolarHBondContact OG1-N 2.72Å; T236-D239 WeakPolarHBondContact CA-OD2 3.49Å; T236-D239 VanDerWaalsContact CB-OD2 3.3Å; T236-D239 WeakPolarHBondContact CB-OD2 3.39Å; T236-D239 WeakPolarHBondContact CG2-OD2 3.32Å; T236-D239 PolarHBondContact N-OD2 3.48Å; T236-D239 PolarHBondContact O-N 2.84Å; T236-D239 VanDerWaalsContact OG1-CG 3.27Å; T236-D239 PolarHBondContact OG1-N 3.15Å; T236-D239 PolarHBondContact OG1-OD2 3.33Å; T236-Y240 PolarHBondContact O-N 3Å; T236-S354 WeakPolarHBondContact CG2-OG 3.49Å; T236-S354 PolarHBondContact N-OG 2.98Å; T236-N355 WeakPolarHBondContact CA-OD1 3.43Å
237	I	98.4	Very high	95.9	Very high	0 Å²	0	55.4 Å²	55.4	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-59.6	-37.8	171.4	-66.4	175.6	0	0	0	111.4	Y240 L241 L263 F269 L271 A353 N355 I358	I237-Y240 PolarHBondContact O-N 3.37Å; I237-L241 HydrophobicContact CG2-CD1 4.41Å; I237-L241 WeakPolarHBondContact O-CG 3.21Å; I237-L241 PolarHBondContact O-N 3.12Å; I237-L241 VanDerWaalsContact O-N 3.09Å; I237-L263 HydrophobicContact CB-CB 4.31Å; I237-L263 HydrophobicContact CG2-CB 4.12Å; I237-L263 HydrophobicContact CG2-CD1 4.13Å; I237-L263 HydrophobicContact CG2-CD2 4.23Å; I237-L263 HydrophobicContact CG2-CG 4.39Å; I237-F269 HydrophobicContact CD1-CB 3.67Å; I237-F269 HydrophobicContact CD1-CD2 4.35Å; I237-F269 HydrophobicContact CD1-CG 4.46Å; I237-L271 HydrophobicContact CD1-CB 4.34Å; I237-L271 HydrophobicContact CG2-CB 4.25Å; I237-L271 HydrophobicContact CG2-CD2 3.49Å; I237-L271 VanDerWaalsContact CG2-CD2 3.49Å; I237-L271 HydrophobicContact CG2-CG 4.49Å; I237-A353 HydrophobicContact CG1-CB 3.73Å; I237-N355 WeakPolarHBondContact CG1-OD1 3.13Å; I237-N355 PolarHBondContact N-OD1 3.5Å; I237-I358 HydrophobicContact CB-CD1 4.24Å; I237-I358 HydrophobicContact CD1-CG1 4.4Å; I237-I358 HydrophobicContact CG1-CD1 4.05Å; I237-I358 HydrophobicContact CG1-CG1 3.9Å; I237-I358 HydrophobicContact CG2-CD1 3.96Å; I237-I358 HydrophobicContact CG2-CG1 4.22Å
238	K	98.4	Very high	96	Very high	47 Å²	47	57.3 Å²	57.3	20%	0.204	30%	0.299	C	S	.	.	H	α-helix	trans	-58.3	-51.4	173.6	170.4	175.5	-177.2	177.9	0	111.5	T236 Y240 L241 E242 M260 D261 L263	T236-K238 VanDerWaalsContact C-N 3.25Å; T236-K238 PolarHBondContact O-N 2.83Å; T236-K238 PolarHBondContact OG1-N 2.72Å; K238-Y240 PolarHBondContact O-N 2.66Å; K238-L241 PolarHBondContact O-N 3.38Å; K238-E242 WeakPolarHBondContact CE-OE1 3.47Å; K238-E242 VanDerWaalsContact CE-OE2 3.26Å; K238-E242 WeakPolarHBondContact CE-OE2 3.39Å; K238-E242 HydrophobicContact CG-CG 4.31Å; K238-E242 IonicContact NZ-OE1 3.71Å; K238-E242 PolarHBondContact O-N 2.98Å; K238-M260 HydrophobicContact CB-SD 4.39Å; K238-M260 HydrophobicContact CD-CG 3.96Å; K238-M260 HydrophobicContact CD-SD 4.3Å; K238-M260 HydrophobicContact CG-CG 4.17Å; K238-M260 HydrophobicContact CG-SD 3.85Å; K238-D261 IonicContact NZ-OD1 2.74Å; K238-L263 HydrophobicContact CB-CB 4.17Å; K238-L263 PolarHBondContact N-O 3.03Å
239	D	98.1	Very high	96	Very high	75 Å²	75	55.4 Å²	55.4	40%	0.401	30%	0.298	S	S	.	.	H	α-helix	trans	-62	-31.9	-175.7	-53	-59.8	0	0	0	111.9	T236 S243	T236-D239 WeakPolarHBondContact CA-OD2 3.49Å; T236-D239 VanDerWaalsContact CB-OD2 3.3Å; T236-D239 WeakPolarHBondContact CB-OD2 3.39Å; T236-D239 WeakPolarHBondContact CG2-OD2 3.32Å; T236-D239 PolarHBondContact N-OD2 3.48Å; T236-D239 PolarHBondContact O-N 2.84Å; T236-D239 VanDerWaalsContact OG1-CG 3.27Å; T236-D239 PolarHBondContact OG1-N 3.15Å; T236-D239 PolarHBondContact OG1-OD2 3.33Å; D239-S243 WeakPolarHBondContact O-CB 3.47Å; D239-S243 PolarHBondContact O-N 2.95Å; D239-S243 PolarHBondContact O-OG 2.95Å
240	Y	97.8	Very high	96	Very high	34 Å²	34	54.9 Å²	54.9	13%	0.133	30%	0.295	C	S	.	.	H	α-helix	trans	-70.2	-44.5	173.1	-173.4	-99.1	0	0	0	112.6	T236 I237 K238 E242 S243 E244 L247 K348 I351 I358 L360	T236-Y240 PolarHBondContact O-N 3Å; I237-Y240 PolarHBondContact O-N 3.37Å; K238-Y240 PolarHBondContact O-N 2.66Å; Y240-E242 VanDerWaalsContact C-N 3.29Å; Y240-E242 PolarHBondContact O-N 3.28Å; Y240-S243 PolarHBondContact O-N 3.4Å; Y240-S243 PolarHBondContact O-OG 3.25Å; Y240-E244 HydrophobicContact CD1-CG 4.17Å; Y240-E244 HydrophobicContact CD2-CG 3.82Å; Y240-E244 HydrophobicContact CE1-CG 3.87Å; Y240-E244 HydrophobicContact CE2-CG 3.43Å; Y240-E244 VanDerWaalsContact CE2-CG 3.43Å; Y240-E244 WeakPolarHBondContact CE2-OE2 3.37Å; Y240-E244 HydrophobicContact CG-CG 4.16Å; Y240-E244 VanDerWaalsContact CZ-CD 3.4Å; Y240-E244 VanDerWaalsContact CZ-CG 3.47Å; Y240-E244 WeakPolarHBondContact O-CG 3.49Å; Y240-E244 PolarHBondContact O-N 2.85Å; Y240-E244 VanDerWaalsContact O-N 3.13Å; Y240-E244 VanDerWaalsContact OH-CD 3.27Å; Y240-E244 PolarHBondContact OH-OE2 2.8Å; Y240-L247 HydrophobicContact CD1-CD1 4.12Å; Y240-L247 HydrophobicContact CE1-CD1 3.73Å; Y240-K348 VanDerWaalsContact OH-CE 3.27Å; Y240-K348 WeakPolarHBondContact OH-CE 3.25Å; Y240-K348 PolarHBondContact OH-NZ 3.47Å; Y240-I351 HydrophobicContact CD1-CG2 4.45Å; Y240-I351 HydrophobicContact CD2-CG2 4.04Å; Y240-I351 HydrophobicContact CE1-CD1 4.01Å; Y240-I351 HydrophobicContact CE1-CG2 4.1Å; Y240-I351 HydrophobicContact CE2-CG2 3.71Å; Y240-I351 HydrophobicContact CG-CG2 4.4Å; Y240-I351 WeakPolarHBondContact OH-CD1 3.44Å; Y240-I358 HydrophobicContact CD1-CD1 3.25Å; Y240-I358 HydrophobicContact CE1-CD1 3.98Å; Y240-I358 HydrophobicContact CE1-CG2 4.47Å; Y240-I358 HydrophobicContact CG-CD1 3.72Å; Y240-L360 HydrophobicContact CE1-CD2 4.24Å
241	L	97.8	Very high	96.1	Very high	1 Å²	1	56 Å²	56	1%	0.005	30%	0.301	C	S	.	.	H	α-helix	trans	-63.9	-33.2	175.2	-69.3	-179.2	0	0	0	113.1	I237 K238 S243 L247 F250 N251 V254 L263 L271 A273	I237-L241 HydrophobicContact CG2-CD1 4.41Å; I237-L241 WeakPolarHBondContact O-CG 3.21Å; I237-L241 PolarHBondContact O-N 3.12Å; I237-L241 VanDerWaalsContact O-N 3.09Å; K238-L241 PolarHBondContact O-N 3.38Å; L241-S243 VanDerWaalsContact C-N 3.3Å; L241-L247 HydrophobicContact CD2-CB 4.24Å; L241-L247 HydrophobicContact CD2-CD1 3.7Å; L241-F250 HydrophobicContact CD1-CD1 4.26Å; L241-F250 HydrophobicContact CD1-CE1 4.24Å; L241-F250 HydrophobicContact CD2-CD1 3.94Å; L241-F250 HydrophobicContact CD2-CE1 4.47Å; L241-N251 PolarHBondContact O-ND2 3.06Å; L241-V254 HydrophobicContact CD1-CG2 4.23Å; L241-L263 HydrophobicContact CD1-CD1 3.53Å; L241-L271 HydrophobicContact CD1-CD2 3.99Å; L241-L271 HydrophobicContact CD2-CD2 4.13Å; L241-L271 HydrophobicContact CG-CD2 4.31Å; L241-A273 HydrophobicContact CD2-CB 4.48Å
242	E	97.1	Very high	96.2	Very high	104 Å²	104	52.6 Å²	52.6	49%	0.486	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-11.7	177.4	-70.5	-177.4	158.1	0	0	113.5	K238 Y240	K238-E242 WeakPolarHBondContact CE-OE1 3.47Å; K238-E242 VanDerWaalsContact CE-OE2 3.26Å; K238-E242 WeakPolarHBondContact CE-OE2 3.39Å; K238-E242 HydrophobicContact CG-CG 4.31Å; K238-E242 IonicContact NZ-OE1 3.71Å; K238-E242 PolarHBondContact O-N 2.98Å; Y240-E242 VanDerWaalsContact C-N 3.29Å; Y240-E242 PolarHBondContact O-N 3.28Å
243	S	96.7	Very high	96.4	Very high	81 Å²	81	50 Å²	50	57%	0.566	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.4	-21.2	-177.8	51.7	0	0	0	0	116.1	D239 Y240 L241	D239-S243 WeakPolarHBondContact O-CB 3.47Å; D239-S243 PolarHBondContact O-N 2.95Å; D239-S243 PolarHBondContact O-OG 2.95Å; Y240-S243 PolarHBondContact O-N 3.4Å; Y240-S243 PolarHBondContact O-OG 3.25Å; L241-S243 VanDerWaalsContact C-N 3.3Å
244	E	97.1	Very high	96.6	Very high	59 Å²	59	48.8 Å²	48.8	28%	0.276	27%	0.268	S	S	.	.			trans	-98.7	108.9	-175.1	-58.5	-100.1	126.3	0	0	112	Y240 E246 L247 K348	Y240-E244 HydrophobicContact CD1-CG 4.17Å; Y240-E244 HydrophobicContact CD2-CG 3.82Å; Y240-E244 HydrophobicContact CE1-CG 3.87Å; Y240-E244 HydrophobicContact CE2-CG 3.43Å; Y240-E244 VanDerWaalsContact CE2-CG 3.43Å; Y240-E244 WeakPolarHBondContact CE2-OE2 3.37Å; Y240-E244 HydrophobicContact CG-CG 4.16Å; Y240-E244 VanDerWaalsContact CZ-CD 3.4Å; Y240-E244 VanDerWaalsContact CZ-CG 3.47Å; Y240-E244 WeakPolarHBondContact O-CG 3.49Å; Y240-E244 PolarHBondContact O-N 2.85Å; Y240-E244 VanDerWaalsContact O-N 3.13Å; Y240-E244 VanDerWaalsContact OH-CD 3.27Å; Y240-E244 PolarHBondContact OH-OE2 2.8Å; E244-E246 HydrophobicContact CB-CG 4.49Å; E244-E246 PolarHBondContact O-N 2.86Å; E244-E246 VanDerWaalsContact O-N 3.16Å; E244-L247 HydrophobicContact CB-CD1 4.26Å; E244-L247 HydrophobicContact CB-CG 4.33Å; E244-L247 PolarHBondContact O-N 2.78Å; E244-K348 IonicContact OE2-NZ 2.65Å; E244-K348 PolarHBondContact OE2-NZ 2.98Å
245	E	97.5	Very high	97.3	Very high	170 Å²	170	49.8 Å²	49.8	79%	0.794	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-57.6	-31.4	-177.5	-61.1	-177.2	169.4	0	0	113.4	L247 S248 N276	E245-L247 PolarHBondContact O-N 3.21Å; E245-L247 VanDerWaalsContact O-N 3.1Å; E245-S248 PolarHBondContact O-N 3.44Å; E245-S248 PolarHBondContact O-OG 2.05Å; E245-N276 PolarHBondContact O-ND2 2.66Å
246	E	97.8	Very high	97.3	Very high	71 Å²	71	51.9 Å²	51.9	33%	0.332	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-64.4	-9.3	177.4	70.3	-178.2	174.1	0	0	114	E244 T275 N276 K348 L360	E244-E246 HydrophobicContact CB-CG 4.49Å; E244-E246 PolarHBondContact O-N 2.86Å; E244-E246 VanDerWaalsContact O-N 3.16Å; E246-T275 CarbonylContact O-C 3.58Å; E246-T275 VanDerWaalsContact O-CA 3.3Å; E246-T275 WeakPolarHBondContact O-CA 3.46Å; E246-N276 VanDerWaalsContact O-CG 3.31Å; E246-N276 PolarHBondContact O-N 2.85Å; E246-N276 PolarHBondContact O-ND2 3.37Å; E246-N276 PolarHBondContact O-OD1 2.71Å; E246-K348 IonicContact OE1-NZ 3.35Å; E246-K348 PolarHBondContact OE1-NZ 3.23Å; E246-L360 HydrophobicContact CG-CD1 4.34Å; E246-L360 WeakPolarHBondContact OE1-CD1 3.33Å
247	L	98.3	Very high	97.2	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.262	C	S	.	.	G	3₁₀ helix	trans	-117	8.1	-180	-54.3	-178.3	0	0	0	113.7	Y240 L241 E244 E245 S249 F250 N251 A273 T275 L360	Y240-L247 HydrophobicContact CD1-CD1 4.12Å; Y240-L247 HydrophobicContact CE1-CD1 3.73Å; L241-L247 HydrophobicContact CD2-CB 4.24Å; L241-L247 HydrophobicContact CD2-CD1 3.7Å; E244-L247 HydrophobicContact CB-CD1 4.26Å; E244-L247 HydrophobicContact CB-CG 4.33Å; E244-L247 PolarHBondContact O-N 2.78Å; E245-L247 PolarHBondContact O-N 3.21Å; E245-L247 VanDerWaalsContact O-N 3.1Å; L247-S249 VanDerWaalsContact C-N 3.3Å; L247-S249 PolarHBondContact O-N 3.41Å; L247-F250 PolarHBondContact O-N 3.43Å; L247-N251 WeakPolarHBondContact O-CB 3.47Å; L247-N251 PolarHBondContact O-N 2.85Å; L247-A273 HydrophobicContact CD1-CB 4.12Å; L247-A273 HydrophobicContact CD2-CB 4.2Å; L247-T275 HydrophobicContact CD2-CG2 4.19Å; L247-L360 HydrophobicContact CD1-CD2 3.93Å; L247-L360 HydrophobicContact CD2-CD1 4.31Å; L247-L360 HydrophobicContact CD2-CD2 4.04Å
248	S	97.8	Very high	97.1	Very high	63 Å²	63	53.9 Å²	53.9	44%	0.441	29%	0.293	S	S	.	.	H	α-helix	trans	-57.4	-35.8	-174.1	49.1	0	0	0	0	114.1	E245 N251 N252 N276	E245-S248 PolarHBondContact O-N 3.44Å; E245-S248 PolarHBondContact O-OG 2.05Å; S248-N251 PolarHBondContact O-N 2.88Å; S248-N252 PolarHBondContact O-N 2.83Å; S248-N252 VanDerWaalsContact O-N 3.07Å; S248-N276 PolarHBondContact N-OD1 2.7Å; S248-N276 PolarHBondContact OG-ND2 2.86Å; S248-N276 PolarHBondContact OG-OD1 2.7Å
249	S	96.3	Very high	97	Very high	42 Å²	42	52 Å²	52	29%	0.294	29%	0.285	S	S	.	.	H	α-helix	trans	-63.6	-41.3	172.4	-68.8	0	0	0	0	112.8	L247 A253 N276	L247-S249 VanDerWaalsContact C-N 3.3Å; L247-S249 PolarHBondContact O-N 3.41Å; S249-A253 PolarHBondContact O-N 2.95Å; S249-N276 PolarHBondContact N-OD1 2.89Å; S249-N276 PolarHBondContact OG-OD1 2.79Å
250	F	97.7	Very high	97	Very high	2 Å²	2	49.1 Å²	49.1	1%	0.009	27%	0.269	C	S	.	.	H	α-helix	trans	-71.2	-40.8	176.3	-170.5	-112.3	0	0	0	112.1	L241 L247 N252 A253 V254 L271 A273 P274 F279 V301 H304	L241-F250 HydrophobicContact CD1-CD1 4.26Å; L241-F250 HydrophobicContact CD1-CE1 4.24Å; L241-F250 HydrophobicContact CD2-CD1 3.94Å; L241-F250 HydrophobicContact CD2-CE1 4.47Å; L247-F250 PolarHBondContact O-N 3.43Å; F250-N252 VanDerWaalsContact C-N 3.33Å; F250-N252 PolarHBondContact O-N 3.39Å; F250-A253 WeakPolarHBondContact O-CB 3.37Å; F250-A253 PolarHBondContact O-N 2.83Å; F250-V254 HydrophobicContact CD1-CG2 3.72Å; F250-V254 HydrophobicContact CE1-CG2 3.34Å; F250-V254 HydrophobicContact CE2-CG2 4.23Å; F250-V254 HydrophobicContact CG-CG2 4.3Å; F250-V254 HydrophobicContact CZ-CG2 3.64Å; F250-V254 VanDerWaalsContact O-CG2 3.32Å; F250-V254 WeakPolarHBondContact O-CG2 3.3Å; F250-V254 PolarHBondContact O-N 2.82Å; F250-L271 HydrophobicContact CE1-CD1 3.79Å; F250-L271 HydrophobicContact CE1-CD2 3.99Å; F250-L271 HydrophobicContact CE1-CG 4.36Å; F250-L271 HydrophobicContact CZ-CD1 3.88Å; F250-A273 HydrophobicContact CD1-CB 4.49Å; F250-P274 HydrophobicContact CB-CG 4.27Å; F250-P274 VanDerWaalsContact CD2-CD 3.49Å; F250-P274 HydrophobicContact CD2-CG 3.36Å; F250-P274 HydrophobicContact CE2-CG 3.87Å; F250-P274 HydrophobicContact CG-CG 3.93Å; F250-F279 HydrophobicContact CB-CE2 3.83Å; F250-F279 HydrophobicContact CB-CZ 4.27Å; F250-F279 HydrophobicContact CD2-CE2 4.19Å; F250-F279 HydrophobicContact CD2-CZ 4.05Å; F250-V301 HydrophobicContact CE2-CG2 4.49Å; F250-V301 HydrophobicContact CZ-CG1 4.41Å; F250-H304 HydrophobicContact CE2-CB 4.43Å; F250-H304 HydrophobicContact CZ-CB 4.18Å
251	N	97.9	Very high	96.9	Very high	35 Å²	35	52.9 Å²	52.9	19%	0.187	29%	0.292	C	S	.	.	H	α-helix	trans	-56.3	-46.6	176.9	-177.3	1.5	0	0	0	111	L241 L247 S248 A253 V254 F255 M260	L241-N251 PolarHBondContact O-ND2 3.06Å; L247-N251 WeakPolarHBondContact O-CB 3.47Å; L247-N251 PolarHBondContact O-N 2.85Å; S248-N251 PolarHBondContact O-N 2.88Å; N251-A253 PolarHBondContact O-N 3.04Å; N251-V254 PolarHBondContact O-N 2.91Å; N251-F255 WeakPolarHBondContact O-CB 3.17Å; N251-F255 PolarHBondContact O-N 2.87Å; N251-M260 WeakPolarHBondContact OD1-CE 3.06Å
252	N	95.8	Very high	96.9	Very high	75 Å²	75	56.2 Å²	56.2	40%	0.401	31%	0.307	S	S	.	.	H	α-helix	trans	-61	-40.8	173.4	-176.4	53.5	0	0	0	112.9	S248 F250 F255 I256	S248-N252 PolarHBondContact O-N 2.83Å; S248-N252 VanDerWaalsContact O-N 3.07Å; F250-N252 VanDerWaalsContact C-N 3.33Å; F250-N252 PolarHBondContact O-N 3.39Å; N252-F255 PolarHBondContact O-N 2.87Å; N252-I256 WeakPolarHBondContact O-CG1 3.32Å; N252-I256 PolarHBondContact O-N 2.91Å
253	A	96.3	Very high	96.9	Very high	1 Å²	1	51.4 Å²	51.4	1%	0.008	28%	0.284	C	S	.	.	H	α-helix	trans	-64.7	-41.5	175.8	0	0	0	0	0	112.6	S249 F250 N251 F255 I256 A257 F279 F291 I297 V301	S249-A253 PolarHBondContact O-N 2.95Å; F250-A253 WeakPolarHBondContact O-CB 3.37Å; F250-A253 PolarHBondContact O-N 2.83Å; N251-A253 PolarHBondContact O-N 3.04Å; A253-F255 VanDerWaalsContact C-N 3.32Å; A253-F255 PolarHBondContact O-N 2.85Å; A253-I256 PolarHBondContact O-N 2.68Å; A253-A257 VanDerWaalsContact O-CB 3.23Å; A253-A257 WeakPolarHBondContact O-CB 2.99Å; A253-A257 PolarHBondContact O-N 3.18Å; A253-F279 HydrophobicContact CB-CZ 4.4Å; A253-F291 HydrophobicContact CB-CE1 4.49Å; A253-I297 HydrophobicContact CB-CD1 4.14Å; A253-V301 HydrophobicContact CB-CG2 4.15Å
254	V	97.6	Very high	97	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-62.8	-37.6	175	171.4	0	0	0	0	111.9	L241 F250 N251 G258 V259 M260 L263 V301	L241-V254 HydrophobicContact CD1-CG2 4.23Å; F250-V254 HydrophobicContact CD1-CG2 3.72Å; F250-V254 HydrophobicContact CE1-CG2 3.34Å; F250-V254 HydrophobicContact CE2-CG2 4.23Å; F250-V254 HydrophobicContact CG-CG2 4.3Å; F250-V254 HydrophobicContact CZ-CG2 3.64Å; F250-V254 VanDerWaalsContact O-CG2 3.32Å; F250-V254 WeakPolarHBondContact O-CG2 3.3Å; F250-V254 PolarHBondContact O-N 2.82Å; N251-V254 PolarHBondContact O-N 2.91Å; V254-G258 PolarHBondContact O-N 3.37Å; V254-V259 HydrophobicContact CG1-CB 4.24Å; V254-V259 PolarHBondContact O-N 3.5Å; V254-M260 HydrophobicContact CB-CE 3.9Å; V254-M260 HydrophobicContact CG1-CB 4.15Å; V254-M260 HydrophobicContact CG1-CE 3.52Å; V254-M260 HydrophobicContact CG1-SD 3.79Å; V254-M260 PolarHBondContact O-N 3.11Å; V254-L263 HydrophobicContact CG1-CD1 3.68Å; V254-L263 HydrophobicContact CG2-CD1 4.36Å; V254-V301 HydrophobicContact CB-CG1 4.46Å; V254-V301 HydrophobicContact CG2-CG1 3.8Å; V254-V301 HydrophobicContact CG2-CG2 4.44Å
255	F	96	Very high	96.9	Very high	144 Å²	144	51.1 Å²	51.1	63%	0.632	28%	0.28	S	S	*	.	H	α-helix	trans	-64.8	-52	174.5	178.1	-98.4	0	0	0	111.4	N251 N252 A253 A257 G258 M260	N251-F255 WeakPolarHBondContact O-CB 3.17Å; N251-F255 PolarHBondContact O-N 2.87Å; N252-F255 PolarHBondContact O-N 2.87Å; A253-F255 VanDerWaalsContact C-N 3.32Å; A253-F255 PolarHBondContact O-N 2.85Å; F255-A257 VanDerWaalsContact C-N 3.32Å; F255-A257 PolarHBondContact O-N 3.41Å; F255-G258 PolarHBondContact O-N 3.02Å; F255-M260 HydrophobicContact CB-CE 4.33Å
256	I	95	Very high	96.8	Very high	64 Å²	64	48.8 Å²	48.8	33%	0.328	28%	0.28	S	S	.	.	H	α-helix	trans	-65	-35.2	-179.8	-65	166.2	0	0	0	111.7	N252 A253 G258 F291 I297	N252-I256 WeakPolarHBondContact O-CG1 3.32Å; N252-I256 PolarHBondContact O-N 2.91Å; A253-I256 PolarHBondContact O-N 2.68Å; I256-G258 PolarHBondContact O-N 3.17Å; I256-F291 HydrophobicContact CB-CD1 4.45Å; I256-F291 HydrophobicContact CD1-CD1 3.46Å; I256-F291 VanDerWaalsContact CD1-CD1 3.46Å; I256-F291 HydrophobicContact CD1-CE1 3.52Å; I256-F291 HydrophobicContact CD1-CG 4.3Å; I256-F291 HydrophobicContact CD1-CZ 4.35Å; I256-F291 HydrophobicContact CG2-CD1 4.2Å; I256-I297 HydrophobicContact CB-CD1 4.12Å; I256-I297 HydrophobicContact CG2-CD1 4.01Å; I256-I297 HydrophobicContact CG2-CG2 4.37Å
257	A	96.1	Very high	96.6	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.008	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-9.7	173.4	0	0	0	0	0	114.8	A253 F255 V259 I297 K298 V301	A253-A257 VanDerWaalsContact O-CB 3.23Å; A253-A257 WeakPolarHBondContact O-CB 2.99Å; A253-A257 PolarHBondContact O-N 3.18Å; F255-A257 VanDerWaalsContact C-N 3.32Å; F255-A257 PolarHBondContact O-N 3.41Å; A257-V259 HydrophobicContact CB-CB 4.43Å; A257-V259 HydrophobicContact CB-CG2 3.83Å; A257-V259 PolarHBondContact O-N 3.07Å; A257-I297 HydrophobicContact CB-CG1 4.38Å; A257-I297 HydrophobicContact CB-CG2 4.49Å; A257-K298 HydrophobicContact CB-CB 4.47Å; A257-V301 HydrophobicContact CB-CB 3.98Å; A257-V301 HydrophobicContact CB-CG1 4.33Å; A257-V301 HydrophobicContact CB-CG2 3.81Å
258	G	96.2	Very high	96.5	Very high	62 Å²	62	50.9 Å²	50.9	64%	0.639	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.7	24.4	-174.5	0	0	0	0	0	113.8	V254 F255 I256	V254-G258 PolarHBondContact O-N 3.37Å; F255-G258 PolarHBondContact O-N 3.02Å; I256-G258 PolarHBondContact O-N 3.17Å
259	V	97.3	Very high	96.5	Very high	9 Å²	9	48.6 Å²	48.6	6%	0.055	28%	0.281	C	S	.	.			trans	-93.7	-16.4	-176	176.5	0	0	0	0	112.1	V254 A257 D261 K262 L263 V301 T302	V254-V259 HydrophobicContact CG1-CB 4.24Å; V254-V259 PolarHBondContact O-N 3.5Å; A257-V259 HydrophobicContact CB-CB 4.43Å; A257-V259 HydrophobicContact CB-CG2 3.83Å; A257-V259 PolarHBondContact O-N 3.07Å; V259-D261 PolarHBondContact O-N 3.29Å; V259-K262 WeakPolarHBondContact O-CB 3.29Å; V259-K262 PolarHBondContact O-N 3.43Å; V259-L263 HydrophobicContact CG1-CG 4.26Å; V259-L263 PolarHBondContact O-N 2.85Å; V259-V301 HydrophobicContact CB-CG1 3.93Å; V259-V301 HydrophobicContact CG1-CG1 3.97Å; V259-V301 HydrophobicContact CG2-CG1 3.92Å; V259-T302 HydrophobicContact CG2-CG2 4.16Å
260	M	97	Very high	96.6	Very high	13 Å²	13	46.6 Å²	46.6	6%	0.064	27%	0.267	C	S	.	.	H	α-helix	trans	-51	-46.9	-171.9	-165.3	59	75.3	0	0	114.6	K238 N251 V254 F255 K262 L263 G264	K238-M260 HydrophobicContact CB-SD 4.39Å; K238-M260 HydrophobicContact CD-CG 3.96Å; K238-M260 HydrophobicContact CD-SD 4.3Å; K238-M260 HydrophobicContact CG-CG 4.17Å; K238-M260 HydrophobicContact CG-SD 3.85Å; N251-M260 WeakPolarHBondContact OD1-CE 3.06Å; V254-M260 HydrophobicContact CB-CE 3.9Å; V254-M260 HydrophobicContact CG1-CB 4.15Å; V254-M260 HydrophobicContact CG1-CE 3.52Å; V254-M260 HydrophobicContact CG1-SD 3.79Å; V254-M260 PolarHBondContact O-N 3.11Å; F255-M260 HydrophobicContact CB-CE 4.33Å; M260-K262 VanDerWaalsContact C-N 3.27Å; M260-K262 PolarHBondContact O-N 3.42Å; M260-L263 PolarHBondContact O-N 3.07Å; M260-L263 VanDerWaalsContact O-N 3.09Å; M260-G264 PolarHBondContact O-N 2.66Å
261	D	96.5	Very high	96.6	Very high	114 Å²	114	46.6 Å²	46.6	61%	0.61	27%	0.267	S	S	*	.	H	α-helix	trans	-65.2	-29.4	-178.3	-72.9	-21.8	0	0	0	112.9	K238 V259 L263 G264 Q265	K238-D261 IonicContact NZ-OD1 2.74Å; V259-D261 PolarHBondContact O-N 3.29Å; D261-L263 VanDerWaalsContact C-N 3.34Å; D261-G264 PolarHBondContact O-N 2.76Å; D261-Q265 WeakPolarHBondContact O-CG 3.09Å; D261-Q265 PolarHBondContact O-N 3.42Å; D261-Q265 PolarHBondContact O-NE2 3.25Å
262	K	96.9	Very high	96.7	Very high	71 Å²	71	44.9 Å²	44.9	31%	0.309	26%	0.258	S	S	.	.	H	α-helix	trans	-65.7	-38	174.2	-177.1	179.9	177.3	179.8	0	111.1	V259 M260 G264 Q265 F269 L305 E324	V259-K262 WeakPolarHBondContact O-CB 3.29Å; V259-K262 PolarHBondContact O-N 3.43Å; M260-K262 VanDerWaalsContact C-N 3.27Å; M260-K262 PolarHBondContact O-N 3.42Å; K262-G264 PolarHBondContact O-N 2.8Å; K262-Q265 PolarHBondContact O-N 3.33Å; K262-Q265 VanDerWaalsContact O-N 3.14Å; K262-F269 HydrophobicContact CG-CZ 4.19Å; K262-L305 HydrophobicContact CD-CD2 4.33Å; K262-E324 IonicContact NZ-OE2 3.69Å; K262-E324 PolarHBondContact NZ-OE2 2.8Å
263	L	97.8	Very high	96.8	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.01	24%	0.239	C	C	.	.	H	α-helix	trans	-72.8	-12.6	178	-57.2	-175.2	0	0	0	113.2	I237 K238 L241 V254 V259 M260 D261 L305 N355	I237-L263 HydrophobicContact CB-CB 4.31Å; I237-L263 HydrophobicContact CG2-CB 4.12Å; I237-L263 HydrophobicContact CG2-CD1 4.13Å; I237-L263 HydrophobicContact CG2-CD2 4.23Å; I237-L263 HydrophobicContact CG2-CG 4.39Å; K238-L263 HydrophobicContact CB-CB 4.17Å; K238-L263 PolarHBondContact N-O 3.03Å; L241-L263 HydrophobicContact CD1-CD1 3.53Å; V254-L263 HydrophobicContact CG1-CD1 3.68Å; V254-L263 HydrophobicContact CG2-CD1 4.36Å; V259-L263 HydrophobicContact CG1-CG 4.26Å; V259-L263 PolarHBondContact O-N 2.85Å; M260-L263 PolarHBondContact O-N 3.07Å; M260-L263 VanDerWaalsContact O-N 3.09Å; D261-L263 VanDerWaalsContact C-N 3.34Å; L263-L305 HydrophobicContact CD2-CD1 3.84Å; L263-L305 HydrophobicContact CD2-CD2 3.92Å; L263-N355 PolarHBondContact O-ND2 3.33Å
264	G	97.3	Very high	96.9	Very high	23 Å²	23	41.3 Å²	41.3	24%	0.237	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-9.8	168	0	0	0	0	0	115	M260 D261 K262	M260-G264 PolarHBondContact O-N 2.66Å; D261-G264 PolarHBondContact O-N 2.76Å; K262-G264 PolarHBondContact O-N 2.8Å
265	Q	96.6	Very high	97	Very high	112 Å²	112	41.4 Å²	41.4	52%	0.523	24%	0.239	S	C	.	.	S	Bend	trans	-78.1	150.7	178.8	-68.9	-46.1	-58	0	0	112.5	D261 K262 G267 N355	D261-Q265 WeakPolarHBondContact O-CG 3.09Å; D261-Q265 PolarHBondContact O-N 3.42Å; D261-Q265 PolarHBondContact O-NE2 3.25Å; K262-Q265 PolarHBondContact O-N 3.33Å; K262-Q265 VanDerWaalsContact O-N 3.14Å; Q265-G267 PolarHBondContact O-N 2.8Å; Q265-N355 WeakPolarHBondContact O-CB 3.5Å; Q265-N355 PolarHBondContact O-ND2 3.38Å
266	P	95.1	Very high	97	Very high	121 Å²	121	36.1 Å²	36.1	79%	0.786	22%	0.217	S	C	*	.	S	Bend	trans	-54.6	133.3	166.5	-23.6	34.2	0	0	0	111.5
267	G	93.4	Very high	97.2	Very high	35 Å²	35	37.9 Å²	37.9	36%	0.361	22%	0.224	S	C	.	.	S	Bend	trans	-176.7	-169.3	-173.7	0	0	0	0	0	112.7	Q265 N355	Q265-G267 PolarHBondContact O-N 2.8Å; G267-N355 CarbonylContact C-O 3.22Å; G267-N355 VanDerWaalsContact C-O 3.31Å; G267-N355 CarbonylContact O-C 3.56Å; G267-N355 WeakPolarHBondContact O-CA 3.38Å
268	Q	95.2	Very high	97.2	Very high	80 Å²	80	37.9 Å²	37.9	37%	0.374	22%	0.224	S	C	.	.			trans	-137.5	79.3	176.2	-83.6	177.5	44.6	0	0	108.4	N307 S308 V309 N355	Q268-N307 CarbonylContact O-C 3.51Å; Q268-S308 CarbonylContact O-C 3.27Å; Q268-S308 VanDerWaalsContact O-C 3.28Å; Q268-S308 WeakPolarHBondContact O-CA 3.17Å; Q268-S308 PolarHBondContact O-N 3.29Å; Q268-V309 HydrophobicContact CB-CG2 3.91Å; Q268-V309 HydrophobicContact CG-CG2 4.18Å; Q268-N355 WeakPolarHBondContact CA-O 3.49Å; Q268-N355 PolarHBondContact N-O 2.92Å
269	F	98	Very high	97.2	Very high	14 Å²	14	35.9 Å²	35.9	6%	0.061	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	156.4	-173.6	-56.6	-66	0	0	0	113.2	I237 K262 L305 L306 N307 S308 N355 G356 V357	I237-F269 HydrophobicContact CD1-CB 3.67Å; I237-F269 HydrophobicContact CD1-CD2 4.35Å; I237-F269 HydrophobicContact CD1-CG 4.46Å; K262-F269 HydrophobicContact CG-CZ 4.19Å; F269-L305 HydrophobicContact CB-CD1 3.94Å; F269-L305 HydrophobicContact CD1-CD1 4.17Å; F269-L305 HydrophobicContact CG-CD1 4.22Å; F269-L306 CarbonylContact C-O 3.52Å; F269-L306 VanDerWaalsContact CA-O 3.24Å; F269-L306 WeakPolarHBondContact CA-O 3.37Å; F269-N307 VanDerWaalsContact CE1-OD1 3.26Å; F269-N307 WeakPolarHBondContact CE1-OD1 3.27Å; F269-S308 CarbonylContact C-O 3.59Å; F269-N355 HydrophobicContact CD2-CB 4.34Å; F269-N355 VanDerWaalsContact CD2-O 3.31Å; F269-N355 WeakPolarHBondContact CD2-O 2.94Å; F269-N355 PolarHBondContact N-O 3.45Å; F269-G356 CarbonylContact O-C 3.58Å; F269-G356 WeakPolarHBondContact O-CA 3.44Å; F269-V357 PolarHBondContact O-N 3.01Å
270	T	98.6	Very high	97	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	124.5	153.3	-61	0	0	0	0	108.1	F272 L305 L306 S308 Q310 V357	T270-F272 HydrophobicContact CG2-CD2 4.16Å; T270-F272 HydrophobicContact CG2-CE2 3.63Å; T270-F272 HydrophobicContact CG2-CZ 3.91Å; T270-L305 CarbonylContact O-C 3.17Å; T270-L305 WeakPolarHBondContact O-CA 3.43Å; T270-L306 PolarHBondContact N-O 3.11Å; T270-L306 PolarHBondContact O-N 3.4Å; T270-S308 WeakPolarHBondContact CB-O 3.45Å; T270-S308 PolarHBondContact N-O 3.43Å; T270-S308 VanDerWaalsContact N-O 3.12Å; T270-S308 PolarHBondContact OG1-O 2.86Å; T270-Q310 HydrophobicContact CG2-CB 4.47Å; T270-Q310 PolarHBondContact OG1-N 2.9Å; T270-V357 CarbonylContact C-O 3.57Å; T270-V357 WeakPolarHBondContact CA-O 3.3Å; T270-V357 HydrophobicContact CG2-CG1 3.98Å
271	L	98.8	Very high	97	Very high	2 Å²	2	46.5 Å²	46.5	1%	0.01	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.7	170.9	177.4	66.7	0	0	0	109.6	I237 L241 F250 A273 H304 L305 V357 I358 H359	I237-L271 HydrophobicContact CD1-CB 4.34Å; I237-L271 HydrophobicContact CG2-CB 4.25Å; I237-L271 HydrophobicContact CG2-CD2 3.49Å; I237-L271 VanDerWaalsContact CG2-CD2 3.49Å; I237-L271 HydrophobicContact CG2-CG 4.49Å; L241-L271 HydrophobicContact CD1-CD2 3.99Å; L241-L271 HydrophobicContact CD2-CD2 4.13Å; L241-L271 HydrophobicContact CG-CD2 4.31Å; F250-L271 HydrophobicContact CE1-CD1 3.79Å; F250-L271 HydrophobicContact CE1-CD2 3.99Å; F250-L271 HydrophobicContact CE1-CG 4.36Å; F250-L271 HydrophobicContact CZ-CD1 3.88Å; L271-A273 HydrophobicContact CD2-CB 4.03Å; L271-A273 HydrophobicContact CG-CB 4.15Å; L271-H304 HydrophobicContact CD1-CB 4.22Å; L271-L305 HydrophobicContact CB-CD1 4.38Å; L271-L305 HydrophobicContact CD1-CD1 4.42Å; L271-V357 PolarHBondContact N-O 3Å; L271-I358 HydrophobicContact CB-CG1 4.4Å; L271-I358 HydrophobicContact CB-CG2 4.32Å; L271-I358 HydrophobicContact CD2-CG2 4.23Å; L271-I358 HydrophobicContact CG-CG2 4.35Å; L271-I358 CarbonylContact O-C 3.59Å; L271-I358 VanDerWaalsContact O-CA 3.31Å; L271-I358 WeakPolarHBondContact O-CA 3.38Å; L271-H359 PolarHBondContact O-N 3.07Å
272	F	98.8	Very high	96.7	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	100.1	163.3	-66.5	-84.4	0	0	0	107.9	T270 P274 H304 L306 I329 I331 L338 V340 H359 I361 L365	T270-F272 HydrophobicContact CG2-CD2 4.16Å; T270-F272 HydrophobicContact CG2-CE2 3.63Å; T270-F272 HydrophobicContact CG2-CZ 3.91Å; F272-P274 WeakPolarHBondContact O-CD 3.39Å; F272-H304 PolarHBondContact N-O 2.92Å; F272-H304 WeakPolarHBondContact O-CB 3.46Å; F272-H304 PolarHBondContact O-CD2 3.36Å; F272-L306 HydrophobicContact CE2-CD1 4.27Å; F272-L306 HydrophobicContact CE2-CG 4.5Å; F272-I329 HydrophobicContact CD2-CD1 4.12Å; F272-I329 HydrophobicContact CE2-CD1 3.85Å; F272-I331 HydrophobicContact CE2-CD1 3.72Å; F272-I331 HydrophobicContact CE2-CG1 4.37Å; F272-I331 HydrophobicContact CZ-CD1 3.53Å; F272-I331 HydrophobicContact CZ-CG1 3.98Å; F272-L338 HydrophobicContact CE1-CD2 4.19Å; F272-V340 HydrophobicContact CD1-CG2 3.82Å; F272-V340 HydrophobicContact CE1-CG2 3.65Å; F272-V340 HydrophobicContact CZ-CG2 4.26Å; F272-H359 CarbonylContact C-O 3.29Å; F272-H359 VanDerWaalsContact CA-O 3.29Å; F272-H359 WeakPolarHBondContact CA-O 3.4Å; F272-H359 HydrophobicContact CD1-CB 3.91Å; F272-H359 HydrophobicContact CE1-CB 4.04Å; F272-H359 AromaticContact CE1-CD2 3.73Å; F272-I361 HydrophobicContact CB-CD1 4.05Å; F272-I361 HydrophobicContact CB-CG2 4.14Å; F272-I361 HydrophobicContact CD1-CG2 4.01Å; F272-L365 HydrophobicContact CB-CD1 4.17Å
273	A	98.6	Very high	96.2	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	110.1	-172.5	0	0	0	0	0	110.8	L241 L247 F250 L271 I358 H359 L360 I361	L241-A273 HydrophobicContact CD2-CB 4.48Å; L247-A273 HydrophobicContact CD1-CB 4.12Å; L247-A273 HydrophobicContact CD2-CB 4.2Å; F250-A273 HydrophobicContact CD1-CB 4.49Å; L271-A273 HydrophobicContact CD2-CB 4.03Å; L271-A273 HydrophobicContact CG-CB 4.15Å; A273-I358 HydrophobicContact CB-CG2 3.71Å; A273-H359 PolarHBondContact N-O 3.23Å; A273-L360 HydrophobicContact CB-CD2 3.85Å; A273-L360 CarbonylContact O-C 3.58Å; A273-L360 VanDerWaalsContact O-CA 3.26Å; A273-L360 WeakPolarHBondContact O-CA 3.47Å; A273-I361 PolarHBondContact O-N 2.95Å
274	P	98.5	Very high	95.6	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	134.3	175.2	25.8	-32.5	0	0	0	111.3	F250 F272 A278 F279 I361 V364	F250-P274 HydrophobicContact CB-CG 4.27Å; F250-P274 VanDerWaalsContact CD2-CD 3.49Å; F250-P274 HydrophobicContact CD2-CG 3.36Å; F250-P274 HydrophobicContact CE2-CG 3.87Å; F250-P274 HydrophobicContact CG-CG 3.93Å; F272-P274 WeakPolarHBondContact O-CD 3.39Å; P274-A278 HydrophobicContact CB-CB 3.72Å; P274-F279 HydrophobicContact CB-CE2 4.14Å; P274-F279 HydrophobicContact CG-CE2 3.8Å; P274-F279 HydrophobicContact CG-CZ 4.32Å; P274-I361 WeakPolarHBondContact CA-O 3.48Å; P274-I361 HydrophobicContact CB-CD1 4.28Å; P274-I361 HydrophobicContact CB-CG1 3.91Å; P274-V364 HydrophobicContact CB-CG2 3.77Å; P274-V364 HydrophobicContact CG-CG2 4.13Å
275	T	98.6	Very high	94.8	Very high	3 Å²	3	50.4 Å²	50.4	2%	0.018	29%	0.287	C	S	.	.			trans	-75.4	169.9	175.7	71.8	0	0	0	0	111.8	E246 L247 E277 A278 F279 L347 L360 I361	E246-T275 CarbonylContact O-C 3.58Å; E246-T275 VanDerWaalsContact O-CA 3.3Å; E246-T275 WeakPolarHBondContact O-CA 3.46Å; L247-T275 HydrophobicContact CD2-CG2 4.19Å; T275-E277 WeakPolarHBondContact CB-OE2 3.19Å; T275-E277 PolarHBondContact O-N 2.89Å; T275-E277 PolarHBondContact OG1-OE2 2.91Å; T275-A278 WeakPolarHBondContact O-CA 3.31Å; T275-A278 WeakPolarHBondContact O-CB 3.26Å; T275-A278 PolarHBondContact O-N 3.07Å; T275-F279 PolarHBondContact O-N 3.11Å; T275-L347 HydrophobicContact CG2-CD1 3.99Å; T275-L360 HydrophobicContact CG2-CB 4.18Å; T275-L360 HydrophobicContact CG2-CD1 4.3Å; T275-I361 PolarHBondContact N-O 2.9Å; T275-I361 VanDerWaalsContact N-O 3.13Å
276	N	97.8	Very high	94.3	Very high	32 Å²	32	46 Å²	46	17%	0.171	27%	0.266	C	S	.	.	H	α-helix	trans	-55.9	-40.5	175.5	-59	-30	0	0	0	111.6	E245 E246 S248 S249 A278 F279 D280	E245-N276 PolarHBondContact O-ND2 2.66Å; E246-N276 VanDerWaalsContact O-CG 3.31Å; E246-N276 PolarHBondContact O-N 2.85Å; E246-N276 PolarHBondContact O-ND2 3.37Å; E246-N276 PolarHBondContact O-OD1 2.71Å; S248-N276 PolarHBondContact N-OD1 2.7Å; S248-N276 PolarHBondContact OG-ND2 2.86Å; S248-N276 PolarHBondContact OG-OD1 2.7Å; S249-N276 PolarHBondContact N-OD1 2.89Å; S249-N276 PolarHBondContact OG-OD1 2.79Å; N276-A278 PolarHBondContact O-N 2.94Å; N276-A278 VanDerWaalsContact O-N 3.15Å; N276-F279 WeakPolarHBondContact O-CA 3.22Å; N276-F279 WeakPolarHBondContact O-CB 3.37Å; N276-F279 PolarHBondContact O-N 2.88Å; N276-D280 PolarHBondContact O-N 3.35Å
277	E	97.6	Very high	93.7	Very high	101 Å²	101	41.4 Å²	41.4	47%	0.472	23%	0.234	S	C	.	.	H	α-helix	trans	-67.6	-13.7	176.4	-51.7	78.4	-175.9	0	0	113.3	T275 K281	T275-E277 WeakPolarHBondContact CB-OE2 3.19Å; T275-E277 PolarHBondContact O-N 2.89Å; T275-E277 PolarHBondContact OG1-OE2 2.91Å; E277-K281 VanDerWaalsContact O-CD 3.29Å; E277-K281 WeakPolarHBondContact O-CD 3.29Å; E277-K281 WeakPolarHBondContact O-CE 2.94Å; E277-K281 WeakPolarHBondContact O-CG 3.4Å
278	A	97.3	Very high	93.2	Very high	1 Å²	1	45.4 Å²	45.4	1%	0.008	24%	0.244	C	C	.	.	H	α-helix	trans	-80.8	-32	169.8	0	0	0	0	0	111.9	P274 T275 N276 D362 V364	P274-A278 HydrophobicContact CB-CB 3.72Å; T275-A278 WeakPolarHBondContact O-CA 3.31Å; T275-A278 WeakPolarHBondContact O-CB 3.26Å; T275-A278 PolarHBondContact O-N 3.07Å; N276-A278 PolarHBondContact O-N 2.94Å; N276-A278 VanDerWaalsContact O-N 3.15Å; A278-D362 WeakPolarHBondContact CA-O 3.32Å; A278-D362 WeakPolarHBondContact CB-O 3.47Å; A278-V364 HydrophobicContact CB-CG2 4.19Å
279	F	95.3	Very high	92.5	Very high	20 Å²	20	43.8 Å²	43.8	9%	0.088	24%	0.241	C	C	.	.	H	α-helix	trans	-74.9	-37.2	171.1	-78.1	-93.4	0	0	0	112	F250 A253 P274 T275 N276 K281 L282 M287 V364	F250-F279 HydrophobicContact CB-CE2 3.83Å; F250-F279 HydrophobicContact CB-CZ 4.27Å; F250-F279 HydrophobicContact CD2-CE2 4.19Å; F250-F279 HydrophobicContact CD2-CZ 4.05Å; A253-F279 HydrophobicContact CB-CZ 4.4Å; P274-F279 HydrophobicContact CB-CE2 4.14Å; P274-F279 HydrophobicContact CG-CE2 3.8Å; P274-F279 HydrophobicContact CG-CZ 4.32Å; T275-F279 PolarHBondContact O-N 3.11Å; N276-F279 WeakPolarHBondContact O-CA 3.22Å; N276-F279 WeakPolarHBondContact O-CB 3.37Å; N276-F279 PolarHBondContact O-N 2.88Å; F279-K281 PolarHBondContact O-N 3.24Å; F279-L282 HydrophobicContact CB-CD1 4.31Å; F279-L282 HydrophobicContact CD1-CD1 3.65Å; F279-L282 HydrophobicContact CE1-CD1 4.35Å; F279-L282 HydrophobicContact CG-CD1 4.26Å; F279-L282 VanDerWaalsContact O-CB 3.25Å; F279-L282 WeakPolarHBondContact O-CB 3.16Å; F279-L282 WeakPolarHBondContact O-CG 3.12Å; F279-L282 PolarHBondContact O-N 3.35Å; F279-M287 HydrophobicContact CD1-CE 4.19Å; F279-M287 HydrophobicContact CD1-CG 4.16Å; F279-M287 HydrophobicContact CD1-SD 3.75Å; F279-M287 HydrophobicContact CE1-CE 3.75Å; F279-M287 HydrophobicContact CE1-SD 3.69Å; F279-V364 HydrophobicContact CD1-CG2 4.35Å; F279-V364 HydrophobicContact CD2-CG2 4.11Å; F279-V364 HydrophobicContact CE1-CG2 4.37Å; F279-V364 HydrophobicContact CE2-CG2 4.14Å; F279-V364 HydrophobicContact CG-CG2 4.22Å; F279-V364 HydrophobicContact CZ-CG2 4.28Å
280	D	94.4	Very high	91.7	Very high	129 Å²	129	43.1 Å²	43.1	69%	0.69	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-15	177	-64.5	-27.7	0	0	0	113.5	N276	N276-D280 PolarHBondContact O-N 3.35Å
281	K	95.2	Very high	91.1	Very high	116 Å²	116	46.4 Å²	46.4	50%	0.504	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-4.6	174.1	-69.2	165.1	-167.3	163.2	0	113.7	E277 F279 D362	E277-K281 VanDerWaalsContact O-CD 3.29Å; E277-K281 WeakPolarHBondContact O-CD 3.29Å; E277-K281 WeakPolarHBondContact O-CE 2.94Å; E277-K281 WeakPolarHBondContact O-CG 3.4Å; F279-K281 PolarHBondContact O-N 3.24Å; K281-D362 WeakPolarHBondContact CD-O 3.05Å; K281-D362 PolarHBondContact NZ-O 3.47Å; K281-D362 IonicContact NZ-OD2 2.83Å; K281-D362 PolarHBondContact NZ-OD2 3.41Å
282	L	91.6	Very high	90.3	Very high	32 Å²	32	54.9 Å²	54.9	17%	0.168	29%	0.292	C	S	.	.	S	Bend	trans	-77.7	156.2	179.1	-63.2	170.3	0	0	0	111.7	F279 F286 M287 V364 I366	F279-L282 HydrophobicContact CB-CD1 4.31Å; F279-L282 HydrophobicContact CD1-CD1 3.65Å; F279-L282 HydrophobicContact CE1-CD1 4.35Å; F279-L282 HydrophobicContact CG-CD1 4.26Å; F279-L282 VanDerWaalsContact O-CB 3.25Å; F279-L282 WeakPolarHBondContact O-CB 3.16Å; F279-L282 WeakPolarHBondContact O-CG 3.12Å; F279-L282 PolarHBondContact O-N 3.35Å; L282-F286 HydrophobicContact CB-CD1 4.25Å; L282-F286 HydrophobicContact CD1-CD1 3.91Å; L282-F286 HydrophobicContact CD1-CE1 4.11Å; L282-F286 HydrophobicContact CD2-CD1 4.03Å; L282-F286 HydrophobicContact CD2-CE1 3.9Å; L282-F286 HydrophobicContact CG-CD1 4.3Å; L282-M287 HydrophobicContact CD1-CG 3.81Å; L282-M287 HydrophobicContact CD1-SD 3.58Å; L282-M287 VanDerWaalsContact CD1-SD 3.58Å; L282-V364 HydrophobicContact CD1-CG2 4.21Å; L282-V364 HydrophobicContact CD2-CB 4.21Å; L282-V364 HydrophobicContact CD2-CG2 4.48Å; L282-I366 HydrophobicContact CD2-CD1 4Å
283	T	86.8	Confident	89.6	Confident	96 Å²	96	57.2 Å²	57.2	59%	0.589	31%	0.305	S	S	*	.	P	Polyproline II helix	trans	-63.2	132	174.7	-50.3	0	0	0	0	110.4	G285 F286	T283-G285 PolarHBondContact O-N 3.43Å; T283-F286 WeakPolarHBondContact O-CB 3.42Å; T283-F286 PolarHBondContact O-N 2.95Å
284	P	83.7	Confident	89.2	Confident	129 Å²	129	63.1 Å²	63.1	84%	0.838	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	132.8	173.9	-26.8	35.3	0	0	0	112.1
285	G	81.8	Confident	88.9	Confident	35 Å²	35	67.6 Å²	67.6	36%	0.361	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.4	-14.6	-173.9	0	0	0	0	0	115.1	T283 E288 S289	T283-G285 PolarHBondContact O-N 3.43Å; G285-E288 VanDerWaalsContact C-OE2 3.22Å; G285-E288 WeakPolarHBondContact CA-OE2 3.32Å; G285-E288 PolarHBondContact N-OE2 2.96Å; G285-S289 WeakPolarHBondContact O-CB 3.33Å; G285-S289 PolarHBondContact O-N 3.13Å; G285-S289 PolarHBondContact O-OG 3.16Å
286	F	84.4	Confident	88.6	Confident	20 Å²	20	68 Å²	68	9%	0.088	36%	0.363	C	S	.	.	H	α-helix	trans	-64.9	-46.4	-179.3	176.4	-94.2	0	0	0	111.9	L282 T283 S289 I290 I366	L282-F286 HydrophobicContact CB-CD1 4.25Å; L282-F286 HydrophobicContact CD1-CD1 3.91Å; L282-F286 HydrophobicContact CD1-CE1 4.11Å; L282-F286 HydrophobicContact CD2-CD1 4.03Å; L282-F286 HydrophobicContact CD2-CE1 3.9Å; L282-F286 HydrophobicContact CG-CD1 4.3Å; T283-F286 WeakPolarHBondContact O-CB 3.42Å; T283-F286 PolarHBondContact O-N 2.95Å; F286-S289 PolarHBondContact O-N 3.49Å; F286-S289 PolarHBondContact O-OG 2.8Å; F286-I290 HydrophobicContact CD1-CD1 4.15Å; F286-I290 HydrophobicContact CD2-CD1 4.32Å; F286-I290 HydrophobicContact CE1-CD1 3.55Å; F286-I290 HydrophobicContact CE2-CD1 3.73Å; F286-I290 HydrophobicContact CZ-CD1 3.31Å; F286-I290 WeakPolarHBondContact O-CG1 3.46Å; F286-I290 PolarHBondContact O-N 2.85Å; F286-I290 VanDerWaalsContact O-N 3.14Å; F286-I366 HydrophobicContact CE1-CD1 4.21Å; F286-I366 HydrophobicContact CE2-CD1 4.11Å; F286-I366 HydrophobicContact CE2-CG2 4.45Å; F286-I366 HydrophobicContact CZ-CD1 3.59Å; F286-I366 HydrophobicContact CZ-CG1 4.01Å; F286-I366 HydrophobicContact CZ-CG2 3.95Å
287	M	83	Confident	88.4	Confident	24 Å²	24	66.4 Å²	66.4	12%	0.118	36%	0.355	C	S	.	.	H	α-helix	trans	-68.6	-39.8	-179.3	-73.5	-52.8	-53	0	0	111.9	F279 L282 S289 I290 F291	F279-M287 HydrophobicContact CD1-CE 4.19Å; F279-M287 HydrophobicContact CD1-CG 4.16Å; F279-M287 HydrophobicContact CD1-SD 3.75Å; F279-M287 HydrophobicContact CE1-CE 3.75Å; F279-M287 HydrophobicContact CE1-SD 3.69Å; L282-M287 HydrophobicContact CD1-CG 3.81Å; L282-M287 HydrophobicContact CD1-SD 3.58Å; L282-M287 VanDerWaalsContact CD1-SD 3.58Å; M287-S289 PolarHBondContact O-N 2.83Å; M287-I290 PolarHBondContact O-N 3.42Å; M287-F291 HydrophobicContact CB-CD2 4.23Å; M287-F291 HydrophobicContact CB-CE2 3.84Å; M287-F291 HydrophobicContact CE-CD1 4.38Å; M287-F291 HydrophobicContact CE-CD2 4.44Å; M287-F291 HydrophobicContact CE-CE1 3.69Å; M287-F291 HydrophobicContact CE-CE2 3.79Å; M287-F291 HydrophobicContact CE-CZ 3.35Å; M287-F291 WeakPolarHBondContact O-CB 3.18Å; M287-F291 WeakPolarHBondContact O-CD2 3.3Å; M287-F291 VanDerWaalsContact O-CG 3.26Å; M287-F291 WeakPolarHBondContact O-CG 3.27Å; M287-F291 PolarHBondContact O-N 3.49Å
288	E	83.9	Confident	88.3	Confident	120 Å²	120	66 Å²	66	56%	0.561	35%	0.352	S	S	*	.	H	α-helix	trans	-57.9	-48	174.3	-62.7	90.4	151	0	0	111.3	G285 I290 F291 E292	G285-E288 VanDerWaalsContact C-OE2 3.22Å; G285-E288 WeakPolarHBondContact CA-OE2 3.32Å; G285-E288 PolarHBondContact N-OE2 2.96Å; E288-I290 VanDerWaalsContact C-N 3.28Å; E288-I290 PolarHBondContact O-N 3.24Å; E288-F291 PolarHBondContact O-N 3.41Å; E288-E292 PolarHBondContact O-N 3.49Å
289	S	79.8	Confident	88.2	Confident	46 Å²	46	66.7 Å²	66.7	32%	0.322	36%	0.357	S	S	.	.	H	α-helix	trans	-65.2	-28.8	178.5	73.9	0	0	0	0	114.1	G285 F286 M287	G285-S289 WeakPolarHBondContact O-CB 3.33Å; G285-S289 PolarHBondContact O-N 3.13Å; G285-S289 PolarHBondContact O-OG 3.16Å; F286-S289 PolarHBondContact O-N 3.49Å; F286-S289 PolarHBondContact O-OG 2.8Å; M287-S289 PolarHBondContact O-N 2.83Å
290	I	82	Confident	88.3	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-85.4	-34.5	179.3	-74.8	-171.4	0	0	0	112	F286 M287 E288 E292 N293 V296 I297 L300 A370	F286-I290 HydrophobicContact CD1-CD1 4.15Å; F286-I290 HydrophobicContact CD2-CD1 4.32Å; F286-I290 HydrophobicContact CE1-CD1 3.55Å; F286-I290 HydrophobicContact CE2-CD1 3.73Å; F286-I290 HydrophobicContact CZ-CD1 3.31Å; F286-I290 WeakPolarHBondContact O-CG1 3.46Å; F286-I290 PolarHBondContact O-N 2.85Å; F286-I290 VanDerWaalsContact O-N 3.14Å; M287-I290 PolarHBondContact O-N 3.42Å; E288-I290 VanDerWaalsContact C-N 3.28Å; E288-I290 PolarHBondContact O-N 3.24Å; I290-E292 PolarHBondContact O-N 3.14Å; I290-N293 PolarHBondContact O-N 3.34Å; I290-V296 HydrophobicContact CB-CG1 4.48Å; I290-V296 HydrophobicContact CD1-CG1 3.98Å; I290-V296 HydrophobicContact CG1-CG1 3.82Å; I290-V296 HydrophobicContact CG2-CG1 4.24Å; I290-I297 HydrophobicContact CG2-CB 3.59Å; I290-I297 HydrophobicContact CG2-CD1 4.38Å; I290-I297 HydrophobicContact CG2-CG1 4.03Å; I290-L300 HydrophobicContact CD1-CD2 4.33Å; I290-L300 HydrophobicContact CG2-CD2 4.16Å; I290-A370 HydrophobicContact CD1-CB 4.41Å
291	F	84.6	Confident	88.5	Confident	69 Å²	69	60 Å²	60	30%	0.303	32%	0.323	S	S	.	.	H	α-helix	trans	-63.2	-28.2	176.5	-74.1	-48.1	0	0	0	113	A253 I256 M287 E288 N293 I297	A253-F291 HydrophobicContact CB-CE1 4.49Å; I256-F291 HydrophobicContact CB-CD1 4.45Å; I256-F291 HydrophobicContact CD1-CD1 3.46Å; I256-F291 VanDerWaalsContact CD1-CD1 3.46Å; I256-F291 HydrophobicContact CD1-CE1 3.52Å; I256-F291 HydrophobicContact CD1-CG 4.3Å; I256-F291 HydrophobicContact CD1-CZ 4.35Å; I256-F291 HydrophobicContact CG2-CD1 4.2Å; M287-F291 HydrophobicContact CB-CD2 4.23Å; M287-F291 HydrophobicContact CB-CE2 3.84Å; M287-F291 HydrophobicContact CE-CD1 4.38Å; M287-F291 HydrophobicContact CE-CD2 4.44Å; M287-F291 HydrophobicContact CE-CE1 3.69Å; M287-F291 HydrophobicContact CE-CE2 3.79Å; M287-F291 HydrophobicContact CE-CZ 3.35Å; M287-F291 WeakPolarHBondContact O-CB 3.18Å; M287-F291 WeakPolarHBondContact O-CD2 3.3Å; M287-F291 VanDerWaalsContact O-CG 3.26Å; M287-F291 WeakPolarHBondContact O-CG 3.27Å; M287-F291 PolarHBondContact O-N 3.49Å; E288-F291 PolarHBondContact O-N 3.41Å; F291-N293 VanDerWaalsContact C-N 3.25Å; F291-N293 PolarHBondContact O-N 3.39Å; F291-I297 HydrophobicContact CD1-CD1 3.31Å; F291-I297 HydrophobicContact CE1-CD1 3.49Å; F291-I297 VanDerWaalsContact CE1-CD1 3.49Å; F291-I297 HydrophobicContact CG-CD1 4.47Å
292	E	82.6	Confident	88.6	Confident	180 Å²	180	55.2 Å²	55.2	84%	0.841	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.3	-7.8	174.8	-65.2	-171	166.3	0	0	113.8	E288 I290	E288-E292 PolarHBondContact O-N 3.49Å; I290-E292 PolarHBondContact O-N 3.14Å
293	N	85.2	Confident	88.9	Confident	49 Å²	49	54.8 Å²	54.8	26%	0.262	30%	0.3	S	S	.	.			trans	-125.4	84.1	-170.3	-168.5	-18.4	0	0	0	111.8	I290 F291 P295 V296 I297 M480	I290-N293 PolarHBondContact O-N 3.34Å; F291-N293 VanDerWaalsContact C-N 3.25Å; F291-N293 PolarHBondContact O-N 3.39Å; N293-P295 WeakPolarHBondContact OD1-CD 3.37Å; N293-V296 HydrophobicContact CB-CB 4.09Å; N293-V296 HydrophobicContact CB-CG2 4.43Å; N293-V296 WeakPolarHBondContact ND2-CG2 3.14Å; N293-V296 PolarHBondContact O-N 2.93Å; N293-I297 PolarHBondContact O-N 3.12Å; N293-M480 PolarHBondContact ND2-SD 2.76Å; N293-M480 VanDerWaalsContact ND2-SD 3.39Å
294	E	89.6	Confident	89.5	Confident	124 Å²	124	50.2 Å²	50.2	58%	0.579	27%	0.272	S	S	*	.	H	α-helix	trans	-46.5	-49	-177.2	-176	-157.9	150	0	0	113.5	V296 I297 K298	E294-V296 VanDerWaalsContact C-N 3.29Å; E294-V296 PolarHBondContact O-N 2.79Å; E294-I297 WeakPolarHBondContact O-CG2 3.47Å; E294-K298 WeakPolarHBondContact O-CB 3.5Å; E294-K298 PolarHBondContact O-N 3.49Å
295	P	91.1	Very high	90.2	Very high	93 Å²	93	44.2 Å²	44.2	60%	0.604	23%	0.232	S	C	*	.	H	α-helix	trans	-55.3	-39.2	175	-27.5	35	0	0	0	114.6	N293 A299	N293-P295 WeakPolarHBondContact OD1-CD 3.37Å; P295-A299 WeakPolarHBondContact O-CB 3.36Å; P295-A299 PolarHBondContact O-N 3.45Å
296	V	92.2	Very high	91	Very high	11 Å²	11	42.5 Å²	42.5	7%	0.067	22%	0.215	C	C	.	.	H	α-helix	trans	-79.1	-44.1	-174.9	169.5	0	0	0	0	111.8	I290 N293 E294 K298 A299 L300 A370 M480	I290-V296 HydrophobicContact CB-CG1 4.48Å; I290-V296 HydrophobicContact CD1-CG1 3.98Å; I290-V296 HydrophobicContact CG1-CG1 3.82Å; I290-V296 HydrophobicContact CG2-CG1 4.24Å; N293-V296 HydrophobicContact CB-CB 4.09Å; N293-V296 HydrophobicContact CB-CG2 4.43Å; N293-V296 WeakPolarHBondContact ND2-CG2 3.14Å; N293-V296 PolarHBondContact O-N 2.93Å; E294-V296 VanDerWaalsContact C-N 3.29Å; E294-V296 PolarHBondContact O-N 2.79Å; V296-K298 PolarHBondContact O-N 2.68Å; V296-A299 PolarHBondContact O-N 2.91Å; V296-L300 WeakPolarHBondContact O-CB 3.19Å; V296-L300 PolarHBondContact O-N 3.25Å; V296-A370 HydrophobicContact CG1-CB 3.72Å; V296-M480 HydrophobicContact CB-SD 4.39Å; V296-M480 HydrophobicContact CG1-SD 4.11Å; V296-M480 HydrophobicContact CG2-CB 4.18Å; V296-M480 HydrophobicContact CG2-CG 3.96Å; V296-M480 HydrophobicContact CG2-SD 4.01Å
297	I	94.7	Very high	91.6	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-64.7	-33.9	173.5	-171.4	162.3	0	0	0	111.7	A253 I256 A257 I290 F291 N293 E294 L300 V301	A253-I297 HydrophobicContact CB-CD1 4.14Å; I256-I297 HydrophobicContact CB-CD1 4.12Å; I256-I297 HydrophobicContact CG2-CD1 4.01Å; I256-I297 HydrophobicContact CG2-CG2 4.37Å; A257-I297 HydrophobicContact CB-CG1 4.38Å; A257-I297 HydrophobicContact CB-CG2 4.49Å; I290-I297 HydrophobicContact CG2-CB 3.59Å; I290-I297 HydrophobicContact CG2-CD1 4.38Å; I290-I297 HydrophobicContact CG2-CG1 4.03Å; F291-I297 HydrophobicContact CD1-CD1 3.31Å; F291-I297 HydrophobicContact CE1-CD1 3.49Å; F291-I297 VanDerWaalsContact CE1-CD1 3.49Å; F291-I297 HydrophobicContact CG-CD1 4.47Å; N293-I297 PolarHBondContact O-N 3.12Å; E294-I297 WeakPolarHBondContact O-CG2 3.47Å; I297-L300 WeakPolarHBondContact O-CB 3.08Å; I297-L300 PolarHBondContact O-N 2.69Å; I297-V301 HydrophobicContact CG1-CG2 4.4Å; I297-V301 WeakPolarHBondContact O-CG2 3.48Å; I297-V301 PolarHBondContact O-N 2.84Å
298	K	95.9	Very high	92.2	Very high	92 Å²	92	46.8 Å²	46.8	40%	0.4	24%	0.242	S	C	.	.	H	α-helix	trans	-63.8	-47.3	174	-170.7	169.1	-169.8	158.4	0	111.8	A257 E294 V296 L300 V301 T302	A257-K298 HydrophobicContact CB-CB 4.47Å; E294-K298 WeakPolarHBondContact O-CB 3.5Å; E294-K298 PolarHBondContact O-N 3.49Å; V296-K298 PolarHBondContact O-N 2.68Å; K298-L300 PolarHBondContact O-N 3.32Å; K298-V301 PolarHBondContact O-N 2.99Å; K298-T302 WeakPolarHBondContact O-CG2 3.23Å; K298-T302 PolarHBondContact O-N 3.21Å; K298-T302 PolarHBondContact O-OG1 2.89Å
299	A	95.6	Very high	92.9	Very high	15 Å²	15	41.6 Å²	41.6	12%	0.124	22%	0.219	C	C	.	.	H	α-helix	trans	-58.3	-45.6	173.2	0	0	0	0	0	112	P295 V296 V301 T302 Y303 E325	P295-A299 WeakPolarHBondContact O-CB 3.36Å; P295-A299 PolarHBondContact O-N 3.45Å; V296-A299 PolarHBondContact O-N 2.91Å; A299-V301 PolarHBondContact O-N 3.01Å; A299-T302 PolarHBondContact O-N 3.13Å; A299-T302 PolarHBondContact O-OG1 3.11Å; A299-Y303 WeakPolarHBondContact O-CB 3.25Å; A299-Y303 PolarHBondContact O-N 3.31Å; A299-E325 HydrophobicContact CB-CG 3.69Å
300	L	96.3	Very high	93.7	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.021	21%	0.207	C	C	.	.	H	α-helix	trans	-56	-50.2	175.8	-177	68.6	0	0	0	111.5	I290 V296 I297 K298 H304 V364 L365 I366	I290-L300 HydrophobicContact CD1-CD2 4.33Å; I290-L300 HydrophobicContact CG2-CD2 4.16Å; V296-L300 WeakPolarHBondContact O-CB 3.19Å; V296-L300 PolarHBondContact O-N 3.25Å; I297-L300 WeakPolarHBondContact O-CB 3.08Å; I297-L300 PolarHBondContact O-N 2.69Å; K298-L300 PolarHBondContact O-N 3.32Å; L300-H304 PolarHBondContact O-CE1 2.92Å; L300-H304 PolarHBondContact O-ND1 2.94Å; L300-V364 HydrophobicContact CD1-CG1 3.92Å; L300-L365 WeakPolarHBondContact CD1-O 3.38Å; L300-I366 HydrophobicContact CD1-CB 4.42Å; L300-I366 HydrophobicContact CD1-CG1 4.29Å; L300-I366 HydrophobicContact CD1-CG2 4.37Å
301	V	97.8	Very high	94.4	Very high	4 Å²	4	40.2 Å²	40.2	2%	0.024	21%	0.207	C	C	.	.	H	α-helix	trans	-67	-41.5	179.4	169.5	0	0	0	0	112	F250 A253 V254 A257 V259 I297 K298 A299 Y303 H304	F250-V301 HydrophobicContact CE2-CG2 4.49Å; F250-V301 HydrophobicContact CZ-CG1 4.41Å; A253-V301 HydrophobicContact CB-CG2 4.15Å; V254-V301 HydrophobicContact CB-CG1 4.46Å; V254-V301 HydrophobicContact CG2-CG1 3.8Å; V254-V301 HydrophobicContact CG2-CG2 4.44Å; A257-V301 HydrophobicContact CB-CB 3.98Å; A257-V301 HydrophobicContact CB-CG1 4.33Å; A257-V301 HydrophobicContact CB-CG2 3.81Å; V259-V301 HydrophobicContact CB-CG1 3.93Å; V259-V301 HydrophobicContact CG1-CG1 3.97Å; V259-V301 HydrophobicContact CG2-CG1 3.92Å; I297-V301 HydrophobicContact CG1-CG2 4.4Å; I297-V301 WeakPolarHBondContact O-CG2 3.48Å; I297-V301 PolarHBondContact O-N 2.84Å; K298-V301 PolarHBondContact O-N 2.99Å; A299-V301 PolarHBondContact O-N 3.01Å; V301-Y303 VanDerWaalsContact C-N 3.35Å; V301-Y303 PolarHBondContact O-N 2.64Å; V301-H304 WeakPolarHBondContact O-CB 3.26Å; V301-H304 PolarHBondContact O-N 3.29Å
302	T	98.2	Very high	94.9	Very high	17 Å²	17	37.2 Å²	37.2	10%	0.104	20%	0.195	C	C	.	.	H	α-helix	trans	-75.8	-20.8	-178.7	58.8	0	0	0	0	113.6	V259 K298 A299 H304 L305 E324 E325	V259-T302 HydrophobicContact CG2-CG2 4.16Å; K298-T302 WeakPolarHBondContact O-CG2 3.23Å; K298-T302 PolarHBondContact O-N 3.21Å; K298-T302 PolarHBondContact O-OG1 2.89Å; A299-T302 PolarHBondContact O-N 3.13Å; A299-T302 PolarHBondContact O-OG1 3.11Å; T302-H304 PolarHBondContact O-N 2.92Å; T302-L305 PolarHBondContact O-N 3.15Å; T302-L305 VanDerWaalsContact O-N 3.09Å; T302-E324 VanDerWaalsContact CB-C 3.49Å; T302-E324 WeakPolarHBondContact CB-O 3.16Å; T302-E324 HydrophobicContact CG2-CB 4.22Å; T302-E324 PolarHBondContact O-N 2.65Å; T302-E324 PolarHBondContact OG1-O 2.67Å; T302-E325 WeakPolarHBondContact OG1-CA 3.44Å; T302-E325 WeakPolarHBondContact OG1-CB 3.44Å; T302-E325 PolarHBondContact OG1-N 2.83Å
303	Y	98.5	Very high	95.4	Very high	22 Å²	22	29 Å²	29	9%	0.086	16%	0.157	C	C	.	.	H	α-helix	trans	-67.8	-18.5	171.4	-168.2	-121.5	0	0	0	113	A299 V301 T323 E325 T328 I329 L365 P367	A299-Y303 WeakPolarHBondContact O-CB 3.25Å; A299-Y303 PolarHBondContact O-N 3.31Å; V301-Y303 VanDerWaalsContact C-N 3.35Å; V301-Y303 PolarHBondContact O-N 2.64Å; Y303-T323 HydrophobicContact CD2-CG2 3.75Å; Y303-T323 WeakPolarHBondContact CD2-OG1 3.45Å; Y303-T323 HydrophobicContact CE2-CG2 3.98Å; Y303-T323 WeakPolarHBondContact O-CG2 3.46Å; Y303-E325 HydrophobicContact CD2-CB 4.37Å; Y303-T328 PolarHBondContact OH-O 2.85Å; Y303-I329 HydrophobicContact CE1-CG2 4.06Å; Y303-I329 HydrophobicContact CE2-CG2 3.75Å; Y303-I329 VanDerWaalsContact CZ-CG2 3.47Å; Y303-I329 WeakPolarHBondContact OH-CG2 3.02Å; Y303-L365 HydrophobicContact CD1-CB 3.71Å; Y303-L365 WeakPolarHBondContact CD1-O 3.5Å; Y303-L365 HydrophobicContact CE1-CB 3.96Å; Y303-P367 HydrophobicContact CD1-CB 3.82Å; Y303-P367 HydrophobicContact CD1-CG 4.2Å; Y303-P367 HydrophobicContact CD2-CB 3.93Å; Y303-P367 HydrophobicContact CE1-CB 4.25Å; Y303-P367 HydrophobicContact CE2-CB 4.4Å; Y303-P367 HydrophobicContact CG-CB 3.66Å; Y303-P367 HydrophobicContact CG-CG 4.07Å
304	H	98.7	Very high	95.8	Very high	1 Å²	1	26.9 Å²	26.9	1%	0.005	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-5.7	172.4	-68.1	83.7	0	0	0	113.8	F250 L271 F272 L300 V301 T302 L365	F250-H304 HydrophobicContact CE2-CB 4.43Å; F250-H304 HydrophobicContact CZ-CB 4.18Å; L271-H304 HydrophobicContact CD1-CB 4.22Å; F272-H304 PolarHBondContact N-O 2.92Å; F272-H304 WeakPolarHBondContact O-CB 3.46Å; F272-H304 PolarHBondContact O-CD2 3.36Å; L300-H304 PolarHBondContact O-CE1 2.92Å; L300-H304 PolarHBondContact O-ND1 2.94Å; V301-H304 WeakPolarHBondContact O-CB 3.26Å; V301-H304 PolarHBondContact O-N 3.29Å; T302-H304 PolarHBondContact O-N 2.92Å; H304-L365 PolarHBondContact CE1-N 3.4Å; H304-L365 PolarHBondContact CE1-O 3.17Å; H304-L365 WeakPolarHBondContact NE2-CB 3.43Å; H304-L365 PolarHBondContact NE2-N 3Å
305	L	98.6	Very high	95.9	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.01	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	136.6	-169.1	-174.3	65.8	0	0	0	111.5	K262 L263 F269 T270 L271 T302 T323 E324	K262-L305 HydrophobicContact CD-CD2 4.33Å; L263-L305 HydrophobicContact CD2-CD1 3.84Å; L263-L305 HydrophobicContact CD2-CD2 3.92Å; F269-L305 HydrophobicContact CB-CD1 3.94Å; F269-L305 HydrophobicContact CD1-CD1 4.17Å; F269-L305 HydrophobicContact CG-CD1 4.22Å; T270-L305 CarbonylContact O-C 3.17Å; T270-L305 WeakPolarHBondContact O-CA 3.43Å; L271-L305 HydrophobicContact CB-CD1 4.38Å; L271-L305 HydrophobicContact CD1-CD1 4.42Å; T302-L305 PolarHBondContact O-N 3.15Å; T302-L305 VanDerWaalsContact O-N 3.09Å; L305-T323 CarbonylContact O-C 3.59Å; L305-T323 WeakPolarHBondContact O-CA 3.37Å; L305-E324 HydrophobicContact CB-CB 4.27Å; L305-E324 HydrophobicContact CB-CG 4.09Å; L305-E324 HydrophobicContact CD2-CB 4.31Å; L305-E324 HydrophobicContact CD2-CG 3.86Å; L305-E324 HydrophobicContact CG-CB 4.42Å; L305-E324 HydrophobicContact CG-CG 3.78Å; L305-E324 PolarHBondContact O-N 2.91Å
306	L	98.4	Very high	95.9	Very high	0 Å²	0	17.2 Å²	17.2	0%	0	9%	0.093	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	141.1	172	-48.6	-176.2	0	0	0	111.2	F269 T270 F272 S308 Q310 Y321 E322 T323 I329 I331	F269-L306 CarbonylContact C-O 3.52Å; F269-L306 VanDerWaalsContact CA-O 3.24Å; F269-L306 WeakPolarHBondContact CA-O 3.37Å; T270-L306 PolarHBondContact N-O 3.11Å; T270-L306 PolarHBondContact O-N 3.4Å; F272-L306 HydrophobicContact CE2-CD1 4.27Å; F272-L306 HydrophobicContact CE2-CG 4.5Å; L306-S308 PolarHBondContact O-N 2.54Å; L306-Q310 HydrophobicContact CD1-CG 4.05Å; L306-Y321 HydrophobicContact CD1-CD1 4.34Å; L306-Y321 HydrophobicContact CD1-CG 4.25Å; L306-E322 WeakPolarHBondContact CD2-O 3.14Å; L306-T323 HydrophobicContact CD2-CG2 3.8Å; L306-I329 HydrophobicContact CD2-CD1 4.05Å; L306-I329 HydrophobicContact CD2-CG1 4.29Å; L306-I331 HydrophobicContact CD1-CD1 3.7Å
307	N	96.6	Very high	95.8	Very high	96 Å²	96	17.7 Å²	17.7	51%	0.513	10%	0.098	S	C	.	.	S	Bend	trans	-76.3	39.2	166.2	-81.2	-16	0	0	0	114.1	Q268 F269 E324	Q268-N307 CarbonylContact O-C 3.51Å; F269-N307 VanDerWaalsContact CE1-OD1 3.26Å; F269-N307 WeakPolarHBondContact CE1-OD1 3.27Å; N307-E324 WeakPolarHBondContact CB-OE1 3.18Å; N307-E324 PolarHBondContact N-OE1 3.14Å; N307-E324 PolarHBondContact ND2-OE1 3.04Å; N307-E324 PolarHBondContact ND2-OE2 3.17Å; N307-E324 VanDerWaalsContact OD1-CD 3.24Å; N307-E324 PolarHBondContact OD1-OE1 3.49Å; N307-E324 PolarHBondContact OD1-OE2 3.33Å
308	S	96.2	Very high	95.7	Very high	37 Å²	37	19.2 Å²	19.2	26%	0.259	11%	0.114	S	C	.	.	S	Bend	trans	-155.7	151.9	167.3	60.1	0	0	0	0	111.8	Q268 F269 T270 L306 Q310	Q268-S308 CarbonylContact O-C 3.27Å; Q268-S308 VanDerWaalsContact O-C 3.28Å; Q268-S308 WeakPolarHBondContact O-CA 3.17Å; Q268-S308 PolarHBondContact O-N 3.29Å; F269-S308 CarbonylContact C-O 3.59Å; T270-S308 WeakPolarHBondContact CB-O 3.45Å; T270-S308 PolarHBondContact N-O 3.43Å; T270-S308 VanDerWaalsContact N-O 3.12Å; T270-S308 PolarHBondContact OG1-O 2.86Å; L306-S308 PolarHBondContact O-N 2.54Å; S308-Q310 PolarHBondContact OG-NE2 3.36Å
309	V	97.6	Very high	95.5	Very high	12 Å²	12	17 Å²	17	7%	0.073	11%	0.11	C	C	.	.			trans	-82.4	117.4	175.8	-175.2	0	0	0	0	110.9	N197 Y199 Q268 V357	N197-V309 WeakPolarHBondContact ND2-CG1 3.45Å; Y199-V309 VanDerWaalsContact CE1-O 3.3Å; Y199-V309 WeakPolarHBondContact CE1-O 3.4Å; Y199-V309 PolarHBondContact OH-O 3.1Å; Q268-V309 HydrophobicContact CB-CG2 3.91Å; Q268-V309 HydrophobicContact CG-CG2 4.18Å; V309-V357 HydrophobicContact CG1-CB 4.01Å; V309-V357 HydrophobicContact CG1-CG1 3.74Å
310	Q	97.4	Very high	95.6	Very high	16 Å²	16	21 Å²	21	8%	0.075	13%	0.133	C	C	.	.			trans	-116.5	83.6	178.8	-56.9	-54.2	-42.9	0	0	110.3	T270 L306 S308 Y321 H359	T270-Q310 HydrophobicContact CG2-CB 4.47Å; T270-Q310 PolarHBondContact OG1-N 2.9Å; L306-Q310 HydrophobicContact CD1-CG 4.05Å; S308-Q310 PolarHBondContact OG-NE2 3.36Å; Q310-Y321 HydrophobicContact CG-CD1 4.24Å; Q310-Y321 HydrophobicContact CG-CE1 3.78Å; Q310-Y321 VanDerWaalsContact OE1-CE1 3.31Å; Q310-Y321 PolarHBondContact OE1-OH 3.3Å; Q310-H359 PolarHBondContact O-NE2 3.35Å
311	C	97.4	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.14	C	C	.	.			trans	-64.6	140.5	170.8	-59.4	0	0	0	0	110.5	Y199 T205 C208 E313 A314	Y199-C311 PolarHBondContact OH-N 3.23Å; Y199-C311 VanDerWaalsContact OH-N 3.15Å; Y199-C311 PolarHBondContact OH-SG 3.37Å; T205-C311 HydrophobicContact CG2-CB 4.19Å; C208-C311 WeakPolarHBondContact CA-SG 3.44Å; C208-C311 HydrophobicContact CB-CB 3.53Å; C208-C311 WeakPolarHBondContact CB-SG 3.25Å; C208-C311 WeakPolarHBondContact SG-CB 3.43Å; C208-C311 CovalentContact SG-SG 2.04Å; C208-C311 PolarHBondContact SG-SG 2.91Å; C311-E313 VanDerWaalsContact C-N 3.33Å; C311-E313 PolarHBondContact O-N 3.02Å; C311-A314 VanDerWaalsContact O-CB 3.24Å; C311-A314 WeakPolarHBondContact O-CB 3.22Å; C311-A314 PolarHBondContact O-N 3.43Å
312	A	95.3	Very high	95.6	Very high	7 Å²	7	29.6 Å²	29.6	6%	0.058	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-62.3	-36.2	-172.4	0	0	0	0	0	113.2	A314 I315 L338 K349 D350	A312-A314 PolarHBondContact O-N 2.89Å; A312-I315 PolarHBondContact O-N 3.39Å; A312-L338 HydrophobicContact CB-CD1 4.27Å; A312-L338 HydrophobicContact CB-CD2 4.44Å; A312-K349 HydrophobicContact CB-CD 3.75Å; A312-K349 HydrophobicContact CB-CG 4.4Å; A312-D350 WeakPolarHBondContact CB-OD1 3.47Å; A312-D350 PolarHBondContact N-OD1 3.41Å
313	E	92.2	Very high	95.6	Very high	7 Å²	7	29 Å²	29	3%	0.033	17%	0.167	C	C	.	.	G	3₁₀ helix	trans	-68.8	-9.1	176.2	-74.3	-61.8	133.6	0	0	114.4	K54 Y56 R210 C311	K54-E313 WeakPolarHBondContact CE-OE1 3.39Å; K54-E313 IonicContact NZ-OE1 3.36Å; K54-E313 PolarHBondContact NZ-OE1 3.4Å; Y56-E313 PolarHBondContact OH-OE2 3.46Å; R210-E313 HydrophobicContact CB-CB 3.79Å; R210-E313 HydrophobicContact CB-CG 4.25Å; R210-E313 IonicContact CZ-OE2 3.71Å; R210-E313 VanDerWaalsContact CZ-OE2 3.22Å; R210-E313 IonicContact NE-OE2 2.68Å; R210-E313 PolarHBondContact NE-OE2 3.45Å; R210-E313 IonicContact NH2-OE2 3.47Å; R210-E313 PolarHBondContact NH2-OE2 2.89Å; C311-E313 VanDerWaalsContact C-N 3.33Å; C311-E313 PolarHBondContact O-N 3.02Å
314	A	92.8	Very high	95.5	Very high	4 Å²	4	30.6 Å²	30.6	3%	0.033	18%	0.175	C	C	.	.	G	3₁₀ helix	trans	-81.5	-22.6	168.5	0	0	0	0	0	112.7	Y199 N201 V203 C311 A312 M316	Y199-A314 HydrophobicContact CD1-CB 3.62Å; Y199-A314 HydrophobicContact CD2-CB 3.43Å; Y199-A314 VanDerWaalsContact CD2-CB 3.43Å; Y199-A314 HydrophobicContact CE1-CB 3.68Å; Y199-A314 HydrophobicContact CE2-CB 3.48Å; Y199-A314 VanDerWaalsContact CE2-CB 3.48Å; Y199-A314 HydrophobicContact CG-CB 3.5Å; N201-A314 PolarHBondContact ND2-O 3.29Å; V203-A314 HydrophobicContact CG1-CB 4.44Å; C311-A314 VanDerWaalsContact O-CB 3.24Å; C311-A314 WeakPolarHBondContact O-CB 3.22Å; C311-A314 PolarHBondContact O-N 3.43Å; A312-A314 PolarHBondContact O-N 2.89Å; A314-M316 PolarHBondContact O-N 3.31Å
315	I	93.4	Very high	95.4	Very high	9 Å²	9	32.9 Å²	32.9	5%	0.046	19%	0.186	C	C	.	.			trans	-86.3	105.1	-175.7	-53	-56.7	0	0	0	109.1	C69 A312 Y321 I331 C333 L338	C69-I315 PolarHBondContact SG-O 3.39Å; C69-I315 VanDerWaalsContact SG-O 3.38Å; A312-I315 PolarHBondContact O-N 3.39Å; I315-Y321 HydrophobicContact CD1-CE2 4.46Å; I315-Y321 WeakPolarHBondContact CD1-OH 3.5Å; I315-I331 HydrophobicContact CD1-CG2 4.07Å; I315-I331 HydrophobicContact CG1-CG2 3.93Å; I315-I331 HydrophobicContact CG2-CG2 4.19Å; I315-C333 HydrophobicContact CG2-CB 4.43Å; I315-C333 PolarHBondContact O-SG 2.94Å; I315-L338 HydrophobicContact CB-CD1 3.93Å; I315-L338 HydrophobicContact CG1-CD1 3.87Å; I315-L338 HydrophobicContact CG2-CD1 4.11Å
316	M	90	Very high	95.2	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.03	21%	0.207	C	C	.	.			trans	-101.8	-16.5	178.5	-59.7	-171.5	80	0	0	113.7	Y56 N62 I68 C69 A314	Y56-M316 HydrophobicContact CD1-CE 3.79Å; Y56-M316 HydrophobicContact CD2-CE 4.32Å; Y56-M316 HydrophobicContact CG-CE 3.62Å; N62-M316 WeakPolarHBondContact ND2-CB 3.46Å; N62-M316 PolarHBondContact ND2-SD 3.05Å; I68-M316 HydrophobicContact CD1-CE 3.68Å; I68-M316 HydrophobicContact CG1-CE 4.05Å; I68-M316 HydrophobicContact CG2-CB 4.3Å; I68-M316 HydrophobicContact CG2-CE 4.03Å; C69-M316 PolarHBondContact N-O 3.03Å; A314-M316 PolarHBondContact O-N 3.31Å
317	A	90.4	Very high	95.1	Very high	20 Å²	20	36.9 Å²	36.9	17%	0.165	22%	0.221	C	C	.	.	S	Bend	trans	-167.9	155.8	-177.7	0	0	0	0	0	109.9	S319	A317-S319 PolarHBondContact O-N 3.05Å; A317-S319 PolarHBondContact O-OG 2.89Å; A317-S319 VanDerWaalsContact O-OG 3.11Å
318	G	91.8	Very high	95	Very high	33 Å²	33	35.8 Å²	35.8	34%	0.34	22%	0.218	S	C	.	.			trans	-45	124.5	174	0	0	0	0	0	113.9	E330 I331	G318-E330 WeakPolarHBondContact CA-OE1 3.34Å; G318-I331 WeakPolarHBondContact CA-O 3.34Å
319	S	92.7	Very high	95.1	Very high	45 Å²	45	34.1 Å²	34.1	32%	0.315	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	142.2	-178.3	-59	0	0	0	0	109.2	A317 Y321 E330 I331	A317-S319 PolarHBondContact O-N 3.05Å; A317-S319 PolarHBondContact O-OG 2.89Å; A317-S319 VanDerWaalsContact O-OG 3.11Å; S319-Y321 WeakPolarHBondContact O-CD2 3.42Å; S319-E330 WeakPolarHBondContact O-CA 3.43Å; S319-I331 PolarHBondContact N-O 2.88Å; S319-I331 PolarHBondContact O-N 2.78Å
320	V	96.6	Very high	95.1	Very high	98 Å²	98	37.8 Å²	37.8	59%	0.594	22%	0.222	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-96.1	135.7	-174.9	-178.6	0	0	0	0	110.2	T328 I329	V320-T328 HydrophobicContact CG1-CG2 3.93Å; V320-I329 WeakPolarHBondContact CA-O 2.98Å
321	Y	96.8	Very high	95.1	Very high	47 Å²	47	37.1 Å²	37.1	18%	0.184	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	141.4	-178.6	-65.7	-95.5	0	0	0	110.6	L306 Q310 I315 S319 T328 I329 I331	L306-Y321 HydrophobicContact CD1-CD1 4.34Å; L306-Y321 HydrophobicContact CD1-CG 4.25Å; Q310-Y321 HydrophobicContact CG-CD1 4.24Å; Q310-Y321 HydrophobicContact CG-CE1 3.78Å; Q310-Y321 VanDerWaalsContact OE1-CE1 3.31Å; Q310-Y321 PolarHBondContact OE1-OH 3.3Å; I315-Y321 HydrophobicContact CD1-CE2 4.46Å; I315-Y321 WeakPolarHBondContact CD1-OH 3.5Å; S319-Y321 WeakPolarHBondContact O-CD2 3.42Å; Y321-T328 CarbonylContact O-C 3.52Å; Y321-T328 WeakPolarHBondContact O-CA 3.3Å; Y321-T328 VanDerWaalsContact O-CB 3.25Å; Y321-T328 WeakPolarHBondContact O-CB 3.27Å; Y321-I329 PolarHBondContact N-O 2.91Å; Y321-I329 PolarHBondContact O-N 2.84Å; Y321-I331 HydrophobicContact CD2-CB 3.93Å; Y321-I331 HydrophobicContact CD2-CD1 3.68Å; Y321-I331 HydrophobicContact CD2-CG1 3.93Å; Y321-I331 HydrophobicContact CE2-CB 3.85Å; Y321-I331 HydrophobicContact CE2-CD1 4.04Å; Y321-I331 HydrophobicContact CE2-CG1 4.3Å; Y321-I331 HydrophobicContact CG-CD1 4.1Å
322	E	97.8	Very high	95	Very high	143 Å²	143	37.2 Å²	37.2	67%	0.668	22%	0.22	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	132.4	173.2	-169.1	174.6	162.8	0	0	109.9	L306 T328	L306-E322 WeakPolarHBondContact CD2-O 3.14Å; E322-T328 HydrophobicContact CB-CG2 4.43Å
323	T	98.3	Very high	94.9	Very high	3 Å²	3	37.7 Å²	37.7	2%	0.018	22%	0.223	C	C	.	.			trans	-93.7	167.9	178.7	68.8	0	0	0	0	111	Y303 L305 L306 E325 G326 S327 I329	Y303-T323 HydrophobicContact CD2-CG2 3.75Å; Y303-T323 WeakPolarHBondContact CD2-OG1 3.45Å; Y303-T323 HydrophobicContact CE2-CG2 3.98Å; Y303-T323 WeakPolarHBondContact O-CG2 3.46Å; L305-T323 CarbonylContact O-C 3.59Å; L305-T323 WeakPolarHBondContact O-CA 3.37Å; L306-T323 HydrophobicContact CD2-CG2 3.8Å; T323-E325 PolarHBondContact O-N 2.98Å; T323-E325 VanDerWaalsContact O-N 3.1Å; T323-E325 PolarHBondContact OG1-N 3.43Å; T323-G326 PolarHBondContact O-N 3.49Å; T323-S327 WeakPolarHBondContact CB-O 3.26Å; T323-S327 WeakPolarHBondContact CG2-O 3.22Å; T323-S327 PolarHBondContact N-O 3.29Å; T323-S327 PolarHBondContact OG1-O 2.87Å; T323-I329 HydrophobicContact CG2-CD1 4.32Å; T323-I329 HydrophobicContact CG2-CG1 4Å; T323-I329 HydrophobicContact CG2-CG2 3.99Å
324	E	97.3	Very high	94.8	Very high	56 Å²	56	39.4 Å²	39.4	26%	0.262	23%	0.232	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.4	-1.1	175.4	-64.5	-57.8	103.1	0	0	114.1	K262 T302 L305 N307	K262-E324 IonicContact NZ-OE2 3.69Å; K262-E324 PolarHBondContact NZ-OE2 2.8Å; T302-E324 VanDerWaalsContact CB-C 3.49Å; T302-E324 WeakPolarHBondContact CB-O 3.16Å; T302-E324 HydrophobicContact CG2-CB 4.22Å; T302-E324 PolarHBondContact O-N 2.65Å; T302-E324 PolarHBondContact OG1-O 2.67Å; L305-E324 HydrophobicContact CB-CB 4.27Å; L305-E324 HydrophobicContact CB-CG 4.09Å; L305-E324 HydrophobicContact CD2-CB 4.31Å; L305-E324 HydrophobicContact CD2-CG 3.86Å; L305-E324 HydrophobicContact CG-CB 4.42Å; L305-E324 HydrophobicContact CG-CG 3.78Å; L305-E324 PolarHBondContact O-N 2.91Å; N307-E324 WeakPolarHBondContact CB-OE1 3.18Å; N307-E324 PolarHBondContact N-OE1 3.14Å; N307-E324 PolarHBondContact ND2-OE1 3.04Å; N307-E324 PolarHBondContact ND2-OE2 3.17Å; N307-E324 VanDerWaalsContact OD1-CD 3.24Å; N307-E324 PolarHBondContact OD1-OE1 3.49Å; N307-E324 PolarHBondContact OD1-OE2 3.33Å
325	E	96.6	Very high	94.6	Very high	50 Å²	50	39.9 Å²	39.9	23%	0.234	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.9	-21.2	166.2	-169.1	-88.6	-179.6	0	0	112.5	A299 T302 Y303 T323 S327 P367 S369	A299-E325 HydrophobicContact CB-CG 3.69Å; T302-E325 WeakPolarHBondContact OG1-CA 3.44Å; T302-E325 WeakPolarHBondContact OG1-CB 3.44Å; T302-E325 PolarHBondContact OG1-N 2.83Å; Y303-E325 HydrophobicContact CD2-CB 4.37Å; T323-E325 PolarHBondContact O-N 2.98Å; T323-E325 VanDerWaalsContact O-N 3.1Å; T323-E325 PolarHBondContact OG1-N 3.43Å; E325-S327 WeakPolarHBondContact OE2-CA 3.45Å; E325-S327 WeakPolarHBondContact OE2-CB 3.49Å; E325-S327 PolarHBondContact OE2-N 3.28Å; E325-S327 PolarHBondContact OE2-OG 2.85Å; E325-P367 HydrophobicContact CG-CB 4.45Å; E325-S369 VanDerWaalsContact OE1-CB 3.26Å; E325-S369 WeakPolarHBondContact OE1-CB 3.23Å; E325-S369 PolarHBondContact OE1-OG 3.37Å
326	G	94.8	Very high	94.2	Very high	43 Å²	43	42.9 Å²	42.9	44%	0.443	25%	0.254	S	S	.	.	S	Bend	trans	98.9	-25.8	-175.5	0	0	0	0	0	113.6	T323	T323-G326 PolarHBondContact O-N 3.49Å
327	S	94.4	Very high	94.2	Very high	42 Å²	42	45 Å²	45	29%	0.294	27%	0.269	S	S	.	.			trans	-67.3	160.4	166.9	-62.4	0	0	0	0	111.3	T323 E325	T323-S327 WeakPolarHBondContact CB-O 3.26Å; T323-S327 WeakPolarHBondContact CG2-O 3.22Å; T323-S327 PolarHBondContact N-O 3.29Å; T323-S327 PolarHBondContact OG1-O 2.87Å; E325-S327 WeakPolarHBondContact OE2-CA 3.45Å; E325-S327 WeakPolarHBondContact OE2-CB 3.49Å; E325-S327 PolarHBondContact OE2-N 3.28Å; E325-S327 PolarHBondContact OE2-OG 2.85Å
328	T	96.4	Very high	94.4	Very high	74 Å²	74	44.4 Å²	44.4	45%	0.454	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	157.2	-179.8	59.6	0	0	0	0	113.1	Y303 V320 Y321 E322	Y303-T328 PolarHBondContact OH-O 2.85Å; V320-T328 HydrophobicContact CG1-CG2 3.93Å; Y321-T328 CarbonylContact O-C 3.52Å; Y321-T328 WeakPolarHBondContact O-CA 3.3Å; Y321-T328 VanDerWaalsContact O-CB 3.25Å; Y321-T328 WeakPolarHBondContact O-CB 3.27Å; E322-T328 HydrophobicContact CB-CG2 4.43Å
329	I	97.3	Very high	94.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.005	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	148.1	167	57.3	172.4	0	0	0	110.2	F272 Y303 L306 V320 Y321 T323 I331 V340 N341	F272-I329 HydrophobicContact CD2-CD1 4.12Å; F272-I329 HydrophobicContact CE2-CD1 3.85Å; Y303-I329 HydrophobicContact CE1-CG2 4.06Å; Y303-I329 HydrophobicContact CE2-CG2 3.75Å; Y303-I329 VanDerWaalsContact CZ-CG2 3.47Å; Y303-I329 WeakPolarHBondContact OH-CG2 3.02Å; L306-I329 HydrophobicContact CD2-CD1 4.05Å; L306-I329 HydrophobicContact CD2-CG1 4.29Å; V320-I329 WeakPolarHBondContact CA-O 2.98Å; Y321-I329 PolarHBondContact N-O 2.91Å; Y321-I329 PolarHBondContact O-N 2.84Å; T323-I329 HydrophobicContact CG2-CD1 4.32Å; T323-I329 HydrophobicContact CG2-CG1 4Å; T323-I329 HydrophobicContact CG2-CG2 3.99Å; I329-I331 HydrophobicContact CD1-CD1 4.09Å; I329-I331 HydrophobicContact CD1-CG1 4.03Å; I329-I331 HydrophobicContact CG1-CG1 4.29Å; I329-V340 HydrophobicContact CB-CG1 4.34Å; I329-V340 HydrophobicContact CD1-CG1 4.22Å; I329-N341 WeakPolarHBondContact CA-OD1 3.49Å
330	E	97.2	Very high	94.8	Very high	90 Å²	90	41.3 Å²	41.3	42%	0.421	24%	0.235	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.4	118.9	166.9	-172.8	179.1	172	0	0	109.9	G318 S319 V340 N341	G318-E330 WeakPolarHBondContact CA-OE1 3.34Å; S319-E330 WeakPolarHBondContact O-CA 3.43Å; E330-V340 CarbonylContact O-C 3.41Å; E330-V340 WeakPolarHBondContact O-CA 3.35Å; E330-N341 PolarHBondContact N-OD1 2.76Å; E330-N341 PolarHBondContact O-N 3.46Å
331	I	97.4	Very high	94.7	Very high	1 Å²	1	40.1 Å²	40.1	1%	0.005	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.1	169.8	-57.9	168.3	0	0	0	108.1	F272 L306 I315 G318 S319 Y321 I329 L338 T339	F272-I331 HydrophobicContact CE2-CD1 3.72Å; F272-I331 HydrophobicContact CE2-CG1 4.37Å; F272-I331 HydrophobicContact CZ-CD1 3.53Å; F272-I331 HydrophobicContact CZ-CG1 3.98Å; L306-I331 HydrophobicContact CD1-CD1 3.7Å; I315-I331 HydrophobicContact CD1-CG2 4.07Å; I315-I331 HydrophobicContact CG1-CG2 3.93Å; I315-I331 HydrophobicContact CG2-CG2 4.19Å; G318-I331 WeakPolarHBondContact CA-O 3.34Å; S319-I331 PolarHBondContact N-O 2.88Å; S319-I331 PolarHBondContact O-N 2.78Å; Y321-I331 HydrophobicContact CD2-CB 3.93Å; Y321-I331 HydrophobicContact CD2-CD1 3.68Å; Y321-I331 HydrophobicContact CD2-CG1 3.93Å; Y321-I331 HydrophobicContact CE2-CB 3.85Å; Y321-I331 HydrophobicContact CE2-CD1 4.04Å; Y321-I331 HydrophobicContact CE2-CG1 4.3Å; Y321-I331 HydrophobicContact CG-CD1 4.1Å; I329-I331 HydrophobicContact CD1-CD1 4.09Å; I329-I331 HydrophobicContact CD1-CG1 4.03Å; I329-I331 HydrophobicContact CG1-CG1 4.29Å; I331-L338 HydrophobicContact CG2-CD1 3.95Å; I331-L338 HydrophobicContact CG2-CG 4.34Å; I331-T339 WeakPolarHBondContact CA-O 3.21Å
332	G	95.8	Very high	94.6	Very high	2 Å²	2	40.4 Å²	40.4	2%	0.021	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	-164.3	-178.8	0	0	0	0	0	111.7	L338 T339	G332-L338 WeakPolarHBondContact O-CD1 3.09Å; G332-T339 WeakPolarHBondContact CA-OG1 3.22Å; G332-T339 PolarHBondContact N-O 2.81Å; G332-T339 PolarHBondContact O-N 2.6Å; G332-T339 PolarHBondContact O-OG1 3.17Å
333	C	93.3	Very high	94.5	Very high	17 Å²	17	37.2 Å²	37.2	12%	0.115	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	147	179.5	48.8	0	0	0	0	111	C69 I315 S337 T339	C69-C333 CarbonylContact C-O 3.51Å; C69-C333 WeakPolarHBondContact CA-O 3.38Å; C69-C333 WeakPolarHBondContact CA-SG 3.23Å; C69-C333 HydrophobicContact CB-CB 3.57Å; C69-C333 WeakPolarHBondContact CB-SG 3.48Å; C69-C333 WeakPolarHBondContact SG-CB 3.44Å; C69-C333 CovalentContact SG-SG 2.03Å; C69-C333 PolarHBondContact SG-SG 3Å; I315-C333 HydrophobicContact CG2-CB 4.43Å; I315-C333 PolarHBondContact O-SG 2.94Å; C333-S337 CarbonylContact C-O 3.54Å; C333-S337 VanDerWaalsContact CA-O 3.22Å; C333-S337 WeakPolarHBondContact CA-O 3.5Å; C333-T339 PolarHBondContact N-OG1 2.91Å
334	D	90.4	Very high	94.4	Very high	44 Å²	44	42.3 Å²	42.3	24%	0.235	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	107.1	167.2	174.2	55.5	0	0	0	110.7	C69 K71 S337 K344	C69-D334 CarbonylContact O-C 3.48Å; C69-D334 VanDerWaalsContact O-CA 3.3Å; C69-D334 WeakPolarHBondContact O-CA 3.25Å; K71-D334 VanDerWaalsContact CE-OD1 3.3Å; K71-D334 WeakPolarHBondContact CE-OD1 3.49Å; K71-D334 IonicContact NZ-OD1 3.47Å; K71-D334 PolarHBondContact NZ-OD1 2.67Å; K71-D334 IonicContact NZ-OD2 2.7Å; K71-D334 PolarHBondContact NZ-OD2 2.68Å; D334-S337 PolarHBondContact N-O 2.72Å; D334-K344 PolarHBondContact O-NZ 3.21Å; D334-K344 WeakPolarHBondContact OD2-CE 3.19Å; D334-K344 IonicContact OD2-NZ 3.61Å; D334-K344 PolarHBondContact OD2-NZ 3.1Å
335	G	87.6	Confident	94.4	Very high	13 Å²	13	40 Å²	40	13%	0.134	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	63	-137.3	-160.7	0	0	0	0	0	110.6	C69 S337	C69-G335 WeakPolarHBondContact CB-O 3.4Å; C69-G335 PolarHBondContact O-N 3.4Å; G335-S337 VanDerWaalsContact C-N 3.32Å
336	D	85.2	Confident	94.4	Very high	73 Å²	73	38.7 Å²	38.7	39%	0.39	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-80.7	-8.6	177.7	-68	-72.2	0	0	0	114.6	T52 K54 K349	T52-D336 VanDerWaalsContact CG2-OD2 3.29Å; T52-D336 WeakPolarHBondContact CG2-OD2 3.38Å; K54-D336 WeakPolarHBondContact CD-OD1 3.24Å; K54-D336 WeakPolarHBondContact CE-OD1 3.08Å; K54-D336 IonicContact NZ-OD1 3.95Å; K54-D336 PolarHBondContact NZ-OD1 2.96Å; D336-K349 PolarHBondContact O-NZ 2.85Å
337	S	89.7	Confident	94.5	Very high	51 Å²	51	42 Å²	42	36%	0.357	24%	0.244	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	123.2	175.3	-54.3	0	0	0	0	110.7	C333 D334 G335	C333-S337 CarbonylContact C-O 3.54Å; C333-S337 VanDerWaalsContact CA-O 3.22Å; C333-S337 WeakPolarHBondContact CA-O 3.5Å; D334-S337 PolarHBondContact N-O 2.72Å; G335-S337 VanDerWaalsContact C-N 3.32Å
338	L	95.1	Very high	94.6	Very high	6 Å²	6	43.9 Å²	43.9	3%	0.031	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	142.9	165.8	-166	71.7	0	0	0	108.8	F272 A312 I315 I331 G332 V346	F272-L338 HydrophobicContact CE1-CD2 4.19Å; A312-L338 HydrophobicContact CB-CD1 4.27Å; A312-L338 HydrophobicContact CB-CD2 4.44Å; I315-L338 HydrophobicContact CB-CD1 3.93Å; I315-L338 HydrophobicContact CG1-CD1 3.87Å; I315-L338 HydrophobicContact CG2-CD1 4.11Å; I331-L338 HydrophobicContact CG2-CD1 3.95Å; I331-L338 HydrophobicContact CG2-CG 4.34Å; G332-L338 WeakPolarHBondContact O-CD1 3.09Å; L338-V346 HydrophobicContact CB-CB 4.07Å; L338-V346 HydrophobicContact CB-CG1 4.19Å; L338-V346 HydrophobicContact CB-CG2 4Å; L338-V346 HydrophobicContact CD2-CG1 4.35Å; L338-V346 HydrophobicContact CD2-CG2 4.11Å; L338-V346 HydrophobicContact CG-CG2 4.24Å
339	T	95.9	Very high	94.6	Very high	13 Å²	13	43.1 Å²	43.1	8%	0.08	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	136.2	179.8	62.9	0	0	0	0	111.4	I331 G332 C333 I343 K344	I331-T339 WeakPolarHBondContact CA-O 3.21Å; G332-T339 WeakPolarHBondContact CA-OG1 3.22Å; G332-T339 PolarHBondContact N-O 2.81Å; G332-T339 PolarHBondContact O-N 2.6Å; G332-T339 PolarHBondContact O-OG1 3.17Å; C333-T339 PolarHBondContact N-OG1 2.91Å; T339-I343 CarbonylContact C-O 3.48Å; T339-I343 WeakPolarHBondContact CA-O 3.3Å; T339-I343 WeakPolarHBondContact CB-O 3.3Å; T339-K344 HydrophobicContact CG2-CG 3.79Å
340	V	97.3	Very high	94.5	Very high	0 Å²	0	43.6 Å²	43.6	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	128.9	171.7	-174.5	0	0	0	0	108.4	F272 I329 E330 G342 I343 M345 V346 L365	F272-V340 HydrophobicContact CD1-CG2 3.82Å; F272-V340 HydrophobicContact CE1-CG2 3.65Å; F272-V340 HydrophobicContact CZ-CG2 4.26Å; I329-V340 HydrophobicContact CB-CG1 4.34Å; I329-V340 HydrophobicContact CD1-CG1 4.22Å; E330-V340 CarbonylContact O-C 3.41Å; E330-V340 WeakPolarHBondContact O-CA 3.35Å; V340-G342 PolarHBondContact O-N 3.29Å; V340-G342 VanDerWaalsContact O-N 3.11Å; V340-I343 PolarHBondContact N-O 3.49Å; V340-I343 WeakPolarHBondContact O-CB 3.44Å; V340-I343 PolarHBondContact O-N 3.31Å; V340-M345 HydrophobicContact CB-CE 4.43Å; V340-M345 HydrophobicContact CB-CG 4.21Å; V340-M345 HydrophobicContact CB-SD 3.92Å; V340-M345 HydrophobicContact CG2-CG 4.39Å; V340-M345 HydrophobicContact CG2-SD 4.39Å; V340-V346 HydrophobicContact CG2-CG2 4.14Å; V340-L365 HydrophobicContact CG1-CD1 4.09Å; V340-L365 HydrophobicContact CG1-CD2 3.78Å
341	N	95.1	Very high	94.6	Very high	73 Å²	73	40.7 Å²	40.7	39%	0.39	23%	0.226	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.2	33.9	-173	-63.7	-22.2	0	0	0	113.3	I329 E330 I343	I329-N341 WeakPolarHBondContact CA-OD1 3.49Å; E330-N341 PolarHBondContact N-OD1 2.76Å; E330-N341 PolarHBondContact O-N 3.46Å; N341-I343 VanDerWaalsContact C-N 3.3Å; N341-I343 PolarHBondContact O-N 2.91Å
342	G	94.1	Very high	94.6	Very high	54 Å²	54	42.4 Å²	42.4	56%	0.557	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	80.4	-3.4	-176.8	0	0	0	0	0	115.7	V340	V340-G342 PolarHBondContact O-N 3.29Å; V340-G342 VanDerWaalsContact O-N 3.11Å
343	I	95.8	Very high	94.6	Very high	75 Å²	75	42.5 Å²	42.5	39%	0.385	24%	0.238	S	C	.	.	B	Isolated β-bridge	trans	-95.9	135.6	-176.7	-54.9	174	0	0	0	110.3	T339 V340 N341 M345	T339-I343 CarbonylContact C-O 3.48Å; T339-I343 WeakPolarHBondContact CA-O 3.3Å; T339-I343 WeakPolarHBondContact CB-O 3.3Å; V340-I343 PolarHBondContact N-O 3.49Å; V340-I343 WeakPolarHBondContact O-CB 3.44Å; V340-I343 PolarHBondContact O-N 3.31Å; N341-I343 VanDerWaalsContact C-N 3.3Å; N341-I343 PolarHBondContact O-N 2.91Å; I343-M345 HydrophobicContact CB-CE 3.93Å; I343-M345 HydrophobicContact CD1-CE 4.15Å; I343-M345 HydrophobicContact CG2-CB 4.26Å; I343-M345 HydrophobicContact CG2-CE 4.08Å; I343-M345 PolarHBondContact O-N 3.02Å
344	K	95.9	Very high	94.8	Very high	111 Å²	111	44 Å²	44	48%	0.483	25%	0.248	S	C	.	.			trans	-79.4	59.1	175.2	-70.5	-174.3	175.6	-170.3	0	112.5	D334 T339	D334-K344 PolarHBondContact O-NZ 3.21Å; D334-K344 WeakPolarHBondContact OD2-CE 3.19Å; D334-K344 IonicContact OD2-NZ 3.61Å; D334-K344 PolarHBondContact OD2-NZ 3.1Å; T339-K344 HydrophobicContact CG2-CG 3.79Å
345	M	96.4	Very high	95.1	Very high	6 Å²	6	42 Å²	42	3%	0.03	24%	0.238	C	C	.	.			trans	-86.9	-12.4	-178.2	60.4	174.4	69.7	0	0	114.6	V340 I343 L347 I361 D362 Q363 L365	V340-M345 HydrophobicContact CB-CE 4.43Å; V340-M345 HydrophobicContact CB-CG 4.21Å; V340-M345 HydrophobicContact CB-SD 3.92Å; V340-M345 HydrophobicContact CG2-CG 4.39Å; V340-M345 HydrophobicContact CG2-SD 4.39Å; I343-M345 HydrophobicContact CB-CE 3.93Å; I343-M345 HydrophobicContact CD1-CE 4.15Å; I343-M345 HydrophobicContact CG2-CB 4.26Å; I343-M345 HydrophobicContact CG2-CE 4.08Å; I343-M345 PolarHBondContact O-N 3.02Å; M345-L347 PolarHBondContact O-N 3.16Å; M345-I361 HydrophobicContact CB-CB 4.41Å; M345-I361 HydrophobicContact CG-CB 4.11Å; M345-I361 HydrophobicContact CG-CG2 4.06Å; M345-I361 CarbonylContact O-C 3.58Å; M345-I361 VanDerWaalsContact O-CA 3.27Å; M345-I361 WeakPolarHBondContact O-CA 3.44Å; M345-I361 HydrophobicContact SD-CB 4.05Å; M345-I361 HydrophobicContact SD-CD1 4.08Å; M345-I361 HydrophobicContact SD-CG2 4.16Å; M345-D362 WeakPolarHBondContact CA-OD1 3.47Å; M345-D362 WeakPolarHBondContact CB-OD1 3.37Å; M345-D362 PolarHBondContact O-N 2.91Å; M345-Q363 HydrophobicContact CB-CB 4.41Å; M345-Q363 HydrophobicContact CE-CB 4.09Å; M345-Q363 HydrophobicContact SD-CB 4.37Å; M345-L365 HydrophobicContact CE-CD2 3.81Å; M345-L365 HydrophobicContact SD-CD2 3.64Å; M345-L365 HydrophobicContact SD-CG 4.49Å
346	V	97.6	Very high	95.5	Very high	23 Å²	23	41.8 Å²	41.8	14%	0.139	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	112.8	-171.6	-178.7	0	0	0	0	111.3	L338 V340 K349 H359 L360 I361	L338-V346 HydrophobicContact CB-CB 4.07Å; L338-V346 HydrophobicContact CB-CG1 4.19Å; L338-V346 HydrophobicContact CB-CG2 4Å; L338-V346 HydrophobicContact CD2-CG1 4.35Å; L338-V346 HydrophobicContact CD2-CG2 4.11Å; L338-V346 HydrophobicContact CG-CG2 4.24Å; V340-V346 HydrophobicContact CG2-CG2 4.14Å; V346-K349 HydrophobicContact CG1-CB 4.02Å; V346-H359 HydrophobicContact CG1-CB 4.07Å; V346-L360 CarbonylContact C-O 3.58Å; V346-L360 WeakPolarHBondContact CA-O 3.36Å; V346-I361 HydrophobicContact CG2-CG2 4.03Å
347	L	96.8	Very high	96.1	Very high	113 Å²	113	38.3 Å²	38.3	59%	0.592	22%	0.216	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-85.2	-48.4	-176.4	-62.7	174.6	0	0	0	112.8	T275 M345 L360 D362	T275-L347 HydrophobicContact CG2-CD1 3.99Å; M345-L347 PolarHBondContact O-N 3.16Å; L347-L360 PolarHBondContact N-O 2.85Å; L347-D362 HydrophobicContact CD1-CB 3.86Å; L347-D362 HydrophobicContact CD2-CB 3.93Å; L347-D362 HydrophobicContact CG-CB 3.92Å
348	K	96.4	Very high	96.6	Very high	81 Å²	81	35.9 Å²	35.9	35%	0.352	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	123.7	-171.4	175.5	176.4	153.1	-166.6	0	106.8	Y240 E244 E246 I351 H359 L360	Y240-K348 VanDerWaalsContact OH-CE 3.27Å; Y240-K348 WeakPolarHBondContact OH-CE 3.25Å; Y240-K348 PolarHBondContact OH-NZ 3.47Å; E244-K348 IonicContact OE2-NZ 2.65Å; E244-K348 PolarHBondContact OE2-NZ 2.98Å; E246-K348 IonicContact OE1-NZ 3.35Å; E246-K348 PolarHBondContact OE1-NZ 3.23Å; K348-I351 HydrophobicContact CD-CD1 4.3Å; K348-I351 HydrophobicContact CG-CD1 3.99Å; K348-I351 HydrophobicContact CG-CG1 4.27Å; K348-H359 CarbonylContact O-C 3.56Å; K348-H359 WeakPolarHBondContact O-CA 3.21Å; K348-L360 HydrophobicContact CB-CB 4.12Å; K348-L360 HydrophobicContact CB-CD1 4.17Å; K348-L360 HydrophobicContact CB-CG 3.97Å; K348-L360 HydrophobicContact CD-CD1 3.7Å; K348-L360 HydrophobicContact CD-CG 4.2Å; K348-L360 HydrophobicContact CG-CD1 4.34Å; K348-L360 HydrophobicContact CG-CG 4.31Å; K348-L360 PolarHBondContact O-N 2.99Å
349	K	95.9	Very high	96.8	Very high	59 Å²	59	35.6 Å²	35.6	26%	0.257	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	155.7	-166.3	68.8	-177.7	-171.8	173.6	0	112.8	A312 D336 V346 H359	A312-K349 HydrophobicContact CB-CD 3.75Å; A312-K349 HydrophobicContact CB-CG 4.4Å; D336-K349 PolarHBondContact O-NZ 2.85Å; V346-K349 HydrophobicContact CG1-CB 4.02Å; K349-H359 WeakPolarHBondContact CA-ND1 3.5Å
350	D	96.4	Very high	96.9	Very high	11 Å²	11	35 Å²	35	6%	0.059	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	59.8	40.8	179.6	-48.7	-53	0	0	0	113.9	C208 R228 A312 V352 H359	C208-D350 HydrophobicContact CB-CB 3.81Å; R228-D350 IonicContact CZ-OD2 2.64Å; R228-D350 IonicContact NH1-OD2 2.78Å; R228-D350 PolarHBondContact NH1-OD2 2.93Å; R228-D350 IonicContact NH2-OD2 3.38Å; R228-D350 PolarHBondContact NH2-OD2 3.01Å; A312-D350 WeakPolarHBondContact CB-OD1 3.47Å; A312-D350 PolarHBondContact N-OD1 3.41Å; D350-V352 PolarHBondContact O-N 3.07Å; D350-H359 PolarHBondContact N-CE1 3.44Å; D350-H359 PolarHBondContact N-ND1 3.29Å; D350-H359 IonicContact OD1-CE1 3.22Å
351	I	97.5	Very high	96.9	Very high	28 Å²	28	35 Å²	35	14%	0.144	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.2	108.3	166.9	-60.5	150.5	0	0	0	106.8	Y240 K348 V357 I358 L360	Y240-I351 HydrophobicContact CD1-CG2 4.45Å; Y240-I351 HydrophobicContact CD2-CG2 4.04Å; Y240-I351 HydrophobicContact CE1-CD1 4.01Å; Y240-I351 HydrophobicContact CE1-CG2 4.1Å; Y240-I351 HydrophobicContact CE2-CG2 3.71Å; Y240-I351 HydrophobicContact CG-CG2 4.4Å; Y240-I351 WeakPolarHBondContact OH-CD1 3.44Å; K348-I351 HydrophobicContact CD-CD1 4.3Å; K348-I351 HydrophobicContact CG-CD1 3.99Å; K348-I351 HydrophobicContact CG-CG1 4.27Å; I351-V357 CarbonylContact O-C 3.57Å; I351-V357 WeakPolarHBondContact O-CA 3.34Å; I351-I358 HydrophobicContact CB-CB 4.04Å; I351-I358 WeakPolarHBondContact CB-O 3.26Å; I351-I358 HydrophobicContact CD1-CB 4.3Å; I351-I358 HydrophobicContact CD1-CG2 4.44Å; I351-I358 HydrophobicContact CG2-CB 4.32Å; I351-I358 HydrophobicContact CG2-CD1 4.42Å; I351-I358 PolarHBondContact N-O 2.96Å; I351-I358 PolarHBondContact O-N 2.89Å; I351-L360 HydrophobicContact CD1-CD1 4.47Å; I351-L360 HydrophobicContact CD1-CD2 3.66Å; I351-L360 HydrophobicContact CD1-CG 3.77Å
352	V	97.4	Very high	97.1	Very high	37 Å²	37	33.3 Å²	33.3	22%	0.224	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	128.5	-175.1	-173.1	0	0	0	0	110.6	N207 C208 V233 D350	N207-V352 HydrophobicContact CB-CG1 4.45Å; N207-V352 HydrophobicContact CB-CG2 4.26Å; N207-V352 WeakPolarHBondContact O-CG2 3.47Å; C208-V352 HydrophobicContact CB-CG2 4.16Å; V233-V352 HydrophobicContact CG2-CB 4.05Å; V233-V352 HydrophobicContact CG2-CG1 3.73Å; D350-V352 PolarHBondContact O-N 3.07Å
353	A	97.1	Very high	97.2	Very high	5 Å²	5	33.9 Å²	33.9	4%	0.041	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	160.4	173.8	0	0	0	0	0	110.4	V233 G235 I237 N355 G356	V233-A353 VanDerWaalsContact CG1-C 3.46Å; G235-A353 WeakPolarHBondContact O-CA 3.41Å; I237-A353 HydrophobicContact CG1-CB 3.73Å; A353-N355 PolarHBondContact O-N 3.41Å; A353-G356 PolarHBondContact N-O 3.44Å; A353-G356 PolarHBondContact O-N 3.35Å; A353-G356 VanDerWaalsContact O-N 3.13Å
354	S	96.2	Very high	97.3	Very high	48 Å²	48	31.1 Å²	31.1	34%	0.336	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-14.1	-174.5	63.3	0	0	0	0	114.5	F195 G235 T236	F195-S354 VanDerWaalsContact CE1-O 3.27Å; F195-S354 WeakPolarHBondContact CE1-O 3.37Å; G235-S354 PolarHBondContact O-N 2.87Å; G235-S354 PolarHBondContact O-OG 3.47Å; T236-S354 WeakPolarHBondContact CG2-OG 3.49Å; T236-S354 PolarHBondContact N-OG 2.98Å
355	N	96.8	Very high	97.3	Very high	3 Å²	3	26.1 Å²	26.1	2%	0.016	14%	0.139	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.8	12.5	176	63	-17	0	0	0	113.8	T236 I237 L263 Q265 G267 Q268 F269 A353	T236-N355 WeakPolarHBondContact CA-OD1 3.43Å; I237-N355 WeakPolarHBondContact CG1-OD1 3.13Å; I237-N355 PolarHBondContact N-OD1 3.5Å; L263-N355 PolarHBondContact O-ND2 3.33Å; Q265-N355 WeakPolarHBondContact O-CB 3.5Å; Q265-N355 PolarHBondContact O-ND2 3.38Å; G267-N355 CarbonylContact C-O 3.22Å; G267-N355 VanDerWaalsContact C-O 3.31Å; G267-N355 CarbonylContact O-C 3.56Å; G267-N355 WeakPolarHBondContact O-CA 3.38Å; Q268-N355 WeakPolarHBondContact CA-O 3.49Å; Q268-N355 PolarHBondContact N-O 2.92Å; F269-N355 HydrophobicContact CD2-CB 4.34Å; F269-N355 VanDerWaalsContact CD2-O 3.31Å; F269-N355 WeakPolarHBondContact CD2-O 2.94Å; F269-N355 PolarHBondContact N-O 3.45Å; A353-N355 PolarHBondContact O-N 3.41Å
356	G	97.4	Very high	97.3	Very high	7 Å²	7	27.9 Å²	27.9	7%	0.072	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167	-157.8	177.5	0	0	0	0	0	116.6	F269 A353	F269-G356 CarbonylContact O-C 3.58Å; F269-G356 WeakPolarHBondContact O-CA 3.44Å; A353-G356 PolarHBondContact N-O 3.44Å; A353-G356 PolarHBondContact O-N 3.35Å; A353-G356 VanDerWaalsContact O-N 3.13Å
357	V	98.4	Very high	97.2	Very high	0 Å²	0	26.8 Å²	26.8	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	145.3	174.6	68.5	0	0	0	0	110.5	F269 T270 L271 V309 I351	F269-V357 PolarHBondContact O-N 3.01Å; T270-V357 CarbonylContact C-O 3.57Å; T270-V357 WeakPolarHBondContact CA-O 3.3Å; T270-V357 HydrophobicContact CG2-CG1 3.98Å; L271-V357 PolarHBondContact N-O 3Å; V309-V357 HydrophobicContact CG1-CB 4.01Å; V309-V357 HydrophobicContact CG1-CG1 3.74Å; I351-V357 CarbonylContact O-C 3.57Å; I351-V357 WeakPolarHBondContact O-CA 3.34Å
358	I	98.8	Very high	97	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	137.9	176.9	-44.8	171.5	0	0	0	109.1	I237 Y240 L271 A273 I351 L360	I237-I358 HydrophobicContact CB-CD1 4.24Å; I237-I358 HydrophobicContact CD1-CG1 4.4Å; I237-I358 HydrophobicContact CG1-CD1 4.05Å; I237-I358 HydrophobicContact CG1-CG1 3.9Å; I237-I358 HydrophobicContact CG2-CD1 3.96Å; I237-I358 HydrophobicContact CG2-CG1 4.22Å; Y240-I358 HydrophobicContact CD1-CD1 3.25Å; Y240-I358 HydrophobicContact CE1-CD1 3.98Å; Y240-I358 HydrophobicContact CE1-CG2 4.47Å; Y240-I358 HydrophobicContact CG-CD1 3.72Å; L271-I358 HydrophobicContact CB-CG1 4.4Å; L271-I358 HydrophobicContact CB-CG2 4.32Å; L271-I358 HydrophobicContact CD2-CG2 4.23Å; L271-I358 HydrophobicContact CG-CG2 4.35Å; L271-I358 CarbonylContact O-C 3.59Å; L271-I358 VanDerWaalsContact O-CA 3.31Å; L271-I358 WeakPolarHBondContact O-CA 3.38Å; A273-I358 HydrophobicContact CB-CG2 3.71Å; I351-I358 HydrophobicContact CB-CB 4.04Å; I351-I358 WeakPolarHBondContact CB-O 3.26Å; I351-I358 HydrophobicContact CD1-CB 4.3Å; I351-I358 HydrophobicContact CD1-CG2 4.44Å; I351-I358 HydrophobicContact CG2-CB 4.32Å; I351-I358 HydrophobicContact CG2-CD1 4.42Å; I351-I358 PolarHBondContact N-O 2.96Å; I351-I358 PolarHBondContact O-N 2.89Å; I358-L360 HydrophobicContact CG2-CD2 3.98Å
359	H	98.6	Very high	96.9	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	122.5	170.4	-55.7	-70	0	0	0	108	L271 F272 A273 Q310 V346 K348 K349 D350	L271-H359 PolarHBondContact O-N 3.07Å; F272-H359 CarbonylContact C-O 3.29Å; F272-H359 VanDerWaalsContact CA-O 3.29Å; F272-H359 WeakPolarHBondContact CA-O 3.4Å; F272-H359 HydrophobicContact CD1-CB 3.91Å; F272-H359 HydrophobicContact CE1-CB 4.04Å; F272-H359 AromaticContact CE1-CD2 3.73Å; A273-H359 PolarHBondContact N-O 3.23Å; Q310-H359 PolarHBondContact O-NE2 3.35Å; V346-H359 HydrophobicContact CG1-CB 4.07Å; K348-H359 CarbonylContact O-C 3.56Å; K348-H359 WeakPolarHBondContact O-CA 3.21Å; K349-H359 WeakPolarHBondContact CA-ND1 3.5Å; D350-H359 PolarHBondContact N-CE1 3.44Å; D350-H359 PolarHBondContact N-ND1 3.29Å; D350-H359 IonicContact OD1-CE1 3.22Å
360	L	98.7	Very high	96.7	Very high	2 Å²	2	18.5 Å²	18.5	1%	0.01	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	138.9	178.7	-49.6	-163	0	0	0	110.5	Y240 E246 L247 A273 T275 V346 L347 K348 I351 I358	Y240-L360 HydrophobicContact CE1-CD2 4.24Å; E246-L360 HydrophobicContact CG-CD1 4.34Å; E246-L360 WeakPolarHBondContact OE1-CD1 3.33Å; L247-L360 HydrophobicContact CD1-CD2 3.93Å; L247-L360 HydrophobicContact CD2-CD1 4.31Å; L247-L360 HydrophobicContact CD2-CD2 4.04Å; A273-L360 HydrophobicContact CB-CD2 3.85Å; A273-L360 CarbonylContact O-C 3.58Å; A273-L360 VanDerWaalsContact O-CA 3.26Å; A273-L360 WeakPolarHBondContact O-CA 3.47Å; T275-L360 HydrophobicContact CG2-CB 4.18Å; T275-L360 HydrophobicContact CG2-CD1 4.3Å; V346-L360 CarbonylContact C-O 3.58Å; V346-L360 WeakPolarHBondContact CA-O 3.36Å; L347-L360 PolarHBondContact N-O 2.85Å; K348-L360 HydrophobicContact CB-CB 4.12Å; K348-L360 HydrophobicContact CB-CD1 4.17Å; K348-L360 HydrophobicContact CB-CG 3.97Å; K348-L360 HydrophobicContact CD-CD1 3.7Å; K348-L360 HydrophobicContact CD-CG 4.2Å; K348-L360 HydrophobicContact CG-CD1 4.34Å; K348-L360 HydrophobicContact CG-CG 4.31Å; K348-L360 PolarHBondContact O-N 2.99Å; I351-L360 HydrophobicContact CD1-CD1 4.47Å; I351-L360 HydrophobicContact CD1-CD2 3.66Å; I351-L360 HydrophobicContact CD1-CG 3.77Å; I358-L360 HydrophobicContact CG2-CD2 3.98Å
361	I	98.5	Very high	96.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	146.6	-177.9	64.1	177.5	0	0	0	112.5	F272 A273 P274 T275 M345 V346 Q363 L365	F272-I361 HydrophobicContact CB-CD1 4.05Å; F272-I361 HydrophobicContact CB-CG2 4.14Å; F272-I361 HydrophobicContact CD1-CG2 4.01Å; A273-I361 PolarHBondContact O-N 2.95Å; P274-I361 WeakPolarHBondContact CA-O 3.48Å; P274-I361 HydrophobicContact CB-CD1 4.28Å; P274-I361 HydrophobicContact CB-CG1 3.91Å; T275-I361 PolarHBondContact N-O 2.9Å; T275-I361 VanDerWaalsContact N-O 3.13Å; M345-I361 HydrophobicContact CB-CB 4.41Å; M345-I361 HydrophobicContact CG-CB 4.11Å; M345-I361 HydrophobicContact CG-CG2 4.06Å; M345-I361 CarbonylContact O-C 3.58Å; M345-I361 VanDerWaalsContact O-CA 3.27Å; M345-I361 WeakPolarHBondContact O-CA 3.44Å; M345-I361 HydrophobicContact SD-CB 4.05Å; M345-I361 HydrophobicContact SD-CD1 4.08Å; M345-I361 HydrophobicContact SD-CG2 4.16Å; V346-I361 HydrophobicContact CG2-CG2 4.03Å; I361-Q363 WeakPolarHBondContact CD1-O 3.42Å; I361-Q363 VanDerWaalsContact CG1-O 3.3Å; I361-Q363 WeakPolarHBondContact CG1-O 3.4Å; I361-L365 HydrophobicContact CD1-CD1 4.12Å; I361-L365 HydrophobicContact CD1-CD2 4.45Å; I361-L365 HydrophobicContact CD1-CG 3.78Å
362	D	97.3	Very high	96	Very high	36 Å²	36	19.8 Å²	19.8	19%	0.193	11%	0.111	C	C	.	.	S	Bend	trans	-86.1	-2.7	-179.2	99.5	-61	0	0	0	114	A278 K281 M345 L347	A278-D362 WeakPolarHBondContact CA-O 3.32Å; A278-D362 WeakPolarHBondContact CB-O 3.47Å; K281-D362 WeakPolarHBondContact CD-O 3.05Å; K281-D362 PolarHBondContact NZ-O 3.47Å; K281-D362 IonicContact NZ-OD2 2.83Å; K281-D362 PolarHBondContact NZ-OD2 3.41Å; M345-D362 WeakPolarHBondContact CA-OD1 3.47Å; M345-D362 WeakPolarHBondContact CB-OD1 3.37Å; M345-D362 PolarHBondContact O-N 2.91Å; L347-D362 HydrophobicContact CD1-CB 3.86Å; L347-D362 HydrophobicContact CD2-CB 3.93Å; L347-D362 HydrophobicContact CG-CB 3.92Å
363	Q	97.4	Very high	95.7	Very high	66 Å²	66	18 Å²	18	31%	0.308	10%	0.101	S	C	.	.	S	Bend	trans	-140	137.5	-177.1	-78.3	159.5	75.6	0	0	109.7	M345 I361	M345-Q363 HydrophobicContact CB-CB 4.41Å; M345-Q363 HydrophobicContact CE-CB 4.09Å; M345-Q363 HydrophobicContact SD-CB 4.37Å; I361-Q363 WeakPolarHBondContact CD1-O 3.42Å; I361-Q363 VanDerWaalsContact CG1-O 3.3Å; I361-Q363 WeakPolarHBondContact CG1-O 3.4Å
364	V	97.3	Very high	95.4	Very high	18 Å²	18	23 Å²	23	11%	0.109	12%	0.118	C	C	.	.			trans	-72.6	130.9	173.7	177	0	0	0	0	110	P274 A278 F279 L282 L300 I366	P274-V364 HydrophobicContact CB-CG2 3.77Å; P274-V364 HydrophobicContact CG-CG2 4.13Å; A278-V364 HydrophobicContact CB-CG2 4.19Å; F279-V364 HydrophobicContact CD1-CG2 4.35Å; F279-V364 HydrophobicContact CD2-CG2 4.11Å; F279-V364 HydrophobicContact CE1-CG2 4.37Å; F279-V364 HydrophobicContact CE2-CG2 4.14Å; F279-V364 HydrophobicContact CG-CG2 4.22Å; F279-V364 HydrophobicContact CZ-CG2 4.28Å; L282-V364 HydrophobicContact CD1-CG2 4.21Å; L282-V364 HydrophobicContact CD2-CB 4.21Å; L282-V364 HydrophobicContact CD2-CG2 4.48Å; L300-V364 HydrophobicContact CD1-CG1 3.92Å; V364-I366 HydrophobicContact CG1-CG1 4.27Å; V364-I366 PolarHBondContact O-N 3.47Å
365	L	97.2	Very high	95.1	Very high	6 Å²	6	24.6 Å²	24.6	3%	0.031	12%	0.12	C	C	.	.			trans	-78.4	104.5	173	-58.2	175.2	0	0	0	109.3	F272 L300 Y303 H304 V340 M345 I361 P367	F272-L365 HydrophobicContact CB-CD1 4.17Å; L300-L365 WeakPolarHBondContact CD1-O 3.38Å; Y303-L365 HydrophobicContact CD1-CB 3.71Å; Y303-L365 WeakPolarHBondContact CD1-O 3.5Å; Y303-L365 HydrophobicContact CE1-CB 3.96Å; H304-L365 PolarHBondContact CE1-N 3.4Å; H304-L365 PolarHBondContact CE1-O 3.17Å; H304-L365 WeakPolarHBondContact NE2-CB 3.43Å; H304-L365 PolarHBondContact NE2-N 3Å; V340-L365 HydrophobicContact CG1-CD1 4.09Å; V340-L365 HydrophobicContact CG1-CD2 3.78Å; M345-L365 HydrophobicContact CE-CD2 3.81Å; M345-L365 HydrophobicContact SD-CD2 3.64Å; M345-L365 HydrophobicContact SD-CG 4.49Å; I361-L365 HydrophobicContact CD1-CD1 4.12Å; I361-L365 HydrophobicContact CD1-CD2 4.45Å; I361-L365 HydrophobicContact CD1-CG 3.78Å; L365-P367 WeakPolarHBondContact O-CD 3.49Å
366	I	95	Very high	95	Very high	43 Å²	43	24.4 Å²	24.4	22%	0.221	12%	0.12	C	C	.	.			trans	-94.7	113.3	178	-49.3	171.5	0	0	0	109.2	L282 F286 L300 V364 A370 K371	L282-I366 HydrophobicContact CD2-CD1 4Å; F286-I366 HydrophobicContact CE1-CD1 4.21Å; F286-I366 HydrophobicContact CE2-CD1 4.11Å; F286-I366 HydrophobicContact CE2-CG2 4.45Å; F286-I366 HydrophobicContact CZ-CD1 3.59Å; F286-I366 HydrophobicContact CZ-CG1 4.01Å; F286-I366 HydrophobicContact CZ-CG2 3.95Å; L300-I366 HydrophobicContact CD1-CB 4.42Å; L300-I366 HydrophobicContact CD1-CG1 4.29Å; L300-I366 HydrophobicContact CD1-CG2 4.37Å; V364-I366 HydrophobicContact CG1-CG1 4.27Å; V364-I366 PolarHBondContact O-N 3.47Å; I366-A370 HydrophobicContact CG2-CB 4.04Å; I366-K371 HydrophobicContact CG2-CG 3.76Å; I366-K371 WeakPolarHBondContact O-CE 3.18Å; I366-K371 PolarHBondContact O-NZ 3.44Å
367	P	95.2	Very high	94.8	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.126	C	C	.	.			trans	-67.4	158.5	172.8	28.9	-33.3	0	0	0	110.4	Y303 E325 L365 S369 A370	Y303-P367 HydrophobicContact CD1-CB 3.82Å; Y303-P367 HydrophobicContact CD1-CG 4.2Å; Y303-P367 HydrophobicContact CD2-CB 3.93Å; Y303-P367 HydrophobicContact CE1-CB 4.25Å; Y303-P367 HydrophobicContact CE2-CB 4.4Å; Y303-P367 HydrophobicContact CG-CB 3.66Å; Y303-P367 HydrophobicContact CG-CG 4.07Å; E325-P367 HydrophobicContact CG-CB 4.45Å; L365-P367 WeakPolarHBondContact O-CD 3.49Å; P367-S369 WeakPolarHBondContact CB-OG 3.43Å; P367-S369 PolarHBondContact O-N 2.64Å; P367-A370 HydrophobicContact CG-CB 3.8Å; P367-A370 PolarHBondContact O-N 3.42Å; P367-A370 VanDerWaalsContact O-N 3.14Å
368	D	94.5	Very high	94.5	Very high	44 Å²	44	26.8 Å²	26.8	24%	0.235	14%	0.137	C	C	.	.	G	3₁₀ helix	trans	-62.3	-30.9	177.8	-82.3	2.7	0	0	0	111.9	A370 K371 L376 K477 E478 G479	D368-A370 PolarHBondContact O-N 2.87Å; D368-K371 WeakPolarHBondContact O-CB 3.11Å; D368-K371 PolarHBondContact O-N 3.36Å; D368-K371 VanDerWaalsContact O-N 3.11Å; D368-K371 IonicContact OD1-NZ 2.88Å; D368-K371 PolarHBondContact OD1-NZ 3.05Å; D368-L376 HydrophobicContact CB-CD2 3.93Å; D368-L376 WeakPolarHBondContact O-CD2 3.32Å; D368-K477 IonicContact OD1-NZ 2.75Å; D368-K477 WeakPolarHBondContact OD2-CD 3.49Å; D368-K477 WeakPolarHBondContact OD2-CE 3.49Å; D368-K477 WeakPolarHBondContact OD2-CG 3.05Å; D368-K477 IonicContact OD2-NZ 3.43Å; D368-K477 PolarHBondContact OD2-NZ 3.44Å; D368-E478 CarbonylContact C-O 3.23Å; D368-G479 WeakPolarHBondContact O-CA 3.37Å
369	S	92.4	Very high	94.2	Very high	34 Å²	34	36.2 Å²	36.2	24%	0.238	18%	0.178	C	C	.	.	G	3₁₀ helix	trans	-59.8	-26.6	174.3	55.8	0	0	0	0	114.7	E325 P367 E478 G479 M480	E325-S369 VanDerWaalsContact OE1-CB 3.26Å; E325-S369 WeakPolarHBondContact OE1-CB 3.23Å; E325-S369 PolarHBondContact OE1-OG 3.37Å; P367-S369 WeakPolarHBondContact CB-OG 3.43Å; P367-S369 PolarHBondContact O-N 2.64Å; S369-E478 WeakPolarHBondContact CA-O 3.43Å; S369-E478 PolarHBondContact N-O 2.85Å; S369-G479 CarbonylContact O-C 3.57Å; S369-M480 PolarHBondContact O-N 2.84Å; S369-M480 VanDerWaalsContact O-N 3.16Å
370	A	92.3	Very high	94	Very high	1 Å²	1	39.3 Å²	39.3	1%	0.008	20%	0.199	C	C	.	.	G	3₁₀ helix	trans	-96.6	-1.8	178.5	0	0	0	0	0	114	I290 V296 I366 P367 D368	I290-A370 HydrophobicContact CD1-CB 4.41Å; V296-A370 HydrophobicContact CG1-CB 3.72Å; I366-A370 HydrophobicContact CG2-CB 4.04Å; P367-A370 HydrophobicContact CG-CB 3.8Å; P367-A370 PolarHBondContact O-N 3.42Å; P367-A370 VanDerWaalsContact O-N 3.14Å; D368-A370 PolarHBondContact O-N 2.87Å
371	K	90.9	Very high	93.9	Very high	42 Å²	42	39.6 Å²	39.6	18%	0.183	20%	0.201	C	C	.	.	S	Bend	trans	-87	153	178	-75.5	170.5	-156.1	153.1	0	111.8	I366 D368 E375 L376 G479 M480	I366-K371 HydrophobicContact CG2-CG 3.76Å; I366-K371 WeakPolarHBondContact O-CE 3.18Å; I366-K371 PolarHBondContact O-NZ 3.44Å; D368-K371 WeakPolarHBondContact O-CB 3.11Å; D368-K371 PolarHBondContact O-N 3.36Å; D368-K371 VanDerWaalsContact O-N 3.11Å; D368-K371 IonicContact OD1-NZ 2.88Å; D368-K371 PolarHBondContact OD1-NZ 3.05Å; K371-E375 WeakPolarHBondContact CA-OE2 3.29Å; K371-E375 HydrophobicContact CB-CB 3.99Å; K371-E375 WeakPolarHBondContact CB-OE2 3.16Å; K371-E375 HydrophobicContact CD-CB 4.34Å; K371-E375 HydrophobicContact CG-CB 4.2Å; K371-L376 HydrophobicContact CB-CD2 3.97Å; K371-G479 CarbonylContact O-C 3.54Å; K371-G479 WeakPolarHBondContact O-CA 3.5Å; K371-M480 PolarHBondContact O-N 3.3Å
372	E	88.8	Confident	93.8	Very high	24 Å²	24	41.6 Å²	41.6	11%	0.112	21%	0.214	C	C	.	.			trans	-72	155.2	163.8	-75.1	-163.6	-137.2	0	0	111.4	R374 E375 L376 M480 N481	E372-R374 HydrophobicContact CB-CG 3.8Å; E372-R374 PolarHBondContact O-N 2.88Å; E372-R374 IonicContact OE1-CZ 3.5Å; E372-R374 IonicContact OE1-NE 3.95Å; E372-R374 IonicContact OE1-NH2 3Å; E372-R374 PolarHBondContact OE1-NH2 3.28Å; E372-R374 IonicContact OE2-CZ 3.43Å; E372-R374 VanDerWaalsContact OE2-CZ 3.22Å; E372-R374 IonicContact OE2-NE 3.72Å; E372-R374 PolarHBondContact OE2-NE 3.18Å; E372-R374 IonicContact OE2-NH2 3.62Å; E372-R374 PolarHBondContact OE2-NH2 3.23Å; E372-E375 PolarHBondContact N-OE2 2.97Å; E372-E375 WeakPolarHBondContact O-CB 3.5Å; E372-E375 PolarHBondContact O-N 3.37Å; E372-L376 PolarHBondContact O-N 2.68Å; E372-M480 HydrophobicContact CG-CE 4.37Å; E372-N481 VanDerWaalsContact CA-OD1 3.32Å; E372-N481 WeakPolarHBondContact CA-OD1 3.27Å
373	V	91.7	Very high	93.7	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	22%	0.216	C	C	.	.	G	3₁₀ helix	trans	-55	-31.7	-177.7	73.3	0	0	0	0	113.1	L376 L397 L405 N481 A483	V373-L376 HydrophobicContact CG2-CD1 4.34Å; V373-L376 WeakPolarHBondContact O-CB 3.41Å; V373-L376 PolarHBondContact O-N 3.18Å; V373-L397 HydrophobicContact CG1-CD1 4.45Å; V373-L405 HydrophobicContact CG2-CD1 4.04Å; V373-L405 HydrophobicContact CG2-CG 3.91Å; V373-N481 PolarHBondContact N-OD1 2.86Å; V373-A483 WeakPolarHBondContact CG2-O 2.97Å
374	R	89.6	Confident	93.6	Very high	108 Å²	108	38.5 Å²	38.5	41%	0.408	20%	0.201	S	C	.	.	G	3₁₀ helix	trans	-65.9	-31.9	174.5	42.4	177	169	168.8	2.4	113.9	E372 V377 M394	E372-R374 HydrophobicContact CB-CG 3.8Å; E372-R374 PolarHBondContact O-N 2.88Å; E372-R374 IonicContact OE1-CZ 3.5Å; E372-R374 IonicContact OE1-NE 3.95Å; E372-R374 IonicContact OE1-NH2 3Å; E372-R374 PolarHBondContact OE1-NH2 3.28Å; E372-R374 IonicContact OE2-CZ 3.43Å; E372-R374 VanDerWaalsContact OE2-CZ 3.22Å; E372-R374 IonicContact OE2-NE 3.72Å; E372-R374 PolarHBondContact OE2-NE 3.18Å; E372-R374 IonicContact OE2-NH2 3.62Å; E372-R374 PolarHBondContact OE2-NH2 3.23Å; R374-V377 WeakPolarHBondContact O-CG2 3.48Å; R374-M394 HydrophobicContact CB-CE 3.41Å; R374-M394 VanDerWaalsContact CB-CE 3.41Å
375	E	90.3	Very high	93.4	Very high	82 Å²	82	38.2 Å²	38.2	38%	0.383	20%	0.202	S	C	.	.	G	3₁₀ helix	trans	-87	-10.4	-179	-59.7	169.1	148.9	0	0	112.4	K371 E372 V377	K371-E375 WeakPolarHBondContact CA-OE2 3.29Å; K371-E375 HydrophobicContact CB-CB 3.99Å; K371-E375 WeakPolarHBondContact CB-OE2 3.16Å; K371-E375 HydrophobicContact CD-CB 4.34Å; K371-E375 HydrophobicContact CG-CB 4.2Å; E372-E375 PolarHBondContact N-OE2 2.97Å; E372-E375 WeakPolarHBondContact O-CB 3.5Å; E372-E375 PolarHBondContact O-N 3.37Å; E375-V377 PolarHBondContact O-N 3.02Å
376	L	94.1	Very high	93.2	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	22%	0.223	C	C	.	.	G	3₁₀ helix	trans	-68.7	-24.5	174.1	-59.7	-178.4	0	0	0	112.3	D368 K371 E372 V373 G378 K477 L484	D368-L376 HydrophobicContact CB-CD2 3.93Å; D368-L376 WeakPolarHBondContact O-CD2 3.32Å; K371-L376 HydrophobicContact CB-CD2 3.97Å; E372-L376 PolarHBondContact O-N 2.68Å; V373-L376 HydrophobicContact CG2-CD1 4.34Å; V373-L376 WeakPolarHBondContact O-CB 3.41Å; V373-L376 PolarHBondContact O-N 3.18Å; L376-G378 PolarHBondContact O-N 3.38Å; L376-K477 HydrophobicContact CB-CB 4.4Å; L376-K477 HydrophobicContact CB-CD 3.91Å; L376-K477 HydrophobicContact CD1-CB 4.15Å; L376-K477 HydrophobicContact CD2-CB 4.23Å; L376-K477 HydrophobicContact CD2-CD 4.31Å; L376-K477 WeakPolarHBondContact O-CD 3.35Å; L376-K477 VanDerWaalsContact O-CE 3.32Å; L376-K477 WeakPolarHBondContact O-CE 2.97Å; L376-K477 PolarHBondContact O-NZ 2.03Å; L376-L484 HydrophobicContact CB-CB 3.92Å; L376-L484 HydrophobicContact CB-CD1 4.04Å; L376-L484 HydrophobicContact CD1-CB 4.04Å
377	V	94.2	Very high	93.1	Very high	35 Å²	35	41 Å²	41	21%	0.212	22%	0.218	C	C	.	.			trans	-57.6	118.3	-175.4	-178.4	0	0	0	0	110.7	R374 E375 Q381 L405 L484	R374-V377 WeakPolarHBondContact O-CG2 3.48Å; E375-V377 PolarHBondContact O-N 3.02Å; V377-Q381 HydrophobicContact CG1-CB 3.93Å; V377-Q381 WeakPolarHBondContact CG1-O 3.42Å; V377-L405 HydrophobicContact CG2-CD1 4.17Å; V377-L484 HydrophobicContact CB-CD1 4.31Å; V377-L484 HydrophobicContact CG2-CD1 3.8Å
378	G	92.1	Very high	92.9	Very high	21 Å²	21	41.1 Å²	41.1	22%	0.216	22%	0.218	C	C	.	.			trans	-90.6	169.9	-175.9	0	0	0	0	0	113.7	L376 S380 Q381 S382	L376-G378 PolarHBondContact O-N 3.38Å; G378-S380 PolarHBondContact O-N 3.11Å; G378-Q381 CarbonylContact O-C 3.56Å; G378-Q381 WeakPolarHBondContact O-CA 3.03Å; G378-Q381 PolarHBondContact O-N 3.32Å; G378-S382 PolarHBondContact O-N 2.79Å; G378-S382 VanDerWaalsContact O-N 3.1Å
379	K	93	Very high	92.7	Very high	198 Å²	198	42.4 Å²	42.4	86%	0.861	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.1	-20.9	176.2	-66	-176.1	177.9	-179	0	114.4	N410	K379-N410 PolarHBondContact O-ND2 2.75Å
380	S	94.5	Very high	92.6	Very high	65 Å²	65	48.2 Å²	48.2	46%	0.455	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.4	1.1	176.1	41.4	0	0	0	0	114	G378 L409 N410	G378-S380 PolarHBondContact O-N 3.11Å; S380-L409 WeakPolarHBondContact O-CA 3.49Å; S380-N410 PolarHBondContact O-N 2.69Å; S380-N410 PolarHBondContact O-OD1 2.83Å
381	Q	96.1	Very high	92.5	Very high	9 Å²	9	50.1 Å²	50.1	4%	0.042	26%	0.264	C	S	.	.	S	Bend	trans	-127.1	14	172.3	-57	72.9	49.3	0	0	111.1	V377 G378 T383 F384 G385 A407 N410 V486	V377-Q381 HydrophobicContact CG1-CB 3.93Å; V377-Q381 WeakPolarHBondContact CG1-O 3.42Å; G378-Q381 CarbonylContact O-C 3.56Å; G378-Q381 WeakPolarHBondContact O-CA 3.03Å; G378-Q381 PolarHBondContact O-N 3.32Å; Q381-T383 VanDerWaalsContact C-N 3.33Å; Q381-T383 PolarHBondContact O-N 3.09Å; Q381-F384 WeakPolarHBondContact O-CB 3.36Å; Q381-F384 PolarHBondContact O-N 2.77Å; Q381-F384 VanDerWaalsContact O-N 3.09Å; Q381-G385 PolarHBondContact O-N 2.91Å; Q381-G385 VanDerWaalsContact O-N 3.12Å; Q381-A407 HydrophobicContact CB-CB 3.99Å; Q381-A407 HydrophobicContact CG-CB 3.76Å; Q381-N410 WeakPolarHBondContact CA-OD1 3.4Å; Q381-N410 PolarHBondContact N-OD1 3.33Å; Q381-V486 HydrophobicContact CG-CG1 4.19Å; Q381-V486 HydrophobicContact CG-CG2 4.32Å; Q381-V486 VanDerWaalsContact NE2-CG1 3.29Å
382	S	95.3	Very high	92.3	Very high	41 Å²	41	49.9 Å²	49.9	29%	0.287	27%	0.272	S	S	.	.	H	α-helix	trans	-57.2	-46.2	-174.7	61	0	0	0	0	111.4	G378 F384 G385 D386 N410	G378-S382 PolarHBondContact O-N 2.79Å; G378-S382 VanDerWaalsContact O-N 3.1Å; S382-F384 PolarHBondContact O-N 2.87Å; S382-F384 VanDerWaalsContact O-N 3.14Å; S382-G385 CarbonylContact O-C 3.44Å; S382-G385 WeakPolarHBondContact O-CA 3.19Å; S382-G385 PolarHBondContact O-N 2.89Å; S382-D386 VanDerWaalsContact C-OD2 3.24Å; S382-D386 PolarHBondContact O-N 2.87Å; S382-N410 PolarHBondContact N-OD1 2.74Å; S382-N410 PolarHBondContact OG-ND2 2.9Å
383	T	95.5	Very high	92.1	Very high	36 Å²	36	49.2 Å²	49.2	22%	0.221	27%	0.27	C	S	.	.	H	α-helix	trans	-57.2	-34	178.9	-50.1	0	0	0	0	112.3	Q381 L387 N410 F413	Q381-T383 VanDerWaalsContact C-N 3.33Å; Q381-T383 PolarHBondContact O-N 3.09Å; T383-L387 HydrophobicContact CG2-CD1 4.06Å; T383-L387 WeakPolarHBondContact O-CB 3.14Å; T383-L387 WeakPolarHBondContact O-CD1 3.27Å; T383-L387 WeakPolarHBondContact O-CG 3.41Å; T383-L387 PolarHBondContact O-N 2.9Å; T383-N410 PolarHBondContact N-OD1 3.43Å; T383-N410 VanDerWaalsContact OG1-CG 3.3Å; T383-F413 HydrophobicContact CG2-CB 3.8Å; T383-F413 HydrophobicContact CG2-CD2 3.81Å; T383-F413 HydrophobicContact CG2-CG 3.8Å
384	F	95.3	Very high	91.4	Very high	1 Å²	1	51.4 Å²	51.4	0%	0.004	28%	0.281	C	S	.	.	H	α-helix	trans	-69.6	-45.7	172.5	171.3	-102.8	0	0	0	111.8	Q381 S382 L387 V388 L405 A407 P408 F413 L428 H431	Q381-F384 WeakPolarHBondContact O-CB 3.36Å; Q381-F384 PolarHBondContact O-N 2.77Å; Q381-F384 VanDerWaalsContact O-N 3.09Å; S382-F384 PolarHBondContact O-N 2.87Å; S382-F384 VanDerWaalsContact O-N 3.14Å; F384-L387 PolarHBondContact O-N 3.02Å; F384-V388 HydrophobicContact CD2-CG2 4Å; F384-V388 HydrophobicContact CE1-CG2 4.2Å; F384-V388 HydrophobicContact CE2-CG2 3.65Å; F384-V388 HydrophobicContact CG-CG2 4.42Å; F384-V388 HydrophobicContact CZ-CG2 3.78Å; F384-V388 WeakPolarHBondContact O-CB 3.29Å; F384-V388 WeakPolarHBondContact O-CG2 3.43Å; F384-V388 PolarHBondContact O-N 2.88Å; F384-L405 HydrophobicContact CE1-CB 4.36Å; F384-A407 HydrophobicContact CD1-CB 3.51Å; F384-A407 HydrophobicContact CE1-CB 3.68Å; F384-A407 HydrophobicContact CG-CB 4.31Å; F384-P408 VanDerWaalsContact CD2-CD 3.46Å; F384-P408 HydrophobicContact CD2-CG 4.43Å; F384-F413 HydrophobicContact CB-CE2 4.01Å; F384-F413 HydrophobicContact CB-CZ 3.9Å; F384-F413 HydrophobicContact CD2-CZ 4.18Å; F384-L428 HydrophobicContact CD2-CD2 3.63Å; F384-L428 HydrophobicContact CE2-CD2 3.75Å; F384-H431 HydrophobicContact CE2-CB 3.69Å; F384-H431 HydrophobicContact CZ-CB 3.93Å
385	G	93.3	Very high	90.7	Very high	13 Å²	13	51.7 Å²	51.7	13%	0.134	30%	0.299	C	S	.	.	H	α-helix	trans	-61.4	-42.7	176.9	0	0	0	0	0	113.2	Q381 S382 S389	Q381-G385 PolarHBondContact O-N 2.91Å; Q381-G385 VanDerWaalsContact O-N 3.12Å; S382-G385 CarbonylContact O-C 3.44Å; S382-G385 WeakPolarHBondContact O-CA 3.19Å; S382-G385 PolarHBondContact O-N 2.89Å; G385-S389 WeakPolarHBondContact O-CB 3.4Å; G385-S389 PolarHBondContact O-N 3.1Å
386	D	93.1	Very high	89.9	Confident	88 Å²	88	50.1 Å²	50.1	47%	0.471	30%	0.297	S	S	.	.	H	α-helix	trans	-59.8	-52.9	177.8	-59.1	-35	0	0	0	109.9	S382 V388 S389 E390	S382-D386 VanDerWaalsContact C-OD2 3.24Å; S382-D386 PolarHBondContact O-N 2.87Å; D386-V388 PolarHBondContact O-N 3.35Å; D386-S389 WeakPolarHBondContact O-CA 3.33Å; D386-S389 VanDerWaalsContact O-CB 3.27Å; D386-S389 WeakPolarHBondContact O-CB 3.45Å; D386-S389 PolarHBondContact O-N 2.65Å; D386-S389 VanDerWaalsContact O-N 3.1Å; D386-E390 WeakPolarHBondContact O-CG 3.41Å; D386-E390 PolarHBondContact O-N 3.4Å
387	L	93.3	Very high	89.2	Confident	20 Å²	20	50.5 Å²	50.5	11%	0.105	30%	0.299	C	S	.	.	H	α-helix	trans	-65.9	-37.6	-179.4	-66.7	168.9	0	0	0	113.7	T383 F384 S389 E390 M391 F413 L424 L428	T383-L387 HydrophobicContact CG2-CD1 4.06Å; T383-L387 WeakPolarHBondContact O-CB 3.14Å; T383-L387 WeakPolarHBondContact O-CD1 3.27Å; T383-L387 WeakPolarHBondContact O-CG 3.41Å; T383-L387 PolarHBondContact O-N 2.9Å; F384-L387 PolarHBondContact O-N 3.02Å; L387-S389 PolarHBondContact O-N 2.53Å; L387-E390 PolarHBondContact O-N 3.27Å; L387-M391 WeakPolarHBondContact O-CB 3.35Å; L387-M391 WeakPolarHBondContact O-CG 3.07Å; L387-M391 PolarHBondContact O-N 3.13Å; L387-F413 HydrophobicContact CD1-CD1 3.71Å; L387-F413 HydrophobicContact CD1-CE1 3.93Å; L387-F413 HydrophobicContact CD1-CG 4.36Å; L387-L424 HydrophobicContact CD1-CD1 4.46Å; L387-L424 HydrophobicContact CD1-CD2 4.23Å; L387-L424 HydrophobicContact CD2-CD2 4.2Å; L387-L428 HydrophobicContact CB-CD1 3.89Å
388	V	91.6	Very high	88.3	Confident	1 Å²	1	50.7 Å²	50.7	1%	0.006	30%	0.302	C	S	.	.	H	α-helix	trans	-66	-30.4	174.6	177.3	0	0	0	0	110.7	F384 D386 L393 M394 L428 M432	F384-V388 HydrophobicContact CD2-CG2 4Å; F384-V388 HydrophobicContact CE1-CG2 4.2Å; F384-V388 HydrophobicContact CE2-CG2 3.65Å; F384-V388 HydrophobicContact CG-CG2 4.42Å; F384-V388 HydrophobicContact CZ-CG2 3.78Å; F384-V388 WeakPolarHBondContact O-CB 3.29Å; F384-V388 WeakPolarHBondContact O-CG2 3.43Å; F384-V388 PolarHBondContact O-N 2.88Å; D386-V388 PolarHBondContact O-N 3.35Å; V388-L393 HydrophobicContact CG1-CB 3.74Å; V388-L393 WeakPolarHBondContact O-CB 3.44Å; V388-L393 PolarHBondContact O-N 3.06Å; V388-M394 HydrophobicContact CB-SD 4.24Å; V388-M394 HydrophobicContact CG1-CG 3.93Å; V388-M394 HydrophobicContact CG1-SD 3.54Å; V388-M394 VanDerWaalsContact CG1-SD 3.54Å; V388-M394 PolarHBondContact O-N 3.09Å; V388-M394 VanDerWaalsContact O-N 3.15Å; V388-L428 HydrophobicContact CG2-CB 4.27Å; V388-L428 HydrophobicContact CG2-CD1 4.12Å; V388-L428 HydrophobicContact CG2-CD2 3.92Å; V388-L428 HydrophobicContact CG2-CG 4.32Å; V388-M432 HydrophobicContact CG1-CE 3.97Å; V388-M432 HydrophobicContact CG1-SD 4.15Å
389	S	90.3	Very high	87.5	Confident	72 Å²	72	53.2 Å²	53.2	50%	0.503	32%	0.316	S	S	.	.	H	α-helix	trans	-72.1	-51.7	173.4	-164.2	0	0	0	0	112.1	G385 D386 L387 M391 G392	G385-S389 WeakPolarHBondContact O-CB 3.4Å; G385-S389 PolarHBondContact O-N 3.1Å; D386-S389 WeakPolarHBondContact O-CA 3.33Å; D386-S389 VanDerWaalsContact O-CB 3.27Å; D386-S389 WeakPolarHBondContact O-CB 3.45Å; D386-S389 PolarHBondContact O-N 2.65Å; D386-S389 VanDerWaalsContact O-N 3.1Å; L387-S389 PolarHBondContact O-N 2.53Å; S389-M391 PolarHBondContact O-N 2.86Å; S389-G392 WeakPolarHBondContact O-CA 3.31Å; S389-G392 PolarHBondContact O-N 3.44Å
390	E	90.2	Very high	86.7	Confident	155 Å²	155	50.2 Å²	50.2	72%	0.724	31%	0.31	S	S	*	.	H	α-helix	trans	-61.7	-39.1	-178.8	-71.4	178.8	161.9	0	0	112.6	D386 L387 G392	D386-E390 WeakPolarHBondContact O-CG 3.41Å; D386-E390 PolarHBondContact O-N 3.4Å; L387-E390 PolarHBondContact O-N 3.27Å; E390-G392 PolarHBondContact O-N 2.92Å
391	M	88.6	Confident	86.1	Confident	42 Å²	42	49.9 Å²	49.9	21%	0.207	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.3	4.7	174.6	-66.4	-161.1	168.5	0	0	114.2	L387 S389 L393 D421 L424 R425 L428	L387-M391 WeakPolarHBondContact O-CB 3.35Å; L387-M391 WeakPolarHBondContact O-CG 3.07Å; L387-M391 PolarHBondContact O-N 3.13Å; S389-M391 PolarHBondContact O-N 2.86Å; M391-L393 HydrophobicContact CB-CD1 4.28Å; M391-L393 HydrophobicContact CB-CG 4.1Å; M391-L393 PolarHBondContact O-N 3.43Å; M391-L393 VanDerWaalsContact O-N 3.12Å; M391-D421 HydrophobicContact CE-CB 4.41Å; M391-L424 HydrophobicContact CE-CB 3.94Å; M391-L424 HydrophobicContact CE-CD2 3.75Å; M391-L424 HydrophobicContact CE-CG 3.73Å; M391-L424 HydrophobicContact SD-CG 4.44Å; M391-R425 HydrophobicContact SD-CB 3.8Å; M391-R425 HydrophobicContact SD-CG 4.3Å; M391-L428 HydrophobicContact CG-CD1 4.35Å; M391-L428 HydrophobicContact SD-CD1 3.75Å
392	G	87.3	Confident	85.9	Confident	36 Å²	36	54.6 Å²	54.6	37%	0.371	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.3	6.5	-179.7	0	0	0	0	0	114.5	S389 E390 M394 S395	S389-G392 WeakPolarHBondContact O-CA 3.31Å; S389-G392 PolarHBondContact O-N 3.44Å; E390-G392 PolarHBondContact O-N 2.92Å; G392-M394 PolarHBondContact O-N 2.92Å; G392-S395 PolarHBondContact O-N 3.49Å; G392-S395 PolarHBondContact O-OG 3.35Å
393	L	85.6	Confident	85.8	Confident	10 Å²	10	53.6 Å²	53.6	5%	0.052	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-65.4	-24.8	-178.8	-64.8	175.7	0	0	0	111.8	V388 M391 S395 S396 L428 Q429 M432	V388-L393 HydrophobicContact CG1-CB 3.74Å; V388-L393 WeakPolarHBondContact O-CB 3.44Å; V388-L393 PolarHBondContact O-N 3.06Å; M391-L393 HydrophobicContact CB-CD1 4.28Å; M391-L393 HydrophobicContact CB-CG 4.1Å; M391-L393 PolarHBondContact O-N 3.43Å; M391-L393 VanDerWaalsContact O-N 3.12Å; L393-S395 PolarHBondContact O-N 3.22Å; L393-S396 WeakPolarHBondContact O-CB 3.44Å; L393-S396 PolarHBondContact O-N 2.93Å; L393-S396 PolarHBondContact O-OG 3.03Å; L393-L428 HydrophobicContact CD1-CB 3.54Å; L393-L428 HydrophobicContact CD1-CD1 4.1Å; L393-L428 HydrophobicContact CD1-CG 4.49Å; L393-Q429 HydrophobicContact CD1-CG 4.3Å; L393-Q429 HydrophobicContact CD2-CG 3.98Å; L393-M432 HydrophobicContact CB-CE 4.23Å; L393-M432 HydrophobicContact CB-SD 4.15Å; L393-M432 HydrophobicContact CD1-SD 4.36Å
394	M	77.4	Confident	85.8	Confident	47 Å²	47	51.9 Å²	51.9	23%	0.232	31%	0.307	C	S	.	.	G	3₁₀ helix	trans	-57.4	-28.1	170.6	-63.8	-63.1	-97.4	0	0	113.4	R374 V388 G392 S396 L397	R374-M394 HydrophobicContact CB-CE 3.41Å; R374-M394 VanDerWaalsContact CB-CE 3.41Å; V388-M394 HydrophobicContact CB-SD 4.24Å; V388-M394 HydrophobicContact CG1-CG 3.93Å; V388-M394 HydrophobicContact CG1-SD 3.54Å; V388-M394 VanDerWaalsContact CG1-SD 3.54Å; V388-M394 PolarHBondContact O-N 3.09Å; V388-M394 VanDerWaalsContact O-N 3.15Å; G392-M394 PolarHBondContact O-N 2.92Å; M394-S396 PolarHBondContact O-N 2.89Å; M394-L397 WeakPolarHBondContact O-CB 3.45Å; M394-L397 PolarHBondContact O-N 3.48Å; M394-L397 VanDerWaalsContact O-N 3.08Å; M394-L397 HydrophobicContact SD-CD1 3.79Å
395	S	74.1	Confident	85.9	Confident	113 Å²	113	52 Å²	52	79%	0.79	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-72.5	-10.6	176	80.5	0	0	0	0	113.3	G392 L393	G392-S395 PolarHBondContact O-N 3.49Å; G392-S395 PolarHBondContact O-OG 3.35Å; L393-S395 PolarHBondContact O-N 3.22Å
396	S	73.8	Confident	86.1	Confident	49 Å²	49	51.3 Å²	51.3	34%	0.343	30%	0.301	S	S	.	.	G	3₁₀ helix	trans	-91	1.4	170.9	74.8	0	0	0	0	113.6	L393 M394 Y403	L393-S396 WeakPolarHBondContact O-CB 3.44Å; L393-S396 PolarHBondContact O-N 2.93Å; L393-S396 PolarHBondContact O-OG 3.03Å; M394-S396 PolarHBondContact O-N 2.89Å; S396-Y403 WeakPolarHBondContact O-CE1 3.39Å; S396-Y403 VanDerWaalsContact O-CZ 3.27Å; S396-Y403 PolarHBondContact O-OH 3.21Å
397	L	78.4	Confident	86.3	Confident	8 Å²	8	47.1 Å²	47.1	4%	0.042	28%	0.278	C	S	.	.			trans	-103.1	88.8	171.3	-60.4	179.6	0	0	0	109.6	V373 M394 Y403 L405 M432	V373-L397 HydrophobicContact CG1-CD1 4.45Å; M394-L397 WeakPolarHBondContact O-CB 3.45Å; M394-L397 PolarHBondContact O-N 3.48Å; M394-L397 VanDerWaalsContact O-N 3.08Å; M394-L397 HydrophobicContact SD-CD1 3.79Å; L397-Y403 WeakPolarHBondContact CA-OH 3.44Å; L397-Y403 HydrophobicContact CB-CE2 4.41Å; L397-Y403 HydrophobicContact CD2-CD1 3.4Å; L397-Y403 HydrophobicContact CD2-CD2 3.98Å; L397-Y403 HydrophobicContact CD2-CE1 3.65Å; L397-Y403 HydrophobicContact CD2-CE2 4.22Å; L397-Y403 HydrophobicContact CD2-CG 3.55Å; L397-L405 HydrophobicContact CD1-CD1 4.49Å; L397-L405 HydrophobicContact CD1-CD2 4.19Å; L397-L405 HydrophobicContact CD2-CD2 4.48Å; L397-M432 HydrophobicContact CD1-CE 3.94Å; L397-M432 HydrophobicContact CD2-CE 3.59Å; L397-M432 HydrophobicContact CG-CE 3.67Å
398	S	76.1	Confident	86.4	Confident	40 Å²	40	46.2 Å²	46.2	28%	0.28	27%	0.273	S	S	.	.			trans	-83.2	152.8	178.7	71.5	0	0	0	0	112.2	D400 T401 Y403 N481	S398-D400 VanDerWaalsContact C-N 3.28Å; S398-D400 WeakPolarHBondContact CB-OD1 2.95Å; S398-D400 PolarHBondContact O-N 2.84Å; S398-D400 PolarHBondContact OG-OD1 2.61Å; S398-T401 PolarHBondContact OG-OG1 3.14Å; S398-Y403 PolarHBondContact N-OH 2.78Å; S398-Y403 WeakPolarHBondContact O-CE2 3.09Å; S398-N481 PolarHBondContact O-ND2 3.44Å; S398-N481 VanDerWaalsContact O-ND2 3.17Å
399	S	74.8	Confident	86.6	Confident	74 Å²	74	48.9 Å²	48.9	52%	0.517	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.6	-22.5	-179.2	48.4	0	0	0	0	113.2
400	D	75.9	Confident	86.9	Confident	135 Å²	135	47.6 Å²	47.6	72%	0.722	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.9	-7.1	-179.2	69.5	-40.7	0	0	0	114.7	S398	S398-D400 VanDerWaalsContact C-N 3.28Å; S398-D400 WeakPolarHBondContact CB-OD1 2.95Å; S398-D400 PolarHBondContact O-N 2.84Å; S398-D400 PolarHBondContact OG-OD1 2.61Å
401	T	83.3	Confident	87.1	Confident	58 Å²	58	44.8 Å²	44.8	36%	0.356	28%	0.278	S	S	.	.	S	Bend	trans	-125.5	165.1	-179.1	68.1	0	0	0	0	112.8	S398 Y403	S398-T401 PolarHBondContact OG-OG1 3.14Å; T401-Y403 WeakPolarHBondContact O-CD2 3.25Å; T401-Y403 WeakPolarHBondContact O-CE2 3.33Å; T401-Y403 WeakPolarHBondContact OG1-CE2 3.41Å; T401-Y403 PolarHBondContact OG1-OH 3.44Å
402	Q	90.4	Very high	87.4	Confident	107 Å²	107	44.2 Å²	44.2	50%	0.5	28%	0.277	S	S	.	.			trans	-110.6	133.3	-165.5	-73.5	-171.1	-3.1	0	0	113.9	K434 L435 K436 N481	Q402-K434 CarbonylContact O-C 3.57Å; Q402-K434 VanDerWaalsContact O-C 3.29Å; Q402-L435 CarbonylContact O-C 3.42Å; Q402-L435 VanDerWaalsContact O-CA 3.25Å; Q402-L435 WeakPolarHBondContact O-CA 3.46Å; Q402-L435 PolarHBondContact O-N 3.47Å; Q402-K436 HydrophobicContact CB-CB 3.96Å; Q402-K436 HydrophobicContact CG-CB 4.39Å; Q402-N481 VanDerWaalsContact CA-O 3.29Å; Q402-N481 WeakPolarHBondContact CA-O 3.5Å
403	Y	93.2	Very high	87.6	Confident	20 Å²	20	43.4 Å²	43.4	8%	0.078	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	164.3	-172.9	-56.7	-91.3	0	0	0	114	S396 L397 S398 T401 L433 L435 L451 N481 G482 A483	S396-Y403 WeakPolarHBondContact O-CE1 3.39Å; S396-Y403 VanDerWaalsContact O-CZ 3.27Å; S396-Y403 PolarHBondContact O-OH 3.21Å; L397-Y403 WeakPolarHBondContact CA-OH 3.44Å; L397-Y403 HydrophobicContact CB-CE2 4.41Å; L397-Y403 HydrophobicContact CD2-CD1 3.4Å; L397-Y403 HydrophobicContact CD2-CD2 3.98Å; L397-Y403 HydrophobicContact CD2-CE1 3.65Å; L397-Y403 HydrophobicContact CD2-CE2 4.22Å; L397-Y403 HydrophobicContact CD2-CG 3.55Å; S398-Y403 PolarHBondContact N-OH 2.78Å; S398-Y403 WeakPolarHBondContact O-CE2 3.09Å; T401-Y403 WeakPolarHBondContact O-CD2 3.25Å; T401-Y403 WeakPolarHBondContact O-CE2 3.33Å; T401-Y403 WeakPolarHBondContact OG1-CE2 3.41Å; T401-Y403 PolarHBondContact OG1-OH 3.44Å; Y403-L433 WeakPolarHBondContact CA-O 2.86Å; Y403-L435 CarbonylContact C-O 3.19Å; Y403-L451 HydrophobicContact CD1-CD2 4.04Å; Y403-L451 HydrophobicContact CE1-CD2 3.94Å; Y403-N481 PolarHBondContact N-O 3.15Å; Y403-N481 VanDerWaalsContact N-O 3.07Å; Y403-G482 CarbonylContact O-C 3.28Å; Y403-G482 WeakPolarHBondContact O-CA 3.3Å; Y403-A483 PolarHBondContact O-N 2.9Å
404	T	96.2	Very high	87.9	Confident	0 Å²	0	46 Å²	46	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	130.8	162.9	-51.8	0	0	0	0	110.3	L406 L433 L435 I437 A483	T404-L406 HydrophobicContact CG2-CD2 4.05Å; T404-L433 HydrophobicContact CG2-CD1 4.35Å; T404-L433 PolarHBondContact N-O 3.41Å; T404-L433 PolarHBondContact O-N 3.2Å; T404-L435 PolarHBondContact N-O 3.14Å; T404-L435 VanDerWaalsContact N-O 3.11Å; T404-L435 PolarHBondContact OG1-O 2.93Å; T404-I437 PolarHBondContact OG1-N 3.18Å; T404-A483 CarbonylContact C-O 3.49Å; T404-A483 VanDerWaalsContact CA-O 3.3Å; T404-A483 WeakPolarHBondContact CA-O 3.25Å; T404-A483 HydrophobicContact CG2-CB 4.15Å
405	L	96.6	Very high	88.4	Confident	3 Å²	3	50.3 Å²	50.3	2%	0.016	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	116.8	174.3	-63.5	-180	0	0	0	110.2	V373 V377 F384 L397 A407 M432 A483 L484 H485	V373-L405 HydrophobicContact CG2-CD1 4.04Å; V373-L405 HydrophobicContact CG2-CG 3.91Å; V377-L405 HydrophobicContact CG2-CD1 4.17Å; F384-L405 HydrophobicContact CE1-CB 4.36Å; L397-L405 HydrophobicContact CD1-CD1 4.49Å; L397-L405 HydrophobicContact CD1-CD2 4.19Å; L397-L405 HydrophobicContact CD2-CD2 4.48Å; L405-A407 PolarHBondContact O-N 3.23Å; L405-A407 VanDerWaalsContact O-N 3.12Å; L405-M432 HydrophobicContact CD2-CB 4.46Å; L405-M432 HydrophobicContact CD2-CE 4.48Å; L405-M432 HydrophobicContact CD2-CG 3.88Å; L405-A483 PolarHBondContact N-O 2.04Å; L405-L484 HydrophobicContact CB-CD1 4.48Å; L405-L484 HydrophobicContact CB-CG 4.46Å; L405-L484 CarbonylContact O-C 3.58Å; L405-L484 WeakPolarHBondContact O-CA 3.2Å; L405-H485 PolarHBondContact O-N 2.75Å
406	L	97.4	Very high	88.9	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	30%	0.304	C	S	.	.			trans	-87.3	55.9	175.3	-53	-176.8	0	0	0	109.7	T404 P408 H431 L433 L456 I467 H485 M487 I491	T404-L406 HydrophobicContact CG2-CD2 4.05Å; L406-P408 WeakPolarHBondContact O-CD 3.45Å; L406-H431 HydrophobicContact CB-CB 4.22Å; L406-H431 PolarHBondContact N-O 3.32Å; L406-H431 PolarHBondContact O-CD2 2.63Å; L406-L433 HydrophobicContact CD1-CD1 4.19Å; L406-L433 HydrophobicContact CD1-CD2 4.16Å; L406-L433 HydrophobicContact CD1-CG 4.22Å; L406-L433 HydrophobicContact CD2-CD1 4.19Å; L406-L433 HydrophobicContact CG-CD1 4.33Å; L406-L433 HydrophobicContact CG-CG 4.32Å; L406-L456 HydrophobicContact CD1-CD1 3.8Å; L406-I467 HydrophobicContact CD1-CD1 3.88Å; L406-I467 HydrophobicContact CD1-CG2 4.18Å; L406-I467 HydrophobicContact CD2-CD1 3.74Å; L406-I467 HydrophobicContact CG-CD1 4.47Å; L406-H485 CarbonylContact C-O 3.59Å; L406-H485 VanDerWaalsContact C-O 3.23Å; L406-H485 WeakPolarHBondContact CA-O 3.4Å; L406-H485 HydrophobicContact CD2-CB 3.9Å; L406-M487 HydrophobicContact CB-CG 3.9Å; L406-M487 HydrophobicContact CB-SD 4.33Å; L406-M487 VanDerWaalsContact O-CG 3.23Å; L406-M487 WeakPolarHBondContact O-CG 3.42Å; L406-I491 HydrophobicContact CB-CD1 3.92Å; L406-I491 HydrophobicContact CD1-CD1 3.39Å; L406-I491 HydrophobicContact CG-CD1 4.3Å
407	A	96.8	Very high	89.4	Confident	0 Å²	0	51.9 Å²	51.9	0%	0	30%	0.295	C	S	.	.			trans	-64.3	114.1	-166.9	0	0	0	0	0	113.6	Q381 F384 L405 L484 H485 V486 M487	Q381-A407 HydrophobicContact CB-CB 3.99Å; Q381-A407 HydrophobicContact CG-CB 3.76Å; F384-A407 HydrophobicContact CD1-CB 3.51Å; F384-A407 HydrophobicContact CE1-CB 3.68Å; F384-A407 HydrophobicContact CG-CB 4.31Å; L405-A407 PolarHBondContact O-N 3.23Å; L405-A407 VanDerWaalsContact O-N 3.12Å; A407-L484 HydrophobicContact CB-CD1 3.93Å; A407-L484 HydrophobicContact CB-CD2 4.33Å; A407-L484 HydrophobicContact CB-CG 4.05Å; A407-H485 PolarHBondContact N-O 3.47Å; A407-V486 VanDerWaalsContact O-CA 3.31Å; A407-V486 WeakPolarHBondContact O-CA 3.4Å; A407-M487 PolarHBondContact O-N 3.46Å
408	P	96.8	Very high	89.7	Confident	0 Å²	0	55 Å²	55	0%	0	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-72.5	157.2	179.4	-17.8	33.6	0	0	0	113.4	F384 L406 V412 F413 L490	F384-P408 VanDerWaalsContact CD2-CD 3.46Å; F384-P408 HydrophobicContact CD2-CG 4.43Å; L406-P408 WeakPolarHBondContact O-CD 3.45Å; P408-V412 HydrophobicContact CB-CG2 3.66Å; P408-F413 HydrophobicContact CB-CE2 4.09Å; P408-F413 HydrophobicContact CB-CZ 4.22Å; P408-F413 HydrophobicContact CG-CZ 4.15Å; P408-L490 HydrophobicContact CB-CD2 4.22Å; P408-L490 HydrophobicContact CG-CD2 3.92Å
409	L	96.3	Very high	90.2	Very high	57 Å²	57	57.1 Å²	57.1	30%	0.298	33%	0.33	S	S	.	.			trans	-66.7	137.2	171.7	-68.7	169.5	0	0	0	111.7	S380 A411 V412 V473 V486 M487	S380-L409 WeakPolarHBondContact O-CA 3.49Å; L409-A411 PolarHBondContact O-N 2.75Å; L409-V412 WeakPolarHBondContact O-CG1 3.5Å; L409-V412 WeakPolarHBondContact O-CG2 3.24Å; L409-V412 PolarHBondContact O-N 3.27Å; L409-V473 HydrophobicContact CD1-CG2 4.48Å; L409-V486 HydrophobicContact CD2-CG1 3.65Å; L409-V486 HydrophobicContact CG-CG1 3.99Å; L409-M487 PolarHBondContact N-O 2.7Å; L409-M487 VanDerWaalsContact N-O 3.09Å
410	N	95.6	Very high	90.9	Very high	46 Å²	46	57.3 Å²	57.3	25%	0.246	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-46.2	-34.6	-178	-68.3	5.6	0	0	0	114.9	K379 S380 Q381 S382 T383 V412 F413	K379-N410 PolarHBondContact O-ND2 2.75Å; S380-N410 PolarHBondContact O-N 2.69Å; S380-N410 PolarHBondContact O-OD1 2.83Å; Q381-N410 WeakPolarHBondContact CA-OD1 3.4Å; Q381-N410 PolarHBondContact N-OD1 3.33Å; S382-N410 PolarHBondContact N-OD1 2.74Å; S382-N410 PolarHBondContact OG-ND2 2.9Å; T383-N410 PolarHBondContact N-OD1 3.43Å; T383-N410 VanDerWaalsContact OG1-CG 3.3Å; N410-V412 PolarHBondContact O-N 2.75Å; N410-F413 PolarHBondContact O-N 3Å
411	A	94.6	Very high	91.4	Very high	96 Å²	96	56.7 Å²	56.7	79%	0.793	32%	0.322	S	S	*	.	G	3₁₀ helix	trans	-66.8	-3.7	-176.8	0	0	0	0	0	115.4	L409	L409-A411 PolarHBondContact O-N 2.75Å
412	V	93.8	Very high	91.5	Very high	30 Å²	30	61 Å²	61	18%	0.182	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-93.8	-12.4	178.3	-45.5	0	0	0	0	113.3	P408 L409 N410 T414 T488 L490	P408-V412 HydrophobicContact CB-CG2 3.66Å; L409-V412 WeakPolarHBondContact O-CG1 3.5Å; L409-V412 WeakPolarHBondContact O-CG2 3.24Å; L409-V412 PolarHBondContact O-N 3.27Å; N410-V412 PolarHBondContact O-N 2.75Å; V412-T414 PolarHBondContact O-N 3.2Å; V412-T488 WeakPolarHBondContact CG1-O 3.07Å; V412-L490 HydrophobicContact CB-CG 4.41Å; V412-L490 HydrophobicContact CG2-CD2 3.6Å; V412-L490 HydrophobicContact CG2-CG 3.79Å
413	F	92.9	Very high	91.3	Very high	18 Å²	18	60.3 Å²	60.3	8%	0.079	33%	0.332	C	S	.	.			trans	-90.5	87.8	178.2	-61.4	-84.1	0	0	0	109	T383 F384 L387 P408 N410 V417 M418 L424 L428 L490	T383-F413 HydrophobicContact CG2-CB 3.8Å; T383-F413 HydrophobicContact CG2-CD2 3.81Å; T383-F413 HydrophobicContact CG2-CG 3.8Å; F384-F413 HydrophobicContact CB-CE2 4.01Å; F384-F413 HydrophobicContact CB-CZ 3.9Å; F384-F413 HydrophobicContact CD2-CZ 4.18Å; L387-F413 HydrophobicContact CD1-CD1 3.71Å; L387-F413 HydrophobicContact CD1-CE1 3.93Å; L387-F413 HydrophobicContact CD1-CG 4.36Å; P408-F413 HydrophobicContact CB-CE2 4.09Å; P408-F413 HydrophobicContact CB-CZ 4.22Å; P408-F413 HydrophobicContact CG-CZ 4.15Å; N410-F413 PolarHBondContact O-N 3Å; F413-V417 HydrophobicContact CD1-CG1 4.48Å; F413-M418 HydrophobicContact CB-CG 4.46Å; F413-M418 HydrophobicContact CB-SD 4.19Å; F413-L424 HydrophobicContact CE1-CD1 4.45Å; F413-L428 HydrophobicContact CE1-CD2 4.45Å; F413-L490 HydrophobicContact CE1-CD2 3.94Å; F413-L490 HydrophobicContact CZ-CD2 4.02Å
414	T	90.9	Very high	91.1	Very high	66 Å²	66	59.5 Å²	59.5	41%	0.405	33%	0.329	S	S	.	.			trans	-87.3	161.9	174.5	59.4	0	0	0	0	111.1	V412 E416 V417 M418	V412-T414 PolarHBondContact O-N 3.2Å; T414-E416 PolarHBondContact O-N 2.99Å; T414-E416 VanDerWaalsContact O-N 3.14Å; T414-V417 WeakPolarHBondContact O-CA 3.34Å; T414-V417 WeakPolarHBondContact O-CB 3.41Å; T414-V417 PolarHBondContact O-N 2.84Å; T414-M418 WeakPolarHBondContact O-CG 3.43Å; T414-M418 PolarHBondContact O-N 3.22Å
415	D	88.3	Confident	90.8	Very high	137 Å²	137	65.9 Å²	65.9	73%	0.733	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	-34.3	177.2	-53.6	-24.7	0	0	0	112.3	M418 A419	D415-M418 PolarHBondContact O-N 3.14Å; D415-A419 WeakPolarHBondContact O-CB 3.42Å; D415-A419 PolarHBondContact O-N 2.88Å
416	E	84.8	Confident	90.4	Very high	171 Å²	171	69.2 Å²	69.2	80%	0.799	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.4	-36.6	175.1	-61.6	178	162.5	0	0	113.1	T414	T414-E416 PolarHBondContact O-N 2.99Å; T414-E416 VanDerWaalsContact O-N 3.14Å
417	V	83.4	Confident	90	Very high	23 Å²	23	69.6 Å²	69.6	14%	0.139	37%	0.371	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-32.6	176	170.8	0	0	0	0	111.1	F413 T414 A419 L424 L490	F413-V417 HydrophobicContact CD1-CG1 4.48Å; T414-V417 WeakPolarHBondContact O-CA 3.34Å; T414-V417 WeakPolarHBondContact O-CB 3.41Å; T414-V417 PolarHBondContact O-N 2.84Å; V417-A419 VanDerWaalsContact C-N 3.32Å; V417-L424 HydrophobicContact CG1-CD1 4.35Å; V417-L490 HydrophobicContact CG1-CD1 3.74Å; V417-L490 HydrophobicContact CG2-CD1 4.08Å
418	M	85.9	Confident	89.8	Confident	74 Å²	74	69.6 Å²	69.6	37%	0.365	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-86.7	3	-177.8	-61.9	-175	-65.2	0	0	113.8	F413 T414 D415	F413-M418 HydrophobicContact CB-CG 4.46Å; F413-M418 HydrophobicContact CB-SD 4.19Å; T414-M418 WeakPolarHBondContact O-CG 3.43Å; T414-M418 PolarHBondContact O-N 3.22Å; D415-M418 PolarHBondContact O-N 3.14Å
419	A	87.2	Confident	89.5	Confident	85 Å²	85	72.2 Å²	72.2	70%	0.702	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-8.6	-177.7	0	0	0	0	0	115	D415 V417	D415-A419 WeakPolarHBondContact O-CB 3.42Å; D415-A419 PolarHBondContact O-N 2.88Å; V417-A419 VanDerWaalsContact C-N 3.32Å
420	D	88.1	Confident	89.3	Confident	78 Å²	78	69.7 Å²	69.7	42%	0.417	37%	0.371	S	S	.	.			trans	-131.7	102.4	-176.8	-178	-22.6	0	0	0	110.5	E422 Y423 L424	D420-E422 VanDerWaalsContact C-N 3.32Å; D420-E422 PolarHBondContact O-N 3.31Å; D420-E422 PolarHBondContact OD1-N 3.43Å; D420-Y423 PolarHBondContact O-N 2.9Å; D420-Y423 PolarHBondContact OD1-N 3.44Å; D420-L424 WeakPolarHBondContact O-CB 3.33Å; D420-L424 PolarHBondContact O-N 3.05Å
421	D	86.7	Confident	89.3	Confident	121 Å²	121	67.5 Å²	67.5	65%	0.647	36%	0.359	S	S	*	.	H	α-helix	trans	-62.8	-32.7	-178.9	-72.3	-33.5	0	0	0	113.4	M391 R425	M391-D421 HydrophobicContact CE-CB 4.41Å; D421-R425 WeakPolarHBondContact O-CB 3.1Å; D421-R425 PolarHBondContact O-N 2.87Å
422	E	86.4	Confident	89.3	Confident	150 Å²	150	63 Å²	63	70%	0.701	32%	0.321	S	S	*	.	H	α-helix	trans	-74.7	-46.9	-179	-175.2	172.2	176.5	0	0	110	D420 R425 I426	D420-E422 VanDerWaalsContact C-N 3.32Å; D420-E422 PolarHBondContact O-N 3.31Å; D420-E422 PolarHBondContact OD1-N 3.43Å; E422-R425 PolarHBondContact O-N 3.06Å; E422-I426 HydrophobicContact CG-CD1 4.32Å; E422-I426 WeakPolarHBondContact O-CG1 3.38Å; E422-I426 PolarHBondContact O-N 3.03Å; E422-I426 VanDerWaalsContact O-N 3.12Å
423	Y	86	Confident	89.3	Confident	92 Å²	92	61.7 Å²	61.7	36%	0.361	31%	0.314	S	S	.	.	H	α-helix	trans	-60.6	-46.1	174.3	-179.1	-128.7	0	0	0	111.8	D420 I426 I427	D420-Y423 PolarHBondContact O-N 2.9Å; D420-Y423 PolarHBondContact OD1-N 3.44Å; Y423-I426 PolarHBondContact O-N 2.81Å; Y423-I427 HydrophobicContact CD1-CD1 3.77Å; Y423-I427 HydrophobicContact CD2-CD1 4.17Å; Y423-I427 HydrophobicContact CD2-CG1 4.47Å; Y423-I427 HydrophobicContact CE1-CD1 3.47Å; Y423-I427 VanDerWaalsContact CE1-CD1 3.47Å; Y423-I427 HydrophobicContact CE2-CD1 3.87Å; Y423-I427 HydrophobicContact CE2-CG1 4.19Å; Y423-I427 HydrophobicContact CG-CD1 4.11Å; Y423-I427 WeakPolarHBondContact O-CG1 3.47Å; Y423-I427 PolarHBondContact O-N 2.86Å
424	L	88.9	Confident	89.1	Confident	3 Å²	3	65 Å²	65	2%	0.016	33%	0.328	C	S	.	.	H	α-helix	trans	-65.1	-39.2	178.8	-179.2	56.6	0	0	0	111.8	L387 M391 F413 V417 D420 I426 I427 L428	L387-L424 HydrophobicContact CD1-CD1 4.46Å; L387-L424 HydrophobicContact CD1-CD2 4.23Å; L387-L424 HydrophobicContact CD2-CD2 4.2Å; M391-L424 HydrophobicContact CE-CB 3.94Å; M391-L424 HydrophobicContact CE-CD2 3.75Å; M391-L424 HydrophobicContact CE-CG 3.73Å; M391-L424 HydrophobicContact SD-CG 4.44Å; F413-L424 HydrophobicContact CE1-CD1 4.45Å; V417-L424 HydrophobicContact CG1-CD1 4.35Å; D420-L424 WeakPolarHBondContact O-CB 3.33Å; D420-L424 PolarHBondContact O-N 3.05Å; L424-I426 PolarHBondContact O-N 2.91Å; L424-I427 HydrophobicContact CD1-CG2 4.47Å; L424-I427 WeakPolarHBondContact O-CB 3.37Å; L424-I427 PolarHBondContact O-N 3.15Å; L424-L428 HydrophobicContact CD1-CD1 4.48Å; L424-L428 HydrophobicContact CD1-CD2 4.4Å; L424-L428 HydrophobicContact CD1-CG 4.16Å; L424-L428 HydrophobicContact CG-CD1 4.39Å; L424-L428 HydrophobicContact CG-CG 4.49Å; L424-L428 WeakPolarHBondContact O-CG 3.26Å; L424-L428 PolarHBondContact O-N 2.83Å
425	R	89.4	Confident	89.2	Confident	134 Å²	134	67 Å²	67	51%	0.506	34%	0.336	S	S	.	.	H	α-helix	trans	-61.2	-42	174.5	-172.9	177.6	-171.2	166.3	7	112.5	M391 D421 E422 L428 Q429	M391-R425 HydrophobicContact SD-CB 3.8Å; M391-R425 HydrophobicContact SD-CG 4.3Å; D421-R425 WeakPolarHBondContact O-CB 3.1Å; D421-R425 PolarHBondContact O-N 2.87Å; E422-R425 PolarHBondContact O-N 3.06Å; R425-L428 PolarHBondContact O-N 3.02Å; R425-Q429 WeakPolarHBondContact O-CG 3.24Å; R425-Q429 PolarHBondContact O-N 3.23Å; R425-Q429 VanDerWaalsContact O-N 3.11Å
426	I	87.6	Confident	89.5	Confident	73 Å²	73	62.8 Å²	62.8	37%	0.374	31%	0.311	S	S	.	.	H	α-helix	trans	-65.2	-42.8	176	-66.5	164.9	0	0	0	110.5	E422 Y423 L424 N430	E422-I426 HydrophobicContact CG-CD1 4.32Å; E422-I426 WeakPolarHBondContact O-CG1 3.38Å; E422-I426 PolarHBondContact O-N 3.03Å; E422-I426 VanDerWaalsContact O-N 3.12Å; Y423-I426 PolarHBondContact O-N 2.81Å; L424-I426 PolarHBondContact O-N 2.91Å; I426-N430 PolarHBondContact O-N 2.92Å
427	I	89.8	Confident	90	Very high	7 Å²	7	55.6 Å²	55.6	4%	0.036	28%	0.277	C	S	.	.	H	α-helix	trans	-55.1	-54.9	172.9	-76.3	166.5	0	0	0	110.4	Y423 L424 Q429 N430 H431 L490	Y423-I427 HydrophobicContact CD1-CD1 3.77Å; Y423-I427 HydrophobicContact CD2-CD1 4.17Å; Y423-I427 HydrophobicContact CD2-CG1 4.47Å; Y423-I427 HydrophobicContact CE1-CD1 3.47Å; Y423-I427 VanDerWaalsContact CE1-CD1 3.47Å; Y423-I427 HydrophobicContact CE2-CD1 3.87Å; Y423-I427 HydrophobicContact CE2-CG1 4.19Å; Y423-I427 HydrophobicContact CG-CD1 4.11Å; Y423-I427 WeakPolarHBondContact O-CG1 3.47Å; Y423-I427 PolarHBondContact O-N 2.86Å; L424-I427 HydrophobicContact CD1-CG2 4.47Å; L424-I427 WeakPolarHBondContact O-CB 3.37Å; L424-I427 PolarHBondContact O-N 3.15Å; I427-Q429 PolarHBondContact O-N 2.61Å; I427-N430 WeakPolarHBondContact O-CB 3.44Å; I427-N430 PolarHBondContact O-N 3.12Å; I427-H431 PolarHBondContact O-N 3.5Å; I427-H431 PolarHBondContact O-ND1 3.39Å; I427-L490 HydrophobicContact CD1-CD1 4.34Å; I427-L490 HydrophobicContact CG2-CD1 4.47Å; I427-L490 HydrophobicContact CG2-CD2 3.96Å
428	L	92.4	Very high	90.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-62.3	-42	-174.7	-66.3	178.6	0	0	0	112.1	F384 L387 V388 M391 L393 F413 L424 R425 N430 H431 M432	F384-L428 HydrophobicContact CD2-CD2 3.63Å; F384-L428 HydrophobicContact CE2-CD2 3.75Å; L387-L428 HydrophobicContact CB-CD1 3.89Å; V388-L428 HydrophobicContact CG2-CB 4.27Å; V388-L428 HydrophobicContact CG2-CD1 4.12Å; V388-L428 HydrophobicContact CG2-CD2 3.92Å; V388-L428 HydrophobicContact CG2-CG 4.32Å; M391-L428 HydrophobicContact CG-CD1 4.35Å; M391-L428 HydrophobicContact SD-CD1 3.75Å; L393-L428 HydrophobicContact CD1-CB 3.54Å; L393-L428 HydrophobicContact CD1-CD1 4.1Å; L393-L428 HydrophobicContact CD1-CG 4.49Å; F413-L428 HydrophobicContact CE1-CD2 4.45Å; L424-L428 HydrophobicContact CD1-CD1 4.48Å; L424-L428 HydrophobicContact CD1-CD2 4.4Å; L424-L428 HydrophobicContact CD1-CG 4.16Å; L424-L428 HydrophobicContact CG-CD1 4.39Å; L424-L428 HydrophobicContact CG-CG 4.49Å; L424-L428 WeakPolarHBondContact O-CG 3.26Å; L424-L428 PolarHBondContact O-N 2.83Å; R425-L428 PolarHBondContact O-N 3.02Å; L428-N430 PolarHBondContact O-N 2.97Å; L428-H431 PolarHBondContact O-N 3.15Å; L428-M432 WeakPolarHBondContact O-CG 3.39Å
429	Q	91.3	Very high	91	Very high	55 Å²	55	55.3 Å²	55.3	26%	0.257	28%	0.276	S	S	.	.	H	α-helix	trans	-59.4	-31.5	174.6	-73.8	-179.6	-11.9	0	0	113.3	L393 R425 I427 H431 M432	L393-Q429 HydrophobicContact CD1-CG 4.3Å; L393-Q429 HydrophobicContact CD2-CG 3.98Å; R425-Q429 WeakPolarHBondContact O-CG 3.24Å; R425-Q429 PolarHBondContact O-N 3.23Å; R425-Q429 VanDerWaalsContact O-N 3.11Å; I427-Q429 PolarHBondContact O-N 2.61Å; Q429-H431 VanDerWaalsContact C-N 3.29Å; Q429-H431 PolarHBondContact O-N 2.8Å; Q429-M432 PolarHBondContact O-N 3.2Å
430	N	91.6	Very high	91.3	Very high	5 Å²	5	56.4 Å²	56.4	3%	0.027	28%	0.279	C	S	.	.	H	α-helix	trans	-78.3	-9.5	176.7	-73.2	-9.9	0	0	0	114	I426 I427 L428 T450 S452 Q454 P493	I426-N430 PolarHBondContact O-N 2.92Å; I427-N430 WeakPolarHBondContact O-CB 3.44Å; I427-N430 PolarHBondContact O-N 3.12Å; L428-N430 PolarHBondContact O-N 2.97Å; N430-T450 HydrophobicContact CB-CG2 4.37Å; N430-S452 PolarHBondContact OD1-OG 2.93Å; N430-Q454 PolarHBondContact ND2-OE1 2.99Å; N430-Q454 PolarHBondContact OD1-OE1 3.19Å; N430-P493 WeakPolarHBondContact ND2-CD 3.45Å
431	H	95.2	Very high	91.7	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.283	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97	10	170.9	-63.2	84.3	0	0	0	112.8	F384 L406 I427 L428 Q429 I491	F384-H431 HydrophobicContact CE2-CB 3.69Å; F384-H431 HydrophobicContact CZ-CB 3.93Å; L406-H431 HydrophobicContact CB-CB 4.22Å; L406-H431 PolarHBondContact N-O 3.32Å; L406-H431 PolarHBondContact O-CD2 2.63Å; I427-H431 PolarHBondContact O-N 3.5Å; I427-H431 PolarHBondContact O-ND1 3.39Å; L428-H431 PolarHBondContact O-N 3.15Å; Q429-H431 VanDerWaalsContact C-N 3.29Å; Q429-H431 PolarHBondContact O-N 2.8Å; H431-I491 PolarHBondContact CE1-N 2.6Å; H431-I491 VanDerWaalsContact CE1-N 3.29Å; H431-I491 PolarHBondContact NE2-N 2.83Å
432	M	94.3	Very high	92.2	Very high	1 Å²	1	52.6 Å²	52.6	1%	0.005	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	121.3	-179	-57.8	168.4	81.6	0	0	109.3	V388 L393 L397 L405 L428 Q429 T450 L451	V388-M432 HydrophobicContact CG1-CE 3.97Å; V388-M432 HydrophobicContact CG1-SD 4.15Å; L393-M432 HydrophobicContact CB-CE 4.23Å; L393-M432 HydrophobicContact CB-SD 4.15Å; L393-M432 HydrophobicContact CD1-SD 4.36Å; L397-M432 HydrophobicContact CD1-CE 3.94Å; L397-M432 HydrophobicContact CD2-CE 3.59Å; L397-M432 HydrophobicContact CG-CE 3.67Å; L405-M432 HydrophobicContact CD2-CB 4.46Å; L405-M432 HydrophobicContact CD2-CE 4.48Å; L405-M432 HydrophobicContact CD2-CG 3.88Å; L428-M432 WeakPolarHBondContact O-CG 3.39Å; Q429-M432 PolarHBondContact O-N 3.2Å; M432-T450 CarbonylContact O-C 3.56Å; M432-T450 VanDerWaalsContact O-CA 3.23Å; M432-T450 WeakPolarHBondContact O-CA 3.33Å; M432-L451 HydrophobicContact CB-CB 4.49Å; M432-L451 HydrophobicContact CB-CD1 3.62Å; M432-L451 HydrophobicContact CB-CG 3.7Å; M432-L451 HydrophobicContact CE-CD1 3.7Å; M432-L451 HydrophobicContact CG-CD1 4.42Å; M432-L451 PolarHBondContact O-N 2.73Å; M432-L451 HydrophobicContact SD-CD1 4.08Å
433	L	94.6	Very high	92.6	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	148.1	-178.4	-52.3	-177.8	0	0	0	112.2	Y403 T404 L406 L435 L448 E449 T450 L456	Y403-L433 WeakPolarHBondContact CA-O 2.86Å; T404-L433 HydrophobicContact CG2-CD1 4.35Å; T404-L433 PolarHBondContact N-O 3.41Å; T404-L433 PolarHBondContact O-N 3.2Å; L406-L433 HydrophobicContact CD1-CD1 4.19Å; L406-L433 HydrophobicContact CD1-CD2 4.16Å; L406-L433 HydrophobicContact CD1-CG 4.22Å; L406-L433 HydrophobicContact CD2-CD1 4.19Å; L406-L433 HydrophobicContact CG-CD1 4.33Å; L406-L433 HydrophobicContact CG-CG 4.32Å; L433-L435 PolarHBondContact O-N 3.09Å; L433-L448 HydrophobicContact CD1-CB 4.01Å; L433-L448 HydrophobicContact CD1-CD1 3.84Å; L433-L448 HydrophobicContact CD1-CG 4.35Å; L433-L448 HydrophobicContact CD2-CB 4.19Å; L433-E449 WeakPolarHBondContact CA-O 3.26Å; L433-T450 HydrophobicContact CD2-CG2 4.19Å; L433-L456 HydrophobicContact CD2-CD1 4Å
434	K	89.1	Confident	93.1	Very high	86 Å²	86	51.8 Å²	51.8	37%	0.374	26%	0.257	S	S	.	.	S	Bend	trans	-72.7	2	-177	-71	177.7	175.3	171.5	0	116.1	Q402 E449 T450 L451	Q402-K434 CarbonylContact O-C 3.57Å; Q402-K434 VanDerWaalsContact O-C 3.29Å; K434-E449 HydrophobicContact CD-CG 4.2Å; K434-E449 PolarHBondContact N-O 3.34Å; K434-E449 IonicContact NZ-OE1 2.69Å; K434-E449 PolarHBondContact NZ-OE1 3.07Å; K434-T450 WeakPolarHBondContact CE-O 3.41Å; K434-L451 WeakPolarHBondContact CE-O 2.98Å; K434-L451 HydrophobicContact CG-CD2 3.73Å
435	L	92.1	Very high	93.3	Very high	110 Å²	110	54.1 Å²	54.1	58%	0.576	28%	0.282	S	S	*	.	S	Bend	trans	-144.5	152.9	-174.7	-65.7	173.9	0	0	0	110.2	Q402 Y403 T404 L433 I437	Q402-L435 CarbonylContact O-C 3.42Å; Q402-L435 VanDerWaalsContact O-CA 3.25Å; Q402-L435 WeakPolarHBondContact O-CA 3.46Å; Q402-L435 PolarHBondContact O-N 3.47Å; Y403-L435 CarbonylContact C-O 3.19Å; T404-L435 PolarHBondContact N-O 3.14Å; T404-L435 VanDerWaalsContact N-O 3.11Å; T404-L435 PolarHBondContact OG1-O 2.93Å; L433-L435 PolarHBondContact O-N 3.09Å; L435-I437 HydrophobicContact CB-CD1 4.09Å; L435-I437 HydrophobicContact CB-CG1 4.39Å; L435-I437 PolarHBondContact O-N 3.07Å
436	K	94.6	Very high	93.6	Very high	47 Å²	47	48.8 Å²	48.8	20%	0.204	26%	0.263	C	S	.	.			trans	-73.7	116.6	163.3	179.5	173.9	179.5	173.4	0	109.2	Q402 E478 G479 G482 A483	Q402-K436 HydrophobicContact CB-CB 3.96Å; Q402-K436 HydrophobicContact CG-CB 4.39Å; K436-E478 WeakPolarHBondContact CE-OE2 3.31Å; K436-E478 IonicContact NZ-OE2 3.64Å; K436-E478 PolarHBondContact NZ-OE2 3.02Å; K436-G479 PolarHBondContact NZ-O 2.81Å; K436-G482 WeakPolarHBondContact CE-O 3.49Å; K436-G482 PolarHBondContact NZ-O 2.96Å; K436-A483 HydrophobicContact CG-CB 4.26Å
437	I	96.1	Very high	94	Very high	20 Å²	20	50.2 Å²	50.2	10%	0.103	27%	0.271	C	S	.	.			trans	-120.9	116.6	175.2	-55.8	-60	0	0	0	106.7	T404 L435 M441 L442 L448 A483 H485	T404-I437 PolarHBondContact OG1-N 3.18Å; L435-I437 HydrophobicContact CB-CD1 4.09Å; L435-I437 HydrophobicContact CB-CG1 4.39Å; L435-I437 PolarHBondContact O-N 3.07Å; I437-M441 HydrophobicContact CG2-CB 4.11Å; I437-L442 HydrophobicContact CG2-CD2 3.61Å; I437-L442 HydrophobicContact CG2-CG 4.04Å; I437-L448 HydrophobicContact CG1-CD2 4.28Å; I437-A483 VanDerWaalsContact O-CB 3.23Å; I437-A483 WeakPolarHBondContact O-CB 3.41Å; I437-H485 PolarHBondContact O-CE1 3.04Å; I437-H485 PolarHBondContact O-NE2 2.91Å
438	S	94.9	Very high	94.3	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.014	27%	0.271	C	S	.	.			trans	-81.1	161.9	171.3	66.6	0	0	0	0	111	S440 M441 E478	S438-S440 PolarHBondContact O-N 3.44Å; S438-S440 VanDerWaalsContact O-N 3.13Å; S438-S440 PolarHBondContact OG-OG 3.27Å; S438-M441 WeakPolarHBondContact O-CB 3.38Å; S438-M441 PolarHBondContact O-N 3.23Å; S438-M441 VanDerWaalsContact OG-CG 3.27Å; S438-M441 WeakPolarHBondContact OG-CG 3.31Å; S438-M441 PolarHBondContact OG-N 3.22Å; S438-E478 VanDerWaalsContact CB-CD 3.45Å; S438-E478 WeakPolarHBondContact CB-OE1 3.45Å
439	L	94.1	Very high	94.4	Very high	89 Å²	89	54.6 Å²	54.6	47%	0.466	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	-28	173.8	174.1	58.6	0	0	0	112.4	L442 V465 M472	L439-L442 HydrophobicContact CD1-CD1 4.28Å; L439-V465 HydrophobicContact CD1-CG2 4.41Å; L439-M472 HydrophobicContact CD1-CE 3.76Å; L439-M472 HydrophobicContact CD1-SD 4.26Å
440	S	93.9	Very high	94.5	Very high	108 Å²	108	52 Å²	52	76%	0.755	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.9	-12.5	176.5	52.4	0	0	0	0	114.6	S438	S438-S440 PolarHBondContact O-N 3.44Å; S438-S440 VanDerWaalsContact O-N 3.13Å; S438-S440 PolarHBondContact OG-OG 3.27Å
441	M	96.2	Very high	94.3	Very high	103 Å²	103	53.9 Å²	53.9	51%	0.507	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.2	-12	173.9	-69.7	169.6	-166.9	0	0	113.2	I437 S438	I437-M441 HydrophobicContact CG2-CB 4.11Å; S438-M441 WeakPolarHBondContact O-CB 3.38Å; S438-M441 PolarHBondContact O-N 3.23Å; S438-M441 VanDerWaalsContact OG-CG 3.27Å; S438-M441 WeakPolarHBondContact OG-CG 3.31Å; S438-M441 PolarHBondContact OG-N 3.22Å
442	L	97	Very high	93.8	Very high	16 Å²	16	56 Å²	56	8%	0.084	30%	0.304	C	S	.	.			trans	-73.9	132.5	-178.3	-68.2	173.9	0	0	0	111.7	I437 L439 Q446 L448 V458 I460 V465 M472	I437-L442 HydrophobicContact CG2-CD2 3.61Å; I437-L442 HydrophobicContact CG2-CG 4.04Å; L439-L442 HydrophobicContact CD1-CD1 4.28Å; L442-Q446 VanDerWaalsContact CA-OE1 3.3Å; L442-L448 HydrophobicContact CD2-CD1 4.04Å; L442-L448 HydrophobicContact CD2-CD2 4.41Å; L442-V458 HydrophobicContact CB-CG1 4.43Å; L442-V458 HydrophobicContact CD2-CG1 4.31Å; L442-V458 HydrophobicContact CD2-CG2 4.13Å; L442-I460 HydrophobicContact CB-CD1 4.29Å; L442-I460 VanDerWaalsContact O-CD1 3.3Å; L442-I460 WeakPolarHBondContact O-CD1 3.22Å; L442-V465 HydrophobicContact CD1-CG1 3.93Å; L442-M472 HydrophobicContact CD1-CE 4.33Å; L442-M472 HydrophobicContact CD1-SD 3.65Å
443	F	96.2	Very high	93.6	Very high	122 Å²	122	57.7 Å²	57.7	54%	0.535	32%	0.322	S	S	.	.			trans	-133.9	154.6	173.9	64.3	-89.5	0	0	0	112.9	G445 Q446	F443-G445 PolarHBondContact O-N 3.27Å; F443-Q446 HydrophobicContact CD1-CB 4.02Å; F443-Q446 HydrophobicContact CD1-CG 4.12Å; F443-Q446 HydrophobicContact CD2-CB 3.85Å; F443-Q446 HydrophobicContact CE1-CB 3.86Å; F443-Q446 VanDerWaalsContact CE1-CD 3.47Å; F443-Q446 HydrophobicContact CE1-CG 3.64Å; F443-Q446 HydrophobicContact CE2-CB 3.67Å; F443-Q446 HydrophobicContact CE2-CG 4.25Å; F443-Q446 HydrophobicContact CG-CB 4.02Å; F443-Q446 HydrophobicContact CZ-CB 3.68Å; F443-Q446 HydrophobicContact CZ-CG 3.71Å; F443-Q446 WeakPolarHBondContact O-CB 3.31Å; F443-Q446 PolarHBondContact O-N 3.33Å
444	N	95.7	Very high	93.4	Very high	103 Å²	103	61.2 Å²	61.2	55%	0.551	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	129.4	-177.1	-171.1	70.3	0	0	0	111.9	Q446 I460	N444-Q446 VanDerWaalsContact C-N 3.31Å; N444-I460 HydrophobicContact CB-CB 4.11Å; N444-I460 HydrophobicContact CB-CG1 4.41Å; N444-I460 PolarHBondContact OD1-N 2.66Å
445	G	92.1	Very high	93.7	Very high	52 Å²	52	61.5 Å²	61.5	54%	0.536	34%	0.343	S	S	.	.	T	Hydrogen-bonded Turn	trans	80.9	6.8	-176.5	0	0	0	0	0	114.4	F443 V458	F443-G445 PolarHBondContact O-N 3.27Å; G445-V458 PolarHBondContact N-O 3.39Å
446	Q	96.5	Very high	93.8	Very high	22 Å²	22	56.3 Å²	56.3	10%	0.103	32%	0.316	C	S	.	.			trans	-62.8	147.2	169.7	-176.8	175.6	11.5	0	0	110.9	L442 F443 N444 L448 V458	L442-Q446 VanDerWaalsContact CA-OE1 3.3Å; F443-Q446 HydrophobicContact CD1-CB 4.02Å; F443-Q446 HydrophobicContact CD1-CG 4.12Å; F443-Q446 HydrophobicContact CD2-CB 3.85Å; F443-Q446 HydrophobicContact CE1-CB 3.86Å; F443-Q446 VanDerWaalsContact CE1-CD 3.47Å; F443-Q446 HydrophobicContact CE1-CG 3.64Å; F443-Q446 HydrophobicContact CE2-CB 3.67Å; F443-Q446 HydrophobicContact CE2-CG 4.25Å; F443-Q446 HydrophobicContact CG-CB 4.02Å; F443-Q446 HydrophobicContact CZ-CB 3.68Å; F443-Q446 HydrophobicContact CZ-CG 3.71Å; F443-Q446 WeakPolarHBondContact O-CB 3.31Å; F443-Q446 PolarHBondContact O-N 3.33Å; N444-Q446 VanDerWaalsContact C-N 3.31Å; Q446-L448 HydrophobicContact CG-CD2 3.99Å; Q446-V458 HydrophobicContact CB-CB 4Å; Q446-V458 HydrophobicContact CB-CG2 3.87Å; Q446-V458 HydrophobicContact CG-CG2 4.28Å; Q446-V458 PolarHBondContact O-N 2.84Å
447	L	95.8	Very high	93.9	Very high	104 Å²	104	55.5 Å²	55.5	55%	0.545	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131.5	169.6	-60.1	177.9	0	0	0	108.9	L455 L456 R457	L447-L455 HydrophobicContact CD1-CD1 4.39Å; L447-L456 CarbonylContact C-O 3.45Å; L447-L456 WeakPolarHBondContact CA-O 3.41Å; L447-R457 HydrophobicContact CD2-CB 4.44Å; L447-R457 HydrophobicContact CD2-CG 3.64Å
448	L	96.1	Very high	94	Very high	7 Å²	7	54.6 Å²	54.6	4%	0.037	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	129.6	179.2	-59.4	176.4	0	0	0	109.6	L433 I437 L442 Q446 L455 L456 V458 I467	L433-L448 HydrophobicContact CD1-CB 4.01Å; L433-L448 HydrophobicContact CD1-CD1 3.84Å; L433-L448 HydrophobicContact CD1-CG 4.35Å; L433-L448 HydrophobicContact CD2-CB 4.19Å; I437-L448 HydrophobicContact CG1-CD2 4.28Å; L442-L448 HydrophobicContact CD2-CD1 4.04Å; L442-L448 HydrophobicContact CD2-CD2 4.41Å; Q446-L448 HydrophobicContact CG-CD2 3.99Å; L448-L455 WeakPolarHBondContact O-CA 3.45Å; L448-L456 HydrophobicContact CB-CB 4.37Å; L448-L456 PolarHBondContact N-O 2.69Å; L448-L456 PolarHBondContact O-N 3.41Å; L448-V458 HydrophobicContact CD1-CG2 3.49Å; L448-V458 VanDerWaalsContact CD1-CG2 3.49Å; L448-V458 HydrophobicContact CD2-CG2 4.36Å; L448-V458 HydrophobicContact CG-CG2 3.66Å; L448-I467 HydrophobicContact CD1-CD1 3.92Å; L448-I467 HydrophobicContact CD1-CG1 4.37Å; L448-I467 HydrophobicContact CD1-CG2 4.48Å
449	E	95	Very high	94	Very high	92 Å²	92	55.1 Å²	55.1	43%	0.43	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	122.3	-179.1	-161.4	-171.5	156.1	0	0	111.6	L433 K434 Q454 L455	L433-E449 WeakPolarHBondContact CA-O 3.26Å; K434-E449 HydrophobicContact CD-CG 4.2Å; K434-E449 PolarHBondContact N-O 3.34Å; K434-E449 IonicContact NZ-OE1 2.69Å; K434-E449 PolarHBondContact NZ-OE1 3.07Å; E449-Q454 WeakPolarHBondContact CA-O 3.44Å; E449-L455 HydrophobicContact CB-CD2 4.07Å; E449-L455 HydrophobicContact CG-CD2 4.09Å
450	T	93.6	Very high	94.1	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	30%	0.302	C	S	.	.	B	Isolated β-bridge	trans	-74.3	166	175.5	67	0	0	0	0	111.6	N430 M432 L433 K434 S452 G453 Q454 L456	N430-T450 HydrophobicContact CB-CG2 4.37Å; M432-T450 CarbonylContact O-C 3.56Å; M432-T450 VanDerWaalsContact O-CA 3.23Å; M432-T450 WeakPolarHBondContact O-CA 3.33Å; L433-T450 HydrophobicContact CD2-CG2 4.19Å; K434-T450 WeakPolarHBondContact CE-O 3.41Å; T450-S452 PolarHBondContact O-N 3.47Å; T450-S452 PolarHBondContact OG1-N 3.44Å; T450-S452 PolarHBondContact OG1-OG 3.47Å; T450-G453 PolarHBondContact O-N 2.68Å; T450-G453 PolarHBondContact OG1-N 3.09Å; T450-Q454 HydrophobicContact CG2-CB 4.29Å; T450-Q454 PolarHBondContact N-O 2.96Å; T450-Q454 PolarHBondContact OG1-N 3.29Å; T450-Q454 PolarHBondContact OG1-O 2.99Å; T450-L456 HydrophobicContact CG2-CD1 3.88Å; T450-L456 HydrophobicContact CG2-CD2 3.9Å; T450-L456 HydrophobicContact CG2-CG 3.76Å
451	L	86.4	Confident	94.1	Very high	44 Å²	44	50.8 Å²	50.8	23%	0.23	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.5	-35.7	171.4	-65.5	-170.6	0	0	0	112.2	Y403 M432 K434 G453	Y403-L451 HydrophobicContact CD1-CD2 4.04Å; Y403-L451 HydrophobicContact CE1-CD2 3.94Å; M432-L451 HydrophobicContact CB-CB 4.49Å; M432-L451 HydrophobicContact CB-CD1 3.62Å; M432-L451 HydrophobicContact CB-CG 3.7Å; M432-L451 HydrophobicContact CE-CD1 3.7Å; M432-L451 HydrophobicContact CG-CD1 4.42Å; M432-L451 PolarHBondContact O-N 2.73Å; M432-L451 HydrophobicContact SD-CD1 4.08Å; K434-L451 WeakPolarHBondContact CE-O 2.98Å; K434-L451 HydrophobicContact CG-CD2 3.73Å; L451-G453 PolarHBondContact O-N 3.2Å
452	S	86.2	Confident	93.9	Very high	46 Å²	46	56.9 Å²	56.9	32%	0.322	29%	0.292	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-5.6	174	52.4	0	0	0	0	114.5	N430 T450 Q454	N430-S452 PolarHBondContact OD1-OG 2.93Å; T450-S452 PolarHBondContact O-N 3.47Å; T450-S452 PolarHBondContact OG1-N 3.44Å; T450-S452 PolarHBondContact OG1-OG 3.47Å; S452-Q454 VanDerWaalsContact C-N 3.34Å
453	G	89.1	Confident	93.6	Very high	36 Å²	36	60 Å²	60	37%	0.371	31%	0.312	S	S	.	.	S	Bend	trans	78.7	13.6	-178.6	0	0	0	0	0	114.6	T450 L451	T450-G453 PolarHBondContact O-N 2.68Å; T450-G453 PolarHBondContact OG1-N 3.09Å; L451-G453 PolarHBondContact O-N 3.2Å
454	Q	91.6	Very high	93.5	Very high	76 Å²	76	55.1 Å²	55.1	36%	0.355	29%	0.293	S	S	.	.			trans	-79.8	152.5	171.5	-58.3	-171.6	10.1	0	0	109.8	N430 E449 T450 S452	N430-Q454 PolarHBondContact ND2-OE1 2.99Å; N430-Q454 PolarHBondContact OD1-OE1 3.19Å; E449-Q454 WeakPolarHBondContact CA-O 3.44Å; T450-Q454 HydrophobicContact CG2-CB 4.29Å; T450-Q454 PolarHBondContact N-O 2.96Å; T450-Q454 PolarHBondContact OG1-N 3.29Å; T450-Q454 PolarHBondContact OG1-O 2.99Å; S452-Q454 VanDerWaalsContact C-N 3.34Å
455	L	93.9	Very high	93.6	Very high	93 Å²	93	51.3 Å²	51.3	49%	0.487	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	123.4	-178.9	-63.5	177.4	0	0	0	110.3	L447 L448 E449	L447-L455 HydrophobicContact CD1-CD1 4.39Å; L448-L455 WeakPolarHBondContact O-CA 3.45Å; E449-L455 HydrophobicContact CB-CD2 4.07Å; E449-L455 HydrophobicContact CG-CD2 4.09Å
456	L	95.7	Very high	93.8	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	133.8	176.8	-44.6	-179.5	0	0	0	110.4	L406 L433 L447 L448 T450 I467 E468 I491 P493	L406-L456 HydrophobicContact CD1-CD1 3.8Å; L433-L456 HydrophobicContact CD2-CD1 4Å; L447-L456 CarbonylContact C-O 3.45Å; L447-L456 WeakPolarHBondContact CA-O 3.41Å; L448-L456 HydrophobicContact CB-CB 4.37Å; L448-L456 PolarHBondContact N-O 2.69Å; L448-L456 PolarHBondContact O-N 3.41Å; T450-L456 HydrophobicContact CG2-CD1 3.88Å; T450-L456 HydrophobicContact CG2-CD2 3.9Å; T450-L456 HydrophobicContact CG2-CG 3.76Å; L456-I467 HydrophobicContact CB-CG2 3.55Å; L456-I467 HydrophobicContact CD1-CG2 3.64Å; L456-I467 HydrophobicContact CG-CG2 4.24Å; L456-E468 HydrophobicContact CB-CG 4.22Å; L456-E468 HydrophobicContact CD2-CG 4.19Å; L456-I491 HydrophobicContact CD1-CD1 4.28Å; L456-I491 HydrophobicContact CD1-CG2 4.13Å; L456-I491 HydrophobicContact CD2-CG2 3.83Å; L456-P493 HydrophobicContact CD2-CB 4.32Å; L456-P493 HydrophobicContact CD2-CG 3.53Å
457	R	95.9	Very high	93.8	Very high	31 Å²	31	47.8 Å²	47.8	12%	0.117	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.9	132.7	177.3	-62.3	165.9	-67.7	179.5	3.7	111.1	L447 F459 I467 E468 A615 I616	L447-R457 HydrophobicContact CD2-CB 4.44Å; L447-R457 HydrophobicContact CD2-CG 3.64Å; R457-F459 HydrophobicContact CB-CE1 3.65Å; R457-F459 HydrophobicContact CB-CE2 4.44Å; R457-F459 HydrophobicContact CB-CZ 3.55Å; R457-I467 WeakPolarHBondContact O-CA 3.28Å; R457-E468 VanDerWaalsContact CB-OE1 3.25Å; R457-E468 WeakPolarHBondContact CB-OE1 3.3Å; R457-E468 WeakPolarHBondContact CG-OE1 3.49Å; R457-E468 IonicContact CZ-OE1 2.75Å; R457-E468 IonicContact CZ-OE2 2.68Å; R457-E468 PolarHBondContact N-OE1 3.43Å; R457-E468 IonicContact NE-OE1 2.65Å; R457-E468 PolarHBondContact NE-OE1 3.3Å; R457-E468 IonicContact NE-OE2 3.93Å; R457-E468 PolarHBondContact NE-OE2 3.18Å; R457-E468 IonicContact NH2-OE1 2.67Å; R457-E468 IonicContact NH2-OE2 2.91Å; R457-E468 PolarHBondContact NH2-OE2 3.4Å; R457-E468 PolarHBondContact O-N 2.83Å; R457-A615 VanDerWaalsContact CZ-O 3.29Å; R457-A615 PolarHBondContact NH1-O 2.91Å; R457-A615 PolarHBondContact NH2-O 2.92Å; R457-I616 PolarHBondContact NH1-O 2.86Å
458	V	97.3	Very high	93.7	Very high	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	128.6	174.9	-175.1	0	0	0	0	110.5	L442 G445 Q446 L448 I460 V465 C466	L442-V458 HydrophobicContact CB-CG1 4.43Å; L442-V458 HydrophobicContact CD2-CG1 4.31Å; L442-V458 HydrophobicContact CD2-CG2 4.13Å; G445-V458 PolarHBondContact N-O 3.39Å; Q446-V458 HydrophobicContact CB-CB 4Å; Q446-V458 HydrophobicContact CB-CG2 3.87Å; Q446-V458 HydrophobicContact CG-CG2 4.28Å; Q446-V458 PolarHBondContact O-N 2.84Å; L448-V458 HydrophobicContact CD1-CG2 3.49Å; L448-V458 VanDerWaalsContact CD1-CG2 3.49Å; L448-V458 HydrophobicContact CD2-CG2 4.36Å; L448-V458 HydrophobicContact CG-CG2 3.66Å; V458-I460 HydrophobicContact CG1-CG1 4.1Å; V458-V465 HydrophobicContact CG1-CG1 4.31Å; V458-C466 WeakPolarHBondContact CA-O 3.5Å
459	F	95.9	Very high	93.5	Very high	13 Å²	13	44.3 Å²	44.3	6%	0.057	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	123.4	174.8	-46.4	-53.4	0	0	0	109.4	R457 Y461 C466 E468 I570 M614	R457-F459 HydrophobicContact CB-CE1 3.65Å; R457-F459 HydrophobicContact CB-CE2 4.44Å; R457-F459 HydrophobicContact CB-CZ 3.55Å; F459-Y461 HydrophobicContact CB-CD2 4.47Å; F459-Y461 HydrophobicContact CB-CE2 3.59Å; F459-Y461 WeakPolarHBondContact CB-OH 3.33Å; F459-C466 PolarHBondContact N-O 3.3Å; F459-C466 PolarHBondContact O-N 3.08Å; F459-E468 WeakPolarHBondContact CE2-O 3.48Å; F459-I570 HydrophobicContact CD1-CB 4.2Å; F459-I570 HydrophobicContact CD1-CG2 4.28Å; F459-I570 HydrophobicContact CD2-CG2 4.22Å; F459-I570 HydrophobicContact CE1-CB 3.83Å; F459-I570 HydrophobicContact CE1-CD1 3.78Å; F459-I570 HydrophobicContact CE1-CG1 4.38Å; F459-I570 HydrophobicContact CE1-CG2 3.86Å; F459-I570 HydrophobicContact CE2-CG2 3.79Å; F459-I570 HydrophobicContact CG-CG2 4.46Å; F459-I570 HydrophobicContact CZ-CB 4.07Å; F459-I570 HydrophobicContact CZ-CD1 3.84Å; F459-I570 HydrophobicContact CZ-CG2 3.6Å; F459-M614 HydrophobicContact CE2-CE 3.71Å; F459-M614 HydrophobicContact CZ-CE 3.97Å
460	I	95.8	Very high	93.4	Very high	63 Å²	63	40 Å²	40	32%	0.323	21%	0.208	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	116.4	177.2	-57.1	-168.6	0	0	0	109.5	L442 N444 V458 V465	L442-I460 HydrophobicContact CB-CD1 4.29Å; L442-I460 VanDerWaalsContact O-CD1 3.3Å; L442-I460 WeakPolarHBondContact O-CD1 3.22Å; N444-I460 HydrophobicContact CB-CB 4.11Å; N444-I460 HydrophobicContact CB-CG1 4.41Å; N444-I460 PolarHBondContact OD1-N 2.66Å; V458-I460 HydrophobicContact CG1-CG1 4.1Å; I460-V465 HydrophobicContact CD1-CG2 4.47Å; I460-V465 HydrophobicContact CG1-CG1 4.22Å; I460-V465 HydrophobicContact CG1-CG2 4.23Å; I460-V465 HydrophobicContact CG2-CG2 4.28Å
461	Y	94.3	Very high	93.5	Very high	43 Å²	43	40.3 Å²	40.3	17%	0.169	21%	0.21	C	C	.	.			trans	-103.1	176	176.8	-53.5	-78.5	0	0	0	110.1	F459 T463 A464 C466 I570 I571 I572 G575	F459-Y461 HydrophobicContact CB-CD2 4.47Å; F459-Y461 HydrophobicContact CB-CE2 3.59Å; F459-Y461 WeakPolarHBondContact CB-OH 3.33Å; Y461-T463 PolarHBondContact O-N 2.74Å; Y461-A464 HydrophobicContact CD2-CB 4.39Å; Y461-A464 PolarHBondContact N-O 3.09Å; Y461-C466 HydrophobicContact CE2-CB 4.25Å; Y461-I570 PolarHBondContact OH-O 3.5Å; Y461-I571 HydrophobicContact CE1-CG1 4.43Å; Y461-I571 HydrophobicContact CE1-CG2 4.46Å; Y461-I572 HydrophobicContact CE2-CG1 4.29Å; Y461-I572 PolarHBondContact OH-N 3.26Å; Y461-G575 VanDerWaalsContact CB-O 3.26Å; Y461-G575 WeakPolarHBondContact CB-O 3.28Å
462	R	92	Very high	94	Very high	231 Å²	231	39.3 Å²	39.3	87%	0.872	21%	0.205	S	C	*	.	S	Bend	trans	-59.7	-30.5	-178.9	-179.5	179.1	-70.9	-90.8	-2.8	113.5
463	T	91.2	Very high	94.4	Very high	82 Å²	82	39.6 Å²	39.6	50%	0.503	20%	0.204	S	C	.	.	S	Bend	trans	-134.1	0.7	-169.4	49.8	0	0	0	0	113.9	Y461 E577	Y461-T463 PolarHBondContact O-N 2.74Å; T463-E577 HydrophobicContact CG2-CB 4.4Å; T463-E577 HydrophobicContact CG2-CG 4.25Å
464	A	94.4	Very high	94.6	Very high	19 Å²	19	49.7 Å²	49.7	16%	0.157	23%	0.231	C	C	.	.			trans	-147.6	149.1	-174.7	0	0	0	0	0	111.1	Y461	Y461-A464 HydrophobicContact CD2-CB 4.39Å; Y461-A464 PolarHBondContact N-O 3.09Å
465	V	97.1	Very high	94.6	Very high	24 Å²	24	48.1 Å²	48.1	15%	0.145	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	132.5	168.2	177.2	0	0	0	0	106.7	L439 L442 V458 I460 M472	L439-V465 HydrophobicContact CD1-CG2 4.41Å; L442-V465 HydrophobicContact CD1-CG1 3.93Å; V458-V465 HydrophobicContact CG1-CG1 4.31Å; I460-V465 HydrophobicContact CD1-CG2 4.47Å; I460-V465 HydrophobicContact CG1-CG1 4.22Å; I460-V465 HydrophobicContact CG1-CG2 4.23Å; I460-V465 HydrophobicContact CG2-CG2 4.28Å; V465-M472 HydrophobicContact CB-SD 3.99Å; V465-M472 HydrophobicContact CG1-CG 4.5Å; V465-M472 HydrophobicContact CG1-SD 3.66Å; V465-M472 WeakPolarHBondContact O-CB 3.37Å; V465-M472 PolarHBondContact O-N 3.16Å
466	C	96.4	Very high	94.7	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	152.6	-177.4	-46.5	0	0	0	0	111.3	V458 F459 Y461 A470 C471 I572	V458-C466 WeakPolarHBondContact CA-O 3.5Å; F459-C466 PolarHBondContact N-O 3.3Å; F459-C466 PolarHBondContact O-N 3.08Å; Y461-C466 HydrophobicContact CE2-CB 4.25Å; C466-A470 CarbonylContact C-O 3.29Å; C466-A470 VanDerWaalsContact CA-O 3.25Å; C466-A470 WeakPolarHBondContact CA-O 3.4Å; C466-A470 WeakPolarHBondContact CB-O 3.05Å; C466-C471 HydrophobicContact CB-CB 3.99Å; C466-C471 WeakPolarHBondContact CB-SG 3.45Å; C466-C471 WeakPolarHBondContact SG-CB 3.33Å; C466-C471 CovalentContact SG-SG 2.05Å; C466-C471 PolarHBondContact SG-SG 3.04Å; C466-I572 HydrophobicContact CB-CD1 3.79Å
467	I	96.5	Very high	94.6	Very high	0 Å²	0	48.3 Å²	48.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	111.9	-178.8	-58.9	173.8	0	0	0	106.1	L406 L448 L456 R457 S469 A470 M487 I491	L406-I467 HydrophobicContact CD1-CD1 3.88Å; L406-I467 HydrophobicContact CD1-CG2 4.18Å; L406-I467 HydrophobicContact CD2-CD1 3.74Å; L406-I467 HydrophobicContact CG-CD1 4.47Å; L448-I467 HydrophobicContact CD1-CD1 3.92Å; L448-I467 HydrophobicContact CD1-CG1 4.37Å; L448-I467 HydrophobicContact CD1-CG2 4.48Å; L456-I467 HydrophobicContact CB-CG2 3.55Å; L456-I467 HydrophobicContact CD1-CG2 3.64Å; L456-I467 HydrophobicContact CG-CG2 4.24Å; R457-I467 WeakPolarHBondContact O-CA 3.28Å; I467-S469 PolarHBondContact O-N 3.23Å; I467-A470 PolarHBondContact N-O 2.66Å; I467-A470 PolarHBondContact O-N 3.19Å; I467-A470 VanDerWaalsContact O-N 3.09Å; I467-M487 HydrophobicContact CB-CE 4.2Å; I467-M487 HydrophobicContact CD1-CE 4.38Å; I467-M487 HydrophobicContact CG1-CE 4.43Å; I467-I491 HydrophobicContact CB-CD1 4.42Å; I467-I491 HydrophobicContact CG2-CD1 4.15Å
468	E	94.1	Very high	94.6	Very high	3 Å²	3	50.9 Å²	50.9	1%	0.014	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	-123.8	-165.1	-65	-61.6	139.4	0	0	112.1	L456 R457 F459 A470 I491 I572	L456-E468 HydrophobicContact CB-CG 4.22Å; L456-E468 HydrophobicContact CD2-CG 4.19Å; R457-E468 VanDerWaalsContact CB-OE1 3.25Å; R457-E468 WeakPolarHBondContact CB-OE1 3.3Å; R457-E468 WeakPolarHBondContact CG-OE1 3.49Å; R457-E468 IonicContact CZ-OE1 2.75Å; R457-E468 IonicContact CZ-OE2 2.68Å; R457-E468 PolarHBondContact N-OE1 3.43Å; R457-E468 IonicContact NE-OE1 2.65Å; R457-E468 PolarHBondContact NE-OE1 3.3Å; R457-E468 IonicContact NE-OE2 3.93Å; R457-E468 PolarHBondContact NE-OE2 3.18Å; R457-E468 IonicContact NH2-OE1 2.67Å; R457-E468 IonicContact NH2-OE2 2.91Å; R457-E468 PolarHBondContact NH2-OE2 3.4Å; R457-E468 PolarHBondContact O-N 2.83Å; F459-E468 WeakPolarHBondContact CE2-O 3.48Å; E468-A470 VanDerWaalsContact C-N 3.33Å; E468-I491 HydrophobicContact CB-CG2 4.27Å; E468-I491 HydrophobicContact CG-CG2 4.46Å; E468-I572 WeakPolarHBondContact O-CD1 3.47Å
469	S	90.6	Very high	94.4	Very high	35 Å²	35	51 Å²	51	25%	0.245	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-5	-179.3	53.6	0	0	0	0	114.9	I467 S489 L490	I467-S469 PolarHBondContact O-N 3.23Å; S469-S489 PolarHBondContact O-OG 2.91Å; S469-L490 PolarHBondContact OG-O 3.47Å
470	A	94.6	Very high	94	Very high	0 Å²	0	52.2 Å²	52.2	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	134.7	-172.1	0	0	0	0	0	112.2	C466 I467 E468 M487 S489 I491	C466-A470 CarbonylContact C-O 3.29Å; C466-A470 VanDerWaalsContact CA-O 3.25Å; C466-A470 WeakPolarHBondContact CA-O 3.4Å; C466-A470 WeakPolarHBondContact CB-O 3.05Å; I467-A470 PolarHBondContact N-O 2.66Å; I467-A470 PolarHBondContact O-N 3.19Å; I467-A470 VanDerWaalsContact O-N 3.09Å; E468-A470 VanDerWaalsContact C-N 3.33Å; A470-M487 HydrophobicContact CB-CB 4.39Å; A470-M487 HydrophobicContact CB-CE 3.71Å; A470-M487 VanDerWaalsContact O-CE 3.27Å; A470-M487 WeakPolarHBondContact O-CE 3.06Å; A470-S489 WeakPolarHBondContact CA-OG 3.36Å; A470-S489 VanDerWaalsContact CB-O 3.3Å; A470-S489 WeakPolarHBondContact CB-O 3.08Å; A470-I491 HydrophobicContact CB-CG1 3.64Å
471	C	95.5	Very high	93.7	Very high	7 Å²	7	49.5 Å²	49.5	5%	0.047	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	150.1	178.4	-64.8	0	0	0	0	111.7	C466 M487 T488 G574	C466-C471 HydrophobicContact CB-CB 3.99Å; C466-C471 WeakPolarHBondContact CB-SG 3.45Å; C466-C471 WeakPolarHBondContact SG-CB 3.33Å; C466-C471 CovalentContact SG-SG 2.05Å; C466-C471 PolarHBondContact SG-SG 3.04Å; C471-M487 CarbonylContact O-C 3.53Å; C471-M487 WeakPolarHBondContact O-CA 3.45Å; C471-T488 HydrophobicContact CB-CG2 4.19Å; C471-T488 PolarHBondContact N-OG1 3.06Å; C471-T488 WeakPolarHBondContact O-CG2 3.47Å; C471-T488 PolarHBondContact O-N 3.13Å; C471-T488 PolarHBondContact O-OG1 3.26Å; C471-G574 PolarHBondContact SG-O 3.19Å
472	M	96.4	Very high	93.7	Very high	24 Å²	24	47.5 Å²	47.5	12%	0.118	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-78.4	141.3	176.4	-65.5	178.9	62.6	0	0	110.8	L439 L442 V465 S476 H485 V486 M487	L439-M472 HydrophobicContact CD1-CE 3.76Å; L439-M472 HydrophobicContact CD1-SD 4.26Å; L442-M472 HydrophobicContact CD1-CE 4.33Å; L442-M472 HydrophobicContact CD1-SD 3.65Å; V465-M472 HydrophobicContact CB-SD 3.99Å; V465-M472 HydrophobicContact CG1-CG 4.5Å; V465-M472 HydrophobicContact CG1-SD 3.66Å; V465-M472 WeakPolarHBondContact O-CB 3.37Å; V465-M472 PolarHBondContact O-N 3.16Å; M472-S476 VanDerWaalsContact CE-OG 3.27Å; M472-S476 WeakPolarHBondContact CE-OG 3.48Å; M472-H485 HydrophobicContact CE-CB 3.73Å; M472-V486 CarbonylContact C-O 3.6Å; M472-V486 WeakPolarHBondContact CA-O 3.35Å; M472-M487 HydrophobicContact CG-CE 4.08Å; M472-M487 HydrophobicContact CG-SD 3.73Å
473	V	94.4	Very high	93.9	Very high	51 Å²	51	36.5 Å²	36.5	31%	0.309	20%	0.195	S	C	.	.			trans	-112.2	171.4	168.3	-58.1	0	0	0	0	111.2	L409 V486 T488	L409-V473 HydrophobicContact CD1-CG2 4.48Å; V473-V486 HydrophobicContact CG2-CB 3.69Å; V473-V486 HydrophobicContact CG2-CG1 3.44Å; V473-V486 VanDerWaalsContact CG2-CG1 3.44Å; V473-V486 PolarHBondContact N-O 2.84Å; V473-T488 HydrophobicContact CG1-CG2 3.61Å
474	R	92.9	Very high	94.2	Very high	248 Å²	248	32.6 Å²	32.6	94%	0.936	17%	0.171	S	C	*	.	S	Bend	trans	-62.6	144	174.3	-65.4	-177.2	180	-178.7	-0.6	110.5
475	G	91.2	Very high	94.4	Very high	43 Å²	43	31.8 Å²	31.8	44%	0.443	16%	0.164	S	C	.	.			trans	114.4	13.6	-173.3	0	0	0	0	0	114.2	V486	G475-V486 WeakPolarHBondContact O-CG2 3.27Å
476	S	95.8	Very high	94.4	Very high	40 Å²	40	30.8 Å²	30.8	28%	0.28	16%	0.158	S	C	.	.			trans	-62	143.1	165.4	-63.4	0	0	0	0	110.5	M472 L484	M472-S476 VanDerWaalsContact CE-OG 3.27Å; M472-S476 WeakPolarHBondContact CE-OG 3.48Å; S476-L484 CarbonylContact C-O 3.45Å; S476-L484 WeakPolarHBondContact CA-O 3.46Å
477	K	95.5	Very high	94.4	Very high	58 Å²	58	30.8 Å²	30.8	25%	0.252	16%	0.158	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	158.9	-175.5	-64.6	171.6	163.2	-143	0	110.6	D368 L376 A483 L484	D368-K477 IonicContact OD1-NZ 2.75Å; D368-K477 WeakPolarHBondContact OD2-CD 3.49Å; D368-K477 WeakPolarHBondContact OD2-CE 3.49Å; D368-K477 WeakPolarHBondContact OD2-CG 3.05Å; D368-K477 IonicContact OD2-NZ 3.43Å; D368-K477 PolarHBondContact OD2-NZ 3.44Å; L376-K477 HydrophobicContact CB-CB 4.4Å; L376-K477 HydrophobicContact CB-CD 3.91Å; L376-K477 HydrophobicContact CD1-CB 4.15Å; L376-K477 HydrophobicContact CD2-CB 4.23Å; L376-K477 HydrophobicContact CD2-CD 4.31Å; L376-K477 WeakPolarHBondContact O-CD 3.35Å; L376-K477 VanDerWaalsContact O-CE 3.32Å; L376-K477 WeakPolarHBondContact O-CE 2.97Å; L376-K477 PolarHBondContact O-NZ 2.03Å; K477-A483 CarbonylContact O-C 3.59Å; K477-A483 WeakPolarHBondContact O-CA 3.43Å; K477-L484 HydrophobicContact CB-CB 4.42Å; K477-L484 PolarHBondContact N-O 3.44Å; K477-L484 PolarHBondContact O-N 3.23Å
478	E	94.6	Very high	94.3	Very high	84 Å²	84	33.5 Å²	33.5	39%	0.393	17%	0.174	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	138.4	170.3	-66.1	-169.9	-129.7	0	0	109.8	D368 S369 K436 S438 A483	D368-E478 CarbonylContact C-O 3.23Å; S369-E478 WeakPolarHBondContact CA-O 3.43Å; S369-E478 PolarHBondContact N-O 2.85Å; K436-E478 WeakPolarHBondContact CE-OE2 3.31Å; K436-E478 IonicContact NZ-OE2 3.64Å; K436-E478 PolarHBondContact NZ-OE2 3.02Å; S438-E478 VanDerWaalsContact CB-CD 3.45Å; S438-E478 WeakPolarHBondContact CB-OE1 3.45Å; E478-A483 HydrophobicContact CG-CB 4.26Å
479	G	92.6	Very high	94.2	Very high	2 Å²	2	35 Å²	35	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	-173.4	176.1	0	0	0	0	0	112	D368 S369 K371 K436 N481 G482	D368-G479 WeakPolarHBondContact O-CA 3.37Å; S369-G479 CarbonylContact O-C 3.57Å; K371-G479 CarbonylContact O-C 3.54Å; K371-G479 WeakPolarHBondContact O-CA 3.5Å; K436-G479 PolarHBondContact NZ-O 2.81Å; G479-N481 PolarHBondContact O-N 3.02Å; G479-G482 PolarHBondContact N-O 2.98Å; G479-G482 PolarHBondContact O-N 3.46Å; G479-G482 VanDerWaalsContact O-O 3.11Å
480	M	89	Confident	94.4	Very high	40 Å²	40	34.9 Å²	34.9	20%	0.197	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.2	-54.9	-171.7	174.9	167	59.9	0	0	111.9	N293 V296 S369 K371 E372	N293-M480 PolarHBondContact ND2-SD 2.76Å; N293-M480 VanDerWaalsContact ND2-SD 3.39Å; V296-M480 HydrophobicContact CB-SD 4.39Å; V296-M480 HydrophobicContact CG1-SD 4.11Å; V296-M480 HydrophobicContact CG2-CB 4.18Å; V296-M480 HydrophobicContact CG2-CG 3.96Å; V296-M480 HydrophobicContact CG2-SD 4.01Å; S369-M480 PolarHBondContact O-N 2.84Å; S369-M480 VanDerWaalsContact O-N 3.16Å; K371-M480 PolarHBondContact O-N 3.3Å; E372-M480 HydrophobicContact CG-CE 4.37Å
481	N	89.1	Confident	94.3	Very high	6 Å²	6	34.9 Å²	34.9	3%	0.032	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	15.6	-178.3	74.9	-26.9	0	0	0	114.1	E372 V373 S398 Q402 Y403 G479	E372-N481 VanDerWaalsContact CA-OD1 3.32Å; E372-N481 WeakPolarHBondContact CA-OD1 3.27Å; V373-N481 PolarHBondContact N-OD1 2.86Å; S398-N481 PolarHBondContact O-ND2 3.44Å; S398-N481 VanDerWaalsContact O-ND2 3.17Å; Q402-N481 VanDerWaalsContact CA-O 3.29Å; Q402-N481 WeakPolarHBondContact CA-O 3.5Å; Y403-N481 PolarHBondContact N-O 3.15Å; Y403-N481 VanDerWaalsContact N-O 3.07Å; G479-N481 PolarHBondContact O-N 3.02Å
482	G	93.6	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.7	-168.4	178	0	0	0	0	0	117.6	Y403 K436 G479	Y403-G482 CarbonylContact O-C 3.28Å; Y403-G482 WeakPolarHBondContact O-CA 3.3Å; K436-G482 WeakPolarHBondContact CE-O 3.49Å; K436-G482 PolarHBondContact NZ-O 2.96Å; G479-G482 PolarHBondContact N-O 2.98Å; G479-G482 PolarHBondContact O-N 3.46Å; G479-G482 VanDerWaalsContact O-O 3.11Å
483	A	96.6	Very high	93.4	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	155.3	174.4	0	0	0	0	0	110.8	V373 Y403 T404 L405 K436 I437 K477 E478	V373-A483 WeakPolarHBondContact CG2-O 2.97Å; Y403-A483 PolarHBondContact O-N 2.9Å; T404-A483 CarbonylContact C-O 3.49Å; T404-A483 VanDerWaalsContact CA-O 3.3Å; T404-A483 WeakPolarHBondContact CA-O 3.25Å; T404-A483 HydrophobicContact CG2-CB 4.15Å; L405-A483 PolarHBondContact N-O 2.04Å; K436-A483 HydrophobicContact CG-CB 4.26Å; I437-A483 VanDerWaalsContact O-CB 3.23Å; I437-A483 WeakPolarHBondContact O-CB 3.41Å; K477-A483 CarbonylContact O-C 3.59Å; K477-A483 WeakPolarHBondContact O-CA 3.43Å; E478-A483 HydrophobicContact CG-CB 4.26Å
484	L	97.4	Very high	93.3	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	137.4	171.4	-176.9	147.8	0	0	0	109.5	L376 V377 L405 A407 S476 K477 V486	L376-L484 HydrophobicContact CB-CB 3.92Å; L376-L484 HydrophobicContact CB-CD1 4.04Å; L376-L484 HydrophobicContact CD1-CB 4.04Å; V377-L484 HydrophobicContact CB-CD1 4.31Å; V377-L484 HydrophobicContact CG2-CD1 3.8Å; L405-L484 HydrophobicContact CB-CD1 4.48Å; L405-L484 HydrophobicContact CB-CG 4.46Å; L405-L484 CarbonylContact O-C 3.58Å; L405-L484 WeakPolarHBondContact O-CA 3.2Å; A407-L484 HydrophobicContact CB-CD1 3.93Å; A407-L484 HydrophobicContact CB-CD2 4.33Å; A407-L484 HydrophobicContact CB-CG 4.05Å; S476-L484 CarbonylContact C-O 3.45Å; S476-L484 WeakPolarHBondContact CA-O 3.46Å; K477-L484 HydrophobicContact CB-CB 4.42Å; K477-L484 PolarHBondContact N-O 3.44Å; K477-L484 PolarHBondContact O-N 3.23Å; L484-V486 HydrophobicContact CD2-CG2 3.69Å
485	H	97.9	Very high	93.2	Very high	2 Å²	2	31.6 Å²	31.6	1%	0.009	18%	0.18	C	C	.	.			trans	-128.1	119.6	179.1	-71	-2.8	0	0	0	108.2	L405 L406 A407 I437 M472 M487	L405-H485 PolarHBondContact O-N 2.75Å; L406-H485 CarbonylContact C-O 3.59Å; L406-H485 VanDerWaalsContact C-O 3.23Å; L406-H485 WeakPolarHBondContact CA-O 3.4Å; L406-H485 HydrophobicContact CD2-CB 3.9Å; A407-H485 PolarHBondContact N-O 3.47Å; I437-H485 PolarHBondContact O-CE1 3.04Å; I437-H485 PolarHBondContact O-NE2 2.91Å; M472-H485 HydrophobicContact CE-CB 3.73Å; H485-M487 HydrophobicContact CB-SD 4.37Å
486	V	97.4	Very high	93.4	Very high	3 Å²	3	33.3 Å²	33.3	2%	0.018	18%	0.175	C	C	.	.			trans	-83.3	125.4	-177.2	-174.4	0	0	0	0	109.8	Q381 A407 L409 M472 V473 G475 L484	Q381-V486 HydrophobicContact CG-CG1 4.19Å; Q381-V486 HydrophobicContact CG-CG2 4.32Å; Q381-V486 VanDerWaalsContact NE2-CG1 3.29Å; A407-V486 VanDerWaalsContact O-CA 3.31Å; A407-V486 WeakPolarHBondContact O-CA 3.4Å; L409-V486 HydrophobicContact CD2-CG1 3.65Å; L409-V486 HydrophobicContact CG-CG1 3.99Å; M472-V486 CarbonylContact C-O 3.6Å; M472-V486 WeakPolarHBondContact CA-O 3.35Å; V473-V486 HydrophobicContact CG2-CB 3.69Å; V473-V486 HydrophobicContact CG2-CG1 3.44Å; V473-V486 VanDerWaalsContact CG2-CG1 3.44Å; V473-V486 PolarHBondContact N-O 2.84Å; G475-V486 WeakPolarHBondContact O-CG2 3.27Å; L484-V486 HydrophobicContact CD2-CG2 3.69Å
487	M	96.8	Very high	93.5	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-106.8	145.3	-174	-52.9	-54.8	-66.4	0	0	113	L406 A407 L409 I467 A470 C471 M472 H485 S489 I491	L406-M487 HydrophobicContact CB-CG 3.9Å; L406-M487 HydrophobicContact CB-SD 4.33Å; L406-M487 VanDerWaalsContact O-CG 3.23Å; L406-M487 WeakPolarHBondContact O-CG 3.42Å; A407-M487 PolarHBondContact O-N 3.46Å; L409-M487 PolarHBondContact N-O 2.7Å; L409-M487 VanDerWaalsContact N-O 3.09Å; I467-M487 HydrophobicContact CB-CE 4.2Å; I467-M487 HydrophobicContact CD1-CE 4.38Å; I467-M487 HydrophobicContact CG1-CE 4.43Å; A470-M487 HydrophobicContact CB-CB 4.39Å; A470-M487 HydrophobicContact CB-CE 3.71Å; A470-M487 VanDerWaalsContact O-CE 3.27Å; A470-M487 WeakPolarHBondContact O-CE 3.06Å; C471-M487 CarbonylContact O-C 3.53Å; C471-M487 WeakPolarHBondContact O-CA 3.45Å; M472-M487 HydrophobicContact CG-CE 4.08Å; M472-M487 HydrophobicContact CG-SD 3.73Å; H485-M487 HydrophobicContact CB-SD 4.37Å; M487-S489 VanDerWaalsContact C-N 3.3Å; M487-S489 PolarHBondContact O-N 2.92Å; M487-I491 HydrophobicContact CE-CD1 4.39Å
488	T	94.1	Very high	93.6	Very high	57 Å²	57	29.6 Å²	29.6	35%	0.35	16%	0.155	S	C	.	.	S	Bend	trans	-67.2	-26.3	177.2	49.9	0	0	0	0	114.6	V412 C471 V473	V412-T488 WeakPolarHBondContact CG1-O 3.07Å; C471-T488 HydrophobicContact CB-CG2 4.19Å; C471-T488 PolarHBondContact N-OG1 3.06Å; C471-T488 WeakPolarHBondContact O-CG2 3.47Å; C471-T488 PolarHBondContact O-N 3.13Å; C471-T488 PolarHBondContact O-OG1 3.26Å; V473-T488 HydrophobicContact CG1-CG2 3.61Å
489	S	92.5	Very high	93.7	Very high	35 Å²	35	27.3 Å²	27.3	25%	0.245	14%	0.144	C	C	.	.	S	Bend	trans	-162	166	-160.5	36.9	0	0	0	0	109.7	S469 A470 M487	S469-S489 PolarHBondContact O-OG 2.91Å; A470-S489 WeakPolarHBondContact CA-OG 3.36Å; A470-S489 VanDerWaalsContact CB-O 3.3Å; A470-S489 WeakPolarHBondContact CB-O 3.08Å; M487-S489 VanDerWaalsContact C-N 3.3Å; M487-S489 PolarHBondContact O-N 2.92Å
490	L	93.7	Very high	93.9	Very high	32 Å²	32	31.6 Å²	31.6	17%	0.168	16%	0.164	C	C	.	.			trans	-72	135.4	174.4	-57.9	173.4	0	0	0	110.7	P408 V412 F413 V417 I427 S469 K492	P408-L490 HydrophobicContact CB-CD2 4.22Å; P408-L490 HydrophobicContact CG-CD2 3.92Å; V412-L490 HydrophobicContact CB-CG 4.41Å; V412-L490 HydrophobicContact CG2-CD2 3.6Å; V412-L490 HydrophobicContact CG2-CG 3.79Å; F413-L490 HydrophobicContact CE1-CD2 3.94Å; F413-L490 HydrophobicContact CZ-CD2 4.02Å; V417-L490 HydrophobicContact CG1-CD1 3.74Å; V417-L490 HydrophobicContact CG2-CD1 4.08Å; I427-L490 HydrophobicContact CD1-CD1 4.34Å; I427-L490 HydrophobicContact CG2-CD1 4.47Å; I427-L490 HydrophobicContact CG2-CD2 3.96Å; S469-L490 PolarHBondContact OG-O 3.47Å; L490-K492 PolarHBondContact O-N 2.73Å
491	I	92.9	Very high	94.3	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.005	17%	0.166	C	C	.	.			trans	-77.7	114.2	171	-64.5	171.5	0	0	0	108.5	L406 H431 L456 I467 E468 A470 M487 P493	L406-I491 HydrophobicContact CB-CD1 3.92Å; L406-I491 HydrophobicContact CD1-CD1 3.39Å; L406-I491 HydrophobicContact CG-CD1 4.3Å; H431-I491 PolarHBondContact CE1-N 2.6Å; H431-I491 VanDerWaalsContact CE1-N 3.29Å; H431-I491 PolarHBondContact NE2-N 2.83Å; L456-I491 HydrophobicContact CD1-CD1 4.28Å; L456-I491 HydrophobicContact CD1-CG2 4.13Å; L456-I491 HydrophobicContact CD2-CG2 3.83Å; I467-I491 HydrophobicContact CB-CD1 4.42Å; I467-I491 HydrophobicContact CG2-CD1 4.15Å; E468-I491 HydrophobicContact CB-CG2 4.27Å; E468-I491 HydrophobicContact CG-CG2 4.46Å; A470-I491 HydrophobicContact CB-CG1 3.64Å; M487-I491 HydrophobicContact CE-CD1 4.39Å; I491-P493 HydrophobicContact CG2-CG 4.42Å
492	K	85.9	Confident	94.6	Very high	115 Å²	115	31.7 Å²	31.7	50%	0.5	17%	0.165	S	C	.	.			trans	-114.7	110.3	163.2	-174.9	176.2	179	177.6	0	108.6	L490	L490-K492 PolarHBondContact O-N 2.73Å
493	P	87.9	Confident	94.8	Very high	21 Å²	21	36.4 Å²	36.4	14%	0.136	19%	0.19	C	C	.	.			trans	-62.7	148.3	175.2	-24.4	37.8	0	0	0	111.4	N430 L456 I491 D495	N430-P493 WeakPolarHBondContact ND2-CD 3.45Å; L456-P493 HydrophobicContact CD2-CB 4.32Å; L456-P493 HydrophobicContact CD2-CG 3.53Å; I491-P493 HydrophobicContact CG2-CG 4.42Å; P493-D495 PolarHBondContact O-N 3.48Å
494	A	91.8	Very high	94.8	Very high	21 Å²	21	39.9 Å²	39.9	17%	0.174	22%	0.219	C	C	.	.			trans	-74.4	122.9	179.1	0	0	0	0	0	111.6	M614 I616	A494-M614 HydrophobicContact CB-CB 4.17Å; A494-M614 WeakPolarHBondContact CB-O 3.34Å; A494-I616 HydrophobicContact CB-CG1 4.39Å; A494-I616 WeakPolarHBondContact O-CG1 3.47Å
495	D	91.8	Very high	94.6	Very high	104 Å²	104	42.4 Å²	42.4	56%	0.556	23%	0.232	S	C	*	.			trans	-98.9	-8.5	-179.3	63.4	-30.3	0	0	0	113.6	P493	P493-D495 PolarHBondContact O-N 3.48Å
496	K	95.4	Very high	94.5	Very high	79 Å²	79	43.1 Å²	43.1	34%	0.343	24%	0.24	S	C	.	.	S	Bend	trans	-135.8	151.3	-171.9	-69.6	175.5	-174	-175.2	0	112.8	E500 L501 A615 I616	K496-E500 HydrophobicContact CB-CB 4.09Å; K496-E500 HydrophobicContact CG-CB 4.36Å; K496-L501 HydrophobicContact CB-CD2 3.99Å; K496-L501 HydrophobicContact CB-CG 3.85Å; K496-L501 HydrophobicContact CD-CD2 3.97Å; K496-A615 CarbonylContact O-C 3.5Å; K496-A615 VanDerWaalsContact O-CA 3.32Å; K496-A615 WeakPolarHBondContact O-CA 3.36Å; K496-I616 PolarHBondContact O-N 2.81Å
497	T	97	Very high	94.4	Very high	19 Å²	19	47.1 Å²	47.1	12%	0.117	26%	0.261	C	S	.	.			trans	-71	162.7	167.2	63.4	0	0	0	0	111.6	F499 E500 L501	T497-F499 PolarHBondContact O-N 2.8Å; T497-E500 VanDerWaalsContact CB-OE2 3.29Å; T497-E500 WeakPolarHBondContact CB-OE2 3.41Å; T497-E500 WeakPolarHBondContact CG2-OE2 3.25Å; T497-E500 PolarHBondContact N-OE2 3.45Å; T497-E500 PolarHBondContact O-N 3.25Å; T497-E500 VanDerWaalsContact OG1-CD 3.25Å; T497-E500 WeakPolarHBondContact OG1-CG 3.43Å; T497-E500 PolarHBondContact OG1-N 3.34Å; T497-E500 PolarHBondContact OG1-OE2 2.81Å; T497-L501 WeakPolarHBondContact O-CG 3.36Å; T497-L501 PolarHBondContact O-N 3.42Å; T497-L501 VanDerWaalsContact O-N 3.09Å
498	A	97.1	Very high	94.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	26%	0.262	C	S	.	.	H	α-helix	trans	-59	-32.2	175.5	0	0	0	0	0	112.4	L502 L524 I532 A615 N617 V620	A498-L502 WeakPolarHBondContact O-CD1 3.3Å; A498-L502 WeakPolarHBondContact O-CG 3.45Å; A498-L502 PolarHBondContact O-N 2.9Å; A498-L524 HydrophobicContact CB-CD2 4.02Å; A498-L524 PolarHBondContact N-O 3.25Å; A498-I532 HydrophobicContact CB-CD1 3.47Å; A498-I532 VanDerWaalsContact CB-CD1 3.47Å; A498-A615 HydrophobicContact CB-CB 4.12Å; A498-N617 PolarHBondContact N-OD1 3.14Å; A498-V620 HydrophobicContact CB-CG2 4.04Å
499	F	97.3	Very high	94.5	Very high	36 Å²	36	51.3 Å²	51.3	16%	0.158	28%	0.275	C	S	.	.	H	α-helix	trans	-62.4	-53.7	173.4	-175.6	-92.4	0	0	0	111.8	T497 L501 L502 D503 L512 E521 L524 K525	T497-F499 PolarHBondContact O-N 2.8Å; F499-L501 VanDerWaalsContact C-N 3.26Å; F499-L501 PolarHBondContact O-N 2.82Å; F499-L502 PolarHBondContact O-N 3.12Å; F499-L502 VanDerWaalsContact O-N 3.16Å; F499-D503 HydrophobicContact CE1-CB 4.42Å; F499-D503 WeakPolarHBondContact O-CB 3.49Å; F499-D503 PolarHBondContact O-N 3.31Å; F499-L512 HydrophobicContact CD2-CD2 3.97Å; F499-L512 HydrophobicContact CE2-CD2 4.06Å; F499-E521 HydrophobicContact CD2-CG 4.06Å; F499-E521 HydrophobicContact CE2-CG 3.78Å; F499-E521 WeakPolarHBondContact CE2-OE1 3.37Å; F499-E521 WeakPolarHBondContact CZ-OE1 3.48Å; F499-L524 HydrophobicContact CB-CB 3.78Å; F499-L524 HydrophobicContact CD2-CB 4.3Å; F499-L524 HydrophobicContact CD2-CD1 4.43Å; F499-L524 PolarHBondContact N-O 3.36Å; F499-K525 HydrophobicContact CB-CG 3.62Å; F499-K525 HydrophobicContact CD1-CD 4.5Å; F499-K525 HydrophobicContact CD1-CG 4.28Å; F499-K525 HydrophobicContact CD2-CD 4.37Å; F499-K525 HydrophobicContact CD2-CG 4.1Å; F499-K525 VanDerWaalsContact CE2-CE 3.41Å; F499-K525 HydrophobicContact CG-CD 4.24Å; F499-K525 VanDerWaalsContact CG-CE 3.42Å; F499-K525 HydrophobicContact CG-CG 3.74Å
500	E	97.4	Very high	94.6	Very high	92 Å²	92	52 Å²	52	43%	0.43	28%	0.275	S	S	.	.	H	α-helix	trans	-66.1	-27.1	-176.3	-67.5	157.6	139.1	0	0	112.9	K496 T497 A504	K496-E500 HydrophobicContact CB-CB 4.09Å; K496-E500 HydrophobicContact CG-CB 4.36Å; T497-E500 VanDerWaalsContact CB-OE2 3.29Å; T497-E500 WeakPolarHBondContact CB-OE2 3.41Å; T497-E500 WeakPolarHBondContact CG2-OE2 3.25Å; T497-E500 PolarHBondContact N-OE2 3.45Å; T497-E500 PolarHBondContact O-N 3.25Å; T497-E500 VanDerWaalsContact OG1-CD 3.25Å; T497-E500 WeakPolarHBondContact OG1-CG 3.43Å; T497-E500 PolarHBondContact OG1-N 3.34Å; T497-E500 PolarHBondContact OG1-OE2 2.81Å; E500-A504 WeakPolarHBondContact O-CB 3.12Å; E500-A504 PolarHBondContact O-N 3.09Å
501	L	96.2	Very high	94.8	Very high	45 Å²	45	50.4 Å²	50.4	24%	0.236	27%	0.267	C	S	.	.	H	α-helix	trans	-71.4	-43.5	172.1	-71.2	168.4	0	0	0	112.4	K496 T497 F499 D505 M614 A615	K496-L501 HydrophobicContact CB-CD2 3.99Å; K496-L501 HydrophobicContact CB-CG 3.85Å; K496-L501 HydrophobicContact CD-CD2 3.97Å; T497-L501 WeakPolarHBondContact O-CG 3.36Å; T497-L501 PolarHBondContact O-N 3.42Å; T497-L501 VanDerWaalsContact O-N 3.09Å; F499-L501 VanDerWaalsContact C-N 3.26Å; F499-L501 PolarHBondContact O-N 2.82Å; L501-D505 WeakPolarHBondContact O-CB 3.43Å; L501-D505 PolarHBondContact O-N 3.4Å; L501-M614 WeakPolarHBondContact CD1-O 3.31Å; L501-A615 HydrophobicContact CD1-CB 3.69Å
502	L	96.8	Very high	95	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.016	27%	0.271	C	S	.	.	H	α-helix	trans	-72	-40.5	-179	-69.4	169.7	0	0	0	112.1	A498 F499 G506 F508 F511 L512 L524 A534 V620	A498-L502 WeakPolarHBondContact O-CD1 3.3Å; A498-L502 WeakPolarHBondContact O-CG 3.45Å; A498-L502 PolarHBondContact O-N 2.9Å; F499-L502 PolarHBondContact O-N 3.12Å; F499-L502 VanDerWaalsContact O-N 3.16Å; L502-G506 PolarHBondContact O-N 3.45Å; L502-F508 HydrophobicContact CB-CB 4.21Å; L502-F508 HydrophobicContact CB-CD2 4.27Å; L502-F508 HydrophobicContact CB-CG 4.33Å; L502-F508 HydrophobicContact CD2-CB 4.22Å; L502-F508 HydrophobicContact CD2-CD1 3.72Å; L502-F508 HydrophobicContact CD2-CD2 3.6Å; L502-F508 HydrophobicContact CD2-CE1 3.91Å; L502-F508 HydrophobicContact CD2-CE2 3.8Å; L502-F508 HydrophobicContact CD2-CG 3.56Å; L502-F508 HydrophobicContact CD2-CZ 3.96Å; L502-F511 HydrophobicContact CD1-CD1 4.26Å; L502-F511 HydrophobicContact CD1-CE1 3.99Å; L502-L512 HydrophobicContact CB-CD1 4.29Å; L502-L512 HydrophobicContact CB-CD2 4.21Å; L502-L512 HydrophobicContact CD1-CD2 4.33Å; L502-L524 HydrophobicContact CD1-CD1 4.24Å; L502-L524 HydrophobicContact CD1-CD2 4.08Å; L502-A534 HydrophobicContact CD1-CB 4.41Å; L502-A534 HydrophobicContact CD2-CB 3.55Å; L502-V620 HydrophobicContact CD2-CG1 4.02Å
503	D	96.8	Very high	95.5	Very high	100 Å²	100	47.5 Å²	47.5	54%	0.535	26%	0.26	S	S	.	.	H	α-helix	trans	-64.4	-44.9	177	-171.9	57.3	0	0	0	111.3	F499 D505 G506 L512	F499-D503 HydrophobicContact CE1-CB 4.42Å; F499-D503 WeakPolarHBondContact O-CB 3.49Å; F499-D503 PolarHBondContact O-N 3.31Å; D503-D505 PolarHBondContact O-N 3.03Å; D503-G506 WeakPolarHBondContact O-CA 3.5Å; D503-G506 PolarHBondContact O-N 2.78Å; D503-L512 HydrophobicContact CB-CD1 4.2Å
504	A	96.1	Very high	95.9	Very high	73 Å²	73	46.7 Å²	46.7	60%	0.603	25%	0.254	S	S	*	.	H	α-helix	trans	-71.5	-26.6	179.8	0	0	0	0	0	114.8	E500 G506	E500-A504 WeakPolarHBondContact O-CB 3.12Å; E500-A504 PolarHBondContact O-N 3.09Å; A504-G506 VanDerWaalsContact C-N 3.33Å
505	D	94.9	Very high	96.1	Very high	53 Å²	53	45.7 Å²	45.7	28%	0.283	25%	0.246	S	C	.	.	H	α-helix	trans	-73.8	-28.9	171.9	-167	-74	0	0	0	110.8	L501 D503 N507 F508 K610	L501-D505 WeakPolarHBondContact O-CB 3.43Å; L501-D505 PolarHBondContact O-N 3.4Å; D503-D505 PolarHBondContact O-N 3.03Å; D505-N507 PolarHBondContact O-N 3.41Å; D505-N507 VanDerWaalsContact O-N 3.16Å; D505-N507 PolarHBondContact O-ND2 3.47Å; D505-N507 PolarHBondContact OD1-ND2 2.97Å; D505-F508 HydrophobicContact CB-CD2 4.11Å; D505-F508 HydrophobicContact CB-CE2 3.88Å; D505-F508 WeakPolarHBondContact OD1-CE2 3.32Å; D505-K610 IonicContact OD2-NZ 2.66Å; D505-K610 PolarHBondContact OD2-NZ 2.82Å
506	G	94.1	Very high	96.3	Very high	16 Å²	16	46.7 Å²	46.7	17%	0.165	25%	0.247	C	C	.	.			trans	76.3	-3.6	167.7	0	0	0	0	0	115.9	L502 D503 A504 K509	L502-G506 PolarHBondContact O-N 3.45Å; D503-G506 WeakPolarHBondContact O-CA 3.5Å; D503-G506 PolarHBondContact O-N 2.78Å; A504-G506 VanDerWaalsContact C-N 3.33Å; G506-K509 VanDerWaalsContact O-CE 3.27Å; G506-K509 WeakPolarHBondContact O-CE 3.19Å; G506-K509 PolarHBondContact O-NZ 3.27Å
507	N	95.9	Very high	96.3	Very high	88 Å²	88	45.4 Å²	45.4	47%	0.471	25%	0.246	S	C	.	.	S	Bend	trans	-98.4	21.9	179.3	-57.7	-63.9	0	0	0	113.3	D505 T536 D537	D505-N507 PolarHBondContact O-N 3.41Å; D505-N507 VanDerWaalsContact O-N 3.16Å; D505-N507 PolarHBondContact O-ND2 3.47Å; D505-N507 PolarHBondContact OD1-ND2 2.97Å; N507-T536 CarbonylContact O-C 3.47Å; N507-T536 VanDerWaalsContact O-CA 3.32Å; N507-T536 WeakPolarHBondContact O-CA 3.46Å; N507-D537 VanDerWaalsContact C-CG 3.49Å; N507-D537 PolarHBondContact O-N 3.5Å
508	F	96.9	Very high	96.2	Very high	4 Å²	4	44.5 Å²	44.5	2%	0.018	24%	0.241	C	C	.	.			trans	-133.2	18.5	-173.1	-60.5	-80	0	0	0	113.5	L502 D505 I510 F511 L512 A534 P535 T536 D537 V622	L502-F508 HydrophobicContact CB-CB 4.21Å; L502-F508 HydrophobicContact CB-CD2 4.27Å; L502-F508 HydrophobicContact CB-CG 4.33Å; L502-F508 HydrophobicContact CD2-CB 4.22Å; L502-F508 HydrophobicContact CD2-CD1 3.72Å; L502-F508 HydrophobicContact CD2-CD2 3.6Å; L502-F508 HydrophobicContact CD2-CE1 3.91Å; L502-F508 HydrophobicContact CD2-CE2 3.8Å; L502-F508 HydrophobicContact CD2-CG 3.56Å; L502-F508 HydrophobicContact CD2-CZ 3.96Å; D505-F508 HydrophobicContact CB-CD2 4.11Å; D505-F508 HydrophobicContact CB-CE2 3.88Å; D505-F508 WeakPolarHBondContact OD1-CE2 3.32Å; F508-I510 VanDerWaalsContact C-N 3.33Å; F508-I510 PolarHBondContact O-N 3.44Å; F508-F511 PolarHBondContact O-N 2.78Å; F508-L512 WeakPolarHBondContact O-CG 3.35Å; F508-L512 PolarHBondContact O-N 3.18Å; F508-A534 HydrophobicContact CD1-CB 4.02Å; F508-A534 HydrophobicContact CE1-CB 3.76Å; F508-P535 WeakPolarHBondContact CD1-O 3.45Å; F508-T536 HydrophobicContact CE1-CG2 3.73Å; F508-T536 HydrophobicContact CZ-CG2 3.95Å; F508-D537 WeakPolarHBondContact CA-OD1 3.39Å; F508-D537 PolarHBondContact N-OD2 3.32Å; F508-V622 HydrophobicContact CE1-CG1 4.05Å; F508-V622 HydrophobicContact CZ-CB 4.41Å; F508-V622 HydrophobicContact CZ-CG1 3.8Å; F508-V622 HydrophobicContact CZ-CG2 3.82Å
509	K	96.1	Very high	96	Very high	140 Å²	140	45.6 Å²	45.6	61%	0.609	25%	0.251	S	S	*	.	H	α-helix	trans	-63.1	-37.3	-172	-67.6	166	179.6	124.4	0	112.7	G506 S513 D537	G506-K509 VanDerWaalsContact O-CE 3.27Å; G506-K509 WeakPolarHBondContact O-CE 3.19Å; G506-K509 PolarHBondContact O-NZ 3.27Å; K509-S513 WeakPolarHBondContact O-CB 3.42Å; K509-S513 PolarHBondContact O-N 3.47Å; K509-D537 VanDerWaalsContact N-CG 3.31Å; K509-D537 PolarHBondContact N-OD1 3.35Å; K509-D537 PolarHBondContact N-OD2 3.11Å
510	I	95.8	Very high	95.9	Very high	49 Å²	49	43.9 Å²	43.9	25%	0.251	24%	0.244	S	C	.	.	H	α-helix	trans	-68.4	-45.8	176.1	-58.2	173.8	0	0	0	109.3	F508 L512 S513 L514 D537 F540 L548	F508-I510 VanDerWaalsContact C-N 3.33Å; F508-I510 PolarHBondContact O-N 3.44Å; I510-L512 PolarHBondContact O-N 3.04Å; I510-S513 PolarHBondContact O-N 3.29Å; I510-L514 HydrophobicContact CG2-CD1 4.07Å; I510-L514 HydrophobicContact CG2-CG 4.45Å; I510-L514 WeakPolarHBondContact O-CB 3.37Å; I510-L514 VanDerWaalsContact O-CG 3.27Å; I510-L514 WeakPolarHBondContact O-CG 3.27Å; I510-L514 PolarHBondContact O-N 3.13Å; I510-D537 VanDerWaalsContact CB-OD1 3.31Å; I510-D537 WeakPolarHBondContact CB-OD1 3.13Å; I510-D537 HydrophobicContact CD1-CB 4.02Å; I510-D537 HydrophobicContact CG1-CB 4.33Å; I510-D537 WeakPolarHBondContact CG1-OD1 3.25Å; I510-D537 PolarHBondContact N-OD1 3.49Å; I510-F540 HydrophobicContact CB-CD2 4.01Å; I510-F540 HydrophobicContact CB-CE2 4.46Å; I510-F540 HydrophobicContact CB-CG 4.31Å; I510-F540 HydrophobicContact CD1-CB 3.87Å; I510-F540 HydrophobicContact CG2-CB 3.97Å; I510-F540 HydrophobicContact CG2-CD1 3.97Å; I510-F540 HydrophobicContact CG2-CD2 3.78Å; I510-F540 HydrophobicContact CG2-CE1 4.39Å; I510-F540 HydrophobicContact CG2-CE2 4.23Å; I510-F540 HydrophobicContact CG2-CG 3.64Å; I510-L548 HydrophobicContact CG2-CD2 4.08Å
511	F	96.9	Very high	95.7	Very high	0 Å²	0	42 Å²	42	0%	0	24%	0.235	C	C	.	.	H	α-helix	trans	-60.7	-45.7	176.8	177.2	-115.2	0	0	0	112.2	L502 F508 L514 M515 L524 A534 P535 F540 L562 F566	L502-F511 HydrophobicContact CD1-CD1 4.26Å; L502-F511 HydrophobicContact CD1-CE1 3.99Å; F508-F511 PolarHBondContact O-N 2.78Å; F511-L514 PolarHBondContact O-N 3.38Å; F511-M515 HydrophobicContact CD1-CG 4.5Å; F511-M515 HydrophobicContact CD2-CG 4.28Å; F511-M515 HydrophobicContact CE1-CG 4.16Å; F511-M515 HydrophobicContact CE2-CG 3.94Å; F511-M515 HydrophobicContact CE2-SD 4.18Å; F511-M515 HydrophobicContact CZ-CG 3.88Å; F511-M515 HydrophobicContact CZ-SD 4.09Å; F511-M515 WeakPolarHBondContact O-CB 3.42Å; F511-M515 VanDerWaalsContact O-CG 3.3Å; F511-M515 WeakPolarHBondContact O-CG 3.48Å; F511-M515 PolarHBondContact O-N 3.26Å; F511-L524 HydrophobicContact CE1-CD1 4.47Å; F511-A534 HydrophobicContact CE1-CB 4.28Å; F511-P535 HydrophobicContact CB-CG 4.27Å; F511-P535 VanDerWaalsContact CD2-CD 3.49Å; F511-P535 HydrophobicContact CD2-CG 3.49Å; F511-P535 VanDerWaalsContact CD2-CG 3.49Å; F511-P535 HydrophobicContact CE2-CG 4.01Å; F511-P535 HydrophobicContact CG-CG 3.99Å; F511-F540 HydrophobicContact CB-CE2 4.31Å; F511-L562 HydrophobicContact CD2-CD2 3.92Å; F511-L562 HydrophobicContact CE2-CD2 3.7Å; F511-F566 HydrophobicContact CZ-CE2 4.13Å; F511-F566 HydrophobicContact CZ-CZ 4.21Å
512	L	97.4	Very high	95.5	Very high	17 Å²	17	42 Å²	42	9%	0.089	24%	0.235	C	C	.	.	H	α-helix	trans	-63	-44.1	176.9	-67.9	173.1	0	0	0	111.8	F499 L502 D503 F508 I510 L514 M515 E516 L524	F499-L512 HydrophobicContact CD2-CD2 3.97Å; F499-L512 HydrophobicContact CE2-CD2 4.06Å; L502-L512 HydrophobicContact CB-CD1 4.29Å; L502-L512 HydrophobicContact CB-CD2 4.21Å; L502-L512 HydrophobicContact CD1-CD2 4.33Å; D503-L512 HydrophobicContact CB-CD1 4.2Å; F508-L512 WeakPolarHBondContact O-CG 3.35Å; F508-L512 PolarHBondContact O-N 3.18Å; I510-L512 PolarHBondContact O-N 3.04Å; L512-L514 VanDerWaalsContact C-N 3.32Å; L512-L514 PolarHBondContact O-N 3.01Å; L512-M515 WeakPolarHBondContact O-CB 3.44Å; L512-M515 PolarHBondContact O-N 2.88Å; L512-E516 PolarHBondContact O-N 3.38Å; L512-L524 HydrophobicContact CD2-CD1 3.63Å
513	S	95.9	Very high	95.3	Very high	38 Å²	38	42 Å²	42	27%	0.266	24%	0.236	S	C	.	.	H	α-helix	trans	-62.9	-35.2	175	-177.6	0	0	0	0	113	K509 I510 T517	K509-S513 WeakPolarHBondContact O-CB 3.42Å; K509-S513 PolarHBondContact O-N 3.47Å; I510-S513 PolarHBondContact O-N 3.29Å; S513-T517 WeakPolarHBondContact O-CB 3.48Å; S513-T517 PolarHBondContact O-N 3.17Å; S513-T517 PolarHBondContact O-OG1 3.46Å
514	L	96.6	Very high	95.2	Very high	4 Å²	4	37.3 Å²	37.3	2%	0.021	21%	0.21	C	C	.	.	H	α-helix	trans	-71.2	-37.9	174.1	-70.4	174.9	0	0	0	111.9	I510 F511 L512 T517 A518 F540 K552 L558 L562	I510-L514 HydrophobicContact CG2-CD1 4.07Å; I510-L514 HydrophobicContact CG2-CG 4.45Å; I510-L514 WeakPolarHBondContact O-CB 3.37Å; I510-L514 VanDerWaalsContact O-CG 3.27Å; I510-L514 WeakPolarHBondContact O-CG 3.27Å; I510-L514 PolarHBondContact O-N 3.13Å; F511-L514 PolarHBondContact O-N 3.38Å; L512-L514 VanDerWaalsContact C-N 3.32Å; L512-L514 PolarHBondContact O-N 3.01Å; L514-T517 PolarHBondContact O-N 3.12Å; L514-A518 VanDerWaalsContact O-CB 3.32Å; L514-A518 WeakPolarHBondContact O-CB 3.4Å; L514-A518 PolarHBondContact O-N 3.5Å; L514-F540 HydrophobicContact CD1-CD1 4.19Å; L514-F540 HydrophobicContact CD1-CE1 3.52Å; L514-F540 HydrophobicContact CD1-CZ 3.93Å; L514-K552 HydrophobicContact CD2-CG 3.86Å; L514-L558 HydrophobicContact CB-CD1 4.29Å; L514-L558 HydrophobicContact CD2-CD1 4.01Å; L514-L558 HydrophobicContact CD2-CD2 4.1Å; L514-L562 HydrophobicContact CB-CD1 4.26Å; L514-L562 HydrophobicContact CB-CD2 4.34Å; L514-L562 WeakPolarHBondContact O-CD1 3.48Å
515	M	96.6	Very high	95.1	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-64.7	-40.3	173.6	-73.6	-70.6	-68.6	0	0	112.4	F511 L512 G519 L520 E521 L523 L524 L562 F566	F511-M515 HydrophobicContact CD1-CG 4.5Å; F511-M515 HydrophobicContact CD2-CG 4.28Å; F511-M515 HydrophobicContact CE1-CG 4.16Å; F511-M515 HydrophobicContact CE2-CG 3.94Å; F511-M515 HydrophobicContact CE2-SD 4.18Å; F511-M515 HydrophobicContact CZ-CG 3.88Å; F511-M515 HydrophobicContact CZ-SD 4.09Å; F511-M515 WeakPolarHBondContact O-CB 3.42Å; F511-M515 VanDerWaalsContact O-CG 3.3Å; F511-M515 WeakPolarHBondContact O-CG 3.48Å; F511-M515 PolarHBondContact O-N 3.26Å; L512-M515 WeakPolarHBondContact O-CB 3.44Å; L512-M515 PolarHBondContact O-N 2.88Å; M515-G519 PolarHBondContact O-N 3.34Å; M515-L520 HydrophobicContact CE-CB 3.56Å; M515-L520 WeakPolarHBondContact CE-O 3.42Å; M515-L520 PolarHBondContact O-N 3.29Å; M515-L520 HydrophobicContact SD-CB 3.91Å; M515-L520 HydrophobicContact SD-CD1 4.09Å; M515-E521 PolarHBondContact O-N 3.34Å; M515-L523 HydrophobicContact CE-CB 4.48Å; M515-L524 HydrophobicContact CB-CD1 4.45Å; M515-L524 HydrophobicContact CE-CD1 4.05Å; M515-L524 HydrophobicContact CE-CG 3.98Å; M515-L524 HydrophobicContact CG-CD1 4.28Å; M515-L562 HydrophobicContact CG-CD1 4.46Å; M515-L562 HydrophobicContact CG-CD2 4.4Å; M515-L562 HydrophobicContact SD-CB 4Å; M515-L562 HydrophobicContact SD-CD1 3.97Å; M515-L562 HydrophobicContact SD-CD2 4.1Å; M515-L562 HydrophobicContact SD-CG 4.25Å; M515-F566 HydrophobicContact CE-CE1 4.37Å; M515-F566 HydrophobicContact CE-CE2 3.73Å; M515-F566 HydrophobicContact CE-CZ 3.41Å; M515-F566 VanDerWaalsContact CE-CZ 3.41Å; M515-F566 HydrophobicContact SD-CE2 3.9Å; M515-F566 HydrophobicContact SD-CZ 4.12Å
516	E	95.4	Very high	94.9	Very high	125 Å²	125	37.1 Å²	37.1	58%	0.584	19%	0.194	S	C	*	.	H	α-helix	trans	-60.5	-53.7	169.8	-174.9	-170.7	-165.2	0	0	110.9	L512 A518 G519	L512-E516 PolarHBondContact O-N 3.38Å; E516-A518 VanDerWaalsContact C-N 3.27Å; E516-A518 PolarHBondContact O-N 3.04Å; E516-G519 WeakPolarHBondContact O-CA 3.49Å; E516-G519 PolarHBondContact O-N 3.29Å
517	T	95.4	Very high	94.6	Very high	52 Å²	52	43.2 Å²	43.2	32%	0.319	22%	0.223	S	C	.	.	H	α-helix	trans	-58	-38.5	-179	-54.6	0	0	0	0	112.3	S513 L514 G519 K552 L558	S513-T517 WeakPolarHBondContact O-CB 3.48Å; S513-T517 PolarHBondContact O-N 3.17Å; S513-T517 PolarHBondContact O-OG1 3.46Å; L514-T517 PolarHBondContact O-N 3.12Å; T517-G519 PolarHBondContact O-N 3.5Å; T517-K552 HydrophobicContact CG2-CB 4.01Å; T517-K552 HydrophobicContact CG2-CG 3.96Å; T517-L558 HydrophobicContact CG2-CD2 4.31Å
518	A	94.8	Very high	94.3	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-71.3	-16.2	176	0	0	0	0	0	113.5	L514 E516 L520 L558 R559 L562	L514-A518 VanDerWaalsContact O-CB 3.32Å; L514-A518 WeakPolarHBondContact O-CB 3.4Å; L514-A518 PolarHBondContact O-N 3.5Å; E516-A518 VanDerWaalsContact C-N 3.27Å; E516-A518 PolarHBondContact O-N 3.04Å; A518-L520 HydrophobicContact CB-CB 4.36Å; A518-L520 HydrophobicContact CB-CD1 3.79Å; A518-L520 HydrophobicContact CB-CG 3.77Å; A518-L558 HydrophobicContact CB-CD2 4.23Å; A518-L558 HydrophobicContact CB-CG 4.26Å; A518-R559 HydrophobicContact CB-CG 4.04Å; A518-R559 VanDerWaalsContact O-CZ 3.31Å; A518-R559 PolarHBondContact O-NE 3.49Å; A518-R559 PolarHBondContact O-NH2 3.04Å; A518-L562 HydrophobicContact CB-CD1 3.61Å
519	G	93.3	Very high	94.1	Very high	22 Å²	22	43 Å²	43	23%	0.227	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	72	35.4	-171.4	0	0	0	0	0	112.8	M515 E516 T517	M515-G519 PolarHBondContact O-N 3.34Å; E516-G519 WeakPolarHBondContact O-CA 3.49Å; E516-G519 PolarHBondContact O-N 3.29Å; T517-G519 PolarHBondContact O-N 3.5Å
520	L	95.2	Very high	94.1	Very high	0 Å²	0	37.9 Å²	37.9	0%	0	21%	0.21	C	C	.	.			trans	-111.2	-6.4	-178.3	-64.4	179.5	0	0	0	113.5	M515 A518 D522 L523 R559 L562 L563 L665 I668	M515-L520 HydrophobicContact CE-CB 3.56Å; M515-L520 WeakPolarHBondContact CE-O 3.42Å; M515-L520 PolarHBondContact O-N 3.29Å; M515-L520 HydrophobicContact SD-CB 3.91Å; M515-L520 HydrophobicContact SD-CD1 4.09Å; A518-L520 HydrophobicContact CB-CB 4.36Å; A518-L520 HydrophobicContact CB-CD1 3.79Å; A518-L520 HydrophobicContact CB-CG 3.77Å; L520-D522 PolarHBondContact O-N 3.24Å; L520-D522 VanDerWaalsContact O-N 3.17Å; L520-L523 WeakPolarHBondContact O-CB 3.49Å; L520-L523 PolarHBondContact O-N 2.91Å; L520-R559 HydrophobicContact CD1-CG 4.42Å; L520-L562 HydrophobicContact CD1-CB 3.77Å; L520-L562 HydrophobicContact CD1-CD1 4.07Å; L520-L563 HydrophobicContact CD1-CD2 4.01Å; L520-L563 HydrophobicContact CD1-CG 3.94Å; L520-L563 HydrophobicContact CD2-CD1 4.36Å; L520-L563 HydrophobicContact CD2-CD2 3.95Å; L520-L563 HydrophobicContact CD2-CG 4.29Å; L520-L665 HydrophobicContact CD2-CD1 4Å; L520-L665 HydrophobicContact CD2-CD2 3.5Å; L520-L665 HydrophobicContact CD2-CG 4.4Å; L520-I668 HydrophobicContact CD2-CD1 3.93Å
521	E	93.6	Very high	94.1	Very high	54 Å²	54	35.6 Å²	35.6	25%	0.252	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-52.8	-38	-175.1	-163.1	-148.6	-152.4	0	0	113.9	F499 M515 L523 L524 K525	F499-E521 HydrophobicContact CD2-CG 4.06Å; F499-E521 HydrophobicContact CE2-CG 3.78Å; F499-E521 WeakPolarHBondContact CE2-OE1 3.37Å; F499-E521 WeakPolarHBondContact CZ-OE1 3.48Å; M515-E521 PolarHBondContact O-N 3.34Å; E521-L523 PolarHBondContact O-N 3Å; E521-L523 VanDerWaalsContact O-N 3.09Å; E521-L524 WeakPolarHBondContact O-CB 3.27Å; E521-L524 PolarHBondContact O-N 2.86Å; E521-K525 VanDerWaalsContact CD-CE 3.42Å; E521-K525 WeakPolarHBondContact OE1-CE 3.44Å; E521-K525 IonicContact OE1-NZ 2.65Å; E521-K525 PolarHBondContact OE1-NZ 3.39Å; E521-K525 WeakPolarHBondContact OE2-CE 3.49Å; E521-K525 IonicContact OE2-NZ 2.67Å; E521-K525 PolarHBondContact OE2-NZ 3.31Å
522	D	91.7	Very high	94.2	Very high	44 Å²	44	35.6 Å²	35.6	24%	0.235	20%	0.198	C	C	.	.	H	α-helix	trans	-48.8	-34.6	171.9	-91.4	-47.2	0	0	0	113.1	L520 L524 K525 Q526 I668	L520-D522 PolarHBondContact O-N 3.24Å; L520-D522 VanDerWaalsContact O-N 3.17Å; D522-L524 PolarHBondContact O-N 2.76Å; D522-K525 PolarHBondContact O-N 2.95Å; D522-Q526 HydrophobicContact CB-CG 4.34Å; D522-Q526 WeakPolarHBondContact O-CB 3.15Å; D522-Q526 WeakPolarHBondContact O-CG 3.49Å; D522-Q526 PolarHBondContact O-N 2.76Å; D522-Q526 PolarHBondContact OD1-NE2 2.71Å; D522-I668 HydrophobicContact CB-CG2 3.41Å; D522-I668 VanDerWaalsContact CB-CG2 3.41Å
523	L	92.6	Very high	94.2	Very high	4 Å²	4	34.8 Å²	34.8	2%	0.021	19%	0.194	C	C	.	.	H	α-helix	trans	-63.2	-25.7	-179.5	-170.1	63.4	0	0	0	112.8	M515 L520 E521 Y530 L563 F566 L587 F667 I668	M515-L523 HydrophobicContact CE-CB 4.48Å; L520-L523 WeakPolarHBondContact O-CB 3.49Å; L520-L523 PolarHBondContact O-N 2.91Å; E521-L523 PolarHBondContact O-N 3Å; E521-L523 VanDerWaalsContact O-N 3.09Å; L523-Y530 HydrophobicContact CD1-CD1 4.48Å; L523-Y530 HydrophobicContact CD1-CD2 4.31Å; L523-Y530 HydrophobicContact CD1-CE1 3.91Å; L523-Y530 HydrophobicContact CD1-CE2 3.7Å; L523-Y530 VanDerWaalsContact CD1-CZ 3.48Å; L523-L563 HydrophobicContact CD2-CD2 3.99Å; L523-F566 HydrophobicContact CD2-CB 4.5Å; L523-F566 HydrophobicContact CD2-CD1 3.48Å; L523-F566 VanDerWaalsContact CD2-CD1 3.48Å; L523-F566 HydrophobicContact CD2-CD2 4.18Å; L523-F566 HydrophobicContact CD2-CE1 3.62Å; L523-F566 HydrophobicContact CD2-CE2 4.3Å; L523-F566 HydrophobicContact CD2-CG 3.8Å; L523-F566 HydrophobicContact CD2-CZ 4.05Å; L523-F566 HydrophobicContact CG-CD1 3.98Å; L523-F566 HydrophobicContact CG-CE1 3.9Å; L523-L587 HydrophobicContact CD1-CD1 4.16Å; L523-L587 HydrophobicContact CD2-CD1 3.79Å; L523-F667 HydrophobicContact CD1-CD2 4.03Å; L523-F667 HydrophobicContact CD1-CE2 3.96Å; L523-F667 HydrophobicContact CD2-CE2 4.29Å; L523-I668 HydrophobicContact CB-CD1 4.22Å
524	L	94.9	Very high	94.3	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-86.9	-19.1	176.2	-64.6	173	0	0	0	112.7	A498 F499 L502 F511 L512 M515 E521 D522 I532 F566 N617	A498-L524 HydrophobicContact CB-CD2 4.02Å; A498-L524 PolarHBondContact N-O 3.25Å; F499-L524 HydrophobicContact CB-CB 3.78Å; F499-L524 HydrophobicContact CD2-CB 4.3Å; F499-L524 HydrophobicContact CD2-CD1 4.43Å; F499-L524 PolarHBondContact N-O 3.36Å; L502-L524 HydrophobicContact CD1-CD1 4.24Å; L502-L524 HydrophobicContact CD1-CD2 4.08Å; F511-L524 HydrophobicContact CE1-CD1 4.47Å; L512-L524 HydrophobicContact CD2-CD1 3.63Å; M515-L524 HydrophobicContact CB-CD1 4.45Å; M515-L524 HydrophobicContact CE-CD1 4.05Å; M515-L524 HydrophobicContact CE-CG 3.98Å; M515-L524 HydrophobicContact CG-CD1 4.28Å; E521-L524 WeakPolarHBondContact O-CB 3.27Å; E521-L524 PolarHBondContact O-N 2.86Å; D522-L524 PolarHBondContact O-N 2.76Å; L524-I532 HydrophobicContact CD2-CD1 4.01Å; L524-I532 HydrophobicContact CD2-CG2 4.38Å; L524-F566 HydrophobicContact CD2-CE1 3.86Å; L524-F566 HydrophobicContact CD2-CZ 3.81Å; L524-F566 HydrophobicContact CG-CZ 4.41Å; L524-N617 VanDerWaalsContact C-ND2 3.3Å; L524-N617 PolarHBondContact O-ND2 3.23Å
525	K	93.9	Very high	94.3	Very high	78 Å²	78	32.8 Å²	32.8	34%	0.339	18%	0.18	S	C	.	.	H	α-helix	trans	-103.9	-34.7	-174.2	-65.2	179	178.9	174.1	0	113.7	F499 E521 D522	F499-K525 HydrophobicContact CB-CG 3.62Å; F499-K525 HydrophobicContact CD1-CD 4.5Å; F499-K525 HydrophobicContact CD1-CG 4.28Å; F499-K525 HydrophobicContact CD2-CD 4.37Å; F499-K525 HydrophobicContact CD2-CG 4.1Å; F499-K525 VanDerWaalsContact CE2-CE 3.41Å; F499-K525 HydrophobicContact CG-CD 4.24Å; F499-K525 VanDerWaalsContact CG-CE 3.42Å; F499-K525 HydrophobicContact CG-CG 3.74Å; E521-K525 VanDerWaalsContact CD-CE 3.42Å; E521-K525 WeakPolarHBondContact OE1-CE 3.44Å; E521-K525 IonicContact OE1-NZ 2.65Å; E521-K525 PolarHBondContact OE1-NZ 3.39Å; E521-K525 WeakPolarHBondContact OE2-CE 3.49Å; E521-K525 IonicContact OE2-NZ 2.67Å; E521-K525 PolarHBondContact OE2-NZ 3.31Å; D522-K525 PolarHBondContact O-N 2.95Å
526	Q	90.1	Very high	94.2	Very high	45 Å²	45	33.1 Å²	33.1	21%	0.21	18%	0.182	C	C	.	.	S	Bend	trans	-80.6	152.5	-173.7	-65	-172.8	14.4	0	0	112.7	D522 G528 N617 K669	D522-Q526 HydrophobicContact CB-CG 4.34Å; D522-Q526 WeakPolarHBondContact O-CB 3.15Å; D522-Q526 WeakPolarHBondContact O-CG 3.49Å; D522-Q526 PolarHBondContact O-N 2.76Å; D522-Q526 PolarHBondContact OD1-NE2 2.71Å; Q526-G528 PolarHBondContact O-N 3.38Å; Q526-N617 WeakPolarHBondContact O-CB 3.42Å; Q526-N617 PolarHBondContact O-ND2 3.1Å; Q526-K669 PolarHBondContact NE2-O 2.84Å
527	N	88.1	Confident	94.3	Very high	144 Å²	144	28.6 Å²	28.6	77%	0.77	16%	0.162	S	C	*	.	S	Bend	trans	-59.7	131.3	175.5	-71.9	-0.9	0	0	0	111.1
528	G	89.1	Confident	94.1	Very high	27 Å²	27	30.3 Å²	30.3	28%	0.278	17%	0.166	S	C	.	.			trans	-171.1	-160.2	-178	0	0	0	0	0	111.7	Q526 N617	Q526-G528 PolarHBondContact O-N 3.38Å; G528-N617 CarbonylContact C-O 3.57Å; G528-N617 VanDerWaalsContact C-O 3.29Å
529	S	92.9	Very high	94	Very high	59 Å²	59	30.7 Å²	30.7	41%	0.413	17%	0.17	S	C	.	.			trans	-150.7	91.8	172.4	-73.3	0	0	0	0	107.9	G569 N617	S529-G569 CarbonylContact O-C 3.56Å; S529-G569 WeakPolarHBondContact O-CA 3.42Å; S529-G569 PolarHBondContact O-N 2.79Å; S529-N617 WeakPolarHBondContact CA-O 3.46Å; S529-N617 PolarHBondContact N-O 2.79Å
530	Y	95.7	Very high	94	Very high	34 Å²	34	30 Å²	30	13%	0.133	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119	147.3	-174.6	-56.4	-66.9	0	0	0	112.2	L523 S567 G569 L587 N617 G618 V619	L523-Y530 HydrophobicContact CD1-CD1 4.48Å; L523-Y530 HydrophobicContact CD1-CD2 4.31Å; L523-Y530 HydrophobicContact CD1-CE1 3.91Å; L523-Y530 HydrophobicContact CD1-CE2 3.7Å; L523-Y530 VanDerWaalsContact CD1-CZ 3.48Å; Y530-S567 CarbonylContact C-O 3.55Å; Y530-S567 WeakPolarHBondContact CA-O 3.35Å; Y530-G569 CarbonylContact C-O 3.58Å; Y530-L587 HydrophobicContact CD1-CD1 4.5Å; Y530-L587 HydrophobicContact CE1-CD1 4.34Å; Y530-N617 PolarHBondContact N-O 3.21Å; Y530-N617 VanDerWaalsContact N-O 3.1Å; Y530-G618 CarbonylContact O-C 3.59Å; Y530-G618 WeakPolarHBondContact O-CA 3.16Å; Y530-V619 PolarHBondContact O-N 3.38Å
531	T	96.9	Very high	93.7	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	117.3	164	-61	0	0	0	0	107.2	F533 F566 S567 G569 I571 V619	T531-F533 HydrophobicContact CG2-CE2 3.87Å; T531-F533 HydrophobicContact CG2-CZ 3.86Å; T531-F566 WeakPolarHBondContact O-CA 3.49Å; T531-S567 PolarHBondContact N-O 2.73Å; T531-S567 PolarHBondContact O-N 2.9Å; T531-G569 PolarHBondContact N-O 2.92Å; T531-G569 PolarHBondContact OG1-O 3.38Å; T531-I571 HydrophobicContact CG2-CB 4.26Å; T531-I571 PolarHBondContact OG1-N 3.36Å; T531-V619 HydrophobicContact CG2-CG1 4.15Å
532	I	97.6	Very high	93.2	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.4	-165.9	-53	170.8	0	0	0	108.7	A498 L524 F566 V619 V620 H621	A498-I532 HydrophobicContact CB-CD1 3.47Å; A498-I532 VanDerWaalsContact CB-CD1 3.47Å; L524-I532 HydrophobicContact CD2-CD1 4.01Å; L524-I532 HydrophobicContact CD2-CG2 4.38Å; I532-F566 HydrophobicContact CB-CD1 4.48Å; I532-F566 HydrophobicContact CB-CE1 4.31Å; I532-F566 HydrophobicContact CD1-CD1 4.44Å; I532-F566 HydrophobicContact CD1-CE1 3.97Å; I532-F566 HydrophobicContact CG1-CD1 3.81Å; I532-F566 HydrophobicContact CG1-CE1 3.73Å; I532-F566 HydrophobicContact CG2-CD1 4.28Å; I532-F566 HydrophobicContact CG2-CE1 3.75Å; I532-F566 HydrophobicContact CG2-CE2 4.5Å; I532-F566 HydrophobicContact CG2-CZ 3.86Å; I532-V619 PolarHBondContact N-O 2.89Å; I532-V620 HydrophobicContact CB-CG2 4.21Å; I532-V620 HydrophobicContact CD1-CG2 4.2Å; I532-V620 CarbonylContact O-C 3.5Å; I532-V620 WeakPolarHBondContact O-CA 3.26Å; I532-H621 PolarHBondContact O-N 3.31Å
533	F	97.8	Very high	93	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	94.6	174	-62.4	-81.3	0	0	0	108.9	T531 P535 H565 L584 L592 L594 V603 I608 H621 V623 L627	T531-F533 HydrophobicContact CG2-CE2 3.87Å; T531-F533 HydrophobicContact CG2-CZ 3.86Å; F533-P535 VanDerWaalsContact O-CD 3.26Å; F533-P535 WeakPolarHBondContact O-CD 3.06Å; F533-H565 HydrophobicContact CB-CB 4.43Å; F533-H565 PolarHBondContact N-O 3.28Å; F533-H565 WeakPolarHBondContact O-CB 3.46Å; F533-H565 PolarHBondContact O-CD2 2.79Å; F533-L584 HydrophobicContact CE2-CD1 4.3Å; F533-L584 HydrophobicContact CZ-CD1 4.17Å; F533-L592 HydrophobicContact CD2-CD1 3.53Å; F533-L592 HydrophobicContact CE2-CD1 3.47Å; F533-L592 VanDerWaalsContact CE2-CD1 3.47Å; F533-L592 HydrophobicContact CZ-CD1 4.44Å; F533-L594 HydrophobicContact CE1-CD1 3.95Å; F533-L594 HydrophobicContact CZ-CD1 4.09Å; F533-L594 HydrophobicContact CZ-CD2 4.27Å; F533-V603 HydrophobicContact CD1-CB 4.12Å; F533-V603 HydrophobicContact CD1-CG1 3.91Å; F533-V603 HydrophobicContact CD1-CG2 4.15Å; F533-V603 HydrophobicContact CE1-CB 3.96Å; F533-V603 HydrophobicContact CE1-CG1 4.22Å; F533-V603 HydrophobicContact CE1-CG2 4.02Å; F533-V603 HydrophobicContact CE2-CG2 4.46Å; F533-V603 HydrophobicContact CG-CG2 4.43Å; F533-V603 HydrophobicContact CZ-CG2 4.18Å; F533-I608 HydrophobicContact CD1-CD1 4.11Å; F533-I608 HydrophobicContact CE1-CD1 3.83Å; F533-H621 CarbonylContact C-O 3.5Å; F533-H621 VanDerWaalsContact CA-O 3.27Å; F533-H621 WeakPolarHBondContact CA-O 3.21Å; F533-H621 HydrophobicContact CD1-CB 3.77Å; F533-H621 HydrophobicContact CE1-CB 3.95Å; F533-H621 AromaticContact CE1-CD2 3.76Å; F533-V623 HydrophobicContact CB-CG1 4.38Å; F533-V623 HydrophobicContact CB-CG2 4.45Å; F533-V623 HydrophobicContact CD1-CG1 4.37Å; F533-L627 HydrophobicContact CB-CD1 3.61Å; F533-L627 HydrophobicContact CD2-CD1 4.44Å; F533-L627 HydrophobicContact CG-CD1 3.96Å
534	A	97.3	Very high	92.8	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	114.7	-173.5	0	0	0	0	0	111.5	L502 F508 F511 V620 H621 V623	L502-A534 HydrophobicContact CD1-CB 4.41Å; L502-A534 HydrophobicContact CD2-CB 3.55Å; F508-A534 HydrophobicContact CD1-CB 4.02Å; F508-A534 HydrophobicContact CE1-CB 3.76Å; F511-A534 HydrophobicContact CE1-CB 4.28Å; A534-V620 HydrophobicContact CB-CG1 3.77Å; A534-H621 PolarHBondContact N-O 3.25Å; A534-V623 PolarHBondContact O-N 3.08Å
535	P	96.6	Very high	92.5	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	127.8	173	30.1	-32.7	0	0	0	110.9	F508 F511 F533 A539 F540 V623 V626	F508-P535 WeakPolarHBondContact CD1-O 3.45Å; F511-P535 HydrophobicContact CB-CG 4.27Å; F511-P535 VanDerWaalsContact CD2-CD 3.49Å; F511-P535 HydrophobicContact CD2-CG 3.49Å; F511-P535 VanDerWaalsContact CD2-CG 3.49Å; F511-P535 HydrophobicContact CE2-CG 4.01Å; F511-P535 HydrophobicContact CG-CG 3.99Å; F533-P535 VanDerWaalsContact O-CD 3.26Å; F533-P535 WeakPolarHBondContact O-CD 3.06Å; P535-A539 HydrophobicContact CB-CB 3.97Å; P535-F540 HydrophobicContact CB-CE2 3.89Å; P535-F540 HydrophobicContact CB-CZ 4.13Å; P535-F540 HydrophobicContact CG-CE2 3.86Å; P535-F540 HydrophobicContact CG-CZ 3.79Å; P535-V623 VanDerWaalsContact CA-O 3.32Å; P535-V623 WeakPolarHBondContact CA-O 3.45Å; P535-V623 HydrophobicContact CB-CG2 4.16Å; P535-V626 HydrophobicContact CB-CG2 4.39Å
536	T	96.3	Very high	92.3	Very high	7 Å²	7	43.3 Å²	43.3	4%	0.043	26%	0.256	C	S	.	.			trans	-65.7	161.9	172.7	55.3	0	0	0	0	111.6	N507 F508 E538 A539 F540 V622 V623	N507-T536 CarbonylContact O-C 3.47Å; N507-T536 VanDerWaalsContact O-CA 3.32Å; N507-T536 WeakPolarHBondContact O-CA 3.46Å; F508-T536 HydrophobicContact CE1-CG2 3.73Å; F508-T536 HydrophobicContact CZ-CG2 3.95Å; T536-E538 WeakPolarHBondContact CB-OE2 3.37Å; T536-E538 PolarHBondContact O-N 2.99Å; T536-E538 PolarHBondContact OG1-OE2 2.99Å; T536-A539 WeakPolarHBondContact O-CB 3.03Å; T536-A539 PolarHBondContact O-N 3.26Å; T536-F540 WeakPolarHBondContact O-CD2 3.28Å; T536-V622 HydrophobicContact CG2-CG1 3.43Å; T536-V622 VanDerWaalsContact CG2-CG1 3.43Å; T536-V623 PolarHBondContact N-O 2.94Å
537	D	95.6	Very high	92.4	Very high	31 Å²	31	42.4 Å²	42.4	17%	0.166	25%	0.253	C	S	.	.	G	3₁₀ helix	trans	-57.2	-31.1	174.2	-67.6	-25.8	0	0	0	111.8	N507 F508 K509 I510 A539 F540 E541	N507-D537 VanDerWaalsContact C-CG 3.49Å; N507-D537 PolarHBondContact O-N 3.5Å; F508-D537 WeakPolarHBondContact CA-OD1 3.39Å; F508-D537 PolarHBondContact N-OD2 3.32Å; K509-D537 VanDerWaalsContact N-CG 3.31Å; K509-D537 PolarHBondContact N-OD1 3.35Å; K509-D537 PolarHBondContact N-OD2 3.11Å; I510-D537 VanDerWaalsContact CB-OD1 3.31Å; I510-D537 WeakPolarHBondContact CB-OD1 3.13Å; I510-D537 HydrophobicContact CD1-CB 4.02Å; I510-D537 HydrophobicContact CG1-CB 4.33Å; I510-D537 WeakPolarHBondContact CG1-OD1 3.25Å; I510-D537 PolarHBondContact N-OD1 3.49Å; D537-A539 PolarHBondContact O-N 3.16Å; D537-F540 PolarHBondContact O-N 3.03Å; D537-E541 PolarHBondContact O-N 3.07Å
538	E	93.1	Very high	92.5	Very high	87 Å²	87	37.2 Å²	37.2	41%	0.407	23%	0.225	S	C	.	.	G	3₁₀ helix	trans	-56.4	-33.3	172.2	-46.7	159	123.6	0	0	112.4	T536 F540 E541 K624	T536-E538 WeakPolarHBondContact CB-OE2 3.37Å; T536-E538 PolarHBondContact O-N 2.99Å; T536-E538 PolarHBondContact OG1-OE2 2.99Å; E538-F540 PolarHBondContact O-N 2.85Å; E538-E541 PolarHBondContact O-N 2.88Å; E538-K624 IonicContact OE1-NZ 2.68Å; E538-K624 PolarHBondContact OE1-NZ 3.46Å; E538-K624 IonicContact OE2-NZ 2.7Å; E538-K624 PolarHBondContact OE2-NZ 3.39Å
539	A	91.9	Very high	92.6	Very high	9 Å²	9	40.8 Å²	40.8	7%	0.074	24%	0.237	C	C	.	.	G	3₁₀ helix	trans	-67.2	-14.3	177.8	0	0	0	0	0	113	P535 T536 D537 V626 L646	P535-A539 HydrophobicContact CB-CB 3.97Å; T536-A539 WeakPolarHBondContact O-CB 3.03Å; T536-A539 PolarHBondContact O-N 3.26Å; D537-A539 PolarHBondContact O-N 3.16Å; A539-V626 HydrophobicContact CB-CG2 4.47Å; A539-L646 VanDerWaalsContact O-CD2 3.25Å; A539-L646 WeakPolarHBondContact O-CD2 3.29Å
540	F	93.7	Very high	92.5	Very high	7 Å²	7	40.1 Å²	40.1	3%	0.031	23%	0.229	C	C	.	.	G	3₁₀ helix	trans	-110	-4.5	180	-56.8	-88.4	0	0	0	113.5	I510 F511 L514 P535 T536 D537 E538 A542 L543 V626 L646	I510-F540 HydrophobicContact CB-CD2 4.01Å; I510-F540 HydrophobicContact CB-CE2 4.46Å; I510-F540 HydrophobicContact CB-CG 4.31Å; I510-F540 HydrophobicContact CD1-CB 3.87Å; I510-F540 HydrophobicContact CG2-CB 3.97Å; I510-F540 HydrophobicContact CG2-CD1 3.97Å; I510-F540 HydrophobicContact CG2-CD2 3.78Å; I510-F540 HydrophobicContact CG2-CE1 4.39Å; I510-F540 HydrophobicContact CG2-CE2 4.23Å; I510-F540 HydrophobicContact CG2-CG 3.64Å; F511-F540 HydrophobicContact CB-CE2 4.31Å; L514-F540 HydrophobicContact CD1-CD1 4.19Å; L514-F540 HydrophobicContact CD1-CE1 3.52Å; L514-F540 HydrophobicContact CD1-CZ 3.93Å; P535-F540 HydrophobicContact CB-CE2 3.89Å; P535-F540 HydrophobicContact CB-CZ 4.13Å; P535-F540 HydrophobicContact CG-CE2 3.86Å; P535-F540 HydrophobicContact CG-CZ 3.79Å; T536-F540 WeakPolarHBondContact O-CD2 3.28Å; D537-F540 PolarHBondContact O-N 3.03Å; E538-F540 PolarHBondContact O-N 2.85Å; F540-A542 PolarHBondContact O-N 2.82Å; F540-L543 WeakPolarHBondContact O-CB 3.36Å; F540-L543 PolarHBondContact O-N 3.47Å; F540-V626 HydrophobicContact CD1-CG2 4.04Å; F540-V626 HydrophobicContact CE1-CG2 3.5Å; F540-V626 VanDerWaalsContact CE1-CG2 3.5Å; F540-V626 HydrophobicContact CE2-CG2 4.39Å; F540-V626 HydrophobicContact CZ-CG2 3.7Å; F540-L646 HydrophobicContact CD1-CD2 3.98Å
541	E	88.4	Confident	92.2	Very high	154 Å²	154	38.8 Å²	38.8	72%	0.72	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-24.4	-178.9	-83.1	174.2	-161.9	0	0	114.8	D537 E538 L543	D537-E541 PolarHBondContact O-N 3.07Å; E538-E541 PolarHBondContact O-N 2.88Å; E541-L543 PolarHBondContact O-N 3.2Å
542	A	82.3	Confident	91.9	Very high	44 Å²	44	41.8 Å²	41.8	36%	0.364	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-1.1	178	0	0	0	0	0	114.1	F540 K645	F540-A542 PolarHBondContact O-N 2.82Å; A542-K645 HydrophobicContact CB-CB 4.18Å
543	L	88.3	Confident	91.6	Very high	20 Å²	20	44.9 Å²	44.9	11%	0.105	27%	0.269	C	S	.	.			trans	-108.6	135.7	-175.9	-60.5	-162.9	0	0	0	112.7	F540 E541 D547 L548 L551 V642 K645 L646	F540-L543 WeakPolarHBondContact O-CB 3.36Å; F540-L543 PolarHBondContact O-N 3.47Å; E541-L543 PolarHBondContact O-N 3.2Å; L543-D547 HydrophobicContact CB-CB 3.86Å; L543-D547 HydrophobicContact CD1-CB 4.28Å; L543-D547 HydrophobicContact CD2-CB 3.92Å; L543-D547 HydrophobicContact CG-CB 4.23Å; L543-L548 HydrophobicContact CB-CD2 4.48Å; L543-L548 HydrophobicContact CB-CG 4.17Å; L543-L548 HydrophobicContact CD1-CD2 3.88Å; L543-L548 HydrophobicContact CD1-CG 4.28Å; L543-L551 HydrophobicContact CD1-CD1 3.55Å; L543-V642 HydrophobicContact CD1-CG1 3.99Å; L543-V642 HydrophobicContact CD2-CG1 3.86Å; L543-K645 HydrophobicContact CD2-CB 3.65Å; L543-K645 HydrophobicContact CD2-CD 3.74Å; L543-K645 HydrophobicContact CD2-CG 4.36Å; L543-L646 HydrophobicContact CD1-CD1 4.12Å; L543-L646 HydrophobicContact CD1-CD2 3.8Å; L543-L646 HydrophobicContact CD1-CG 4.06Å; L543-L646 HydrophobicContact CD2-CD2 4.18Å; L543-L646 HydrophobicContact CD2-CG 4.12Å; L543-L646 HydrophobicContact CG-CD2 3.82Å; L543-L646 HydrophobicContact CG-CG 4.24Å
544	G	89	Confident	91.2	Very high	36 Å²	36	46.3 Å²	46.3	37%	0.371	28%	0.277	S	S	.	.			trans	-80.7	175.4	164.4	0	0	0	0	0	112.5	D546 D547 L548	G544-D546 VanDerWaalsContact C-N 3.33Å; G544-D546 PolarHBondContact O-N 2.81Å; G544-D547 PolarHBondContact N-OD2 3.3Å; G544-D547 WeakPolarHBondContact O-CB 3.43Å; G544-D547 PolarHBondContact O-N 2.84Å; G544-L548 PolarHBondContact O-N 3.41Å; G544-L548 VanDerWaalsContact O-N 3.13Å
545	A	88.6	Confident	90.9	Very high	67 Å²	67	48.6 Å²	48.6	55%	0.554	29%	0.291	S	S	*	.	H	α-helix	trans	-56	-47.6	174.6	0	0	0	0	0	111.6	D547 L548 D549	A545-D547 VanDerWaalsContact C-N 3.26Å; A545-D547 PolarHBondContact O-N 3.22Å; A545-L548 PolarHBondContact O-N 3.31Å; A545-L548 VanDerWaalsContact O-N 3.1Å; A545-D549 PolarHBondContact O-N 3.49Å
546	D	89.8	Confident	90.7	Very high	139 Å²	139	52.8 Å²	52.8	74%	0.743	31%	0.309	S	S	*	.	H	α-helix	trans	-57.4	-36.6	177.9	-53.2	-17.5	0	0	0	112.9	G544 L550	G544-D546 VanDerWaalsContact C-N 3.33Å; G544-D546 PolarHBondContact O-N 2.81Å; D546-L550 WeakPolarHBondContact O-CB 3.46Å; D546-L550 PolarHBondContact O-N 2.61Å
547	D	91.3	Very high	90.5	Very high	26 Å²	26	52.5 Å²	52.5	14%	0.139	31%	0.307	C	S	.	.	H	α-helix	trans	-70.8	-39.3	177.9	-62.8	-57.5	0	0	0	111.7	L543 G544 A545 L550 L551 V642 K645	L543-D547 HydrophobicContact CB-CB 3.86Å; L543-D547 HydrophobicContact CD1-CB 4.28Å; L543-D547 HydrophobicContact CD2-CB 3.92Å; L543-D547 HydrophobicContact CG-CB 4.23Å; G544-D547 PolarHBondContact N-OD2 3.3Å; G544-D547 WeakPolarHBondContact O-CB 3.43Å; G544-D547 PolarHBondContact O-N 2.84Å; A545-D547 VanDerWaalsContact C-N 3.26Å; A545-D547 PolarHBondContact O-N 3.22Å; D547-L550 WeakPolarHBondContact O-CB 3.41Å; D547-L550 PolarHBondContact O-N 3.33Å; D547-L551 PolarHBondContact O-N 3.38Å; D547-L551 VanDerWaalsContact O-N 3.16Å; D547-V642 HydrophobicContact CB-CG1 4.12Å; D547-V642 HydrophobicContact CB-CG2 3.99Å; D547-V642 WeakPolarHBondContact OD1-CG2 3.47Å; D547-K645 IonicContact OD1-NZ 2.78Å; D547-K645 PolarHBondContact OD1-NZ 2.77Å; D547-K645 IonicContact OD2-NZ 2.76Å; D547-K645 PolarHBondContact OD2-NZ 3.26Å
548	L	90.3	Very high	90.5	Very high	35 Å²	35	51.2 Å²	51.2	18%	0.183	30%	0.3	C	S	.	.	H	α-helix	trans	-68.9	-41.5	176.4	-74.5	169.4	0	0	0	111.3	I510 L543 G544 A545 L550 L551 K552	I510-L548 HydrophobicContact CG2-CD2 4.08Å; L543-L548 HydrophobicContact CB-CD2 4.48Å; L543-L548 HydrophobicContact CB-CG 4.17Å; L543-L548 HydrophobicContact CD1-CD2 3.88Å; L543-L548 HydrophobicContact CD1-CG 4.28Å; G544-L548 PolarHBondContact O-N 3.41Å; G544-L548 VanDerWaalsContact O-N 3.13Å; A545-L548 PolarHBondContact O-N 3.31Å; A545-L548 VanDerWaalsContact O-N 3.1Å; L548-L550 VanDerWaalsContact C-N 3.31Å; L548-L550 PolarHBondContact O-N 3.09Å; L548-L551 PolarHBondContact O-N 3.12Å; L548-K552 VanDerWaalsContact O-CG 3.31Å; L548-K552 WeakPolarHBondContact O-CG 3.32Å; L548-K552 PolarHBondContact O-N 2.84Å
549	D	90.6	Very high	90.5	Very high	101 Å²	101	49.1 Å²	49.1	54%	0.54	29%	0.289	S	S	.	.	H	α-helix	trans	-68.7	-31	176	-74.9	-15.6	0	0	0	111.7	A545 K552 G553	A545-D549 PolarHBondContact O-N 3.49Å; D549-K552 PolarHBondContact O-N 2.93Å; D549-G553 PolarHBondContact O-N 2.03Å
550	L	91.1	Very high	90.6	Very high	46 Å²	46	48.9 Å²	48.9	24%	0.241	29%	0.286	C	S	.	.	H	α-helix	trans	-62.8	-42.3	170	-160.3	81.3	0	0	0	112.4	D546 D547 L548 D554 D638 V642	D546-L550 WeakPolarHBondContact O-CB 3.46Å; D546-L550 PolarHBondContact O-N 2.61Å; D547-L550 WeakPolarHBondContact O-CB 3.41Å; D547-L550 PolarHBondContact O-N 3.33Å; L548-L550 VanDerWaalsContact C-N 3.31Å; L548-L550 PolarHBondContact O-N 3.09Å; L550-D554 PolarHBondContact O-N 2.04Å; L550-D638 HydrophobicContact CD2-CB 3.81Å; L550-V642 HydrophobicContact CD2-CG2 3.62Å
551	L	89.8	Confident	90.7	Very high	5 Å²	5	48.9 Å²	48.9	3%	0.026	29%	0.287	C	S	.	.	H	α-helix	trans	-66.5	-42.9	175.1	-74.6	166.8	0	0	0	111.9	L543 D547 L548 G553 D554 I561 L639 V642 L643 L646	L543-L551 HydrophobicContact CD1-CD1 3.55Å; D547-L551 PolarHBondContact O-N 3.38Å; D547-L551 VanDerWaalsContact O-N 3.16Å; L548-L551 PolarHBondContact O-N 3.12Å; L551-G553 VanDerWaalsContact C-N 3.32Å; L551-G553 PolarHBondContact O-N 2.97Å; L551-D554 PolarHBondContact O-N 3.29Å; L551-I561 HydrophobicContact CD2-CD1 4.2Å; L551-L639 HydrophobicContact CD2-CD1 3.72Å; L551-V642 HydrophobicContact CD1-CG1 3.68Å; L551-V642 HydrophobicContact CD2-CG1 4.13Å; L551-V642 HydrophobicContact CG-CG1 3.76Å; L551-L643 HydrophobicContact CD2-CD2 4.43Å; L551-L646 HydrophobicContact CD1-CD1 4.15Å
552	K	91.8	Very high	91.1	Very high	63 Å²	63	41.8 Å²	41.8	27%	0.274	25%	0.253	S	S	.	.	H	α-helix	trans	-64.9	-35.5	176.8	-71.5	177.5	173.6	-177.6	0	112.2	L514 T517 L548 D549 D554 V555	L514-K552 HydrophobicContact CD2-CG 3.86Å; T517-K552 HydrophobicContact CG2-CB 4.01Å; T517-K552 HydrophobicContact CG2-CG 3.96Å; L548-K552 VanDerWaalsContact O-CG 3.31Å; L548-K552 WeakPolarHBondContact O-CG 3.32Å; L548-K552 PolarHBondContact O-N 2.84Å; D549-K552 PolarHBondContact O-N 2.93Å; K552-D554 VanDerWaalsContact C-N 3.32Å; K552-D554 PolarHBondContact O-N 3.43Å; K552-V555 WeakPolarHBondContact O-CG2 3.36Å
553	G	90.3	Very high	91.7	Very high	65 Å²	65	39.7 Å²	39.7	67%	0.67	24%	0.236	S	C	*	.	H	α-helix	trans	-66.1	-28.1	177.3	0	0	0	0	0	114.4	D549 L551	D549-G553 PolarHBondContact O-N 2.03Å; L551-G553 VanDerWaalsContact C-N 3.32Å; L551-G553 PolarHBondContact O-N 2.97Å
554	D	90.4	Very high	92.1	Very high	30 Å²	30	39 Å²	39	16%	0.16	23%	0.232	C	C	.	.			trans	-102.6	72.3	175.9	-156.8	-41.8	0	0	0	111.5	L550 L551 K552 K556 A557 L558 R636	L550-D554 PolarHBondContact O-N 2.04Å; L551-D554 PolarHBondContact O-N 3.29Å; K552-D554 VanDerWaalsContact C-N 3.32Å; K552-D554 PolarHBondContact O-N 3.43Å; D554-K556 PolarHBondContact O-N 3.05Å; D554-K556 PolarHBondContact OD1-N 2.74Å; D554-A557 HydrophobicContact CB-CB 3.89Å; D554-A557 WeakPolarHBondContact O-CB 3.46Å; D554-A557 PolarHBondContact O-N 2.89Å; D554-A557 WeakPolarHBondContact OD1-CB 3.4Å; D554-A557 PolarHBondContact OD1-N 3.13Å; D554-L558 WeakPolarHBondContact O-CB 3.12Å; D554-L558 PolarHBondContact O-N 3Å; D554-R636 IonicContact OD2-CZ 3.31Å; D554-R636 IonicContact OD2-NH1 2.79Å; D554-R636 PolarHBondContact OD2-NH1 3.42Å
555	V	91.2	Very high	92.5	Very high	49 Å²	49	37.3 Å²	37.3	30%	0.297	22%	0.215	S	C	.	.	H	α-helix	trans	-55.7	-25	-179.3	-176.9	0	0	0	0	112.7	K552 R559	K552-V555 WeakPolarHBondContact O-CG2 3.36Å; V555-R559 HydrophobicContact CG1-CG 4.48Å; V555-R559 WeakPolarHBondContact O-CB 3.2Å; V555-R559 VanDerWaalsContact O-CG 3.3Å; V555-R559 WeakPolarHBondContact O-CG 3.46Å; V555-R559 PolarHBondContact O-N 2.86Å
556	K	92.1	Very high	92.9	Very high	87 Å²	87	34.1 Å²	34.1	38%	0.378	19%	0.188	S	C	.	.	H	α-helix	trans	-76.1	-44.4	176.4	-66.2	-168.4	175.3	-165.1	0	111.8	D554 N560 E662	D554-K556 PolarHBondContact O-N 3.05Å; D554-K556 PolarHBondContact OD1-N 2.74Å; K556-N560 PolarHBondContact O-N 2.92Å; K556-N560 PolarHBondContact O-ND2 3.03Å; K556-E662 HydrophobicContact CD-CB 4.33Å; K556-E662 VanDerWaalsContact CE-CD 3.47Å; K556-E662 WeakPolarHBondContact CE-OE2 3.45Å; K556-E662 IonicContact NZ-OE2 2.68Å; K556-E662 PolarHBondContact NZ-OE2 3.28Å
557	A	91.9	Very high	93.2	Very high	1 Å²	1	27.7 Å²	27.7	1%	0.008	15%	0.154	C	C	.	.	H	α-helix	trans	-60.1	-49.8	169	0	0	0	0	0	111.1	D554 R559 N560 I561 L639 Y660	D554-A557 HydrophobicContact CB-CB 3.89Å; D554-A557 WeakPolarHBondContact O-CB 3.46Å; D554-A557 PolarHBondContact O-N 2.89Å; D554-A557 WeakPolarHBondContact OD1-CB 3.4Å; D554-A557 PolarHBondContact OD1-N 3.13Å; A557-R559 PolarHBondContact O-N 3.23Å; A557-N560 WeakPolarHBondContact O-CB 3.48Å; A557-N560 PolarHBondContact O-N 3.02Å; A557-I561 HydrophobicContact CB-CD1 4.49Å; A557-I561 WeakPolarHBondContact O-CD1 3.3Å; A557-I561 WeakPolarHBondContact O-CG1 3.41Å; A557-I561 PolarHBondContact O-N 2.93Å; A557-L639 HydrophobicContact CB-CD2 3.72Å; A557-Y660 HydrophobicContact CB-CD2 3.48Å; A557-Y660 VanDerWaalsContact CB-CD2 3.48Å; A557-Y660 HydrophobicContact CB-CE2 3.42Å; A557-Y660 VanDerWaalsContact CB-CE2 3.42Å; A557-Y660 HydrophobicContact CB-CG 4.17Å
558	L	93.9	Very high	93.3	Very high	4 Å²	4	31.9 Å²	31.9	2%	0.021	17%	0.173	C	C	.	.	H	α-helix	trans	-59.3	-44.5	-176.7	-174.5	60	0	0	0	112.3	L514 T517 A518 D554 N560 I561 L562	L514-L558 HydrophobicContact CB-CD1 4.29Å; L514-L558 HydrophobicContact CD2-CD1 4.01Å; L514-L558 HydrophobicContact CD2-CD2 4.1Å; T517-L558 HydrophobicContact CG2-CD2 4.31Å; A518-L558 HydrophobicContact CB-CD2 4.23Å; A518-L558 HydrophobicContact CB-CG 4.26Å; D554-L558 WeakPolarHBondContact O-CB 3.12Å; D554-L558 PolarHBondContact O-N 3Å; L558-N560 VanDerWaalsContact C-N 3.34Å; L558-N560 PolarHBondContact O-N 3.24Å; L558-I561 PolarHBondContact O-N 3.45Å; L558-L562 HydrophobicContact CD1-CD1 3.85Å; L558-L562 HydrophobicContact CD1-CG 4.03Å; L558-L562 HydrophobicContact CD2-CD1 4.46Å; L558-L562 HydrophobicContact CG-CD1 3.77Å; L558-L562 HydrophobicContact CG-CG 4.36Å; L558-L562 WeakPolarHBondContact O-CB 3.41Å; L558-L562 VanDerWaalsContact O-CG 3.32Å; L558-L562 WeakPolarHBondContact O-CG 3.47Å; L558-L562 PolarHBondContact O-N 3.09Å
559	R	94.9	Very high	93.4	Very high	44 Å²	44	31.7 Å²	31.7	17%	0.166	18%	0.179	C	C	.	.	H	α-helix	trans	-60.5	-40.5	173.3	-79.5	178.2	-176.9	151.2	12.4	112.9	A518 L520 V555 A557 L563	A518-R559 HydrophobicContact CB-CG 4.04Å; A518-R559 VanDerWaalsContact O-CZ 3.31Å; A518-R559 PolarHBondContact O-NE 3.49Å; A518-R559 PolarHBondContact O-NH2 3.04Å; L520-R559 HydrophobicContact CD1-CG 4.42Å; V555-R559 HydrophobicContact CG1-CG 4.48Å; V555-R559 WeakPolarHBondContact O-CB 3.2Å; V555-R559 VanDerWaalsContact O-CG 3.3Å; V555-R559 WeakPolarHBondContact O-CG 3.46Å; V555-R559 PolarHBondContact O-N 2.86Å; A557-R559 PolarHBondContact O-N 3.23Å; R559-L563 WeakPolarHBondContact O-CB 3.42Å; R559-L563 VanDerWaalsContact O-CG 3.25Å; R559-L563 WeakPolarHBondContact O-CG 3.34Å; R559-L563 PolarHBondContact O-N 3.44Å
560	N	94.1	Very high	93.6	Very high	4 Å²	4	27.4 Å²	27.4	2%	0.021	16%	0.156	C	C	.	.	H	α-helix	trans	-65.6	-44.5	177.3	-85.5	-99.4	0	0	0	111.2	K556 A557 L558 Y564 Q588 Y660 A661	K556-N560 PolarHBondContact O-N 2.92Å; K556-N560 PolarHBondContact O-ND2 3.03Å; A557-N560 WeakPolarHBondContact O-CB 3.48Å; A557-N560 PolarHBondContact O-N 3.02Å; L558-N560 VanDerWaalsContact C-N 3.34Å; L558-N560 PolarHBondContact O-N 3.24Å; N560-Y564 PolarHBondContact O-N 3.33Å; N560-Q588 HydrophobicContact CB-CG 4.2Å; N560-Q588 WeakPolarHBondContact O-CG 3.39Å; N560-Q588 PolarHBondContact OD1-NE2 3.4Å; N560-Y660 HydrophobicContact CB-CD1 3.82Å; N560-Y660 HydrophobicContact CB-CE1 4.36Å; N560-A661 PolarHBondContact ND2-O 2.56Å
561	I	94.4	Very high	93.8	Very high	7 Å²	7	26.5 Å²	26.5	4%	0.036	15%	0.152	C	C	.	.	H	α-helix	trans	-61.9	-52.9	178	-62.7	156.8	0	0	0	110.2	L551 A557 L558 Y564 H565 V626 Y628 L643	L551-I561 HydrophobicContact CD2-CD1 4.2Å; A557-I561 HydrophobicContact CB-CD1 4.49Å; A557-I561 WeakPolarHBondContact O-CD1 3.3Å; A557-I561 WeakPolarHBondContact O-CG1 3.41Å; A557-I561 PolarHBondContact O-N 2.93Å; L558-I561 PolarHBondContact O-N 3.45Å; I561-Y564 WeakPolarHBondContact O-CB 3.46Å; I561-Y564 PolarHBondContact O-N 3.25Å; I561-H565 PolarHBondContact O-CE1 2.93Å; I561-H565 PolarHBondContact O-ND1 2.94Å; I561-V626 HydrophobicContact CG2-CG1 3.66Å; I561-Y628 HydrophobicContact CG1-CD2 4.08Å; I561-Y628 HydrophobicContact CG1-CE2 4.08Å; I561-L643 HydrophobicContact CD1-CD2 3.79Å; I561-L643 HydrophobicContact CG1-CD2 4.47Å
562	L	96.4	Very high	94	Very high	4 Å²	4	26.4 Å²	26.4	2%	0.021	15%	0.151	C	C	.	.	H	α-helix	trans	-64.2	-46.3	-177.4	-67.4	170.9	0	0	0	112.1	F511 L514 M515 A518 L520 L558 Y564 H565 F566	F511-L562 HydrophobicContact CD2-CD2 3.92Å; F511-L562 HydrophobicContact CE2-CD2 3.7Å; L514-L562 HydrophobicContact CB-CD1 4.26Å; L514-L562 HydrophobicContact CB-CD2 4.34Å; L514-L562 WeakPolarHBondContact O-CD1 3.48Å; M515-L562 HydrophobicContact CG-CD1 4.46Å; M515-L562 HydrophobicContact CG-CD2 4.4Å; M515-L562 HydrophobicContact SD-CB 4Å; M515-L562 HydrophobicContact SD-CD1 3.97Å; M515-L562 HydrophobicContact SD-CD2 4.1Å; M515-L562 HydrophobicContact SD-CG 4.25Å; A518-L562 HydrophobicContact CB-CD1 3.61Å; L520-L562 HydrophobicContact CD1-CB 3.77Å; L520-L562 HydrophobicContact CD1-CD1 4.07Å; L558-L562 HydrophobicContact CD1-CD1 3.85Å; L558-L562 HydrophobicContact CD1-CG 4.03Å; L558-L562 HydrophobicContact CD2-CD1 4.46Å; L558-L562 HydrophobicContact CG-CD1 3.77Å; L558-L562 HydrophobicContact CG-CG 4.36Å; L558-L562 WeakPolarHBondContact O-CB 3.41Å; L558-L562 VanDerWaalsContact O-CG 3.32Å; L558-L562 WeakPolarHBondContact O-CG 3.47Å; L558-L562 PolarHBondContact O-N 3.09Å; L562-Y564 PolarHBondContact O-N 3.29Å; L562-Y564 VanDerWaalsContact O-N 3.13Å; L562-H565 VanDerWaalsContact O-CB 3.31Å; L562-H565 WeakPolarHBondContact O-CB 3.4Å; L562-H565 PolarHBondContact O-N 3.01Å; L562-F566 WeakPolarHBondContact O-CD2 3.29Å
563	L	96.3	Very high	94	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-68	-12.2	179.5	-67.6	173.7	0	0	0	113.9	L520 L523 R559 F566 L587 Q588 I663 L665 F667	L520-L563 HydrophobicContact CD1-CD2 4.01Å; L520-L563 HydrophobicContact CD1-CG 3.94Å; L520-L563 HydrophobicContact CD2-CD1 4.36Å; L520-L563 HydrophobicContact CD2-CD2 3.95Å; L520-L563 HydrophobicContact CD2-CG 4.29Å; L523-L563 HydrophobicContact CD2-CD2 3.99Å; R559-L563 WeakPolarHBondContact O-CB 3.42Å; R559-L563 VanDerWaalsContact O-CG 3.25Å; R559-L563 WeakPolarHBondContact O-CG 3.34Å; R559-L563 PolarHBondContact O-N 3.44Å; L563-F566 PolarHBondContact O-N 3.4Å; L563-L587 HydrophobicContact CB-CB 4.13Å; L563-L587 HydrophobicContact CD2-CB 4Å; L563-L587 HydrophobicContact CD2-CD1 4.1Å; L563-L587 PolarHBondContact O-N 2.88Å; L563-Q588 HydrophobicContact CB-CB 4.13Å; L563-Q588 PolarHBondContact O-N 2.95Å; L563-Q588 VanDerWaalsContact O-N 3.14Å; L563-I663 HydrophobicContact CD1-CB 4.16Å; L563-I663 HydrophobicContact CD1-CD1 3.87Å; L563-I663 HydrophobicContact CD1-CG2 3.79Å; L563-L665 HydrophobicContact CD1-CD2 4.25Å; L563-F667 HydrophobicContact CD1-CZ 4.11Å; L563-F667 HydrophobicContact CD2-CE2 4.22Å; L563-F667 HydrophobicContact CD2-CZ 3.84Å
564	Y	96.6	Very high	93.9	Very high	6 Å²	6	23.6 Å²	23.6	2%	0.024	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-13.1	169.5	-169.8	-116.8	0	0	0	112.7	N560 I561 L562 F566 T586 Q588 K590 P591 L592 N604 L627 Y628 P629	N560-Y564 PolarHBondContact O-N 3.33Å; I561-Y564 WeakPolarHBondContact O-CB 3.46Å; I561-Y564 PolarHBondContact O-N 3.25Å; L562-Y564 PolarHBondContact O-N 3.29Å; L562-Y564 VanDerWaalsContact O-N 3.13Å; Y564-F566 VanDerWaalsContact C-N 3.35Å; Y564-T586 HydrophobicContact CD2-CG2 3.64Å; Y564-T586 HydrophobicContact CE2-CG2 3.91Å; Y564-T586 HydrophobicContact CG-CG2 4.39Å; Y564-T586 VanDerWaalsContact O-CG2 3.3Å; Y564-T586 WeakPolarHBondContact O-CG2 3.27Å; Y564-Q588 HydrophobicContact CD2-CB 4.4Å; Y564-K590 HydrophobicContact CD2-CB 4.17Å; Y564-K590 HydrophobicContact CE2-CB 3.76Å; Y564-P591 WeakPolarHBondContact CE2-O 3.45Å; Y564-P591 PolarHBondContact OH-O 2.87Å; Y564-L592 HydrophobicContact CD1-CD2 4.05Å; Y564-L592 HydrophobicContact CE1-CD2 3.43Å; Y564-L592 VanDerWaalsContact CE1-CD2 3.43Å; Y564-L592 HydrophobicContact CE1-CG 4.38Å; Y564-L592 HydrophobicContact CE2-CD2 4.06Å; Y564-L592 HydrophobicContact CE2-CG 4.17Å; Y564-L592 VanDerWaalsContact CZ-CD2 3.43Å; Y564-L592 WeakPolarHBondContact O-CD1 3.43Å; Y564-N604 PolarHBondContact OH-ND2 3.45Å; Y564-L627 HydrophobicContact CD1-CB 4.06Å; Y564-L627 HydrophobicContact CE1-CB 4.28Å; Y564-Y628 WeakPolarHBondContact CE1-O 3.26Å; Y564-P629 HydrophobicContact CD1-CG 3.98Å; Y564-P629 HydrophobicContact CD2-CB 4.38Å; Y564-P629 HydrophobicContact CD2-CG 3.69Å; Y564-P629 HydrophobicContact CE1-CB 4.27Å; Y564-P629 HydrophobicContact CE1-CG 4.03Å; Y564-P629 HydrophobicContact CE2-CB 3.95Å; Y564-P629 HydrophobicContact CE2-CG 3.78Å; Y564-P629 HydrophobicContact CG-CG 3.81Å
565	H	97.3	Very high	93.9	Very high	1 Å²	1	22.3 Å²	22.3	1%	0.005	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	-1.5	174.2	-62	70.7	0	0	0	113.2	F533 I561 L562 L627	F533-H565 HydrophobicContact CB-CB 4.43Å; F533-H565 PolarHBondContact N-O 3.28Å; F533-H565 WeakPolarHBondContact O-CB 3.46Å; F533-H565 PolarHBondContact O-CD2 2.79Å; I561-H565 PolarHBondContact O-CE1 2.93Å; I561-H565 PolarHBondContact O-ND1 2.94Å; L562-H565 VanDerWaalsContact O-CB 3.31Å; L562-H565 WeakPolarHBondContact O-CB 3.4Å; L562-H565 PolarHBondContact O-N 3.01Å; H565-L627 PolarHBondContact CE1-N 2.84Å; H565-L627 PolarHBondContact CE1-O 3Å; H565-L627 PolarHBondContact NE2-N 3.03Å
566	F	96.8	Very high	93.9	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	130.9	-177.3	-69.4	-102.5	0	0	0	111	F511 M515 L523 L524 T531 I532 L562 L563 Y564 T586 L587	F511-F566 HydrophobicContact CZ-CE2 4.13Å; F511-F566 HydrophobicContact CZ-CZ 4.21Å; M515-F566 HydrophobicContact CE-CE1 4.37Å; M515-F566 HydrophobicContact CE-CE2 3.73Å; M515-F566 HydrophobicContact CE-CZ 3.41Å; M515-F566 VanDerWaalsContact CE-CZ 3.41Å; M515-F566 HydrophobicContact SD-CE2 3.9Å; M515-F566 HydrophobicContact SD-CZ 4.12Å; L523-F566 HydrophobicContact CD2-CB 4.5Å; L523-F566 HydrophobicContact CD2-CD1 3.48Å; L523-F566 VanDerWaalsContact CD2-CD1 3.48Å; L523-F566 HydrophobicContact CD2-CD2 4.18Å; L523-F566 HydrophobicContact CD2-CE1 3.62Å; L523-F566 HydrophobicContact CD2-CE2 4.3Å; L523-F566 HydrophobicContact CD2-CG 3.8Å; L523-F566 HydrophobicContact CD2-CZ 4.05Å; L523-F566 HydrophobicContact CG-CD1 3.98Å; L523-F566 HydrophobicContact CG-CE1 3.9Å; L524-F566 HydrophobicContact CD2-CE1 3.86Å; L524-F566 HydrophobicContact CD2-CZ 3.81Å; L524-F566 HydrophobicContact CG-CZ 4.41Å; T531-F566 WeakPolarHBondContact O-CA 3.49Å; I532-F566 HydrophobicContact CB-CD1 4.48Å; I532-F566 HydrophobicContact CB-CE1 4.31Å; I532-F566 HydrophobicContact CD1-CD1 4.44Å; I532-F566 HydrophobicContact CD1-CE1 3.97Å; I532-F566 HydrophobicContact CG1-CD1 3.81Å; I532-F566 HydrophobicContact CG1-CE1 3.73Å; I532-F566 HydrophobicContact CG2-CD1 4.28Å; I532-F566 HydrophobicContact CG2-CE1 3.75Å; I532-F566 HydrophobicContact CG2-CE2 4.5Å; I532-F566 HydrophobicContact CG2-CZ 3.86Å; L562-F566 WeakPolarHBondContact O-CD2 3.29Å; L563-F566 PolarHBondContact O-N 3.4Å; Y564-F566 VanDerWaalsContact C-N 3.35Å; F566-T586 CarbonylContact O-C 3.44Å; F566-T586 WeakPolarHBondContact O-CA 3.31Å; F566-T586 VanDerWaalsContact O-CB 3.28Å; F566-T586 WeakPolarHBondContact O-CB 3.35Å; F566-L587 HydrophobicContact CB-CB 4.41Å; F566-L587 HydrophobicContact CB-CD1 3.64Å; F566-L587 HydrophobicContact CB-CG 3.95Å; F566-L587 HydrophobicContact CG-CD1 4.35Å; F566-L587 PolarHBondContact O-N 2.69Å
567	S	96	Very high	93.8	Very high	4 Å²	4	20.8 Å²	20.8	3%	0.028	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	150	166.5	-178.8	0	0	0	0	110.1	Y530 T531 K585	Y530-S567 CarbonylContact C-O 3.55Å; Y530-S567 WeakPolarHBondContact CA-O 3.35Å; T531-S567 PolarHBondContact N-O 2.73Å; T531-S567 PolarHBondContact O-N 2.9Å; S567-K585 PolarHBondContact OG-O 3.06Å
568	E	92.8	Very high	93.6	Very high	113 Å²	113	24.1 Å²	24.1	53%	0.528	15%	0.148	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	149.7	165.8	-62.6	177.9	150.7	0	0	110.1	L587	E568-L587 HydrophobicContact CG-CD2 3.69Å
569	G	92.8	Very high	93.2	Very high	31 Å²	31	30.6 Å²	30.6	32%	0.32	18%	0.175	S	C	.	.	S	Bend	trans	86.2	157.5	-173.7	0	0	0	0	0	113.3	S529 Y530 T531	S529-G569 CarbonylContact O-C 3.56Å; S529-G569 WeakPolarHBondContact O-CA 3.42Å; S529-G569 PolarHBondContact O-N 2.79Å; Y530-G569 CarbonylContact C-O 3.58Å; T531-G569 PolarHBondContact N-O 2.92Å; T531-G569 PolarHBondContact OG1-O 3.38Å
570	I	95.1	Very high	93	Very high	12 Å²	12	31.1 Å²	31.1	6%	0.062	18%	0.183	C	C	.	.			trans	-99.8	120.5	173.4	-70.5	169.2	0	0	0	108.5	F459 Y461 I572 M614 V619	F459-I570 HydrophobicContact CD1-CB 4.2Å; F459-I570 HydrophobicContact CD1-CG2 4.28Å; F459-I570 HydrophobicContact CD2-CG2 4.22Å; F459-I570 HydrophobicContact CE1-CB 3.83Å; F459-I570 HydrophobicContact CE1-CD1 3.78Å; F459-I570 HydrophobicContact CE1-CG1 4.38Å; F459-I570 HydrophobicContact CE1-CG2 3.86Å; F459-I570 HydrophobicContact CE2-CG2 3.79Å; F459-I570 HydrophobicContact CG-CG2 4.46Å; F459-I570 HydrophobicContact CZ-CB 4.07Å; F459-I570 HydrophobicContact CZ-CD1 3.84Å; F459-I570 HydrophobicContact CZ-CG2 3.6Å; Y461-I570 PolarHBondContact OH-O 3.5Å; I570-I572 HydrophobicContact CG2-CG2 4.11Å; I570-M614 HydrophobicContact CG2-CE 4.15Å; I570-V619 HydrophobicContact CG2-CB 4.15Å; I570-V619 HydrophobicContact CG2-CG1 3.93Å
571	I	94.8	Very high	92.9	Very high	27 Å²	27	34.2 Å²	34.2	14%	0.138	20%	0.203	C	C	.	.			trans	-131.3	102	-172.6	-56.7	-178.2	0	0	0	109	Y461 T531 L576 L584 L594 H621	Y461-I571 HydrophobicContact CE1-CG1 4.43Å; Y461-I571 HydrophobicContact CE1-CG2 4.46Å; T531-I571 HydrophobicContact CG2-CB 4.26Å; T531-I571 PolarHBondContact OG1-N 3.36Å; I571-L576 HydrophobicContact CG2-CD2 3.74Å; I571-L584 HydrophobicContact CD1-CD1 4Å; I571-L584 HydrophobicContact CD1-CD2 3.43Å; I571-L584 VanDerWaalsContact CD1-CD2 3.43Å; I571-L584 HydrophobicContact CD1-CG 4.29Å; I571-L594 HydrophobicContact CG2-CD2 4.04Å; I571-H621 PolarHBondContact O-NE2 2.88Å
572	I	93.6	Very high	92.8	Very high	3 Å²	3	36.2 Å²	36.2	2%	0.015	21%	0.213	C	C	.	.			trans	-97.4	154.9	-179.6	73	-177.6	0	0	0	111	Y461 C466 E468 I570 G574 G575 D612 M614 V619	Y461-I572 HydrophobicContact CE2-CG1 4.29Å; Y461-I572 PolarHBondContact OH-N 3.26Å; C466-I572 HydrophobicContact CB-CD1 3.79Å; E468-I572 WeakPolarHBondContact O-CD1 3.47Å; I570-I572 HydrophobicContact CG2-CG2 4.11Å; I572-G574 VanDerWaalsContact C-N 3.33Å; I572-G574 PolarHBondContact O-N 2.95Å; I572-G575 WeakPolarHBondContact O-CA 3.28Å; I572-G575 PolarHBondContact O-N 3.31Å; I572-D612 WeakPolarHBondContact CA-OD1 3.23Å; I572-D612 VanDerWaalsContact CB-OD1 3.3Å; I572-D612 WeakPolarHBondContact CB-OD1 3.5Å; I572-M614 HydrophobicContact CG2-SD 3.77Å; I572-V619 HydrophobicContact CG2-CB 4.49Å; I572-V619 HydrophobicContact CG2-CG2 4.21Å
573	N	91.5	Very high	92.7	Very high	23 Å²	23	41.9 Å²	41.9	12%	0.123	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-53.8	-45.9	-178.9	-175.5	3.3	0	0	0	112.3	G575 L576 S596 N599 I601 D612	N573-G575 PolarHBondContact O-N 2.86Å; N573-G575 VanDerWaalsContact O-N 3.15Å; N573-L576 WeakPolarHBondContact O-CB 3.19Å; N573-L576 PolarHBondContact O-N 2.73Å; N573-S596 PolarHBondContact OD1-OG 3.41Å; N573-N599 PolarHBondContact ND2-O 2.9Å; N573-I601 HydrophobicContact CB-CD1 4.33Å; N573-I601 HydrophobicContact CB-CG2 4.03Å; N573-I601 VanDerWaalsContact OD1-CG2 3.25Å; N573-I601 WeakPolarHBondContact OD1-CG2 3.43Å; N573-D612 WeakPolarHBondContact CB-OD2 3.29Å; N573-D612 PolarHBondContact N-OD1 3.11Å
574	G	89.2	Confident	92.6	Very high	45 Å²	45	42.5 Å²	42.5	46%	0.464	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-63.9	-16.1	177.2	0	0	0	0	0	114.9	C471 I572	C471-G574 PolarHBondContact SG-O 3.19Å; I572-G574 VanDerWaalsContact C-N 3.33Å; I572-G574 PolarHBondContact O-N 2.95Å
575	G	90.4	Very high	92.5	Very high	4 Å²	4	49 Å²	49	4%	0.041	28%	0.275	C	S	.	.	G	3₁₀ helix	trans	-82.9	-10.7	172.8	0	0	0	0	0	114.6	Y461 I572 N573	Y461-G575 VanDerWaalsContact CB-O 3.26Å; Y461-G575 WeakPolarHBondContact CB-O 3.28Å; I572-G575 WeakPolarHBondContact O-CA 3.28Å; I572-G575 PolarHBondContact O-N 3.31Å; N573-G575 PolarHBondContact O-N 2.86Å; N573-G575 VanDerWaalsContact O-N 3.15Å
576	L	91.6	Very high	92.5	Very high	17 Å²	17	49.1 Å²	49.1	9%	0.089	28%	0.275	C	S	.	.	S	Bend	trans	-92	135.7	-174.2	-57.4	175.8	0	0	0	112	I571 N573 A578 N582 L594 I601	I571-L576 HydrophobicContact CG2-CD2 3.74Å; N573-L576 WeakPolarHBondContact O-CB 3.19Å; N573-L576 PolarHBondContact O-N 2.73Å; L576-A578 PolarHBondContact O-N 3.43Å; L576-N582 HydrophobicContact CD2-CB 4.4Å; L576-L594 HydrophobicContact CD1-CD2 3.76Å; L576-L594 HydrophobicContact CD1-CG 3.86Å; L576-L594 HydrophobicContact CD2-CD2 4.15Å; L576-I601 HydrophobicContact CD1-CG2 3.63Å
577	E	89.8	Confident	92.3	Very high	86 Å²	86	50.3 Å²	50.3	40%	0.402	28%	0.282	S	S	.	.	P	Polyproline II helix	trans	-68.8	122.7	169.2	-167.5	178.2	172.4	0	0	110.4	T463 K579 V580	T463-E577 HydrophobicContact CG2-CB 4.4Å; T463-E577 HydrophobicContact CG2-CG 4.25Å; E577-K579 PolarHBondContact O-N 2.96Å; E577-V580 HydrophobicContact CB-CB 4.08Å; E577-V580 HydrophobicContact CB-CG2 3.85Å; E577-V580 HydrophobicContact CG-CB 4.46Å; E577-V580 HydrophobicContact CG-CG2 3.69Å; E577-V580 WeakPolarHBondContact O-CB 3.21Å; E577-V580 PolarHBondContact O-N 3.29Å; E577-V580 VanDerWaalsContact O-N 3.12Å
578	A	86.8	Confident	92.3	Very high	72 Å²	72	51.4 Å²	51.4	60%	0.595	29%	0.286	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.5	134.3	-174.9	0	0	0	0	0	112	L576 V580	L576-A578 PolarHBondContact O-N 3.43Å; A578-V580 PolarHBondContact O-N 3.5Å
579	K	85.7	Confident	92.2	Very high	139 Å²	139	48 Å²	48	60%	0.604	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	1	-176	-54.6	176.8	179.6	174.8	0	115.8	E577 S596	E577-K579 PolarHBondContact O-N 2.96Å; K579-S596 WeakPolarHBondContact CA-O 3.34Å; K579-S596 PolarHBondContact N-O 3Å
580	V	90.4	Very high	92.2	Very high	55 Å²	55	49.8 Å²	49.8	33%	0.333	28%	0.281	S	S	.	.			trans	-87.7	136.6	173.5	-179.5	0	0	0	0	110.6	E577 A578 N582	E577-V580 HydrophobicContact CB-CB 4.08Å; E577-V580 HydrophobicContact CB-CG2 3.85Å; E577-V580 HydrophobicContact CG-CB 4.46Å; E577-V580 HydrophobicContact CG-CG2 3.69Å; E577-V580 WeakPolarHBondContact O-CB 3.21Å; E577-V580 PolarHBondContact O-N 3.29Å; E577-V580 VanDerWaalsContact O-N 3.12Å; A578-V580 PolarHBondContact O-N 3.5Å; V580-N582 PolarHBondContact O-ND2 3.49Å
581	T	92.7	Very high	92.2	Very high	70 Å²	70	52.4 Å²	52.4	43%	0.429	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	115.1	171.4	-56.5	0	0	0	0	109.8	L583 Q593	T581-L583 HydrophobicContact CG2-CD2 4.45Å; T581-Q593 HydrophobicContact CG2-CB 3.77Å; T581-Q593 HydrophobicContact CG2-CG 4.25Å
582	N	92.4	Very high	92.1	Very high	49 Å²	49	51.1 Å²	51.1	26%	0.262	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	134.4	176.4	-64.2	-91.4	0	0	0	109.1	L576 V580 L584 L594	L576-N582 HydrophobicContact CD2-CB 4.4Å; V580-N582 PolarHBondContact O-ND2 3.49Å; N582-L584 HydrophobicContact CB-CD2 4.36Å; N582-L594 WeakPolarHBondContact CB-O 3.39Å; N582-L594 PolarHBondContact N-O 3.49Å; N582-L594 PolarHBondContact O-N 3.32Å
583	L	94.2	Very high	92.1	Very high	122 Å²	122	55.9 Å²	55.9	64%	0.639	31%	0.314	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	110.5	179.7	-62.5	-178.2	0	0	0	109.9	T581 L592 Q593	T581-L583 HydrophobicContact CG2-CD2 4.45Å; L583-L592 WeakPolarHBondContact CA-O 3.46Å; L583-Q593 HydrophobicContact CD2-CG 3.82Å
584	L	94.6	Very high	92.3	Very high	13 Å²	13	54.8 Å²	54.8	7%	0.068	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	124.6	-177.7	-49	-169.1	0	0	0	109.9	F533 I571 N582 T586 P591 L592 L594	F533-L584 HydrophobicContact CE2-CD1 4.3Å; F533-L584 HydrophobicContact CZ-CD1 4.17Å; I571-L584 HydrophobicContact CD1-CD1 4Å; I571-L584 HydrophobicContact CD1-CD2 3.43Å; I571-L584 VanDerWaalsContact CD1-CD2 3.43Å; I571-L584 HydrophobicContact CD1-CG 4.29Å; N582-L584 HydrophobicContact CB-CD2 4.36Å; L584-T586 PolarHBondContact O-N 3.44Å; L584-P591 CarbonylContact O-C 3.31Å; L584-P591 WeakPolarHBondContact O-CA 3.26Å; L584-L592 HydrophobicContact CB-CB 4.34Å; L584-L592 PolarHBondContact N-O 3.45Å; L584-L592 PolarHBondContact O-N 3.03Å; L584-L594 HydrophobicContact CD1-CB 4.04Å; L584-L594 HydrophobicContact CD1-CD2 3.82Å; L584-L594 HydrophobicContact CG-CB 4.22Å
585	K	95	Very high	92.4	Very high	143 Å²	143	55.3 Å²	55.3	62%	0.622	30%	0.298	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-78.8	114.5	177.1	-176.7	-163.1	168.5	-156.8	0	109.4	S567	S567-K585 PolarHBondContact OG-O 3.06Å
586	T	95.7	Very high	92.3	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.018	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-77	165.2	178.9	65.1	0	0	0	0	113	Y564 F566 L584 Q588 G589 K590 L592	Y564-T586 HydrophobicContact CD2-CG2 3.64Å; Y564-T586 HydrophobicContact CE2-CG2 3.91Å; Y564-T586 HydrophobicContact CG-CG2 4.39Å; Y564-T586 VanDerWaalsContact O-CG2 3.3Å; Y564-T586 WeakPolarHBondContact O-CG2 3.27Å; F566-T586 CarbonylContact O-C 3.44Å; F566-T586 WeakPolarHBondContact O-CA 3.31Å; F566-T586 VanDerWaalsContact O-CB 3.28Å; F566-T586 WeakPolarHBondContact O-CB 3.35Å; L584-T586 PolarHBondContact O-N 3.44Å; T586-Q588 PolarHBondContact O-N 2.73Å; T586-Q588 PolarHBondContact OG1-N 3.23Å; T586-G589 WeakPolarHBondContact O-CA 3.38Å; T586-G589 PolarHBondContact O-N 3.21Å; T586-G589 PolarHBondContact OG1-N 3.09Å; T586-G589 VanDerWaalsContact OG1-N 3.12Å; T586-K590 WeakPolarHBondContact CB-O 3.46Å; T586-K590 WeakPolarHBondContact CG2-O 3.45Å; T586-K590 PolarHBondContact N-O 3.32Å; T586-K590 PolarHBondContact OG1-O 3.45Å; T586-L592 HydrophobicContact CG2-CB 4.4Å; T586-L592 HydrophobicContact CG2-CD1 3.69Å; T586-L592 HydrophobicContact CG2-CG 3.55Å
587	L	94.3	Very high	91.9	Very high	25 Å²	25	57.4 Å²	57.4	13%	0.131	31%	0.307	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-22.4	169.1	-62.4	-178.1	0	0	0	112.7	L523 Y530 L563 F566 E568 G589 F667	L523-L587 HydrophobicContact CD1-CD1 4.16Å; L523-L587 HydrophobicContact CD2-CD1 3.79Å; Y530-L587 HydrophobicContact CD1-CD1 4.5Å; Y530-L587 HydrophobicContact CE1-CD1 4.34Å; L563-L587 HydrophobicContact CB-CB 4.13Å; L563-L587 HydrophobicContact CD2-CB 4Å; L563-L587 HydrophobicContact CD2-CD1 4.1Å; L563-L587 PolarHBondContact O-N 2.88Å; F566-L587 HydrophobicContact CB-CB 4.41Å; F566-L587 HydrophobicContact CB-CD1 3.64Å; F566-L587 HydrophobicContact CB-CG 3.95Å; F566-L587 HydrophobicContact CG-CD1 4.35Å; F566-L587 PolarHBondContact O-N 2.69Å; E568-L587 HydrophobicContact CG-CD2 3.69Å; L587-G589 VanDerWaalsContact C-N 3.3Å; L587-F667 HydrophobicContact CD1-CD2 4.37Å; L587-F667 HydrophobicContact CD1-CE2 3.9Å; L587-F667 HydrophobicContact CD1-CZ 4.37Å
588	Q	94.2	Very high	91.3	Very high	27 Å²	27	60.1 Å²	60.1	13%	0.126	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-28.6	167.3	-168.4	-72.5	-31.1	0	0	111.9	N560 L563 Y564 T586 K590 I663	N560-Q588 HydrophobicContact CB-CG 4.2Å; N560-Q588 WeakPolarHBondContact O-CG 3.39Å; N560-Q588 PolarHBondContact OD1-NE2 3.4Å; L563-Q588 HydrophobicContact CB-CB 4.13Å; L563-Q588 PolarHBondContact O-N 2.95Å; L563-Q588 VanDerWaalsContact O-N 3.14Å; Y564-Q588 HydrophobicContact CD2-CB 4.4Å; T586-Q588 PolarHBondContact O-N 2.73Å; T586-Q588 PolarHBondContact OG1-N 3.23Å; Q588-K590 VanDerWaalsContact OE1-CB 3.29Å; Q588-I663 HydrophobicContact CB-CD1 4.43Å; Q588-I663 HydrophobicContact CG-CD1 4.14Å
589	G	91.3	Very high	90.6	Very high	43 Å²	43	63.8 Å²	63.8	44%	0.443	33%	0.334	S	S	.	.	S	Bend	trans	108	-25.4	174.7	0	0	0	0	0	114.4	T586 L587	T586-G589 WeakPolarHBondContact O-CA 3.38Å; T586-G589 PolarHBondContact O-N 3.21Å; T586-G589 PolarHBondContact OG1-N 3.09Å; T586-G589 VanDerWaalsContact OG1-N 3.12Å; L587-G589 VanDerWaalsContact C-N 3.3Å
590	K	93.5	Very high	90.4	Very high	67 Å²	67	59.5 Å²	59.5	29%	0.291	32%	0.322	S	S	.	.	S	Bend	trans	-72.4	151.4	170.5	-67.4	-66.7	-172.5	176.7	0	111.3	Y564 T586 Q588 P629 D631	Y564-K590 HydrophobicContact CD2-CB 4.17Å; Y564-K590 HydrophobicContact CE2-CB 3.76Å; T586-K590 WeakPolarHBondContact CB-O 3.46Å; T586-K590 WeakPolarHBondContact CG2-O 3.45Å; T586-K590 PolarHBondContact N-O 3.32Å; T586-K590 PolarHBondContact OG1-O 3.45Å; Q588-K590 VanDerWaalsContact OE1-CB 3.29Å; K590-P629 HydrophobicContact CB-CB 3.91Å; K590-P629 HydrophobicContact CB-CG 4.17Å; K590-P629 HydrophobicContact CG-CB 3.93Å; K590-P629 HydrophobicContact CG-CG 4.2Å; K590-D631 VanDerWaalsContact CD-OD1 3.31Å; K590-D631 WeakPolarHBondContact CD-OD1 3.41Å; K590-D631 WeakPolarHBondContact CE-OD1 3.11Å; K590-D631 WeakPolarHBondContact CE-OD2 3.39Å; K590-D631 VanDerWaalsContact NZ-CG 3.3Å; K590-D631 IonicContact NZ-OD1 2.75Å; K590-D631 PolarHBondContact NZ-OD1 3.03Å; K590-D631 IonicContact NZ-OD2 3.22Å; K590-D631 PolarHBondContact NZ-OD2 3.35Å
591	P	94.1	Very high	90.4	Very high	68 Å²	68	57 Å²	57	44%	0.442	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	146.6	177.5	31.1	-34.3	0	0	0	112.7	Y564 L584	Y564-P591 WeakPolarHBondContact CE2-O 3.45Å; Y564-P591 PolarHBondContact OH-O 2.87Å; L584-P591 CarbonylContact O-C 3.31Å; L584-P591 WeakPolarHBondContact O-CA 3.26Å
592	L	93.9	Very high	90.4	Very high	0 Å²	0	57.9 Å²	57.9	0%	0	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	150.7	157.9	-74	169.3	0	0	0	110	F533 Y564 L583 L584 T586 V603 L627	F533-L592 HydrophobicContact CD2-CD1 3.53Å; F533-L592 HydrophobicContact CE2-CD1 3.47Å; F533-L592 VanDerWaalsContact CE2-CD1 3.47Å; F533-L592 HydrophobicContact CZ-CD1 4.44Å; Y564-L592 HydrophobicContact CD1-CD2 4.05Å; Y564-L592 HydrophobicContact CE1-CD2 3.43Å; Y564-L592 VanDerWaalsContact CE1-CD2 3.43Å; Y564-L592 HydrophobicContact CE1-CG 4.38Å; Y564-L592 HydrophobicContact CE2-CD2 4.06Å; Y564-L592 HydrophobicContact CE2-CG 4.17Å; Y564-L592 VanDerWaalsContact CZ-CD2 3.43Å; Y564-L592 WeakPolarHBondContact O-CD1 3.43Å; L583-L592 WeakPolarHBondContact CA-O 3.46Å; L584-L592 HydrophobicContact CB-CB 4.34Å; L584-L592 PolarHBondContact N-O 3.45Å; L584-L592 PolarHBondContact O-N 3.03Å; T586-L592 HydrophobicContact CG2-CB 4.4Å; T586-L592 HydrophobicContact CG2-CD1 3.69Å; T586-L592 HydrophobicContact CG2-CG 3.55Å; L592-V603 HydrophobicContact CB-CG2 4.25Å; L592-V603 HydrophobicContact CD1-CG2 4.2Å; L592-V603 HydrophobicContact CD2-CG2 3.79Å; L592-V603 HydrophobicContact CG-CG2 4.32Å; L592-L627 HydrophobicContact CD2-CD1 4.03Å
593	Q	93.6	Very high	90.5	Very high	102 Å²	102	55.6 Å²	55.6	48%	0.477	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	105.5	173.5	-59.4	-172.1	18.3	0	0	110.2	T581 L583 V603 N604	T581-Q593 HydrophobicContact CG2-CB 3.77Å; T581-Q593 HydrophobicContact CG2-CG 4.25Å; L583-Q593 HydrophobicContact CD2-CG 3.82Å; Q593-V603 CarbonylContact O-C 3.43Å; Q593-V603 VanDerWaalsContact O-CA 3.31Å; Q593-V603 WeakPolarHBondContact O-CA 3.29Å; Q593-N604 PolarHBondContact N-OD1 3.38Å; Q593-N604 PolarHBondContact O-N 2.78Å
594	L	94.2	Very high	90.4	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	122.9	178.7	-171.7	65.8	0	0	0	110.9	F533 I571 L576 N582 L584 I601 R602 V603 I608	F533-L594 HydrophobicContact CE1-CD1 3.95Å; F533-L594 HydrophobicContact CZ-CD1 4.09Å; F533-L594 HydrophobicContact CZ-CD2 4.27Å; I571-L594 HydrophobicContact CG2-CD2 4.04Å; L576-L594 HydrophobicContact CD1-CD2 3.76Å; L576-L594 HydrophobicContact CD1-CG 3.86Å; L576-L594 HydrophobicContact CD2-CD2 4.15Å; N582-L594 WeakPolarHBondContact CB-O 3.39Å; N582-L594 PolarHBondContact N-O 3.49Å; N582-L594 PolarHBondContact O-N 3.32Å; L584-L594 HydrophobicContact CD1-CB 4.04Å; L584-L594 HydrophobicContact CD1-CD2 3.82Å; L584-L594 HydrophobicContact CG-CB 4.22Å; L594-I601 HydrophobicContact CD1-CB 4.33Å; L594-I601 HydrophobicContact CD1-CD1 4.46Å; L594-R602 WeakPolarHBondContact CA-O 3.31Å; L594-V603 HydrophobicContact CD1-CB 4.13Å; L594-I608 HydrophobicContact CD1-CD1 3.96Å
595	K	91.9	Very high	90	Very high	55 Å²	55	54.4 Å²	54.4	24%	0.239	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	131.6	-179.3	-176	-168.1	175.1	-160.8	0	110.3	E597 I601 R602	K595-E597 IonicContact NZ-OE1 2.7Å; K595-E597 PolarHBondContact NZ-OE1 3.26Å; K595-E597 IonicContact NZ-OE2 2.9Å; K595-E597 PolarHBondContact NZ-OE2 2.81Å; K595-I601 WeakPolarHBondContact O-CA 3.38Å; K595-R602 PolarHBondContact N-O 2.89Å; K595-R602 PolarHBondContact O-N 3.36Å
596	S	89.2	Confident	89.8	Confident	10 Å²	10	48 Å²	48	7%	0.07	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	133.3	168.3	-173.7	0	0	0	0	110.7	N573 K579 S600	N573-S596 PolarHBondContact OD1-OG 3.41Å; K579-S596 WeakPolarHBondContact CA-O 3.34Å; K579-S596 PolarHBondContact N-O 3Å; S596-S600 CarbonylContact C-O 3.49Å; S596-S600 WeakPolarHBondContact CA-O 3.22Å
597	E	83.1	Confident	89.5	Confident	55 Å²	55	53.1 Å²	53.1	26%	0.257	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.9	124.3	-179.4	-171.6	151.4	-115.6	0	0	110.6	K595 N599 S600	K595-E597 IonicContact NZ-OE1 2.7Å; K595-E597 PolarHBondContact NZ-OE1 3.26Å; K595-E597 IonicContact NZ-OE2 2.9Å; K595-E597 PolarHBondContact NZ-OE2 2.81Å; E597-N599 VanDerWaalsContact C-N 3.32Å; E597-N599 PolarHBondContact O-N 3.18Å; E597-S600 PolarHBondContact N-O 2.82Å; E597-S600 PolarHBondContact O-N 3.46Å; E597-S600 VanDerWaalsContact O-O 3.1Å; E597-S600 PolarHBondContact O-OG 2.88Å
598	N	76.4	Confident	89.5	Confident	144 Å²	144	52.5 Å²	52.5	77%	0.77	28%	0.284	S	S	*	.	T	Hydrogen-bonded Turn	trans	52	46.3	-178.7	-53.2	-19.9	0	0	0	113.2	S600	N598-S600 PolarHBondContact O-N 2.92Å
599	N	72.3	Confident	89.3	Confident	149 Å²	149	55 Å²	55	80%	0.797	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.2	-9.8	-171.9	-67.4	16	0	0	0	116.4	N573 E597	N573-N599 PolarHBondContact ND2-O 2.9Å; E597-N599 VanDerWaalsContact C-N 3.32Å; E597-N599 PolarHBondContact O-N 3.18Å
600	S	82.6	Confident	89.4	Confident	48 Å²	48	57.3 Å²	57.3	34%	0.336	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80	151.5	167.9	74.5	0	0	0	0	111.3	S596 E597 N598	S596-S600 CarbonylContact C-O 3.49Å; S596-S600 WeakPolarHBondContact CA-O 3.22Å; E597-S600 PolarHBondContact N-O 2.82Å; E597-S600 PolarHBondContact O-N 3.46Å; E597-S600 VanDerWaalsContact O-O 3.1Å; E597-S600 PolarHBondContact O-OG 2.88Å; N598-S600 PolarHBondContact O-N 2.92Å
601	I	90.2	Very high	89.4	Confident	2 Å²	2	55.8 Å²	55.8	1%	0.01	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	147.2	165.9	43.4	165.9	0	0	0	111.7	N573 L576 L594 K595 I608	N573-I601 HydrophobicContact CB-CD1 4.33Å; N573-I601 HydrophobicContact CB-CG2 4.03Å; N573-I601 VanDerWaalsContact OD1-CG2 3.25Å; N573-I601 WeakPolarHBondContact OD1-CG2 3.43Å; L576-I601 HydrophobicContact CD1-CG2 3.63Å; L594-I601 HydrophobicContact CD1-CB 4.33Å; L594-I601 HydrophobicContact CD1-CD1 4.46Å; K595-I601 WeakPolarHBondContact O-CA 3.38Å; I601-I608 HydrophobicContact CB-CD1 4.11Å; I601-I608 HydrophobicContact CD1-CB 4.47Å; I601-I608 HydrophobicContact CD1-CD1 3.63Å; I601-I608 HydrophobicContact CD1-CG2 4.11Å; I601-I608 HydrophobicContact CG1-CB 4.02Å; I601-I608 HydrophobicContact CG1-CD1 3.73Å; I601-I608 HydrophobicContact CG1-CG1 4.48Å; I601-I608 HydrophobicContact CG1-CG2 4.01Å; I601-I608 WeakPolarHBondContact O-CB 3.41Å; I601-I608 PolarHBondContact O-N 3.06Å; I601-I608 VanDerWaalsContact O-N 3.16Å
602	R	91.9	Very high	89.3	Confident	90 Å²	90	54.5 Å²	54.5	34%	0.34	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	134.1	177.8	-68.1	-174.3	170.8	-163.1	-1.1	111	L594 K595 V606 E607	L594-R602 WeakPolarHBondContact CA-O 3.31Å; K595-R602 PolarHBondContact N-O 2.89Å; K595-R602 PolarHBondContact O-N 3.36Å; R602-V606 CarbonylContact C-O 3.4Å; R602-V606 WeakPolarHBondContact CA-O 3.37Å; R602-V606 WeakPolarHBondContact CB-O 3.3Å; R602-E607 HydrophobicContact CG-CG 4.14Å; R602-E607 IonicContact CZ-OE1 3.43Å; R602-E607 IonicContact NE-OE1 2.67Å; R602-E607 PolarHBondContact NE-OE1 3.43Å; R602-E607 IonicContact NH2-OE1 2.65Å; R602-E607 PolarHBondContact NH2-OE1 3.12Å
603	V	93.9	Very high	89.4	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	121	178	59.3	0	0	0	0	109.8	F533 L592 Q593 L594 S605 V606 I608 V623 L627	F533-V603 HydrophobicContact CD1-CB 4.12Å; F533-V603 HydrophobicContact CD1-CG1 3.91Å; F533-V603 HydrophobicContact CD1-CG2 4.15Å; F533-V603 HydrophobicContact CE1-CB 3.96Å; F533-V603 HydrophobicContact CE1-CG1 4.22Å; F533-V603 HydrophobicContact CE1-CG2 4.02Å; F533-V603 HydrophobicContact CE2-CG2 4.46Å; F533-V603 HydrophobicContact CG-CG2 4.43Å; F533-V603 HydrophobicContact CZ-CG2 4.18Å; L592-V603 HydrophobicContact CB-CG2 4.25Å; L592-V603 HydrophobicContact CD1-CG2 4.2Å; L592-V603 HydrophobicContact CD2-CG2 3.79Å; L592-V603 HydrophobicContact CG-CG2 4.32Å; Q593-V603 CarbonylContact O-C 3.43Å; Q593-V603 VanDerWaalsContact O-CA 3.31Å; Q593-V603 WeakPolarHBondContact O-CA 3.29Å; L594-V603 HydrophobicContact CD1-CB 4.13Å; V603-S605 PolarHBondContact O-N 3.14Å; V603-S605 VanDerWaalsContact O-N 3.08Å; V603-V606 HydrophobicContact CG1-CB 4.46Å; V603-V606 PolarHBondContact N-O 3.27Å; V603-V606 WeakPolarHBondContact O-CA 3.34Å; V603-V606 VanDerWaalsContact O-CB 3.27Å; V603-V606 WeakPolarHBondContact O-CB 3.32Å; V603-V606 PolarHBondContact O-N 3.12Å; V603-I608 HydrophobicContact CB-CD1 4.09Å; V603-I608 HydrophobicContact CG1-CD1 3.89Å; V603-I608 HydrophobicContact CG1-CG1 3.99Å; V603-V623 HydrophobicContact CG1-CG1 3.72Å; V603-L627 HydrophobicContact CG1-CD1 3.94Å; V603-L627 HydrophobicContact CG1-CD2 4.02Å; V603-L627 HydrophobicContact CG2-CD1 3.85Å
604	N	91.9	Very high	89.4	Confident	20 Å²	20	52.9 Å²	52.9	11%	0.107	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	50.5	30.9	-171.2	-69.3	-3.4	0	0	0	113.9	Y564 Q593 V606 Y649	Y564-N604 PolarHBondContact OH-ND2 3.45Å; Q593-N604 PolarHBondContact N-OD1 3.38Å; Q593-N604 PolarHBondContact O-N 2.78Å; N604-V606 VanDerWaalsContact C-N 3.29Å; N604-V606 PolarHBondContact O-N 3.22Å; N604-Y649 HydrophobicContact CB-CE2 3.95Å
605	S	87.4	Confident	89.5	Confident	91 Å²	91	52.8 Å²	52.8	64%	0.636	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	-5.6	-170.8	-42.8	0	0	0	0	116.9	V603	V603-S605 PolarHBondContact O-N 3.14Å; V603-S605 VanDerWaalsContact O-N 3.08Å
606	V	90.8	Very high	89.6	Confident	8 Å²	8	53.8 Å²	53.8	5%	0.048	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	139.8	169.4	-179.2	0	0	0	0	109.9	R602 V603 N604 N625 L627 Y649	R602-V606 CarbonylContact C-O 3.4Å; R602-V606 WeakPolarHBondContact CA-O 3.37Å; R602-V606 WeakPolarHBondContact CB-O 3.3Å; V603-V606 HydrophobicContact CG1-CB 4.46Å; V603-V606 PolarHBondContact N-O 3.27Å; V603-V606 WeakPolarHBondContact O-CA 3.34Å; V603-V606 VanDerWaalsContact O-CB 3.27Å; V603-V606 WeakPolarHBondContact O-CB 3.32Å; V603-V606 PolarHBondContact O-N 3.12Å; N604-V606 VanDerWaalsContact C-N 3.29Å; N604-V606 PolarHBondContact O-N 3.22Å; V606-N625 HydrophobicContact CG1-CB 4Å; V606-N625 HydrophobicContact CG2-CB 4.34Å; V606-L627 HydrophobicContact CB-CD2 4.34Å; V606-L627 HydrophobicContact CG2-CD2 4.11Å; V606-Y649 HydrophobicContact CG2-CD1 3.5Å; V606-Y649 HydrophobicContact CG2-CD2 3.98Å; V606-Y649 HydrophobicContact CG2-CE1 3.71Å; V606-Y649 HydrophobicContact CG2-CE2 4.21Å; V606-Y649 HydrophobicContact CG2-CG 3.68Å
607	E	89.4	Confident	89.9	Confident	110 Å²	110	53.3 Å²	53.3	51%	0.514	29%	0.286	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	141.7	176.5	-62.6	-170.6	140.3	0	0	113	R602 P609	R602-E607 HydrophobicContact CG-CG 4.14Å; R602-E607 IonicContact CZ-OE1 3.43Å; R602-E607 IonicContact NE-OE1 2.67Å; R602-E607 PolarHBondContact NE-OE1 3.43Å; R602-E607 IonicContact NH2-OE1 2.65Å; R602-E607 PolarHBondContact NH2-OE1 3.12Å; E607-P609 WeakPolarHBondContact O-CD 3.35Å
608	I	93.4	Very high	90.5	Very high	12 Å²	12	50.7 Å²	50.7	6%	0.062	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	101.9	174.9	-67.2	160.8	0	0	0	107.4	F533 L594 I601 V603 K610 H621 V622 V623	F533-I608 HydrophobicContact CD1-CD1 4.11Å; F533-I608 HydrophobicContact CE1-CD1 3.83Å; L594-I608 HydrophobicContact CD1-CD1 3.96Å; I601-I608 HydrophobicContact CB-CD1 4.11Å; I601-I608 HydrophobicContact CD1-CB 4.47Å; I601-I608 HydrophobicContact CD1-CD1 3.63Å; I601-I608 HydrophobicContact CD1-CG2 4.11Å; I601-I608 HydrophobicContact CG1-CB 4.02Å; I601-I608 HydrophobicContact CG1-CD1 3.73Å; I601-I608 HydrophobicContact CG1-CG1 4.48Å; I601-I608 HydrophobicContact CG1-CG2 4.01Å; I601-I608 WeakPolarHBondContact O-CB 3.41Å; I601-I608 PolarHBondContact O-N 3.06Å; I601-I608 VanDerWaalsContact O-N 3.16Å; V603-I608 HydrophobicContact CB-CD1 4.09Å; V603-I608 HydrophobicContact CG1-CD1 3.89Å; V603-I608 HydrophobicContact CG1-CG1 3.99Å; I608-K610 VanDerWaalsContact C-N 3.29Å; I608-K610 PolarHBondContact O-N 3.41Å; I608-H621 HydrophobicContact CD1-CB 4.28Å; I608-H621 HydrophobicContact CG2-CB 3.96Å; I608-V622 WeakPolarHBondContact CA-O 3.35Å; I608-V622 WeakPolarHBondContact CG2-O 3.35Å; I608-V623 HydrophobicContact CG1-CG1 3.76Å
609	P	91.3	Very high	91.4	Very high	81 Å²	81	43.9 Å²	43.9	53%	0.526	24%	0.237	S	C	.	.	S	Bend	trans	-68.2	-21.3	-179.5	25.5	-38.1	0	0	0	115.1	E607 V622 K624	E607-P609 WeakPolarHBondContact O-CD 3.35Å; P609-V622 VanDerWaalsContact CD-O 3.28Å; P609-V622 WeakPolarHBondContact CD-O 3.03Å; P609-V622 HydrophobicContact CG-CG1 4.38Å; P609-K624 HydrophobicContact CG-CD 4.45Å; P609-K624 HydrophobicContact CG-CG 4.14Å
610	K	92.2	Very high	92.6	Very high	91 Å²	91	36.9 Å²	36.9	40%	0.396	20%	0.199	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.2	109.3	-175.9	-177.9	-179.9	177.2	-178.6	0	108.2	D505 I608 L613 V622	D505-K610 IonicContact OD2-NZ 2.66Å; D505-K610 PolarHBondContact OD2-NZ 2.82Å; I608-K610 VanDerWaalsContact C-N 3.29Å; I608-K610 PolarHBondContact O-N 3.41Å; K610-L613 HydrophobicContact CD-CD1 4.05Å; K610-L613 HydrophobicContact CD-CD2 4.38Å; K610-L613 HydrophobicContact CG-CD1 4.05Å; K610-L613 HydrophobicContact CG-CD2 4.01Å; K610-L613 HydrophobicContact CG-CG 4.28Å; K610-V622 HydrophobicContact CB-CB 4.04Å; K610-V622 HydrophobicContact CB-CG2 3.92Å; K610-V622 HydrophobicContact CD-CG2 4.13Å; K610-V622 HydrophobicContact CG-CG2 4.19Å; K610-V622 WeakPolarHBondContact O-CB 3.42Å; K610-V622 PolarHBondContact O-N 2.97Å
611	S	92.9	Very high	93.3	Very high	35 Å²	35	34.6 Å²	34.6	25%	0.245	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	172.9	-176.7	62	0	0	0	0	112.3	L613 H621	S611-L613 VanDerWaalsContact C-N 3.27Å; S611-L613 PolarHBondContact O-N 3.29Å; S611-H621 WeakPolarHBondContact CA-ND1 3.32Å; S611-H621 WeakPolarHBondContact CB-ND1 3.46Å
612	D	93.3	Very high	93.6	Very high	41 Å²	41	34.8 Å²	34.8	22%	0.219	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	62.4	28.9	162.3	-47.7	-55.1	0	0	0	114.8	I572 N573 M614 H621	I572-D612 WeakPolarHBondContact CA-OD1 3.23Å; I572-D612 VanDerWaalsContact CB-OD1 3.3Å; I572-D612 WeakPolarHBondContact CB-OD1 3.5Å; N573-D612 WeakPolarHBondContact CB-OD2 3.29Å; N573-D612 PolarHBondContact N-OD1 3.11Å; D612-M614 PolarHBondContact O-N 3.22Å; D612-H621 PolarHBondContact N-CE1 3.29Å; D612-H621 PolarHBondContact N-ND1 2.83Å; D612-H621 VanDerWaalsContact N-ND1 3.17Å; D612-H621 IonicContact OD1-CE1 2.72Å; D612-H621 PolarHBondContact OD1-CE1 3.3Å
613	L	94.8	Very high	93.7	Very high	49 Å²	49	30.5 Å²	30.5	26%	0.257	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	92.3	175.2	-54.1	-180	0	0	0	109.1	K610 S611 A615 V620 V622	K610-L613 HydrophobicContact CD-CD1 4.05Å; K610-L613 HydrophobicContact CD-CD2 4.38Å; K610-L613 HydrophobicContact CG-CD1 4.05Å; K610-L613 HydrophobicContact CG-CD2 4.01Å; K610-L613 HydrophobicContact CG-CG 4.28Å; S611-L613 VanDerWaalsContact C-N 3.27Å; S611-L613 PolarHBondContact O-N 3.29Å; L613-A615 PolarHBondContact O-N 3.43Å; L613-V620 HydrophobicContact CB-CB 4.1Å; L613-V620 WeakPolarHBondContact CB-O 3.46Å; L613-V620 HydrophobicContact CD1-CG1 4.45Å; L613-V620 PolarHBondContact N-O 3.11Å; L613-V620 VanDerWaalsContact N-O 3.1Å; L613-V620 PolarHBondContact O-N 3.19Å; L613-V622 HydrophobicContact CD1-CG2 3.86Å
614	M	94.8	Very high	93.6	Very high	18 Å²	18	35 Å²	35	9%	0.089	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	127.5	-175.6	-61.7	-55.2	-63.4	0	0	112	F459 A494 L501 I570 I572 D612 V619	F459-M614 HydrophobicContact CE2-CE 3.71Å; F459-M614 HydrophobicContact CZ-CE 3.97Å; A494-M614 HydrophobicContact CB-CB 4.17Å; A494-M614 WeakPolarHBondContact CB-O 3.34Å; L501-M614 WeakPolarHBondContact CD1-O 3.31Å; I570-M614 HydrophobicContact CG2-CE 4.15Å; I572-M614 HydrophobicContact CG2-SD 3.77Å; D612-M614 PolarHBondContact O-N 3.22Å; M614-V619 HydrophobicContact SD-CB 4.2Å; M614-V619 HydrophobicContact SD-CG2 3.99Å
615	A	95.9	Very high	93.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	157.9	175.5	0	0	0	0	0	110.6	R457 K496 A498 L501 L613 N617 G618	R457-A615 VanDerWaalsContact CZ-O 3.29Å; R457-A615 PolarHBondContact NH1-O 2.91Å; R457-A615 PolarHBondContact NH2-O 2.92Å; K496-A615 CarbonylContact O-C 3.5Å; K496-A615 VanDerWaalsContact O-CA 3.32Å; K496-A615 WeakPolarHBondContact O-CA 3.36Å; A498-A615 HydrophobicContact CB-CB 4.12Å; L501-A615 HydrophobicContact CD1-CB 3.69Å; L613-A615 PolarHBondContact O-N 3.43Å; A615-N617 PolarHBondContact O-N 2.9Å; A615-G618 CarbonylContact C-O 3.59Å; A615-G618 WeakPolarHBondContact CA-O 3.44Å; A615-G618 PolarHBondContact N-O 3.5Å; A615-G618 PolarHBondContact O-N 2.99Å
616	I	94.8	Very high	93.9	Very high	75 Å²	75	32.1 Å²	32.1	39%	0.385	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.6	-36.9	175.1	-68.7	168.6	0	0	0	111	R457 A494 K496	R457-I616 PolarHBondContact NH1-O 2.86Å; A494-I616 HydrophobicContact CB-CG1 4.39Å; A494-I616 WeakPolarHBondContact O-CG1 3.47Å; K496-I616 PolarHBondContact O-N 2.81Å
617	N	94.5	Very high	94.1	Very high	1 Å²	1	31.7 Å²	31.7	1%	0.005	16%	0.163	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.5	7.1	-177.2	58.4	-14.9	0	0	0	115.1	A498 L524 Q526 G528 S529 Y530 A615	A498-N617 PolarHBondContact N-OD1 3.14Å; L524-N617 VanDerWaalsContact C-ND2 3.3Å; L524-N617 PolarHBondContact O-ND2 3.23Å; Q526-N617 WeakPolarHBondContact O-CB 3.42Å; Q526-N617 PolarHBondContact O-ND2 3.1Å; G528-N617 CarbonylContact C-O 3.57Å; G528-N617 VanDerWaalsContact C-O 3.29Å; S529-N617 WeakPolarHBondContact CA-O 3.46Å; S529-N617 PolarHBondContact N-O 2.79Å; Y530-N617 PolarHBondContact N-O 3.21Å; Y530-N617 VanDerWaalsContact N-O 3.1Å; A615-N617 PolarHBondContact O-N 2.9Å
618	G	95.5	Very high	94.3	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.2	-158.3	-178	0	0	0	0	0	116	Y530 A615	Y530-G618 CarbonylContact O-C 3.59Å; Y530-G618 WeakPolarHBondContact O-CA 3.16Å; A615-G618 CarbonylContact C-O 3.59Å; A615-G618 WeakPolarHBondContact CA-O 3.44Å; A615-G618 PolarHBondContact N-O 3.5Å; A615-G618 PolarHBondContact O-N 2.99Å
619	V	96.5	Very high	94.2	Very high	0 Å²	0	26 Å²	26	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	137.6	165.6	60.4	0	0	0	0	109.3	Y530 T531 I532 I570 I572 M614	Y530-V619 PolarHBondContact O-N 3.38Å; T531-V619 HydrophobicContact CG2-CG1 4.15Å; I532-V619 PolarHBondContact N-O 2.89Å; I570-V619 HydrophobicContact CG2-CB 4.15Å; I570-V619 HydrophobicContact CG2-CG1 3.93Å; I572-V619 HydrophobicContact CG2-CB 4.49Å; I572-V619 HydrophobicContact CG2-CG2 4.21Å; M614-V619 HydrophobicContact SD-CB 4.2Å; M614-V619 HydrophobicContact SD-CG2 3.99Å
620	V	97.4	Very high	93.9	Very high	2 Å²	2	24.7 Å²	24.7	1%	0.012	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	131.4	175.7	177.2	0	0	0	0	110.4	A498 L502 I532 A534 L613	A498-V620 HydrophobicContact CB-CG2 4.04Å; L502-V620 HydrophobicContact CD2-CG1 4.02Å; I532-V620 HydrophobicContact CB-CG2 4.21Å; I532-V620 HydrophobicContact CD1-CG2 4.2Å; I532-V620 CarbonylContact O-C 3.5Å; I532-V620 WeakPolarHBondContact O-CA 3.26Å; A534-V620 HydrophobicContact CB-CG1 3.77Å; L613-V620 HydrophobicContact CB-CB 4.1Å; L613-V620 WeakPolarHBondContact CB-O 3.46Å; L613-V620 HydrophobicContact CD1-CG1 4.45Å; L613-V620 PolarHBondContact N-O 3.11Å; L613-V620 VanDerWaalsContact N-O 3.1Å; L613-V620 PolarHBondContact O-N 3.19Å
621	H	96.8	Very high	93.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	120.2	170.7	-62.9	-59.1	0	0	0	108.4	I532 F533 A534 I571 I608 S611 D612	I532-H621 PolarHBondContact O-N 3.31Å; F533-H621 CarbonylContact C-O 3.5Å; F533-H621 VanDerWaalsContact CA-O 3.27Å; F533-H621 WeakPolarHBondContact CA-O 3.21Å; F533-H621 HydrophobicContact CD1-CB 3.77Å; F533-H621 HydrophobicContact CE1-CB 3.95Å; F533-H621 AromaticContact CE1-CD2 3.76Å; A534-H621 PolarHBondContact N-O 3.25Å; I571-H621 PolarHBondContact O-NE2 2.88Å; I608-H621 HydrophobicContact CD1-CB 4.28Å; I608-H621 HydrophobicContact CG2-CB 3.96Å; S611-H621 WeakPolarHBondContact CA-ND1 3.32Å; S611-H621 WeakPolarHBondContact CB-ND1 3.46Å; D612-H621 PolarHBondContact N-CE1 3.29Å; D612-H621 PolarHBondContact N-ND1 2.83Å; D612-H621 VanDerWaalsContact N-ND1 3.17Å; D612-H621 IonicContact OD1-CE1 2.72Å; D612-H621 PolarHBondContact OD1-CE1 3.3Å
622	V	96.3	Very high	93.5	Very high	7 Å²	7	23.4 Å²	23.4	4%	0.042	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79	133.6	-177.1	-177.2	0	0	0	0	110.1	F508 T536 I608 P609 K610 L613	F508-V622 HydrophobicContact CE1-CG1 4.05Å; F508-V622 HydrophobicContact CZ-CB 4.41Å; F508-V622 HydrophobicContact CZ-CG1 3.8Å; F508-V622 HydrophobicContact CZ-CG2 3.82Å; T536-V622 HydrophobicContact CG2-CG1 3.43Å; T536-V622 VanDerWaalsContact CG2-CG1 3.43Å; I608-V622 WeakPolarHBondContact CA-O 3.35Å; I608-V622 WeakPolarHBondContact CG2-O 3.35Å; P609-V622 VanDerWaalsContact CD-O 3.28Å; P609-V622 WeakPolarHBondContact CD-O 3.03Å; P609-V622 HydrophobicContact CG-CG1 4.38Å; K610-V622 HydrophobicContact CB-CB 4.04Å; K610-V622 HydrophobicContact CB-CG2 3.92Å; K610-V622 HydrophobicContact CD-CG2 4.13Å; K610-V622 HydrophobicContact CG-CG2 4.19Å; K610-V622 WeakPolarHBondContact O-CB 3.42Å; K610-V622 PolarHBondContact O-N 2.97Å; L613-V622 HydrophobicContact CD1-CG2 3.86Å
623	V	94.6	Very high	93.5	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	147.6	174.9	-68	0	0	0	0	111.4	F533 A534 P535 T536 V603 I608 N625	F533-V623 HydrophobicContact CB-CG1 4.38Å; F533-V623 HydrophobicContact CB-CG2 4.45Å; F533-V623 HydrophobicContact CD1-CG1 4.37Å; A534-V623 PolarHBondContact O-N 3.08Å; P535-V623 VanDerWaalsContact CA-O 3.32Å; P535-V623 WeakPolarHBondContact CA-O 3.45Å; P535-V623 HydrophobicContact CB-CG2 4.16Å; T536-V623 PolarHBondContact N-O 2.94Å; V603-V623 HydrophobicContact CG1-CG1 3.72Å; I608-V623 HydrophobicContact CG1-CG1 3.76Å; V623-N625 WeakPolarHBondContact CG2-O 3.41Å
624	K	91.6	Very high	93.4	Very high	95 Å²	95	20.2 Å²	20.2	41%	0.413	11%	0.111	S	C	.	.	S	Bend	trans	-95.9	11.2	176.4	-67.5	-172.6	172.7	-90.3	0	114.2	E538 P609	E538-K624 IonicContact OE1-NZ 2.68Å; E538-K624 PolarHBondContact OE1-NZ 3.46Å; E538-K624 IonicContact OE2-NZ 2.7Å; E538-K624 PolarHBondContact OE2-NZ 3.39Å; P609-K624 HydrophobicContact CG-CD 4.45Å; P609-K624 HydrophobicContact CG-CG 4.14Å
625	N	90.9	Very high	93.1	Very high	46 Å²	46	20 Å²	20	25%	0.246	11%	0.113	C	C	.	.	S	Bend	trans	-141.9	144.2	178.4	-63.5	-105.8	0	0	0	108.9	V606 V623 L627 Y649	V606-N625 HydrophobicContact CG1-CB 4Å; V606-N625 HydrophobicContact CG2-CB 4.34Å; V623-N625 WeakPolarHBondContact CG2-O 3.41Å; N625-L627 PolarHBondContact O-N 3.25Å; N625-Y649 HydrophobicContact CB-CD1 4.48Å
626	V	94.1	Very high	92.9	Very high	3 Å²	3	24 Å²	24	2%	0.018	13%	0.128	C	C	.	.			trans	-68.6	128.1	168.2	-178.9	0	0	0	0	108.8	P535 A539 F540 I561 L646 I647	P535-V626 HydrophobicContact CB-CG2 4.39Å; A539-V626 HydrophobicContact CB-CG2 4.47Å; F540-V626 HydrophobicContact CD1-CG2 4.04Å; F540-V626 HydrophobicContact CE1-CG2 3.5Å; F540-V626 VanDerWaalsContact CE1-CG2 3.5Å; F540-V626 HydrophobicContact CE2-CG2 4.39Å; F540-V626 HydrophobicContact CZ-CG2 3.7Å; I561-V626 HydrophobicContact CG2-CG1 3.66Å; V626-L646 HydrophobicContact CB-CB 4.34Å; V626-L646 HydrophobicContact CB-CD1 4.36Å; V626-L646 HydrophobicContact CG2-CB 4.46Å; V626-L646 HydrophobicContact CG2-CD1 4.12Å; V626-L646 HydrophobicContact CG2-CD2 3.99Å; V626-L646 HydrophobicContact CG2-CG 4.43Å; V626-I647 WeakPolarHBondContact O-CG1 3.49Å
627	L	94.6	Very high	92.7	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	13%	0.132	C	C	.	.			trans	-83.9	139.3	179.2	-54.7	-179.3	0	0	0	110.9	F533 Y564 H565 L592 V603 V606 N625	F533-L627 HydrophobicContact CB-CD1 3.61Å; F533-L627 HydrophobicContact CD2-CD1 4.44Å; F533-L627 HydrophobicContact CG-CD1 3.96Å; Y564-L627 HydrophobicContact CD1-CB 4.06Å; Y564-L627 HydrophobicContact CE1-CB 4.28Å; H565-L627 PolarHBondContact CE1-N 2.84Å; H565-L627 PolarHBondContact CE1-O 3Å; H565-L627 PolarHBondContact NE2-N 3.03Å; L592-L627 HydrophobicContact CD2-CD1 4.03Å; V603-L627 HydrophobicContact CG1-CD1 3.94Å; V603-L627 HydrophobicContact CG1-CD2 4.02Å; V603-L627 HydrophobicContact CG2-CD1 3.85Å; V606-L627 HydrophobicContact CB-CD2 4.34Å; V606-L627 HydrophobicContact CG2-CD2 4.11Å; N625-L627 PolarHBondContact O-N 3.25Å
628	Y	94	Very high	92.6	Very high	1 Å²	1	28.1 Å²	28.1	0%	0.004	15%	0.148	C	C	.	.			trans	-144.6	145.5	179.4	-168.3	-94.5	0	0	0	111.6	I561 Y564 L632 P633 L643 I647 Y649 I650 I652 Y660	I561-Y628 HydrophobicContact CG1-CD2 4.08Å; I561-Y628 HydrophobicContact CG1-CE2 4.08Å; Y564-Y628 WeakPolarHBondContact CE1-O 3.26Å; Y628-L632 HydrophobicContact CE1-CB 4.24Å; Y628-L632 WeakPolarHBondContact CE1-O 3.38Å; Y628-L632 HydrophobicContact CE2-CD2 4.35Å; Y628-L632 PolarHBondContact OH-O 2.82Å; Y628-P633 PolarHBondContact OH-O 3.26Å; Y628-L643 HydrophobicContact CE2-CD1 4.12Å; Y628-I647 HydrophobicContact CD2-CD1 4.12Å; Y628-I647 HydrophobicContact CG-CD1 3.86Å; Y628-Y649 PolarHBondContact N-OH 2.84Å; Y628-Y649 PolarHBondContact O-OH 3.45Å; Y628-Y649 VanDerWaalsContact O-OH 3.14Å; Y628-I650 HydrophobicContact CD1-CD1 4.31Å; Y628-I650 WeakPolarHBondContact O-CD1 3.34Å; Y628-I652 HydrophobicContact CE1-CG2 4.17Å; Y628-Y660 PolarHBondContact OH-OH 3.08Å
629	P	91.2	Very high	92.3	Very high	2 Å²	2	28.2 Å²	28.2	1%	0.013	15%	0.149	C	C	.	.			trans	-77.9	124.6	-180	-3.6	19.3	0	0	0	111.5	Y564 K590 D631 L632	Y564-P629 HydrophobicContact CD1-CG 3.98Å; Y564-P629 HydrophobicContact CD2-CB 4.38Å; Y564-P629 HydrophobicContact CD2-CG 3.69Å; Y564-P629 HydrophobicContact CE1-CB 4.27Å; Y564-P629 HydrophobicContact CE1-CG 4.03Å; Y564-P629 HydrophobicContact CE2-CB 3.95Å; Y564-P629 HydrophobicContact CE2-CG 3.78Å; Y564-P629 HydrophobicContact CG-CG 3.81Å; K590-P629 HydrophobicContact CB-CB 3.91Å; K590-P629 HydrophobicContact CB-CG 4.17Å; K590-P629 HydrophobicContact CG-CB 3.93Å; K590-P629 HydrophobicContact CG-CG 4.2Å; P629-D631 PolarHBondContact O-N 2.74Å; P629-L632 HydrophobicContact CB-CB 3.94Å; P629-L632 HydrophobicContact CG-CB 3.9Å; P629-L632 HydrophobicContact CG-CD2 3.88Å; P629-L632 PolarHBondContact O-N 3.02Å; P629-L632 VanDerWaalsContact O-N 3.08Å
630	A	86.1	Confident	92.1	Very high	52 Å²	52	28.6 Å²	28.6	43%	0.43	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-66.1	-6.3	-176.2	0	0	0	0	0	115.7	I650	A630-I650 HydrophobicContact CB-CD1 4.01Å; A630-I650 HydrophobicContact CB-CG2 4.13Å
631	D	87	Confident	91.8	Very high	84 Å²	84	32.9 Å²	32.9	45%	0.449	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-115.4	2.8	176.1	76.4	-25.2	0	0	0	114.1	K590 P629 P633	K590-D631 VanDerWaalsContact CD-OD1 3.31Å; K590-D631 WeakPolarHBondContact CD-OD1 3.41Å; K590-D631 WeakPolarHBondContact CE-OD1 3.11Å; K590-D631 WeakPolarHBondContact CE-OD2 3.39Å; K590-D631 VanDerWaalsContact NZ-CG 3.3Å; K590-D631 IonicContact NZ-OD1 2.75Å; K590-D631 PolarHBondContact NZ-OD1 3.03Å; K590-D631 IonicContact NZ-OD2 3.22Å; K590-D631 PolarHBondContact NZ-OD2 3.35Å; P629-D631 PolarHBondContact O-N 2.74Å; D631-P633 WeakPolarHBondContact O-CD 3.29Å
632	L	89.8	Confident	91.6	Very high	16 Å²	16	33 Å²	33	8%	0.084	17%	0.174	C	C	.	.			trans	-90.5	112.7	174	-175	64.1	0	0	0	109.6	Y628 P629 F658 Y660	Y628-L632 HydrophobicContact CE1-CB 4.24Å; Y628-L632 WeakPolarHBondContact CE1-O 3.38Å; Y628-L632 HydrophobicContact CE2-CD2 4.35Å; Y628-L632 PolarHBondContact OH-O 2.82Å; P629-L632 HydrophobicContact CB-CB 3.94Å; P629-L632 HydrophobicContact CG-CB 3.9Å; P629-L632 HydrophobicContact CG-CD2 3.88Å; P629-L632 PolarHBondContact O-N 3.02Å; P629-L632 VanDerWaalsContact O-N 3.08Å; L632-F658 HydrophobicContact CD1-CE1 4.32Å; L632-F658 HydrophobicContact CD1-CZ 3.84Å; L632-Y660 HydrophobicContact CD2-CD1 4.22Å; L632-Y660 HydrophobicContact CD2-CE1 3.8Å; L632-Y660 HydrophobicContact CG-CE1 4.09Å
633	P	91.8	Very high	91.3	Very high	22 Å²	22	32.7 Å²	32.7	14%	0.143	17%	0.172	C	C	.	.			trans	-76.6	169.6	-178.6	32	-35.7	0	0	0	112.8	Y628 D631 K653 V655 F658	Y628-P633 PolarHBondContact OH-O 3.26Å; D631-P633 WeakPolarHBondContact O-CD 3.29Å; P633-K653 CarbonylContact C-O 3.2Å; P633-K653 WeakPolarHBondContact CA-O 3.4Å; P633-K653 HydrophobicContact CB-CB 4.38Å; P633-K653 WeakPolarHBondContact CB-O 3.5Å; P633-V655 HydrophobicContact CB-CB 3.87Å; P633-V655 HydrophobicContact CB-CG2 3.51Å; P633-V655 HydrophobicContact CG-CB 4.35Å; P633-V655 HydrophobicContact CG-CG2 4.14Å; P633-F658 HydrophobicContact CB-CG 4.5Å; P633-F658 HydrophobicContact CG-CB 4.48Å; P633-F658 HydrophobicContact CG-CD1 4.01Å; P633-F658 HydrophobicContact CG-CD2 3.72Å; P633-F658 HydrophobicContact CG-CE1 4.15Å; P633-F658 HydrophobicContact CG-CE2 3.87Å; P633-F658 HydrophobicContact CG-CG 3.79Å; P633-F658 HydrophobicContact CG-CZ 4.08Å; P633-F658 VanDerWaalsContact O-CD1 3.25Å; P633-F658 WeakPolarHBondContact O-CD1 3.3Å; P633-F658 WeakPolarHBondContact O-CE1 3.5Å
634	V	92.8	Very high	91.1	Very high	0 Å²	0	37 Å²	37	0%	0	19%	0.192	C	C	.	.	B	Isolated β-bridge	trans	-118.2	131.8	171.2	-170.9	0	0	0	0	108.3	R636 L639 L640 L643 I652 K653 F654 V655	V634-R636 WeakPolarHBondContact CG1-O 3.37Å; V634-L639 HydrophobicContact CG1-CB 4.14Å; V634-L639 HydrophobicContact CG1-CD2 4.06Å; V634-L639 HydrophobicContact CG1-CG 4Å; V634-L640 HydrophobicContact CB-CD1 4.26Å; V634-L640 HydrophobicContact CG1-CB 4.22Å; V634-L640 HydrophobicContact CG2-CD1 4.26Å; V634-L643 HydrophobicContact CG1-CD1 4.36Å; V634-L643 HydrophobicContact CG2-CD1 3.66Å; V634-I652 HydrophobicContact CG2-CG2 3.43Å; V634-I652 VanDerWaalsContact CG2-CG2 3.43Å; V634-K653 PolarHBondContact N-O 2.87Å; V634-F654 WeakPolarHBondContact O-CA 3.08Å; V634-F654 WeakPolarHBondContact O-CD2 3.28Å; V634-V655 PolarHBondContact O-N 3.2Å
635	G	88.4	Confident	91.1	Very high	13 Å²	13	36.3 Å²	36.3	13%	0.134	19%	0.189	C	C	.	.			trans	-102.3	0.1	179.7	0	0	0	0	0	116	V655 F658	G635-V655 WeakPolarHBondContact CA-O 3.35Å; G635-F658 WeakPolarHBondContact CA-O 3.18Å
636	R	92.3	Very high	90.9	Very high	84 Å²	84	34.4 Å²	34.4	32%	0.317	18%	0.179	S	C	.	.			trans	-118	124.4	-177.4	-96.4	-176.6	68.1	-175.6	7.9	110.2	D554 V634 D638 L639 L640	D554-R636 IonicContact OD2-CZ 3.31Å; D554-R636 IonicContact OD2-NH1 2.79Å; D554-R636 PolarHBondContact OD2-NH1 3.42Å; V634-R636 WeakPolarHBondContact CG1-O 3.37Å; R636-D638 VanDerWaalsContact CB-OD1 3.31Å; R636-D638 WeakPolarHBondContact CB-OD1 3.32Å; R636-D638 IonicContact CZ-OD1 2.93Å; R636-D638 IonicContact CZ-OD2 2.7Å; R636-D638 IonicContact NE-OD1 2.79Å; R636-D638 PolarHBondContact NE-OD1 2.8Å; R636-D638 IonicContact NE-OD2 2.71Å; R636-D638 PolarHBondContact NE-OD2 3.37Å; R636-D638 IonicContact NH2-OD1 3.54Å; R636-D638 IonicContact NH2-OD2 3.37Å; R636-D638 PolarHBondContact NH2-OD2 3.43Å; R636-L639 HydrophobicContact CB-CB 3.82Å; R636-L640 WeakPolarHBondContact O-CB 3.42Å; R636-L640 PolarHBondContact O-N 3.45Å
637	Q	90.9	Very high	90.7	Very high	100 Å²	100	34.5 Å²	34.5	47%	0.467	18%	0.179	S	C	.	.	H	α-helix	trans	-72.4	-34.1	-173.3	-174.7	62.2	33	0	0	112.6	L640 L641 F654	Q637-L640 PolarHBondContact O-N 3.47Å; Q637-L641 WeakPolarHBondContact O-CG 3.43Å; Q637-L641 PolarHBondContact O-N 2.89Å; Q637-F654 HydrophobicContact CB-CE2 4.45Å
638	D	91.3	Very high	90.2	Very high	64 Å²	64	42 Å²	42	34%	0.342	21%	0.212	S	C	.	.	H	α-helix	trans	-64.5	-49.8	173.5	54.5	-13	0	0	0	111	L550 R636 L640 L641 V642	L550-D638 HydrophobicContact CD2-CB 3.81Å; R636-D638 VanDerWaalsContact CB-OD1 3.31Å; R636-D638 WeakPolarHBondContact CB-OD1 3.32Å; R636-D638 IonicContact CZ-OD1 2.93Å; R636-D638 IonicContact CZ-OD2 2.7Å; R636-D638 IonicContact NE-OD1 2.79Å; R636-D638 PolarHBondContact NE-OD1 2.8Å; R636-D638 IonicContact NE-OD2 2.71Å; R636-D638 PolarHBondContact NE-OD2 3.37Å; R636-D638 IonicContact NH2-OD1 3.54Å; R636-D638 IonicContact NH2-OD2 3.37Å; R636-D638 PolarHBondContact NH2-OD2 3.43Å; D638-L640 VanDerWaalsContact C-N 3.31Å; D638-L640 PolarHBondContact O-N 3.01Å; D638-L641 PolarHBondContact O-N 2.97Å; D638-V642 PolarHBondContact O-N 2.91Å
639	L	90.4	Very high	89.9	Confident	1 Å²	1	44.6 Å²	44.6	1%	0.005	22%	0.222	C	C	.	.	H	α-helix	trans	-62.7	-35.7	175.3	-179.1	60.4	0	0	0	112.5	L551 A557 V634 R636 L641 V642 L643 Y660	L551-L639 HydrophobicContact CD2-CD1 3.72Å; A557-L639 HydrophobicContact CB-CD2 3.72Å; V634-L639 HydrophobicContact CG1-CB 4.14Å; V634-L639 HydrophobicContact CG1-CD2 4.06Å; V634-L639 HydrophobicContact CG1-CG 4Å; R636-L639 HydrophobicContact CB-CB 3.82Å; L639-L641 VanDerWaalsContact C-N 3.35Å; L639-L641 PolarHBondContact O-N 3.45Å; L639-V642 PolarHBondContact O-N 2.87Å; L639-L643 HydrophobicContact CD1-CD1 4.12Å; L639-L643 HydrophobicContact CD1-CG 4.13Å; L639-L643 HydrophobicContact CG-CD1 3.91Å; L639-L643 HydrophobicContact CG-CG 4.35Å; L639-L643 WeakPolarHBondContact O-CB 3.38Å; L639-L643 VanDerWaalsContact O-CG 3.3Å; L639-L643 WeakPolarHBondContact O-CG 3.46Å; L639-L643 PolarHBondContact O-N 2.83Å; L639-Y660 HydrophobicContact CD2-CE2 3.71Å
640	L	91.9	Very high	89.8	Confident	9 Å²	9	46.7 Å²	46.7	5%	0.047	23%	0.233	C	C	.	.	H	α-helix	trans	-59.9	-44.2	174.4	179.8	71.3	0	0	0	111.6	V634 R636 Q637 D638 L643 Q644 I652 F654	V634-L640 HydrophobicContact CB-CD1 4.26Å; V634-L640 HydrophobicContact CG1-CB 4.22Å; V634-L640 HydrophobicContact CG2-CD1 4.26Å; R636-L640 WeakPolarHBondContact O-CB 3.42Å; R636-L640 PolarHBondContact O-N 3.45Å; Q637-L640 PolarHBondContact O-N 3.47Å; D638-L640 VanDerWaalsContact C-N 3.31Å; D638-L640 PolarHBondContact O-N 3.01Å; L640-L643 PolarHBondContact O-N 2.63Å; L640-Q644 HydrophobicContact CD1-CG 4.49Å; L640-Q644 HydrophobicContact CG-CG 4.49Å; L640-Q644 WeakPolarHBondContact O-CB 3.4Å; L640-Q644 VanDerWaalsContact O-CG 3.27Å; L640-Q644 WeakPolarHBondContact O-CG 3.41Å; L640-Q644 PolarHBondContact O-N 3.1Å; L640-I652 HydrophobicContact CD1-CB 3.93Å; L640-I652 HydrophobicContact CD1-CG2 3.69Å; L640-F654 HydrophobicContact CD2-CB 3.91Å; L640-F654 HydrophobicContact CD2-CD2 3.94Å; L640-F654 HydrophobicContact CD2-CG 4.14Å
641	L	91.4	Very high	89.9	Confident	92 Å²	92	52.6 Å²	52.6	48%	0.482	25%	0.251	S	S	.	.	H	α-helix	trans	-64	-39.8	178.3	-69.3	167.7	0	0	0	111.7	Q637 D638 L639 Q644 K645	Q637-L641 WeakPolarHBondContact O-CG 3.43Å; Q637-L641 PolarHBondContact O-N 2.89Å; D638-L641 PolarHBondContact O-N 2.97Å; L639-L641 VanDerWaalsContact C-N 3.35Å; L639-L641 PolarHBondContact O-N 3.45Å; L641-Q644 PolarHBondContact O-N 3.15Å; L641-K645 WeakPolarHBondContact O-CG 3.35Å; L641-K645 PolarHBondContact O-N 2.9Å
642	V	91.6	Very high	90.1	Very high	2 Å²	2	49.2 Å²	49.2	1%	0.012	23%	0.233	C	C	.	.	H	α-helix	trans	-64.8	-45.6	174.6	178.9	0	0	0	0	111.5	L543 D547 L550 L551 D638 L639 Q644 K645 L646	L543-V642 HydrophobicContact CD1-CG1 3.99Å; L543-V642 HydrophobicContact CD2-CG1 3.86Å; D547-V642 HydrophobicContact CB-CG1 4.12Å; D547-V642 HydrophobicContact CB-CG2 3.99Å; D547-V642 WeakPolarHBondContact OD1-CG2 3.47Å; L550-V642 HydrophobicContact CD2-CG2 3.62Å; L551-V642 HydrophobicContact CD1-CG1 3.68Å; L551-V642 HydrophobicContact CD2-CG1 4.13Å; L551-V642 HydrophobicContact CG-CG1 3.76Å; D638-V642 PolarHBondContact O-N 2.91Å; L639-V642 PolarHBondContact O-N 2.87Å; V642-Q644 VanDerWaalsContact C-N 3.31Å; V642-Q644 PolarHBondContact O-N 2.84Å; V642-K645 WeakPolarHBondContact O-CB 3.44Å; V642-K645 PolarHBondContact O-N 3.5Å; V642-K645 VanDerWaalsContact O-N 3.12Å; V642-L646 PolarHBondContact O-N 3.28Å
643	L	90.6	Very high	90.1	Very high	0 Å²	0	54.2 Å²	54.2	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-66.3	-33	178.6	-67.5	171.3	0	0	0	112.1	L551 I561 Y628 V634 L639 L640 K645 L646 I647 I652	L551-L643 HydrophobicContact CD2-CD2 4.43Å; I561-L643 HydrophobicContact CD1-CD2 3.79Å; I561-L643 HydrophobicContact CG1-CD2 4.47Å; Y628-L643 HydrophobicContact CE2-CD1 4.12Å; V634-L643 HydrophobicContact CG1-CD1 4.36Å; V634-L643 HydrophobicContact CG2-CD1 3.66Å; L639-L643 HydrophobicContact CD1-CD1 4.12Å; L639-L643 HydrophobicContact CD1-CG 4.13Å; L639-L643 HydrophobicContact CG-CD1 3.91Å; L639-L643 HydrophobicContact CG-CG 4.35Å; L639-L643 WeakPolarHBondContact O-CB 3.38Å; L639-L643 VanDerWaalsContact O-CG 3.3Å; L639-L643 WeakPolarHBondContact O-CG 3.46Å; L639-L643 PolarHBondContact O-N 2.83Å; L640-L643 PolarHBondContact O-N 2.63Å; L643-K645 VanDerWaalsContact C-N 3.31Å; L643-K645 PolarHBondContact O-N 3.44Å; L643-L646 HydrophobicContact CD2-CD1 4.47Å; L643-L646 PolarHBondContact O-N 3.03Å; L643-I647 HydrophobicContact CB-CD1 4.01Å; L643-I647 HydrophobicContact CD2-CD1 3.78Å; L643-I647 HydrophobicContact CG-CD1 4.47Å; L643-I647 WeakPolarHBondContact O-CB 3.02Å; L643-I647 PolarHBondContact O-N 3.34Å; L643-I652 HydrophobicContact CB-CD1 3.54Å
644	Q	91.3	Very high	90.2	Very high	92 Å²	92	57.2 Å²	57.2	43%	0.43	27%	0.265	S	S	.	.	H	α-helix	trans	-67.7	-25.1	172.6	-75.6	173.6	-14.6	0	0	113.7	L640 L641 V642	L640-Q644 HydrophobicContact CD1-CG 4.49Å; L640-Q644 HydrophobicContact CG-CG 4.49Å; L640-Q644 WeakPolarHBondContact O-CB 3.4Å; L640-Q644 VanDerWaalsContact O-CG 3.27Å; L640-Q644 WeakPolarHBondContact O-CG 3.41Å; L640-Q644 PolarHBondContact O-N 3.1Å; L641-Q644 PolarHBondContact O-N 3.15Å; V642-Q644 VanDerWaalsContact C-N 3.31Å; V642-Q644 PolarHBondContact O-N 2.84Å
645	K	89.9	Confident	90.3	Very high	79 Å²	79	60.8 Å²	60.8	34%	0.343	29%	0.287	S	S	.	.	H	α-helix	trans	-70.3	-38	170.6	-69.7	168.1	173.8	179.6	0	112	A542 L543 D547 L641 V642 L643 K648	A542-K645 HydrophobicContact CB-CB 4.18Å; L543-K645 HydrophobicContact CD2-CB 3.65Å; L543-K645 HydrophobicContact CD2-CD 3.74Å; L543-K645 HydrophobicContact CD2-CG 4.36Å; D547-K645 IonicContact OD1-NZ 2.78Å; D547-K645 PolarHBondContact OD1-NZ 2.77Å; D547-K645 IonicContact OD2-NZ 2.76Å; D547-K645 PolarHBondContact OD2-NZ 3.26Å; L641-K645 WeakPolarHBondContact O-CG 3.35Å; L641-K645 PolarHBondContact O-N 2.9Å; V642-K645 WeakPolarHBondContact O-CB 3.44Å; V642-K645 PolarHBondContact O-N 3.5Å; V642-K645 VanDerWaalsContact O-N 3.12Å; L643-K645 VanDerWaalsContact C-N 3.31Å; L643-K645 PolarHBondContact O-N 3.44Å; K645-K648 WeakPolarHBondContact O-CE 3.19Å
646	L	87.4	Confident	90.4	Very high	6 Å²	6	65 Å²	65	3%	0.031	31%	0.314	C	S	.	.	H	α-helix	trans	-80.4	-48.4	-178.8	-68	174.4	0	0	0	113.4	A539 F540 L543 L551 V626 V642 L643	A539-L646 VanDerWaalsContact O-CD2 3.25Å; A539-L646 WeakPolarHBondContact O-CD2 3.29Å; F540-L646 HydrophobicContact CD1-CD2 3.98Å; L543-L646 HydrophobicContact CD1-CD1 4.12Å; L543-L646 HydrophobicContact CD1-CD2 3.8Å; L543-L646 HydrophobicContact CD1-CG 4.06Å; L543-L646 HydrophobicContact CD2-CD2 4.18Å; L543-L646 HydrophobicContact CD2-CG 4.12Å; L543-L646 HydrophobicContact CG-CD2 3.82Å; L543-L646 HydrophobicContact CG-CG 4.24Å; L551-L646 HydrophobicContact CD1-CD1 4.15Å; V626-L646 HydrophobicContact CB-CB 4.34Å; V626-L646 HydrophobicContact CB-CD1 4.36Å; V626-L646 HydrophobicContact CG2-CB 4.46Å; V626-L646 HydrophobicContact CG2-CD1 4.12Å; V626-L646 HydrophobicContact CG2-CD2 3.99Å; V626-L646 HydrophobicContact CG2-CG 4.43Å; V642-L646 PolarHBondContact O-N 3.28Å; L643-L646 HydrophobicContact CD2-CD1 4.47Å; L643-L646 PolarHBondContact O-N 3.03Å
647	I	89.1	Confident	90	Very high	5 Å²	5	64 Å²	64	3%	0.026	33%	0.33	C	S	.	.			trans	-107.4	92.7	-162.6	-62.6	141.3	0	0	0	109	V626 Y628 L643 Y649 I650 I652	V626-I647 WeakPolarHBondContact O-CG1 3.49Å; Y628-I647 HydrophobicContact CD2-CD1 4.12Å; Y628-I647 HydrophobicContact CG-CD1 3.86Å; L643-I647 HydrophobicContact CB-CD1 4.01Å; L643-I647 HydrophobicContact CD2-CD1 3.78Å; L643-I647 HydrophobicContact CG-CD1 4.47Å; L643-I647 WeakPolarHBondContact O-CB 3.02Å; L643-I647 PolarHBondContact O-N 3.34Å; I647-Y649 HydrophobicContact CG2-CD1 4.19Å; I647-Y649 HydrophobicContact CG2-CE1 3.81Å; I647-I650 HydrophobicContact CG2-CD1 3.9Å; I647-I650 HydrophobicContact CG2-CG1 3.39Å; I647-I652 HydrophobicContact CB-CD1 4.12Å; I647-I652 HydrophobicContact CD1-CD1 4Å; I647-I652 HydrophobicContact CG2-CD1 4.31Å; I647-I652 HydrophobicContact CG2-CG1 4.49Å
648	K	84.8	Confident	90.1	Very high	157 Å²	157	62.2 Å²	62.2	68%	0.683	32%	0.321	S	S	*	.			trans	-96.9	-5.1	-175.4	-62.8	169.6	-171.5	160.6	0	114	K645	K645-K648 WeakPolarHBondContact O-CE 3.19Å
649	Y	86.9	Confident	90	Very high	57 Å²	57	64.7 Å²	64.7	22%	0.224	34%	0.338	C	S	.	.	S	Bend	trans	-99.3	-6.3	-171.7	72.5	-92	0	0	0	114.4	N604 V606 N625 Y628 I647	N604-Y649 HydrophobicContact CB-CE2 3.95Å; V606-Y649 HydrophobicContact CG2-CD1 3.5Å; V606-Y649 HydrophobicContact CG2-CD2 3.98Å; V606-Y649 HydrophobicContact CG2-CE1 3.71Å; V606-Y649 HydrophobicContact CG2-CE2 4.21Å; V606-Y649 HydrophobicContact CG2-CG 3.68Å; N625-Y649 HydrophobicContact CB-CD1 4.48Å; Y628-Y649 PolarHBondContact N-OH 2.84Å; Y628-Y649 PolarHBondContact O-OH 3.45Å; Y628-Y649 VanDerWaalsContact O-OH 3.14Å; I647-Y649 HydrophobicContact CG2-CD1 4.19Å; I647-Y649 HydrophobicContact CG2-CE1 3.81Å
650	I	90	Very high	89.9	Confident	46 Å²	46	65.4 Å²	65.4	24%	0.236	34%	0.341	C	S	.	.	S	Bend	trans	-142.8	156.2	174.9	49.3	168	0	0	0	110.9	Y628 A630 I647	Y628-I650 HydrophobicContact CD1-CD1 4.31Å; Y628-I650 WeakPolarHBondContact O-CD1 3.34Å; A630-I650 HydrophobicContact CB-CD1 4.01Å; A630-I650 HydrophobicContact CB-CG2 4.13Å; I647-I650 HydrophobicContact CG2-CD1 3.9Å; I647-I650 HydrophobicContact CG2-CG1 3.39Å
651	E	88.5	Confident	89.6	Confident	176 Å²	176	68.2 Å²	68.2	82%	0.822	37%	0.365	S	S	*	.	P	Polyproline II helix	trans	-83.1	126.8	168.7	-174.1	179.7	-171.8	0	0	110.4
652	I	90.4	Very high	89.4	Confident	13 Å²	13	69.3 Å²	69.3	7%	0.067	37%	0.368	C	S	.	.	P	Polyproline II helix	trans	-92	125.2	-179	-52.5	-177.2	0	0	0	110.2	Y628 V634 L640 L643 I647	Y628-I652 HydrophobicContact CE1-CG2 4.17Å; V634-I652 HydrophobicContact CG2-CG2 3.43Å; V634-I652 VanDerWaalsContact CG2-CG2 3.43Å; L640-I652 HydrophobicContact CD1-CB 3.93Å; L640-I652 HydrophobicContact CD1-CG2 3.69Å; L643-I652 HydrophobicContact CB-CD1 3.54Å; I647-I652 HydrophobicContact CB-CD1 4.12Å; I647-I652 HydrophobicContact CD1-CD1 4Å; I647-I652 HydrophobicContact CG2-CD1 4.31Å; I647-I652 HydrophobicContact CG2-CG1 4.49Å
653	K	91	Very high	89.2	Confident	120 Å²	120	70.4 Å²	70.4	52%	0.522	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-79.1	123.4	-178.5	-64.1	175.2	-175.4	169.4	0	111.3	P633 V634	P633-K653 CarbonylContact C-O 3.2Å; P633-K653 WeakPolarHBondContact CA-O 3.4Å; P633-K653 HydrophobicContact CB-CB 4.38Å; P633-K653 WeakPolarHBondContact CB-O 3.5Å; V634-K653 PolarHBondContact N-O 2.87Å
654	F	93.4	Very high	88.8	Confident	85 Å²	85	74.5 Å²	74.5	37%	0.373	40%	0.4	S	S	.	.	B	Isolated β-bridge	trans	-87.8	131.5	169.5	-175.5	-109	0	0	0	111.2	V634 Q637 L640	V634-F654 WeakPolarHBondContact O-CA 3.08Å; V634-F654 WeakPolarHBondContact O-CD2 3.28Å; Q637-F654 HydrophobicContact CB-CE2 4.45Å; L640-F654 HydrophobicContact CD2-CB 3.91Å; L640-F654 HydrophobicContact CD2-CD2 3.94Å; L640-F654 HydrophobicContact CD2-CG 4.14Å
655	V	93.8	Very high	88.5	Confident	76 Å²	76	71.5 Å²	71.5	46%	0.461	39%	0.387	S	S	.	.			trans	-138	96.2	174.2	179.2	0	0	0	0	108.4	P633 V634 G635 G657 F658	P633-V655 HydrophobicContact CB-CB 3.87Å; P633-V655 HydrophobicContact CB-CG2 3.51Å; P633-V655 HydrophobicContact CG-CB 4.35Å; P633-V655 HydrophobicContact CG-CG2 4.14Å; V634-V655 PolarHBondContact O-N 3.2Å; G635-V655 WeakPolarHBondContact CA-O 3.35Å; V655-G657 PolarHBondContact O-N 3.48Å; V655-F658 HydrophobicContact CB-CB 4.22Å; V655-F658 HydrophobicContact CG1-CB 4.38Å; V655-F658 WeakPolarHBondContact O-CB 3.45Å; V655-F658 PolarHBondContact O-N 3.37Å
656	S	91.1	Very high	88	Confident	102 Å²	102	73.8 Å²	73.8	71%	0.713	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-47.4	128.4	-176.5	-171.9	0	0	0	0	112.6	F658	S656-F658 VanDerWaalsContact C-N 3.32Å; S656-F658 PolarHBondContact O-N 3.47Å
657	G	84.9	Confident	87.6	Confident	62 Å²	62	76.4 Å²	76.4	64%	0.639	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	-1.5	-179.3	0	0	0	0	0	115.7	V655	V655-G657 PolarHBondContact O-N 3.48Å
658	F	91.9	Very high	87.1	Confident	63 Å²	63	76.8 Å²	76.8	28%	0.276	42%	0.421	S	S	.	.			trans	-62.3	134.6	170.3	175.2	-96.5	0	0	0	111.6	L632 P633 G635 V655 S656 Y660	L632-F658 HydrophobicContact CD1-CE1 4.32Å; L632-F658 HydrophobicContact CD1-CZ 3.84Å; P633-F658 HydrophobicContact CB-CG 4.5Å; P633-F658 HydrophobicContact CG-CB 4.48Å; P633-F658 HydrophobicContact CG-CD1 4.01Å; P633-F658 HydrophobicContact CG-CD2 3.72Å; P633-F658 HydrophobicContact CG-CE1 4.15Å; P633-F658 HydrophobicContact CG-CE2 3.87Å; P633-F658 HydrophobicContact CG-CG 3.79Å; P633-F658 HydrophobicContact CG-CZ 4.08Å; P633-F658 VanDerWaalsContact O-CD1 3.25Å; P633-F658 WeakPolarHBondContact O-CD1 3.3Å; P633-F658 WeakPolarHBondContact O-CE1 3.5Å; G635-F658 WeakPolarHBondContact CA-O 3.18Å; V655-F658 HydrophobicContact CB-CB 4.22Å; V655-F658 HydrophobicContact CG1-CB 4.38Å; V655-F658 WeakPolarHBondContact O-CB 3.45Å; V655-F658 PolarHBondContact O-N 3.37Å; S656-F658 VanDerWaalsContact C-N 3.32Å; S656-F658 PolarHBondContact O-N 3.47Å; F658-Y660 HydrophobicContact CE1-CD1 4.09Å; F658-Y660 HydrophobicContact CE1-CE1 4.18Å; F658-Y660 HydrophobicContact CE1-CG 4.29Å
659	T	88.6	Confident	86.6	Confident	116 Å²	116	77.2 Å²	77.2	71%	0.712	42%	0.423	S	S	*	.			trans	-122.9	143.9	174.4	54.5	0	0	0	0	110.5
660	Y	89.9	Confident	85.7	Confident	15 Å²	15	81.7 Å²	81.7	6%	0.059	44%	0.439	C	S	.	.			trans	-69.9	134.8	-179.9	-70.3	-86.2	0	0	0	111.4	A557 N560 Y628 L632 L639 F658 E662	A557-Y660 HydrophobicContact CB-CD2 3.48Å; A557-Y660 VanDerWaalsContact CB-CD2 3.48Å; A557-Y660 HydrophobicContact CB-CE2 3.42Å; A557-Y660 VanDerWaalsContact CB-CE2 3.42Å; A557-Y660 HydrophobicContact CB-CG 4.17Å; N560-Y660 HydrophobicContact CB-CD1 3.82Å; N560-Y660 HydrophobicContact CB-CE1 4.36Å; Y628-Y660 PolarHBondContact OH-OH 3.08Å; L632-Y660 HydrophobicContact CD2-CD1 4.22Å; L632-Y660 HydrophobicContact CD2-CE1 3.8Å; L632-Y660 HydrophobicContact CG-CE1 4.09Å; L639-Y660 HydrophobicContact CD2-CE2 3.71Å; F658-Y660 HydrophobicContact CE1-CD1 4.09Å; F658-Y660 HydrophobicContact CE1-CE1 4.18Å; F658-Y660 HydrophobicContact CE1-CG 4.29Å; Y660-E662 PolarHBondContact O-N 3.45Å
661	A	85.9	Confident	84.2	Confident	68 Å²	68	86 Å²	86	56%	0.562	46%	0.462	S	S	*	.			trans	-60.1	135.8	172.1	0	0	0	0	0	110.4	N560 I663	N560-A661 PolarHBondContact ND2-O 2.56Å; A661-I663 PolarHBondContact O-N 3.35Å
662	E	87	Confident	82.5	Confident	116 Å²	116	84.3 Å²	84.3	54%	0.542	46%	0.457	S	S	.	.			trans	-79.1	108.1	176	-178.7	154.9	-150.2	0	0	109.7	K556 Y660 P664	K556-E662 HydrophobicContact CD-CB 4.33Å; K556-E662 VanDerWaalsContact CE-CD 3.47Å; K556-E662 WeakPolarHBondContact CE-OE2 3.45Å; K556-E662 IonicContact NZ-OE2 2.68Å; K556-E662 PolarHBondContact NZ-OE2 3.28Å; Y660-E662 PolarHBondContact O-N 3.45Å; E662-P664 WeakPolarHBondContact O-CD 3.2Å
663	I	86.8	Confident	80.4	Confident	25 Å²	25	89.3 Å²	89.3	13%	0.128	49%	0.488	C	S	.	.			trans	-78.9	118.5	179	-59.7	164.9	0	0	0	108.5	L563 Q588 A661 L665 F667	L563-I663 HydrophobicContact CD1-CB 4.16Å; L563-I663 HydrophobicContact CD1-CD1 3.87Å; L563-I663 HydrophobicContact CD1-CG2 3.79Å; Q588-I663 HydrophobicContact CB-CD1 4.43Å; Q588-I663 HydrophobicContact CG-CD1 4.14Å; A661-I663 PolarHBondContact O-N 3.35Å; I663-L665 PolarHBondContact O-N 2.92Å; I663-F667 HydrophobicContact CG2-CE1 4.49Å
664	P	82.3	Confident	78	Confident	86 Å²	86	88.7 Å²	88.7	56%	0.558	49%	0.494	S	S	*	.			trans	-72	127.4	177.2	29.9	-33.8	0	0	0	110	E662 T666	E662-P664 WeakPolarHBondContact O-CD 3.2Å; P664-T666 HydrophobicContact CB-CG2 4.27Å; P664-T666 PolarHBondContact O-N 2.8Å
665	L	84	Confident	75.7	Confident	28 Å²	28	89.2 Å²	89.2	15%	0.147	50%	0.504	C	S	.	.			trans	-80.9	36.8	-177.8	-54.5	-176.9	0	0	0	112.8	L520 L563 I663 F667 I668	L520-L665 HydrophobicContact CD2-CD1 4Å; L520-L665 HydrophobicContact CD2-CD2 3.5Å; L520-L665 HydrophobicContact CD2-CG 4.4Å; L563-L665 HydrophobicContact CD1-CD2 4.25Å; I663-L665 PolarHBondContact O-N 2.92Å; L665-F667 HydrophobicContact CD2-CE1 4.32Å; L665-F667 HydrophobicContact CD2-CZ 4Å; L665-F667 PolarHBondContact O-N 3.08Å; L665-I668 HydrophobicContact CB-CD1 4.41Å; L665-I668 PolarHBondContact O-N 3.03Å
666	T	80.3	Confident	73.2	Confident	128 Å²	128	96.1 Å²	96.1	79%	0.785	52%	0.522	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	-15.3	-174.9	43.8	0	0	0	0	114.2	P664 I668	P664-T666 HydrophobicContact CB-CG2 4.27Å; P664-T666 PolarHBondContact O-N 2.8Å; T666-I668 VanDerWaalsContact C-N 3.35Å
667	F	79.1	Confident	70.8	Confident	60 Å²	60	101.3 Å²	101.3	26%	0.263	53%	0.528	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.5	-12.3	171.9	55.1	-86.4	0	0	0	113.3	L523 L563 L587 I663 L665	L523-F667 HydrophobicContact CD1-CD2 4.03Å; L523-F667 HydrophobicContact CD1-CE2 3.96Å; L523-F667 HydrophobicContact CD2-CE2 4.29Å; L563-F667 HydrophobicContact CD1-CZ 4.11Å; L563-F667 HydrophobicContact CD2-CE2 4.22Å; L563-F667 HydrophobicContact CD2-CZ 3.84Å; L587-F667 HydrophobicContact CD1-CD2 4.37Å; L587-F667 HydrophobicContact CD1-CE2 3.9Å; L587-F667 HydrophobicContact CD1-CZ 4.37Å; I663-F667 HydrophobicContact CG2-CE1 4.49Å; L665-F667 HydrophobicContact CD2-CE1 4.32Å; L665-F667 HydrophobicContact CD2-CZ 4Å; L665-F667 PolarHBondContact O-N 3.08Å
668	I	79.5	Confident	68.8	Low	14 Å²	14	105 Å²	105	7%	0.072	53%	0.532	C	S	.	.	S	Bend	trans	-100.2	123	178.9	-60.9	-177.3	0	0	0	110.1	L520 D522 L523 L665 T666 R670	L520-I668 HydrophobicContact CD2-CD1 3.93Å; D522-I668 HydrophobicContact CB-CG2 3.41Å; D522-I668 VanDerWaalsContact CB-CG2 3.41Å; L523-I668 HydrophobicContact CB-CD1 4.22Å; L665-I668 HydrophobicContact CB-CD1 4.41Å; L665-I668 PolarHBondContact O-N 3.03Å; T666-I668 VanDerWaalsContact C-N 3.35Å; I668-R670 HydrophobicContact CG2-CG 4.43Å; I668-R670 PolarHBondContact O-N 2.73Å
669	K	74.5	Confident	66.4	Low	166 Å²	166	111.6 Å²	111.6	72%	0.722	56%	0.56	S	S	*	*			trans	-90.6	86.8	177.7	-66.8	178.4	-179.4	173.9	0	110.6	Q526 I671	Q526-K669 PolarHBondContact NE2-O 2.84Å; K669-I671 PolarHBondContact O-N 3.4Å
670	R	67.4	Low	63.9	Low	150 Å²	150	111.7 Å²	111.7	57%	0.566	56%	0.56	S	S	*	*			trans	-60.4	121	178.6	-72.5	-175.4	170.5	-162.2	-7.4	112.2	I668	I668-R670 HydrophobicContact CG2-CG 4.43Å; I668-R670 PolarHBondContact O-N 2.73Å
671	I	57.8	Low	61.6	Low	138 Å²	138	116.3 Å²	116.3	71%	0.708	59%	0.592	S	S	*	*			trans	-92.4	109.4	172.8	-59.5	173.9	0	0	0	108.4	K669 T673	K669-I671 PolarHBondContact O-N 3.4Å; I671-T673 PolarHBondContact O-N 3.42Å
672	I	53.7	Low	59.5	Low	140 Å²	140	122.4 Å²	122.4	72%	0.718	61%	0.609	S	S	*	*			trans	-98.3	85.9	-177.6	-53.4	179.1	0	0	0	110.3	T674	I672-T674 PolarHBondContact O-N 2.78Å; I672-T674 PolarHBondContact O-OG1 2.7Å
673	T	44.9	Very low	57	Low	117 Å²	117	123.6 Å²	123.6	72%	0.718	62%	0.624	S	S	*	*			trans	-69.5	98.1	176.4	-53.1	0	0	0	0	111	I671 T675	I671-T673 PolarHBondContact O-N 3.42Å; T673-T675 PolarHBondContact O-N 3.04Å
674	T	42.1	Very low	54.5	Low	108 Å²	108	131.9 Å²	131.9	66%	0.663	66%	0.662	S	S	*	*			trans	-91.6	88.9	-177.1	-54.9	0	0	0	0	111.6	I672 R676	I672-T674 PolarHBondContact O-N 2.78Å; I672-T674 PolarHBondContact O-OG1 2.7Å; T674-R676 PolarHBondContact O-N 2.85Å
675	T	44	Very low	52.2	Low	95 Å²	95	133.6 Å²	133.6	58%	0.583	67%	0.671	S	S	*	*			trans	-72	93.8	177.5	-48.5	0	0	0	0	111.5	T673 Y677	T673-T675 PolarHBondContact O-N 3.04Å; T675-Y677 HydrophobicContact CG2-CD2 4.28Å; T675-Y677 HydrophobicContact CG2-CE2 3.8Å; T675-Y677 PolarHBondContact O-N 2.98Å
676	R	40.6	Very low	49.6	Very low	221 Å²	221	139.2 Å²	139.2	83%	0.834	71%	0.706	S	S	*	*			trans	-78.5	100.6	172.8	-82.6	-173	170.8	-178.9	-1.7	111.3	T674 I678	T674-R676 PolarHBondContact O-N 2.85Å; R676-I678 PolarHBondContact O-N 2.78Å; R676-I678 VanDerWaalsContact O-N 3.17Å
677	Y	42.6	Very low	47.6	Very low	211 Å²	211	139.8 Å²	139.8	83%	0.827	70%	0.703	S	S	*	*			trans	-70.9	102.5	165.1	-67.5	-83	0	0	0	110.5	T675 K679	T675-Y677 HydrophobicContact CG2-CD2 4.28Å; T675-Y677 HydrophobicContact CG2-CE2 3.8Å; T675-Y677 PolarHBondContact O-N 2.98Å; Y677-K679 PolarHBondContact O-N 2.77Å
678	I	43	Very low	45.4	Very low	141 Å²	141	144.7 Å²	144.7	72%	0.723	73%	0.731	S	S	*	*			trans	-83.1	110.7	168.7	-57.8	177.9	0	0	0	107.7	R676 V680	R676-I678 PolarHBondContact O-N 2.78Å; R676-I678 VanDerWaalsContact O-N 3.17Å; I678-V680 HydrophobicContact CG2-CG2 4.12Å; I678-V680 PolarHBondContact O-N 3.32Å
679	K	39.9	Very low	43.3	Very low	201 Å²	201	152 Å²	152	87%	0.874	77%	0.765	S	S	*	*			trans	-73	109.8	164.7	-85.9	-168.4	171.7	-171.7	0	108.9	Y677	Y677-K679 PolarHBondContact O-N 2.77Å
680	V	37.7	Very low	41.1	Very low	117 Å²	117	153.5 Å²	153.5	71%	0.709	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-89.9	132.8	166.7	-173	0	0	0	0	107.8	I678	I678-V680 HydrophobicContact CG2-CG2 4.12Å; I678-V680 PolarHBondContact O-N 3.32Å
681	P	40.5	Very low	39.4	Very low	112 Å²	112	155.6 Å²	155.6	73%	0.727	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-68.5	149.9	170.7	-16.1	30.8	0	0	0	111.4
682	E	41.5	Very low	38.3	Very low	196 Å²	196	158 Å²	158	92%	0.916	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-72.4	129.1	177.1	-63.9	170.5	136.9	0	0	111.4
683	T	35.8	Very low	37.4	Very low	141 Å²	141	156.6 Å²	156.6	87%	0.865	80%	0.796	S	S	*	*			trans	-137.5	148.8	158.1	38.6	0	0	0	0	109.4
684	E	33.1	Very low	36.6	Very low	199 Å²	199	156.2 Å²	156.2	93%	0.93	80%	0.797	S	S	*	*			trans	-74.1	158.2	-164.8	-64.3	177.2	118.4	0	0	114.5
685	T	33.7	Very low	36	Very low	122 Å²	122	158.9 Å²	158.9	75%	0.748	81%	0.806	S	S	*	*			trans	-77.9	143.9	-170.8	52.7	0	0	0	0	114.5
686	V	30.8	Very low	35.2	Very low	146 Å²	146	163.6 Å²	163.6	89%	0.885	82%	0.819	S	S	*	*			trans	-123.6	131.4	146.6	-179.7	0	0	0	0	107.8
687	I	37	Very low	34.5	Very low	140 Å²	140	159.6 Å²	159.6	72%	0.718	82%	0.819	S	S	*	*			trans	-98.6	131.2	-172	-60.7	164.7	0	0	0	110.4
688	I	32.2	Very low	33.7	Very low	163 Å²	163	155.2 Å²	155.2	84%	0.836	81%	0.814	S	S	*	*			trans	-134.4	139.8	152.7	-58.1	-177.4	0	0	0	106.9
689	E	35.5	Very low	32.9	Very low	169 Å²	169	154.8 Å²	154.8	79%	0.79	82%	0.818	S	S	*	*			trans	-79	139	-172.3	-53.9	-178.1	140.3	0	0	113
690	E	29.7	Very low	32.3	Very low	196 Å²	196	151.3 Å²	151.3	92%	0.916	81%	0.814	S	S	*	*			trans	-122.9	136.2	158.5	-76.4	-159.7	141.2	0	0	111.3
691	K	31.1	Very low	31.8	Very low	194 Å²	194	151.8 Å²	151.8	84%	0.843	82%	0.817	S	S	*	*			trans	-96.8	138.5	168.8	-72.4	175.4	178.7	169.9	0	109.2
692	Q	34.3	Very low	31.3	Very low	189 Å²	189	154.4 Å²	154.4	88%	0.883	82%	0.823	S	S	*	*			trans	-56.3	150.7	169.3	-58.8	-178.2	-11.8	0	0	110.8
693	P	35.6	Very low	30.6	Very low	111 Å²	111	154.4 Å²	154.4	72%	0.721	82%	0.823	S	S	*	*				-148.9	150.5	95.8	38.8	-22.8	0	0	0	117.2
694	S	27.6	Very low	30.2	Very low	108 Å²	108	151.2 Å²	151.2	76%	0.755	82%	0.818	S	S	*	*			trans	34	118.2	146.8	65.7	0	0	0	0	121.1
695	I	29.2	Very low	30	Very low	165 Å²	165	151.8 Å²	151.8	85%	0.846	82%	0.817	S	S	*	*			trans	-80.5	132.9	162.3	-63.6	171.6	0	0	0	110.4
696	K	27	Very low	30.3	Very low	194 Å²	194	151.8 Å²	151.8	84%	0.843	82%	0.82	S	S	*	*			trans	-110.6	132.4	155	-83.3	-174	174.4	-178.9	0	108.7
697	T	26.7	Very low	30.2	Very low	137 Å²	137	150.3 Å²	150.3	84%	0.84	82%	0.816	S	S	*	*			trans	-68.5	133.2	178.6	-43.5	0	0	0	0	111.1
698	V	24.9	Very low	29.8	Very low	119 Å²	119	151.3 Å²	151.3	72%	0.721	82%	0.821	S	S	*	*			trans	-119.5	134.5	172.7	175	0	0	0	0	108.6
699	T	27.8	Very low	29.5	Very low	132 Å²	132	153.6 Å²	153.6	81%	0.81	83%	0.825	S	S	*	*			trans	-98.1	118.2	174	-37.7	0	0	0	0	109.1
700	T	26.3	Very low	29.1	Very low	128 Å²	128	154 Å²	154	79%	0.785	83%	0.827	S	S	*	*			trans	-96.3	137.3	-177.3	-55	0	0	0	0	111.6
701	V	27.4	Very low	28.9	Very low	127 Å²	127	151.3 Å²	151.3	77%	0.77	82%	0.823	S	S	*	*			trans	-107.7	147.3	175.9	176.2	0	0	0	0	109.5
702	I	29.2	Very low	28.7	Very low	167 Å²	167	147.9 Å²	147.9	86%	0.856	82%	0.819	S	S	*	*			trans	-82.4	135.8	177.5	-60.5	174.4	0	0	0	110.1
703	E	28.5	Very low	28.2	Very low	195 Å²	195	149.3 Å²	149.3	91%	0.911	82%	0.816	S	S	*	*			trans	-74.1	152.9	-176.1	-65	-166.8	115.7	0	0	114.9
704	G	27	Very low	27.8	Very low	75 Å²	75	149.9 Å²	149.9	77%	0.773	82%	0.817	S	S	*	*			trans	-144	20.8	-170.6	0	0	0	0	0	117.6
705	K	28.7	Very low	28	Very low	210 Å²	210	151.2 Å²	151.2	91%	0.913	81%	0.814	S	S	*	*			trans	71.5	151.2	178.2	-60.5	-179.2	176.7	177.6	0	117.6
706	P	40.2	Very low	27.8	Very low	123 Å²	123	152.6 Å²	152.6	80%	0.799	81%	0.814	S	S	*	*			trans	-119.8	163.5	-171.5	42.2	-31.7	0	0	0	115.7
707	S	28.3	Very low	28.3	Very low	114 Å²	114	148.9 Å²	148.9	80%	0.797	81%	0.81	S	S	*	*			trans	-169.6	99.3	136.9	51.3	0	0	0	0	114.3
708	I	27.6	Very low	28.5	Very low	161 Å²	161	147.5 Å²	147.5	83%	0.826	81%	0.813	S	S	*	*			trans	32.6	120.9	142.6	-49.6	173.3	0	0	0	119.6
709	K	26.9	Very low	28.7	Very low	211 Å²	211	145.8 Å²	145.8	92%	0.917	82%	0.819	S	S	*	*			trans	-145.1	142.4	130.5	-105.6	177	-173.8	178.9	0	110.3
710	Q	26.1	Very low	28.6	Very low	179 Å²	179	144.8 Å²	144.8	84%	0.836	82%	0.817	S	S	*	*			trans	-85.6	154.8	177.7	-65.3	173.9	-42.2	0	0	111.3
711	V	26.2	Very low	28.6	Very low	138 Å²	138	148.4 Å²	148.4	84%	0.836	82%	0.822	S	S	*	*				-179	148.8	104.8	152.3	0	0	0	0	110.2
712	T	27	Very low	28.5	Very low	123 Å²	123	148.8 Å²	148.8	76%	0.755	83%	0.825	S	S	*	*			trans	-69.9	145.9	-172.2	-37.3	0	0	0	0	114.1	V714	T712-V714 HydrophobicContact CG2-CG2 4.37Å
713	R	24.7	Very low	28.3	Very low	219 Å²	219	147.7 Å²	147.7	83%	0.826	83%	0.825	S	S	*	*			trans	-105	135.4	162.5	-170.3	-178.4	-170.7	-175.1	4.4	109.8
714	V	25.7	Very low	28.1	Very low	123 Å²	123	142.3 Å²	142.3	75%	0.745	81%	0.814	S	S	*	*			trans	-124.9	143	170.7	178.8	0	0	0	0	108.7	T712	T712-V714 HydrophobicContact CG2-CG2 4.37Å
715	I	32	Very low	28	Very low	135 Å²	135	147.4 Å²	147.4	69%	0.692	82%	0.818	S	S	*	*			trans	-117.5	134.7	177.1	-58.8	172.3	0	0	0	108.2
716	K	26.4	Very low	27.8	Very low	194 Å²	194	143.4 Å²	143.4	84%	0.843	81%	0.811	S	S	*	*			trans	-147.8	138.1	159.7	-78.4	-162.6	175.3	-174.3	0	110.5
717	P	37.4	Very low	27.1	Very low	116 Å²	116	143.6 Å²	143.6	75%	0.753	81%	0.805	S	S	*	*			trans	-99.6	161.2	169.9	37.5	-32.7	0	0	0	113
718	A	29.6	Very low	27.2	Very low	109 Å²	109	145.2 Å²	145.2	90%	0.901	80%	0.8	S	S	*	*			trans	50.7	127.4	154	0	0	0	0	0	121.1
719	G	28.9	Very low	27.3	Very low	83 Å²	83	142.5 Å²	142.5	86%	0.856	80%	0.795	S	S	*	*			trans	165	108.6	166.7	0	0	0	0	0	112.2
720	S	26.3	Very low	27.3	Very low	110 Å²	110	137 Å²	137	77%	0.769	78%	0.78	S	S	*	*			trans	-90.6	140.5	-171.9	57.7	0	0	0	0	114.1
721	K	26.6	Very low	27.3	Very low	205 Å²	205	137.4 Å²	137.4	89%	0.891	78%	0.779	S	S	*	*				-172.4	151.5	118.9	-104.8	170.9	-176.2	-178.6	0	115.2
722	V	24.5	Very low	27.3	Very low	135 Å²	135	136.6 Å²	136.6	82%	0.818	77%	0.774	S	S	*	*			trans	-48.9	140.8	175.1	177.2	0	0	0	0	115.1
723	V	25.5	Very low	27.1	Very low	144 Å²	144	136.4 Å²	136.4	87%	0.873	77%	0.773	S	S	*	*				-164.4	157.6	126.9	142.8	0	0	0	0	108.2
724	A	24.1	Very low	27.3	Very low	82 Å²	82	132.6 Å²	132.6	68%	0.678	77%	0.774	S	S	*	*			trans	-104.9	155.3	-167.6	0	0	0	0	0	114.2
725	E	24.4	Very low	27.3	Very low	181 Å²	181	137.3 Å²	137.3	85%	0.846	78%	0.778	S	S	*	*			trans	173.5	129.7	133.1	-91	173.6	157.4	0	0	106.3
726	V	24.9	Very low	26.9	Very low	127 Å²	127	136 Å²	136	77%	0.77	78%	0.776	S	S	*	*				62.4	120.6	67.1	-178	0	0	0	0	109.4
727	D	26.8	Very low	27	Very low	126 Å²	126	134.3 Å²	134.3	67%	0.674	78%	0.775	S	S	*	*			cis	-147.8	-176	37.7	-153.9	8.3	0	0	0	116.6
728	Q	29.6	Very low	26.3	Very low	149 Å²	149	132.4 Å²	132.4	70%	0.696	78%	0.776	S	S	*	*			trans	-44.6	161.8	170.1	-66.4	158.8	78.5	0	0	115.1
729	S	30.1	Very low	26.1	Very low	104 Å²	104	138.3 Å²	138.3	73%	0.727	78%	0.775	S	S	*	*				-167.6	123.9	54.7	43	0	0	0	0	117.4
730	T	25.8	Very low	26.1	Very low	96 Å²	96	142.6 Å²	142.6	59%	0.589	77%	0.773	S	S	*	*			trans	34.4	123.8	132.9	60.6	0	0	0	0	124.1
731	K	27.2	Very low	26.4	Very low	187 Å²	187	143.5 Å²	143.5	81%	0.813	78%	0.776	S	S	*	*				67.9	155.1	125.1	-59.8	169.4	-174.9	171.8	0	117.2
732	T	26.3	Very low	26.5	Very low	121 Å²	121	138.7 Å²	138.7	74%	0.742	77%	0.768	S	S	*	*			cis	-148.5	135	29.5	-8.6	0	0	0	0	109
733	V	22.8	Very low	26.4	Very low	119 Å²	119	140 Å²	140	72%	0.721	77%	0.767	S	S	*	*				59	122.2	104.6	178.2	0	0	0	0	113.7
734	T	28	Very low	26.3	Very low	138 Å²	138	137.9 Å²	137.9	85%	0.847	76%	0.758	S	S	*	*				-141.4	140.3	80.4	-34	0	0	0	0	118.4
735	R	25.9	Very low	26.3	Very low	222 Å²	222	143.5 Å²	143.5	84%	0.838	77%	0.768	S	S	*	*			trans	-42.6	165.3	153.1	-93	-176.9	152.8	173.4	-7.8	116
736	V	24.8	Very low	26.2	Very low	108 Å²	108	140.9 Å²	140.9	66%	0.655	76%	0.764	S	S	*	*			cis	-170.7	156.3	-19.3	94.7	0	0	0	0	111.6
737	I	26.6	Very low	26.2	Very low	159 Å²	159	140.3 Å²	140.3	82%	0.815	76%	0.761	S	S	*	*			trans	29.6	129.2	157.3	-58.8	150.8	0	0	0	121.3
738	G	23.6	Very low	26.1	Very low	75 Å²	75	146.2 Å²	146.2	77%	0.773	77%	0.774	S	S	*	*			trans	-166.5	127.1	159.1	0	0	0	0	0	114.1
739	R	24.7	Very low	25.9	Very low	233 Å²	233	145.8 Å²	145.8	88%	0.879	78%	0.775	S	S	*	*			trans	-61.6	158	-170.1	-84.5	174.5	164.5	158.8	-5.7	117.8
740	Q	29.1	Very low	25.8	Very low	174 Å²	174	149 Å²	149	81%	0.813	78%	0.782	S	S	*	*			trans	3.5	153.7	137.8	-75	174.2	-39.5	0	0	119.5
741	P	33.9	Very low	25.8	Very low	128 Å²	128	147.8 Å²	147.8	83%	0.831	79%	0.789	S	S	*	*			cis	-144.4	-145.1	38.7	43.6	-22.5	0	0	0	115.6
742	S	27.4	Very low	25.7	Very low	104 Å²	104	143.1 Å²	143.1	73%	0.727	79%	0.794	S	S	*	*			trans	-108.3	178.3	-166.9	56.1	0	0	0	0	115.6
743	M	23.3	Very low	25.7	Very low	164 Å²	164	140.8 Å²	140.8	81%	0.808	79%	0.794	S	S	*	*			trans	95	102.3	156.5	-68.2	-92.5	-78.3	0	0	121.5
744	S	23.2	Very low	26.1	Very low	98 Å²	98	144.3 Å²	144.3	69%	0.685	80%	0.803	S	S	*	*				93.6	132	119.9	79.3	0	0	0	0	124.2
745	K	23.7	Very low	26.1	Very low	200 Å²	200	144.2 Å²	144.2	87%	0.87	80%	0.797	S	S	*	*			trans	73.3	159.4	141.5	-84.3	-174.1	174.2	179.5	0	123.3
746	V	23.2	Very low	26.2	Very low	126 Å²	126	143.3 Å²	143.3	76%	0.764	79%	0.793	S	S	*	*			trans	102.8	86.5	159	-165.6	0	0	0	0	119.2
747	T	25.1	Very low	26.2	Very low	116 Å²	116	144 Å²	144	71%	0.712	80%	0.798	S	S	*	*				47.2	132	119.7	-41.6	0	0	0	0	123	I749	T747-I749 HydrophobicContact CG2-CD1 4.28Å; T747-I749 HydrophobicContact CG2-CG1 4.16Å
748	R	24.5	Very low	26.1	Very low	249 Å²	249	141 Å²	141	94%	0.94	79%	0.791	S	S	*	*			trans	-146	164.4	137.3	-141.9	170.8	-174.3	169.3	3	112.4
749	I	25.2	Very low	26.1	Very low	140 Å²	140	148.5 Å²	148.5	72%	0.718	80%	0.796	S	S	*	*			trans	-135.6	150.8	-164.5	-65.8	165.4	0	0	0	110.4	T747	T747-I749 HydrophobicContact CG2-CD1 4.28Å; T747-I749 HydrophobicContact CG2-CG1 4.16Å
750	I	28.5	Very low	26	Very low	171 Å²	171	148.7 Å²	148.7	88%	0.877	80%	0.797	S	S	*	*			trans	168.2	143	150.4	-86.7	148.5	0	0	0	107.2
751	G	24.9	Very low	25.7	Very low	71 Å²	71	149.8 Å²	149.8	73%	0.732	79%	0.793	S	S	*	*			cis	157.8	114.7	-11.1	0	0	0	0	0	113.6
752	G	25.8	Very low	25.3	Very low	89 Å²	89	149.6 Å²	149.6	92%	0.918	79%	0.79	S	S	*	*			trans	79.3	161.1	177.5	0	0	0	0	0	115.9
753	G	26.4	Very low	25.2	Very low	73 Å²	73	150.8 Å²	150.8	75%	0.753	78%	0.784	S	S	*	*			cis	140	145.6	-10.2	0	0	0	0	0	114
754	E	29.9	Very low	25.3	Very low	193 Å²	193	149.2 Å²	149.2	90%	0.902	78%	0.784	S	S	*	*			cis	-157.6	142.4	-11.2	-65.3	-166.1	93.7	0	0	112.5
755	D	28.1	Very low	25.4	Very low	135 Å²	135	148.9 Å²	148.9	72%	0.722	78%	0.782	S	S	*	*			trans	63.5	158.7	147.9	-159.8	29.6	0	0	0	124.3
756	R	28.4	Very low	25.5	Very low	204 Å²	204	148 Å²	148	77%	0.77	78%	0.781	S	S	*	*			trans	113.2	83.9	148.5	-62.3	-157.4	160.5	-166.3	-7.3	124.9
757	T	25.3	Very low	25.6	Very low	122 Å²	122	147 Å²	147	75%	0.748	78%	0.775	S	S	*	*				63.4	135.1	121.7	64	0	0	0	0	125
758	S	24.5	Very low	25.6	Very low	97 Å²	97	147.3 Å²	147.3	68%	0.678	78%	0.777	S	S	*	*				119.9	101.1	121.6	-173	0	0	0	0	123
759	R	23.6	Very low	25.6	Very low	231 Å²	231	142.3 Å²	142.3	87%	0.872	77%	0.767	S	S	*	*				69.7	143.7	129.6	-66.6	177.1	163.2	177.4	-3.8	124.9
760	R	22.8	Very low	25.7	Very low	238 Å²	238	141.6 Å²	141.6	90%	0.898	77%	0.77	S	S	*	*			trans	67.1	140.9	159.8	-73.3	-177.6	168.6	175.7	-5.7	116.8
761	R	22.3	Very low	25.5	Very low	196 Å²	196	138.9 Å²	138.9	74%	0.74	76%	0.761	S	S	*	*			cis	94.2	98.2	19	-167.6	-163	173.5	178.7	-1.8	116.5	E763	R761-E763 IonicContact CZ-OE1 3.43Å; R761-E763 VanDerWaalsContact CZ-OE1 3.31Å; R761-E763 IonicContact NE-OE1 3.54Å; R761-E763 PolarHBondContact NE-OE1 2.92Å; R761-E763 IonicContact NH2-OE1 3.53Å; R761-E763 PolarHBondContact NH2-OE1 3.44Å; R761-E763 IonicContact NH2-OE2 2.63Å
762	T	24.8	Very low	25.6	Very low	124 Å²	124	142.5 Å²	142.5	76%	0.761	77%	0.769	S	S	*	*			trans	-173.6	140.3	137.2	30	0	0	0	0	106.1
763	E	25.3	Very low	25.7	Very low	130 Å²	130	145.2 Å²	145.2	61%	0.607	76%	0.762	S	S	*	*			cis	68.8	128.4	49	-65.3	168.1	-138.6	0	0	111.6	R761	R761-E763 IonicContact CZ-OE1 3.43Å; R761-E763 VanDerWaalsContact CZ-OE1 3.31Å; R761-E763 IonicContact NE-OE1 3.54Å; R761-E763 PolarHBondContact NE-OE1 2.92Å; R761-E763 IonicContact NH2-OE1 3.53Å; R761-E763 PolarHBondContact NH2-OE1 3.44Å; R761-E763 IonicContact NH2-OE2 2.63Å
764	T	24.7	Very low	25.7	Very low	131 Å²	131	150.5 Å²	150.5	80%	0.804	77%	0.768	S	S	*	*			cis	-133.4	-157.7	1.3	52.6	0	0	0	0	109
765	S	25.9	Very low	25.7	Very low	91 Å²	91	147.6 Å²	147.6	64%	0.636	77%	0.765	S	S	*	*			cis	-165	148.5	6.3	48.5	0	0	0	0	111.9
766	E	26.1	Very low	25.7	Very low	181 Å²	181	149.7 Å²	149.7	85%	0.846	77%	0.771	S	S	*	*			trans	62.1	146.1	143.2	-68	-178.7	-171.6	0	0	122.4
767	T	24.9	Very low	25.8	Very low	104 Å²	104	148 Å²	148	64%	0.638	78%	0.775	S	S	*	*			cis	-150.7	147.9	-4.6	1.9	0	0	0	0	112.7
768	T	25.5	Very low	26	Very low	123 Å²	123	149.6 Å²	149.6	76%	0.755	78%	0.777	S	S	*	*			trans	57.8	173.8	155.3	58.3	0	0	0	0	117.5
769	I	25.6	Very low	26.3	Very low	144 Å²	144	149.2 Å²	149.2	74%	0.738	78%	0.78	S	S	*	*			cis	-151.2	146.8	-30.4	-110.5	168.8	0	0	0	105.6
770	T	25.7	Very low	26.7	Very low	125 Å²	125	144.6 Å²	144.6	77%	0.767	78%	0.777	S	S	*	*				-154.1	-144.3	55.1	-33.8	0	0	0	0	110.7
771	T	24.6	Very low	27.3	Very low	115 Å²	115	138.3 Å²	138.3	71%	0.706	77%	0.767	S	S	*	*			trans	-146.5	149.2	174.8	52.1	0	0	0	0	112.1
772	V	26.3	Very low	27.8	Very low	147 Å²	147	135.1 Å²	135.1	89%	0.891	77%	0.765	S	S	*	*			trans	-152.1	147.8	134.4	177	0	0	0	0	106.8
773	N	28.1	Very low	28.2	Very low	146 Å²	146	135.9 Å²	135.9	78%	0.781	76%	0.764	S	S	*	*			trans	-106	147.6	-171.2	-60.4	-31.2	0	0	0	114.3
774	E	27.4	Very low	28.6	Very low	184 Å²	184	133.4 Å²	133.4	86%	0.86	76%	0.761	S	S	*	*	P	Polyproline II helix	trans	-101.7	152.6	154.9	-68.6	-173.2	135.3	0	0	110.5
775	P	30.3	Very low	29.1	Very low	131 Å²	131	135.7 Å²	135.7	85%	0.851	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-78.3	132	176.6	31.3	-33.6	0	0	0	112.3
776	Q	27.3	Very low	29.2	Very low	179 Å²	179	138.2 Å²	138.2	84%	0.836	76%	0.764	S	S	*	*	P	Polyproline II helix	trans	-80.5	143.1	-179.3	-69.1	-176.4	-19.7	0	0	113.5
777	I	29.9	Very low	29.4	Very low	170 Å²	170	136 Å²	136	87%	0.872	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-75.2	124	162.6	-62	169	0	0	0	108.2
778	I	29.5	Very low	29.6	Very low	154 Å²	154	135.7 Å²	135.7	79%	0.79	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-97.8	135.1	172.2	-63.2	178.8	0	0	0	109.2
779	A	31.5	Very low	29.7	Very low	89 Å²	89	139.7 Å²	139.7	74%	0.736	77%	0.773	S	S	*	*	P	Polyproline II helix	trans	-74.9	154.1	-173.9	0	0	0	0	0	113.8
780	V	33	Very low	29.9	Very low	134 Å²	134	135.8 Å²	135.8	81%	0.812	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-71.3	139.6	173.8	-178.3	0	0	0	0	110.3	D782	V780-D782 PolarHBondContact O-N 3.37Å
781	P	33.7	Very low	30.3	Very low	106 Å²	106	137.9 Å²	137.9	69%	0.688	78%	0.775	S	S	*	*	P	Polyproline II helix	trans	-66.6	129.1	170.6	-18.6	32	0	0	0	111.9	L783	P781-L783 PolarHBondContact O-N 2.96Å
782	D	32.8	Very low	30.9	Very low	129 Å²	129	137.5 Å²	137.5	69%	0.69	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-67.5	122.5	168.8	174.9	20.2	0	0	0	110.4	V780 S784	V780-D782 PolarHBondContact O-N 3.37Å; D782-S784 WeakPolarHBondContact OD1-CB 3.36Å; D782-S784 PolarHBondContact OD1-N 3.5Å; D782-S784 PolarHBondContact OD1-OG 2.89Å; D782-S784 PolarHBondContact OD2-OG 2.88Å
783	L	33.8	Very low	31.6	Very low	141 Å²	141	135.7 Å²	135.7	74%	0.738	76%	0.759	S	S	*	*			trans	-93.8	10.7	180	-79	167.2	0	0	0	113.6	P781 K785	P781-L783 PolarHBondContact O-N 2.96Å; L783-K785 PolarHBondContact O-N 3.43Å
784	S	33.8	Very low	32.2	Very low	77 Å²	77	132.1 Å²	132.1	54%	0.538	75%	0.75	S	S	.	*			trans	-63.2	-1.1	179.3	71.9	0	0	0	0	116	D782	D782-S784 WeakPolarHBondContact OD1-CB 3.36Å; D782-S784 PolarHBondContact OD1-N 3.5Å; D782-S784 PolarHBondContact OD1-OG 2.89Å; D782-S784 PolarHBondContact OD2-OG 2.88Å
785	K	34.3	Very low	32.9	Very low	180 Å²	180	128.4 Å²	128.4	78%	0.783	74%	0.736	S	S	*	*			trans	-135.1	66.7	-172.8	-68	-175.6	-179	173.9	0	115	L783	L783-K785 PolarHBondContact O-N 3.43Å
786	I	29.2	Very low	33.3	Very low	144 Å²	144	128.4 Å²	128.4	74%	0.738	73%	0.728	S	S	*	*			trans	-130.4	98.6	154.5	-57.3	-178.8	0	0	0	108.4
787	T	29.2	Very low	33.9	Very low	134 Å²	134	126.9 Å²	126.9	82%	0.822	73%	0.725	S	S	*	*			trans	-143.2	86.7	-178.6	54.7	0	0	0	0	113.5
788	S	30.3	Very low	34.5	Very low	97 Å²	97	124.2 Å²	124.2	68%	0.678	71%	0.709	S	S	*	*			trans	-161.5	146.8	146.8	55.6	0	0	0	0	106.6
789	F	28.3	Very low	34.9	Very low	208 Å²	208	122.2 Å²	122.2	91%	0.912	70%	0.697	S	S	*	*			cis	-114.3	165.8	5.7	-56.9	-108.2	0	0	0	108.1
790	G	29.7	Very low	35.4	Very low	62 Å²	62	121.2 Å²	121.2	64%	0.639	68%	0.684	S	S	*	*			cis	132.9	85.1	4.4	0	0	0	0	0	110.6
791	D	33.1	Very low	35.8	Very low	169 Å²	169	116.7 Å²	116.7	90%	0.904	67%	0.665	S	S	*	*			trans	-169.7	131.9	140.5	-100.3	-23.6	0	0	0	113.4
792	N	38	Very low	36.2	Very low	107 Å²	107	116.3 Å²	116.3	57%	0.572	65%	0.652	S	S	*	*			trans	21.9	101.9	165	-162.1	-0.6	0	0	0	121	A794	N792-A794 VanDerWaalsContact C-N 3.29Å; N792-A794 PolarHBondContact O-N 3.15Å; N792-A794 WeakPolarHBondContact OD1-CB 3.44Å; N792-A794 PolarHBondContact OD1-N 3.42Å; N792-A794 VanDerWaalsContact OD1-N 3.11Å
793	P	39.8	Very low	36.6	Very low	108 Å²	108	114.9 Å²	114.9	70%	0.701	64%	0.643	S	S	*	*	G	3₁₀ helix	trans	-76.2	-0.8	176.3	32.4	-36.3	0	0	0	115.6	L795	P793-L795 VanDerWaalsContact C-N 3.32Å; P793-L795 PolarHBondContact O-N 2.88Å
794	A	42.1	Very low	36.9	Very low	71 Å²	71	111.8 Å²	111.8	59%	0.587	63%	0.631	S	S	*	*	G	3₁₀ helix	trans	-68	-23.8	-172.3	0	0	0	0	0	115	N792	N792-A794 VanDerWaalsContact C-N 3.29Å; N792-A794 PolarHBondContact O-N 3.15Å; N792-A794 WeakPolarHBondContact OD1-CB 3.44Å; N792-A794 PolarHBondContact OD1-N 3.42Å; N792-A794 VanDerWaalsContact OD1-N 3.11Å
795	L	40.8	Very low	37.1	Very low	107 Å²	107	117.2 Å²	117.2	56%	0.56	64%	0.639	S	S	*	*	G	3₁₀ helix	trans	-80.6	-23.5	-172.6	-76.1	163.8	0	0	0	114.6	P793 N797 E798 E799	P793-L795 VanDerWaalsContact C-N 3.32Å; P793-L795 PolarHBondContact O-N 2.88Å; L795-N797 VanDerWaalsContact C-N 3.31Å; L795-N797 PolarHBondContact O-N 3.32Å; L795-E798 PolarHBondContact O-N 3.09Å; L795-E798 VanDerWaalsContact O-N 3.11Å; L795-E799 PolarHBondContact O-N 3.17Å
796	L	38.5	Very low	37.3	Very low	131 Å²	131	115.4 Å²	115.4	69%	0.686	64%	0.637	S	S	*	*	H	α-helix	trans	-63.1	-34.8	-173	-76.3	164.1	0	0	0	113.4	S800	L796-S800 WeakPolarHBondContact O-CB 3.2Å; L796-S800 PolarHBondContact O-N 3.43Å
797	N	40.2	Very low	37.9	Very low	146 Å²	146	115 Å²	115	78%	0.781	64%	0.635	S	S	*	*	H	α-helix	trans	-75.7	-23.9	178.3	-72.4	-19.2	0	0	0	112.9	L795	L795-N797 VanDerWaalsContact C-N 3.31Å; L795-N797 PolarHBondContact O-N 3.32Å
798	E	42.9	Very low	38.2	Very low	114 Å²	114	116.1 Å²	116.1	53%	0.533	63%	0.631	S	S	.	*	H	α-helix	trans	-85.3	-30.1	-179.4	-148.6	-162.1	126.4	0	0	112.6	L795 K802	L795-E798 PolarHBondContact O-N 3.09Å; L795-E798 VanDerWaalsContact O-N 3.11Å; E798-K802 WeakPolarHBondContact O-CD 3.28Å; E798-K802 WeakPolarHBondContact O-CG 3.21Å; E798-K802 IonicContact OE1-NZ 3.77Å; E798-K802 PolarHBondContact OE1-NZ 2.92Å
799	E	38.8	Very low	38.5	Very low	113 Å²	113	119.7 Å²	119.7	53%	0.528	64%	0.637	S	S	.	*	H	α-helix	trans	-75.9	-41.9	174.7	-67.6	-94	101.9	0	0	111.8	L795 G801 K802 I803	L795-E799 PolarHBondContact O-N 3.17Å; E799-G801 VanDerWaalsContact C-N 3.27Å; E799-G801 PolarHBondContact O-N 2.93Å; E799-K802 WeakPolarHBondContact O-CB 3.26Å; E799-K802 PolarHBondContact O-N 2.88Å; E799-I803 PolarHBondContact O-N 3.09Å
800	S	40.2	Very low	38.7	Very low	68 Å²	68	113.7 Å²	113.7	48%	0.476	63%	0.634	S	S	.	*	H	α-helix	trans	-57.4	-39.2	177.2	-175.5	0	0	0	0	112.6	L796 K802 T804	L796-S800 WeakPolarHBondContact O-CB 3.2Å; L796-S800 PolarHBondContact O-N 3.43Å; S800-K802 VanDerWaalsContact C-N 3.32Å; S800-K802 PolarHBondContact O-N 3.4Å; S800-T804 PolarHBondContact O-N 3.42Å; S800-T804 VanDerWaalsContact O-N 3.12Å; S800-T804 PolarHBondContact O-OG1 2.8Å
801	G	43.2	Very low	38.7	Very low	39 Å²	39	114.5 Å²	114.5	40%	0.402	64%	0.643	S	S	.	*	H	α-helix	trans	-66.7	-26.5	174.3	0	0	0	0	0	114.6	E799	E799-G801 VanDerWaalsContact C-N 3.27Å; E799-G801 PolarHBondContact O-N 2.93Å
802	K	40.8	Very low	38.8	Very low	97 Å²	97	109.9 Å²	109.9	42%	0.422	64%	0.635	S	S	.	*	H	α-helix	trans	-79.3	-44.2	176.4	-69	163.5	-172.2	156.8	0	111.2	E798 E799 S800 T804 R805 L806	E798-K802 WeakPolarHBondContact O-CD 3.28Å; E798-K802 WeakPolarHBondContact O-CG 3.21Å; E798-K802 IonicContact OE1-NZ 3.77Å; E798-K802 PolarHBondContact OE1-NZ 2.92Å; E799-K802 WeakPolarHBondContact O-CB 3.26Å; E799-K802 PolarHBondContact O-N 2.88Å; S800-K802 VanDerWaalsContact C-N 3.32Å; S800-K802 PolarHBondContact O-N 3.4Å; K802-T804 VanDerWaalsContact C-N 3.32Å; K802-T804 PolarHBondContact O-N 3.03Å; K802-R805 PolarHBondContact O-N 3.29Å; K802-L806 PolarHBondContact O-N 2.93Å
803	I	42.1	Very low	38.4	Very low	99 Å²	99	115 Å²	115	51%	0.508	65%	0.653	S	S	.	*	H	α-helix	trans	-61.9	-40.6	177.7	-65.5	169.3	0	0	0	111.1	E799 R805 L806 I807	E799-I803 PolarHBondContact O-N 3.09Å; I803-R805 VanDerWaalsContact C-N 3.3Å; I803-R805 PolarHBondContact O-N 3.46Å; I803-L806 PolarHBondContact O-N 3.32Å; I803-I807 HydrophobicContact CG2-CD1 4.03Å; I803-I807 PolarHBondContact O-N 2.72Å
804	T	39	Very low	38.1	Very low	77 Å²	77	115.4 Å²	115.4	47%	0.472	66%	0.658	S	S	.	*	H	α-helix	trans	-62	-35.5	179.4	-54.4	0	0	0	0	112.6	S800 K802	S800-T804 PolarHBondContact O-N 3.42Å; S800-T804 VanDerWaalsContact O-N 3.12Å; S800-T804 PolarHBondContact O-OG1 2.8Å; K802-T804 VanDerWaalsContact C-N 3.32Å; K802-T804 PolarHBondContact O-N 3.03Å
805	R	38.3	Very low	37.5	Very low	191 Å²	191	116.8 Å²	116.8	72%	0.721	67%	0.669	S	S	*	*	H	α-helix	trans	-72.1	-39.2	175.8	-69.7	-179.6	-179.2	175.3	1.4	112.6	K802 I803 I807 Q808 E809	K802-R805 PolarHBondContact O-N 3.29Å; I803-R805 VanDerWaalsContact C-N 3.3Å; I803-R805 PolarHBondContact O-N 3.46Å; R805-I807 PolarHBondContact O-N 3.44Å; R805-I807 VanDerWaalsContact O-N 3.12Å; R805-Q808 PolarHBondContact O-N 2.98Å; R805-Q808 VanDerWaalsContact O-N 3.14Å; R805-E809 PolarHBondContact O-N 2.86Å
806	L	38.9	Very low	36.9	Very low	142 Å²	142	116.5 Å²	116.5	74%	0.743	68%	0.682	S	S	*	*	H	α-helix	trans	-64.5	-11.7	177.2	-76.6	165.2	0	0	0	114.5	K802 I803	K802-L806 PolarHBondContact O-N 2.93Å; I803-L806 PolarHBondContact O-N 3.32Å
807	I	42.1	Very low	36.7	Very low	135 Å²	135	120 Å²	120	69%	0.692	69%	0.692	S	S	*	*	H	α-helix	trans	-98.7	-20.2	177.2	-66.5	169.4	0	0	0	112	I803 R805	I803-I807 HydrophobicContact CG2-CD1 4.03Å; I803-I807 PolarHBondContact O-N 2.72Å; R805-I807 PolarHBondContact O-N 3.44Å; R805-I807 VanDerWaalsContact O-N 3.12Å
808	Q	36.3	Very low	36.2	Very low	158 Å²	158	122.6 Å²	122.6	74%	0.738	70%	0.696	S	S	*	*	H	α-helix	trans	-91.6	-26.6	-179	-69.8	-174.4	-36.9	0	0	113.7	R805 G810	R805-Q808 PolarHBondContact O-N 2.98Å; R805-Q808 VanDerWaalsContact O-N 3.14Å; Q808-G810 PolarHBondContact O-N 3.07Å
809	E	34.6	Very low	35.9	Very low	171 Å²	171	122.6 Å²	122.6	80%	0.799	71%	0.706	S	S	*	*	S	Bend	trans	-95.7	87.3	176.2	-69.1	-178	-177.6	0	0	110.9	R805 G811	R805-E809 PolarHBondContact O-N 2.86Å; E809-G811 PolarHBondContact O-N 2.68Å
810	G	34.2	Very low	35.8	Very low	83 Å²	83	123.6 Å²	123.6	86%	0.856	72%	0.722	S	S	*	*			trans	-68.7	127.7	-176.5	0	0	0	0	0	114.1	Q808	Q808-G810 PolarHBondContact O-N 3.07Å
811	G	29	Very low	35.4	Very low	79 Å²	79	127.1 Å²	127.1	81%	0.814	74%	0.741	S	S	*	*			trans	-155.6	104.4	174.9	0	0	0	0	0	112.8	E809	E809-G811 PolarHBondContact O-N 2.68Å
812	G	34.8	Very low	34.9	Very low	72 Å²	72	128.7 Å²	128.7	74%	0.742	76%	0.758	S	S	*	*			trans	-90.4	145.5	174.3	0	0	0	0	0	112.5
813	F	30.3	Very low	34.4	Very low	215 Å²	215	131.6 Å²	131.6	94%	0.943	78%	0.783	S	S	*	*			trans	-147.4	153.7	166.7	-111.9	-77.4	0	0	0	113.5
814	S	33.8	Very low	34.1	Very low	116 Å²	116	137.4 Å²	137.4	81%	0.811	80%	0.798	S	S	*	*			trans	-78.9	137.2	-177.4	-69.1	0	0	0	0	113.5	A816	S814-A816 PolarHBondContact O-N 3.16Å
815	A	28.6	Very low	33.7	Very low	100 Å²	100	144.8 Å²	144.8	83%	0.826	82%	0.818	S	S	*	*			trans	-92.9	84.1	177	0	0	0	0	0	112.9	K817	A815-K817 PolarHBondContact O-N 3.23Å
816	A	28.9	Very low	33.4	Very low	101 Å²	101	147.5 Å²	147.5	84%	0.835	83%	0.828	S	S	*	*			trans	-82.4	107.7	169.9	0	0	0	0	0	111.3	S814	S814-A816 PolarHBondContact O-N 3.16Å
817	K	33	Very low	33	Very low	203 Å²	203	145.6 Å²	145.6	88%	0.883	83%	0.832	S	S	*	*	P	Polyproline II helix	trans	-90	121.9	174.8	-78.5	-174	174.8	178.1	0	112.3	A815	A815-K817 PolarHBondContact O-N 3.23Å
818	K	30.1	Very low	32.4	Very low	202 Å²	202	150.8 Å²	150.8	88%	0.878	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-75.1	144.6	161	-76	179.4	175.6	174.8	0	110.2
819	P	36.3	Very low	32.2	Very low	114 Å²	114	151.1 Å²	151.1	74%	0.74	85%	0.849	S	S	*	*	P	Polyproline II helix	trans	-82.2	158	172.4	34.3	-35	0	0	0	112.3
820	P	36.8	Very low	32	Very low	133 Å²	133	149.4 Å²	149.4	86%	0.864	85%	0.85	S	S	*	*	P	Polyproline II helix	trans	-78.6	157.5	175.9	33.5	-35.8	0	0	0	112.7
821	T	32.5	Very low	31.9	Very low	142 Å²	142	153.6 Å²	153.6	87%	0.871	85%	0.845	S	S	*	*			trans	-112.4	124.3	-175.4	49.4	0	0	0	0	114
822	G	32.6	Very low	32	Very low	73 Å²	73	161.4 Å²	161.4	75%	0.753	85%	0.85	S	S	*	*			trans	117.8	98.8	131.3	0	0	0	0	0	119.8
823	V	29.7	Very low	31.9	Very low	157 Å²	157	165.9 Å²	165.9	95%	0.952	85%	0.851	S	S	*	*			trans	-134.1	156	139.2	-177.2	0	0	0	0	107.9
824	R	35.7	Very low	32	Very low	221 Å²	221	166.4 Å²	166.4	83%	0.834	85%	0.848	S	S	*	*			trans	-113.3	146.7	-162.4	-99.5	177.9	168	176.5	-3	115
825	R	32.2	Very low	32	Very low	232 Å²	232	169.7 Å²	169.7	88%	0.875	85%	0.848	S	S	*	*			trans	68.4	145.8	161.6	-62.8	169.8	169.1	179.4	-5.2	114.9
826	R	31.2	Very low	33.1	Very low	249 Å²	249	170.3 Å²	170.3	94%	0.94	84%	0.844	S	S	*	*			cis	-130.9	173.2	25.3	-70.5	177.6	168.4	-174.8	-4	113.1
827	A	31.2	Very low	34	Very low	101 Å²	101	174 Å²	174	84%	0.835	84%	0.841	S	S	*	*			trans	-104.4	154.7	179	0	0	0	0	0	113.2
828	R	29.5	Very low	34.5	Very low	245 Å²	245	175.3 Å²	175.3	93%	0.925	85%	0.85	S	S	*	*			trans	-151.8	129.8	153.5	-140.4	175.5	-169.4	179.4	3	110.8
829	L	31.6	Very low	34.7	Very low	164 Å²	164	174 Å²	174	86%	0.859	85%	0.849	S	S	*	*			trans	-86.2	136.1	172.6	-86.2	138.1	0	0	0	110.3
830	V	30.9	Very low	34.6	Very low	136 Å²	136	177.2 Å²	177.2	82%	0.824	86%	0.855	S	S	*	*			trans	-140.3	118.8	152.9	-178.6	0	0	0	0	108.4
831	K	32.3	Very low	34.5	Very low	170 Å²	170	179.6 Å²	179.6	74%	0.739	85%	0.854	S	S	*	*			trans	-82	146.1	163.4	-73	-177.3	175.8	-177.3	0	109.1
832	R	29.6	Very low	34.6	Very low	244 Å²	244	181.8 Å²	181.8	92%	0.921	85%	0.853	S	S	*	*			trans	-140.7	122.7	142.5	-106	-179.7	179.2	-177.1	-1.4	109.8
833	H	32.7	Very low	34.7	Very low	166 Å²	166	188.6 Å²	188.6	77%	0.769	86%	0.859	S	S	*	*			trans	-80.7	155.7	161.9	-71.2	-67.9	0	0	0	108.8
834	Y	33.3	Very low	35	Very low	226 Å²	226	190.7 Å²	190.7	89%	0.886	85%	0.853	S	S	*	*			trans	-132.3	133.9	149.6	-149.8	-101.5	0	0	0	109
835	K	33.9	Very low	35	Very low	184 Å²	184	188.6 Å²	188.6	80%	0.8	86%	0.855	S	S	*	*			trans	-118.4	137.7	171.3	-106.5	-166.2	174	-166.7	0	106.2
836	P	50.2	Low	35.2	Very low	114 Å²	114	185.2 Å²	185.2	74%	0.74	85%	0.853	S	S	*	*			trans	-67.5	138.8	151.8	-9.4	26.3	0	0	0	109.5
837	K	49	Very low	35.6	Very low	177 Å²	177	179.9 Å²	179.9	77%	0.77	85%	0.846	S	S	*	*				-86	160.3	129.1	-74.9	171.5	141.3	-126.8	0	106.6
838	E	42.5	Very low	35.9	Very low	232 Å²	232	187.1 Å²	187.1	100%	1.084	85%	0.847	S	S	*	*			cis	-130.6	0	8.9	-141.9	133	-122	0	0	110.5

Retrieved 838 of 838 residues in 146.3 ms (Link to these results)

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